smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC(C)(C)CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000384867221	971963242	/nfs/dbraw/zinc/96/32/42/971963242.db2.gz	PYNUKJKGROHOOC-UHFFFAOYSA-N	-1	0	298.726	3.571	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1	ZINC000158287189	959086836	/nfs/dbraw/zinc/08/68/36/959086836.db2.gz	RGUDJNDWJZTUSZ-JXMROGBWSA-N	-1	0	266.296	3.589	20	30		CHEDRM
COc1ccc(C)cc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000213739425	959723317	/nfs/dbraw/zinc/72/33/17/959723317.db2.gz	MMKYWZZHFRHBNW-TWGQIWQCSA-N	-1	0	296.322	3.598	20	30		CHEDRM
C=C(CC)CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001573326244	962803806	/nfs/dbraw/zinc/80/38/06/962803806.db2.gz	UXKRENRAUMSCIT-UHFFFAOYSA-N	-1	0	298.342	3.626	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001573346790	962942491	/nfs/dbraw/zinc/94/24/91/962942491.db2.gz	GSGNLAGXHNOSGE-MRVPVSSYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC000313304493	963636211	/nfs/dbraw/zinc/63/62/11/963636211.db2.gz	YDCLKDDONLODOG-UHFFFAOYSA-N	-1	0	299.317	3.962	20	30		CHEDRM
C=CCCC1(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC1	ZINC000656487407	975660913	/nfs/dbraw/zinc/66/09/13/975660913.db2.gz	TWSAUQJYTWVQDI-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
CC(CCc1ccco1)N=Nc1ccc(C(=O)[O-])cc1F	ZINC001592552297	978439169	/nfs/dbraw/zinc/43/91/69/978439169.db2.gz	UDRXWQGNRQOOPV-UHFFFAOYSA-N	-1	0	290.294	3.538	20	30		CHEDRM
COc1ccc(C)cc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000765823387	978724070	/nfs/dbraw/zinc/72/40/70/978724070.db2.gz	DKGRDNNJYQHLBY-FPLPWBNLSA-N	-1	0	296.322	3.598	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\CCc3ccc(F)cc3C2=O)c1	ZINC000774133252	978746416	/nfs/dbraw/zinc/74/64/16/978746416.db2.gz	BUHDIMPDDKFBJL-MDWZMJQESA-N	-1	0	296.297	3.736	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cc(F)cc(F)c2)c1	ZINC000774135417	978746424	/nfs/dbraw/zinc/74/64/24/978746424.db2.gz	KCNNCYDUWOQSFY-PLNGDYQASA-N	-1	0	288.249	3.559	20	30		CHEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1F	ZINC000778534537	978782388	/nfs/dbraw/zinc/78/23/88/978782388.db2.gz	TWIIJFRMVRVVAX-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCC[C@@H]1c1ccccn1	ZINC000794887182	978825545	/nfs/dbraw/zinc/82/55/45/978825545.db2.gz	HDSRHMSBLXZXLI-GFCCVEGCSA-N	-1	0	295.342	3.515	20	30		CHEDRM
CC(C)(C)[C@@H]1CCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000807944119	978850706	/nfs/dbraw/zinc/85/07/06/978850706.db2.gz	SBCSRCSLOUQTNS-GFCCVEGCSA-N	-1	0	260.337	3.609	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CC(c3ccccc3)C2)c1	ZINC000814687890	978872700	/nfs/dbraw/zinc/87/27/00/978872700.db2.gz	XNFASIFMCDLETP-UHFFFAOYSA-N	-1	0	280.327	3.730	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814859443	978894077	/nfs/dbraw/zinc/89/40/77/978894077.db2.gz	VDYOQWYNNKIYSG-IHRRRGAJSA-N	-1	0	282.428	3.812	20	30		CHEDRM
CCc1cccc(C)c1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814923298	978898742	/nfs/dbraw/zinc/89/87/42/978898742.db2.gz	ONSDONBSIDEGBW-TZMCWYRMSA-N	-1	0	288.391	3.846	20	30		CHEDRM
CC(=NNCC1(C)CCCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814937835	978899359	/nfs/dbraw/zinc/89/93/59/978899359.db2.gz	QNQXLMAPVMRGTD-ZDUSSCGKSA-N	-1	0	282.428	3.813	20	30		CHEDRM
CC(N=Nc1cccc(Cl)n1)[C@H](C)CCCCC(=O)[O-]	ZINC000814939406	978899602	/nfs/dbraw/zinc/89/96/02/978899602.db2.gz	POZDNYXRWACROW-SNVBAGLBSA-N	-1	0	297.786	3.804	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCCCC3)nc1	ZINC000834966836	979242393	/nfs/dbraw/zinc/24/23/93/979242393.db2.gz	PEENUBWAXGNMMY-UHFFFAOYSA-N	-1	0	287.363	3.682	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)C2CCCCC2)cc1F	ZINC000849243002	979490453	/nfs/dbraw/zinc/49/04/53/979490453.db2.gz	DLRZYPNMJCFVEN-VQHVLOKHSA-N	-1	0	276.307	3.687	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(F)c(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000863179136	979659368	/nfs/dbraw/zinc/65/93/68/979659368.db2.gz	PNXHOIQYUIADHW-RKDXNWHRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CCCC[C@H](S[C@@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001595651243	982019696	/nfs/dbraw/zinc/01/96/96/982019696.db2.gz	DLWKOGDQFOPPHU-FZMZJTMJSA-N	-1	0	277.389	3.996	20	30		CHEDRM
CCCCCCCCC/C=C\C(=O)N1CC(C)(C(=O)[O-])C1	ZINC001595704587	982277290	/nfs/dbraw/zinc/27/72/90/982277290.db2.gz	CCJNKABQGVNETL-QXMHVHEDSA-N	-1	0	295.423	3.616	20	30		CHEDRM
CCCCCCCC(=O)Nc1c(F)ccc(F)c1C(=O)[O-]	ZINC001595704623	982278001	/nfs/dbraw/zinc/27/80/01/982278001.db2.gz	DROKVQJXRSAHQQ-UHFFFAOYSA-N	-1	0	299.317	3.962	20	30		CHEDRM
CCCCCCC[C@H](C)CNc1nccnc1C(=O)[O-]	ZINC001595704815	982279654	/nfs/dbraw/zinc/27/96/54/982279654.db2.gz	HVVSIURAZMPSQO-LBPRGKRZSA-N	-1	0	279.384	3.583	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001595704977	982281890	/nfs/dbraw/zinc/28/18/90/982281890.db2.gz	MIKZCLIPYJPQBM-KKUMJFAQSA-N	-1	0	297.439	3.695	20	30		CHEDRM
CCCCCCCC(=O)Oc1c(OC)cccc1C(=O)[O-]	ZINC001595705130	982282929	/nfs/dbraw/zinc/28/29/29/982282929.db2.gz	PIOWZLAXXMVECD-UHFFFAOYSA-N	-1	0	294.347	3.659	20	30		CHEDRM
CCCCCCCCC/C=C/C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001595705363	982284633	/nfs/dbraw/zinc/28/46/33/982284633.db2.gz	XYDXHZSWDATIHN-NKSUMMKUSA-N	-1	0	295.423	3.616	20	30		CHEDRM
CCCCCCCCC/C=C\C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001595705362	982284775	/nfs/dbraw/zinc/28/47/75/982284775.db2.gz	XYDXHZSWDATIHN-JQPIKURYSA-N	-1	0	295.423	3.616	20	30		CHEDRM
Cc1ccc2c(c1)C/C(=C\c1ccc(C(=O)[O-])cc1)C2=O	ZINC000921263274	982696725	/nfs/dbraw/zinc/69/67/25/982696725.db2.gz	ARGHDGKNRUCTHX-OQLLNIDSSA-N	-1	0	278.307	3.516	20	30		CHEDRM
Cc1ncsc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480328	1118910441	/nfs/dbraw/zinc/91/04/41/1118910441.db2.gz	DIBFQYYXHZOHOY-PLNGDYQASA-N	-1	0	279.748	3.707	20	30		CHEDRM
C=C(C)C[C@@H](Nc1nc2c(cc(C)cc2C)s1)C(=O)[O-]	ZINC001588555157	983633326	/nfs/dbraw/zinc/63/33/26/983633326.db2.gz	ZXMSSWCFYYNFCK-LLVKDONJSA-N	-1	0	290.388	3.744	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001588605823	983694770	/nfs/dbraw/zinc/69/47/70/983694770.db2.gz	PDHCHNYAJNPJRA-UHFFFAOYSA-N	-1	0	281.377	3.604	20	30		CHEDRM
C=C(C)c1cccc(NCc2cc(C(=O)[O-])co2)c1	ZINC001588605894	983695109	/nfs/dbraw/zinc/69/51/09/983695109.db2.gz	QOIWGYWGWCWSMU-UHFFFAOYSA-N	-1	0	257.289	3.623	20	30		CHEDRM
C=C(CC)CS[C@H](Cc1ccc(C)cc1)C(=O)[O-]	ZINC001588607224	983700248	/nfs/dbraw/zinc/70/02/48/983700248.db2.gz	WQJLPGHWPLSORE-CQSZACIVSA-N	-1	0	264.390	3.690	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCCC12CCCCCC2	ZINC001588615517	983712478	/nfs/dbraw/zinc/71/24/78/983712478.db2.gz	XJUGGJBZFQFUDC-UHFFFAOYSA-N	-1	0	293.407	3.513	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC001588692985	983889189	/nfs/dbraw/zinc/88/91/89/983889189.db2.gz	OKJVJUQHFKNWGO-JTQLQIEISA-N	-1	0	281.377	3.604	20	30		CHEDRM
C=C[C@H](Nc1ccc(Oc2ccccc2)cc1OC)C(=O)[O-]	ZINC001588702234	983919484	/nfs/dbraw/zinc/91/94/84/983919484.db2.gz	NTDAGDRNBURXGZ-AWEZNQCLSA-N	-1	0	299.326	3.539	20	30		CHEDRM
C=CCC(CC=C)C(=O)Oc1cc(CC)ccc1C(=O)[O-]	ZINC001588737606	984029920	/nfs/dbraw/zinc/02/99/20/984029920.db2.gz	NHHPZSHIZQSUBW-UHFFFAOYSA-N	-1	0	288.343	3.621	20	30		CHEDRM
C=CC[C@H]1CC[C@H](Nc2ccc(C(=O)[O-])cc2OCC)C1	ZINC001588771457	984140311	/nfs/dbraw/zinc/14/03/11/984140311.db2.gz	VKGMSFLJBIKMPY-JSGCOSHPSA-N	-1	0	289.375	3.940	20	30		CHEDRM
CCCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000049054868	1125491483	/nfs/dbraw/zinc/49/14/83/1125491483.db2.gz	JEODTQSUJCDNEX-CQSZACIVSA-N	-1	0	284.384	3.894	20	30		CHEDRM
Cc1ccsc1C(C)N=Nc1cccc(F)c1C(=O)[O-]	ZINC001589017590	985005159	/nfs/dbraw/zinc/00/51/59/985005159.db2.gz	VVTUAHMXOFFGQJ-UHFFFAOYSA-N	-1	0	292.335	3.730	20	30		CHEDRM
CC(C)[C@@H]1c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])[nH]1	ZINC001591068294	991525532	/nfs/dbraw/zinc/52/55/32/991525532.db2.gz	YGCZFWVDFLRWDQ-SCZPIIQISA-N	-1	0	295.338	3.732	20	30		CHEDRM
CC(C)C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC001591191394	992002341	/nfs/dbraw/zinc/00/23/41/992002341.db2.gz	ZCBLZICPVRTGFB-LBPRGKRZSA-N	-1	0	283.780	3.803	20	30		CHEDRM
C[C@H](Sc1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1	ZINC001593678268	996090621	/nfs/dbraw/zinc/09/06/21/996090621.db2.gz	HYIFJGIFSSHNMW-QMMMGPOBSA-N	-1	0	290.369	3.566	20	30		CHEDRM
C[C@@]1(CN=Nc2ccc(C(=O)[O-])c(Cl)c2)CCCS1	ZINC001593996551	997308905	/nfs/dbraw/zinc/30/89/05/997308905.db2.gz	YQLFZNIPGBMNMK-ZDUSSCGKSA-N	-1	0	298.795	3.722	20	30		CHEDRM
Cc1nc(O[C@H](C)C2=CC=C[CH]2)c(C#N)c(C)c1Cl	ZINC001227828387	1131747601	/nfs/dbraw/zinc/74/76/01/1131747601.db2.gz	PWYNZNUVGBZRBR-LLVKDONJSA-N	-1	0	273.743	3.691	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc[n-]c(=O)c1Cl	ZINC001230019132	1132145445	/nfs/dbraw/zinc/14/54/45/1132145445.db2.gz	XZKAERCUAKNYJU-OUAUKWLOSA-N	-1	0	282.771	3.595	20	30		CHEDRM
Cc1cc(Nc2ccc(Cl)c([O-])c2F)cnc1C#N	ZINC001214797924	1134573613	/nfs/dbraw/zinc/57/36/13/1134573613.db2.gz	JYKGDOMFXMYCCV-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
CSc1cccc(F)c1Nc1scc([O-])c1C#N	ZINC001215822970	1134694546	/nfs/dbraw/zinc/69/45/46/1134694546.db2.gz	JJPNJJVKCSNTKM-UHFFFAOYSA-N	-1	0	280.349	3.930	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)o1	ZINC000073977303	1125639723	/nfs/dbraw/zinc/63/97/23/1125639723.db2.gz	FRYJJIJKGQXZKA-LBPRGKRZSA-N	-1	0	280.283	3.528	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(Cl)nc(Cl)c1	ZINC001212092033	1125725624	/nfs/dbraw/zinc/72/56/24/1125725624.db2.gz	FDFDJBAJVBBWFR-UHFFFAOYSA-N	-1	0	286.143	3.771	20	30		CHEDRM
O=C(/C=C\c1cccc(F)c1F)c1ccccc1[O-]	ZINC000757476638	1125774093	/nfs/dbraw/zinc/77/40/93/1125774093.db2.gz	XSFPAOYLNQHCSP-HJWRWDBZSA-N	-1	0	260.239	3.567	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000907597442	1126981423	/nfs/dbraw/zinc/98/14/23/1126981423.db2.gz	RMPSYTLKUHYJTL-LBPRGKRZSA-N	-1	0	289.375	3.590	20	30		CHEDRM
N#CC(=C([O-])C=Cc1cccs1)c1nc2ccccc2o1	ZINC000054735033	1127138607	/nfs/dbraw/zinc/13/86/07/1127138607.db2.gz	ILDYJBDNNWGLKF-GUOLPTJISA-N	-1	0	294.335	3.779	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286588985	1127269419	/nfs/dbraw/zinc/26/94/19/1127269419.db2.gz	AMDOWRGTOCQAEM-QMMMGPOBSA-N	-1	0	271.719	3.726	20	30		CHEDRM
C[C@@H]1COCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000760989195	1127356751	/nfs/dbraw/zinc/35/67/51/1127356751.db2.gz	AHZIBDFTZQOCPX-BWDQYRESSA-N	-1	0	288.174	3.543	20	30		CHEDRM
N#CCCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000594333873	1127414043	/nfs/dbraw/zinc/41/40/43/1127414043.db2.gz	WPWPCWADFXCBKJ-UHFFFAOYSA-N	-1	0	287.146	3.721	20	30		CHEDRM
CC(C)(C)c1[n-]n(CC2(C)CCC2)c(=O)c1CCC#N	ZINC000596260054	1127488489	/nfs/dbraw/zinc/48/84/89/1127488489.db2.gz	GOKOPOKTJCNHPF-UHFFFAOYSA-N	-1	0	275.396	3.533	20	30		CHEDRM
Cc1[n-]n(-c2cccc(Cl)c2Cl)c(=O)c1CCC#N	ZINC000601935733	1127553636	/nfs/dbraw/zinc/55/36/36/1127553636.db2.gz	XBQGXFKLCNGPKN-VIFPVBQESA-N	-1	0	296.157	3.636	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)co1	ZINC000361522487	1127569117	/nfs/dbraw/zinc/56/91/17/1127569117.db2.gz	ATBZXSWFHZZTCJ-OAHLLOKOSA-N	-1	0	276.295	3.626	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)C(C)C	ZINC000172018984	1127741855	/nfs/dbraw/zinc/74/18/55/1127741855.db2.gz	WUBZSLYQZHEWIH-SMDDNHRTSA-N	-1	0	296.370	3.660	20	30		CHEDRM
C#CCCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000230871816	1127784860	/nfs/dbraw/zinc/78/48/60/1127784860.db2.gz	MPXDNPUSKBAZAG-UHFFFAOYSA-N	-1	0	286.158	3.831	20	30		CHEDRM
Cc1noc(C)c1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000063427681	1127829659	/nfs/dbraw/zinc/82/96/59/1127829659.db2.gz	JGORXPGATYDPHK-FZSIALSZSA-N	-1	0	299.157	3.923	20	30		CHEDRM
CCn1nccc1/C=C/C(=O)c1ccc2ccccc2c1[O-]	ZINC000152668067	1128145022	/nfs/dbraw/zinc/14/50/22/1128145022.db2.gz	WAIWXAQVEXPVPP-CSKARUKUSA-N	-1	0	292.338	3.658	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]3CCCC[C@H]3C2)nc1	ZINC000763367837	1128416289	/nfs/dbraw/zinc/41/62/89/1128416289.db2.gz	GGCDUFRVALCBSX-NEPJUHHUSA-N	-1	0	287.363	3.538	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)oc1C	ZINC000562317927	1128394423	/nfs/dbraw/zinc/39/44/23/1128394423.db2.gz	KFPFYWQXQHNKIW-OAHLLOKOSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1cccc(CCC(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763369161	1128417158	/nfs/dbraw/zinc/41/71/58/1128417158.db2.gz	RJCJTRTYRXTFKR-UHFFFAOYSA-N	-1	0	297.358	3.509	20	30		CHEDRM
CCC(C[C@H](C)CC)N=Nc1ccccc1C(=O)[O-]	ZINC000915955496	1128396672	/nfs/dbraw/zinc/39/66/72/1128396672.db2.gz	FLGMXDPDZOEMPK-LLVKDONJSA-N	-1	0	262.353	3.999	20	30		CHEDRM
CCOc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc1	ZINC000915988963	1128401696	/nfs/dbraw/zinc/40/16/96/1128401696.db2.gz	QDVJOWLZAQUEFC-SXGWCWSVSA-N	-1	0	296.322	3.716	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(F)cc1F)O2	ZINC000915988748	1128401938	/nfs/dbraw/zinc/40/19/38/1128401938.db2.gz	FNLCTOSLXDDAIQ-RZNTYIFUSA-N	-1	0	288.249	3.595	20	30		CHEDRM
O=C([O-])c1cccc(NN=C2CCCCc3ccccc32)c1	ZINC000916255281	1128412079	/nfs/dbraw/zinc/41/20/79/1128412079.db2.gz	OJGAFJWAFWBSFG-UHFFFAOYSA-N	-1	0	294.354	3.927	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000916240922	1128412145	/nfs/dbraw/zinc/41/21/45/1128412145.db2.gz	WGSQMAGBRAYIDQ-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
CC[C@@H](C)C(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916259267	1128412241	/nfs/dbraw/zinc/41/22/41/1128412241.db2.gz	ABSUQWSLDYGXLJ-MRVPVSSYSA-N	-1	0	268.744	3.872	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)c1cccc(Cl)c1[O-]	ZINC001127429016	1128497067	/nfs/dbraw/zinc/49/70/67/1128497067.db2.gz	AMXBBZAEWGMTKL-SNVBAGLBSA-N	-1	0	267.756	3.520	20	30		CHEDRM
CCC(=NNc1ccccc1C(=O)[O-])c1ccccc1F	ZINC000778541017	1128546697	/nfs/dbraw/zinc/54/66/97/1128546697.db2.gz	VVVFRHWFLMIAHY-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
CC(C)Oc1ccc(CC#N)cc1-c1cccc(C(=O)[O-])c1	ZINC000567977859	1128576288	/nfs/dbraw/zinc/57/62/88/1128576288.db2.gz	OMQJJEFCHMYBSY-UHFFFAOYSA-N	-1	0	295.338	3.905	20	30		CHEDRM
CC(C)Oc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000921254475	1128704004	/nfs/dbraw/zinc/70/40/04/1128704004.db2.gz	WNJRVJLVIRZWMN-UHFFFAOYSA-N	-1	0	298.342	3.618	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccccc1	ZINC000175314712	1128723685	/nfs/dbraw/zinc/72/36/85/1128723685.db2.gz	WFDXQPAHKOFHSV-VOTSOKGWSA-N	-1	0	260.239	3.567	20	30		CHEDRM
N#Cc1cnc(-c2cc(F)c([O-])cc2F)c2ccccc12	ZINC001206755364	1117761125	/nfs/dbraw/zinc/76/11/25/1117761125.db2.gz	JYTOCDSRBMRFPJ-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)cc1	ZINC000073087220	1117879930	/nfs/dbraw/zinc/87/99/30/1117879930.db2.gz	KNPFPFMNQTWURA-GFCCVEGCSA-N	-1	0	297.420	3.576	20	30		CHEDRM
O=C(/C=C/c1ccccc1Cl)c1ccc(O)cc1[O-]	ZINC000073239842	1117952777	/nfs/dbraw/zinc/95/27/77/1117952777.db2.gz	HUJPOSGMEWSBGX-VMPITWQZSA-N	-1	0	274.703	3.647	20	30		CHEDRM
CCON=C(C)c1cc(Br)cc(Cl)c1[O-]	ZINC000764677447	1118106521	/nfs/dbraw/zinc/10/65/21/1118106521.db2.gz	YRJSNHXFRPPARR-UHFFFAOYSA-N	-1	0	292.560	3.569	20	30		CHEDRM
Cc1cc(Nc2c([S-])cccc2Cl)cnc1C#N	ZINC001210206745	1118199855	/nfs/dbraw/zinc/19/98/55/1118199855.db2.gz	AVXVNJQABZIYIY-UHFFFAOYSA-N	-1	0	275.764	3.947	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1	ZINC000671752186	1118342621	/nfs/dbraw/zinc/34/26/21/1118342621.db2.gz	HAWQOGVLTQXFLS-NSHDSACASA-N	-1	0	282.324	3.688	20	30		CHEDRM
COc1cc(C#N)ccc1Nc1cccc([S-])c1	ZINC001210947537	1118429337	/nfs/dbraw/zinc/42/93/37/1118429337.db2.gz	QUFXHSIBZUQAOC-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1cncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1	ZINC000430597848	1118586888	/nfs/dbraw/zinc/58/68/88/1118586888.db2.gz	BCOISMFVHVVFQZ-GFCCVEGCSA-N	-1	0	299.399	3.634	20	30		CHEDRM
O=C([O-])c1ccc(N=NCC2CCCCC2)c(F)c1	ZINC000835012689	1118772662	/nfs/dbraw/zinc/77/26/62/1118772662.db2.gz	RZECMGSPTWSJEC-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000022728964	1118822192	/nfs/dbraw/zinc/82/21/92/1118822192.db2.gz	CUMCITJWYUVEII-PBSOMRJOSA-N	-1	0	284.315	3.523	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1	ZINC000255414164	1118862041	/nfs/dbraw/zinc/86/20/41/1118862041.db2.gz	JBBKLFWSKWSVLS-CFHLNLSMSA-N	-1	0	297.383	3.551	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)cn2C(C)(C)C)cc(C(=O)[O-])c1	ZINC001211535282	1118937261	/nfs/dbraw/zinc/93/72/61/1118937261.db2.gz	XOSYHFDANINYCI-UHFFFAOYSA-N	-1	0	297.358	3.865	20	30		CHEDRM
C=CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000728438179	1118944937	/nfs/dbraw/zinc/94/49/37/1118944937.db2.gz	BOEBXVHFTDCVCM-VURMDHGXSA-N	-1	0	298.313	3.992	20	30		CHEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CC1CCCCC1	ZINC000046928073	1119075517	/nfs/dbraw/zinc/07/55/17/1119075517.db2.gz	LGFOOCLVYMMLTF-UHFFFAOYSA-N	-1	0	295.404	3.611	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)c(C)c2)cc(C(=O)[O-])c1	ZINC001211547678	1119104333	/nfs/dbraw/zinc/10/43/33/1119104333.db2.gz	VVPVTEIXZWWFPZ-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cn1ccc2cccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c21	ZINC000588564448	1119274015	/nfs/dbraw/zinc/27/40/15/1119274015.db2.gz	KWUGGJODRNZMEU-UHFFFAOYSA-N	-1	0	295.298	3.543	20	30		CHEDRM
Cc1ccc(Nc2c(Cl)cccc2C#N)cc1C(=O)[O-]	ZINC001211604059	1119441143	/nfs/dbraw/zinc/44/11/43/1119441143.db2.gz	LQNHAZWUPGNYBY-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)CC/C=C/c2ccccc2)c1	ZINC000176820630	1119496648	/nfs/dbraw/zinc/49/66/48/1119496648.db2.gz	VSNLQBJZKPLGHP-XBXARRHUSA-N	-1	0	292.338	3.696	20	30		CHEDRM
N#CC(=C([O-])c1occ2c1CCC2)c1nc(C2CC2)cs1	ZINC000647379694	1119712575	/nfs/dbraw/zinc/71/25/75/1119712575.db2.gz	FCOLNQBRGPVUPY-GFCCVEGCSA-N	-1	0	298.367	3.592	20	30		CHEDRM
C=C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179733421	1119758724	/nfs/dbraw/zinc/75/87/24/1119758724.db2.gz	LVPDUANUVOYUQI-AWEZNQCLSA-N	-1	0	292.338	3.562	20	30		CHEDRM
O=C1c2cc(F)ccc2C/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000255897893	1119956221	/nfs/dbraw/zinc/95/62/21/1119956221.db2.gz	XFWKLSFFRSPTEY-XCVCLJGOSA-N	-1	0	290.240	3.632	20	30		CHEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C	ZINC000069603732	1128887174	/nfs/dbraw/zinc/88/71/74/1128887174.db2.gz	OIMCHEAGAAVDET-UHFFFAOYSA-N	-1	0	295.404	3.532	20	30		CHEDRM
Cc1cc(C)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545781	1120283703	/nfs/dbraw/zinc/28/37/03/1120283703.db2.gz	MSXCVYGGMBLOAS-CQSZACIVSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1cc(Nc2ccc(F)c(C#N)c2F)ccc1C(=O)[O-]	ZINC001211658290	1120626994	/nfs/dbraw/zinc/62/69/94/1120626994.db2.gz	IIBSHJYSYKOWCJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1ccc2ccccc2n1	ZINC000047375632	1120648561	/nfs/dbraw/zinc/64/85/61/1120648561.db2.gz	OVEYJHBQYMXZRO-MRXNPFEDSA-N	-1	0	297.317	3.597	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000107980953	1120666520	/nfs/dbraw/zinc/66/65/20/1120666520.db2.gz	BSLRAXYXGADQNG-WDZFZDKYSA-N	-1	0	266.296	3.589	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212512333	1120702737	/nfs/dbraw/zinc/70/27/37/1120702737.db2.gz	HVDSOWILAXQEET-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCOc1ccccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000215751069	1120956291	/nfs/dbraw/zinc/95/62/91/1120956291.db2.gz	SKKGIEHYQMPGHY-QXMHVHEDSA-N	-1	0	268.312	3.687	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])s2)c1C#N	ZINC001174812989	1121058222	/nfs/dbraw/zinc/05/82/22/1121058222.db2.gz	RCJVVSQANIUUTA-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
N#C[C@H]1CC[C@H](Nc2ccc3oc(=S)[n-]c3c2)CC1	ZINC001167844336	1121075782	/nfs/dbraw/zinc/07/57/82/1121075782.db2.gz	DCNADLXNYFJPOO-MGCOHNPYSA-N	-1	0	273.361	3.611	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174947852	1121108258	/nfs/dbraw/zinc/10/82/58/1121108258.db2.gz	RDZRMMLEYADGLF-UHFFFAOYSA-N	-1	0	292.294	3.675	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC001174953394	1121109346	/nfs/dbraw/zinc/10/93/46/1121109346.db2.gz	BXZCZSLKEDSODI-UHFFFAOYSA-N	-1	0	294.354	3.858	20	30		CHEDRM
CCOc1cc(F)c(Nc2scc([O-])c2C#N)cc1F	ZINC001175054172	1121162488	/nfs/dbraw/zinc/16/24/88/1121162488.db2.gz	APZIADGJHONJBM-UHFFFAOYSA-N	-1	0	296.298	3.746	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(F)c(C(=O)[O-])c2)s1	ZINC001175216082	1121228237	/nfs/dbraw/zinc/22/82/37/1121228237.db2.gz	XREFBKKNPBHQOR-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001175220655	1121228301	/nfs/dbraw/zinc/22/83/01/1121228301.db2.gz	VMCHNOKGNZKYGD-SNVBAGLBSA-N	-1	0	284.290	3.895	20	30		CHEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)c(C)c1	ZINC001175242858	1121241767	/nfs/dbraw/zinc/24/17/67/1121241767.db2.gz	KRTXMQPWWZYIMQ-UHFFFAOYSA-N	-1	0	274.345	3.776	20	30		CHEDRM
CCOc1cc(F)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001175290556	1121256943	/nfs/dbraw/zinc/25/69/43/1121256943.db2.gz	INZVFMHFBOSNNC-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC001175319762	1121282331	/nfs/dbraw/zinc/28/23/31/1121282331.db2.gz	DLODVNKELICDHS-UHFFFAOYSA-N	-1	0	271.703	3.763	20	30		CHEDRM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CC(C)C)c1C	ZINC000069603693	1121322056	/nfs/dbraw/zinc/32/20/56/1121322056.db2.gz	IZGYQTUXEHFNBE-UHFFFAOYSA-N	-1	0	297.420	3.612	20	30		CHEDRM
COc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1Cl	ZINC001175900220	1121493470	/nfs/dbraw/zinc/49/34/70/1121493470.db2.gz	PTCLVKYGPIVPNH-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1C	ZINC000751205311	1121507498	/nfs/dbraw/zinc/50/74/98/1121507498.db2.gz	ACWYNXMHOBZRPB-YVMONPNESA-N	-1	0	297.310	3.813	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nc2ccccc2o1	ZINC000073977128	1121603016	/nfs/dbraw/zinc/60/30/16/1121603016.db2.gz	FJGPMGXDQVXRRJ-MRVPVSSYSA-N	-1	0	286.674	3.564	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2csc(C(=O)[O-])c2)c1	ZINC001176439367	1121622827	/nfs/dbraw/zinc/62/28/27/1121622827.db2.gz	SUQLRRVLPSJOTM-UHFFFAOYSA-N	-1	0	286.356	3.991	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1csc(C(=O)[O-])c1	ZINC001176441137	1121623419	/nfs/dbraw/zinc/62/34/19/1121623419.db2.gz	QTZPCMHZZGQIGD-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CC1CCCCCC1	ZINC000079153377	1128999630	/nfs/dbraw/zinc/99/96/30/1128999630.db2.gz	KMYMFLKQVCKTFJ-UHFFFAOYSA-N	-1	0	289.441	3.822	20	30		CHEDRM
C#Cc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176586758	1121647516	/nfs/dbraw/zinc/64/75/16/1121647516.db2.gz	LDUPPVYGUJUQQS-UHFFFAOYSA-N	-1	0	277.323	3.528	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F	ZINC001176588094	1121649185	/nfs/dbraw/zinc/64/91/85/1121649185.db2.gz	HUMHPKZWRZHHTI-UHFFFAOYSA-N	-1	0	295.313	3.667	20	30		CHEDRM
N#Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1F	ZINC001176592648	1121650462	/nfs/dbraw/zinc/65/04/62/1121650462.db2.gz	LQIANUGPUGPMIY-FPYGCLRLSA-N	-1	0	282.274	3.539	20	30		CHEDRM
Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001176672524	1121673370	/nfs/dbraw/zinc/67/33/70/1121673370.db2.gz	ZKAOIYBRXGXLIQ-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176674126	1121673513	/nfs/dbraw/zinc/67/35/13/1121673513.db2.gz	QUTPASMPZDLMPW-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
CC(C)CC[C@@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000727255641	1121707531	/nfs/dbraw/zinc/70/75/31/1121707531.db2.gz	LEOHAKBXLVADNE-JTQLQIEISA-N	-1	0	296.802	3.840	20	30		CHEDRM
Cc1ccccc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000730148920	1121794608	/nfs/dbraw/zinc/79/46/08/1121794608.db2.gz	PTAAVYMCJHBDKX-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
CC[C@@H](C)NC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953066	1121837857	/nfs/dbraw/zinc/83/78/57/1121837857.db2.gz	LYZQCIVDINGKIE-LLVKDONJSA-N	-1	0	293.461	3.777	20	30		CHEDRM
Cc1ccccc1C(N=Nc1ccccc1C(=O)[O-])C1CC1	ZINC000731924564	1121894688	/nfs/dbraw/zinc/89/46/88/1121894688.db2.gz	FPJLHRNXFRHSKV-UHFFFAOYSA-N	-1	0	294.354	3.919	20	30		CHEDRM
CCOc1ccc(NN=C(C)c2sccc2[O-])cc1	ZINC000814984794	1121904662	/nfs/dbraw/zinc/90/46/62/1121904662.db2.gz	URUVSXKGDBAWQH-UHFFFAOYSA-N	-1	0	276.361	3.689	20	30		CHEDRM
CCCCCCCCCNC(=O)c1c(F)ccc(O)c1O	ZINC001182267191	1122128719	/nfs/dbraw/zinc/12/87/19/1122128719.db2.gz	CPGIVXJTAIFNEJ-UHFFFAOYSA-N	-1	0	297.370	3.717	20	30		CHEDRM
CC1(C)c2ccccc2C(=O)/C1=C\c1cccc(C(=O)[O-])c1	ZINC000774127445	1122131509	/nfs/dbraw/zinc/13/15/09/1122131509.db2.gz	VLOQVEUXCKNKPW-LFIBNONCSA-N	-1	0	292.334	3.942	20	30		CHEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000620305583	1129050378	/nfs/dbraw/zinc/05/03/78/1129050378.db2.gz	MTOMGIJPFGQSTR-PHIMTYICSA-N	-1	0	295.741	3.508	20	30		CHEDRM
CCc1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000434559149	1122379062	/nfs/dbraw/zinc/37/90/62/1122379062.db2.gz	NCQZYMKRLORXQK-CYBMUJFWSA-N	-1	0	299.399	3.714	20	30		CHEDRM
N#Cc1cccc(C([O-])=Cc2c(F)cc(F)c(F)c2F)c1	ZINC001250289330	1122475038	/nfs/dbraw/zinc/47/50/38/1122475038.db2.gz	MPVJVSQDTAGPTR-UHFFFAOYSA-N	-1	0	293.219	3.540	20	30		CHEDRM
CCCCCCCOC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001194008963	1122737836	/nfs/dbraw/zinc/73/78/36/1122737836.db2.gz	JXQBQOWVGDUFPL-UHFFFAOYSA-N	-1	0	294.326	3.922	20	30		CHEDRM
N#Cc1ccc([O-])c(-c2nc3cc(F)c(Cl)cc3[nH]2)c1	ZINC001251180235	1122952172	/nfs/dbraw/zinc/95/21/72/1122952172.db2.gz	KDNWQIMVCICKDN-UHFFFAOYSA-N	-1	0	287.681	3.600	20	30		CHEDRM
Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000007333313	1123249267	/nfs/dbraw/zinc/24/92/67/1123249267.db2.gz	PRIIMVFIAMDWOA-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
C=CC[C@@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000853370127	1123437096	/nfs/dbraw/zinc/43/70/96/1123437096.db2.gz	DHRHZZSOZIHFIA-CQSZACIVSA-N	-1	0	286.375	3.848	20	30		CHEDRM
C=CCCCN(C)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000081421757	1129135245	/nfs/dbraw/zinc/13/52/45/1129135245.db2.gz	QFIRLMJOUZBOTK-UHFFFAOYSA-N	-1	0	276.361	3.529	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCCC2)n1	ZINC000118141032	1123774303	/nfs/dbraw/zinc/77/43/03/1123774303.db2.gz	MTYCSUMKGLMSFU-SBDDDAINSA-N	-1	0	274.389	3.764	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccc(C(F)F)cc2)cc1	ZINC000794449516	1123833175	/nfs/dbraw/zinc/83/31/75/1123833175.db2.gz	XKXFSJZYGHPRBC-UHFFFAOYSA-N	-1	0	290.269	3.768	20	30		CHEDRM
CC(CC1CC1)N=Nc1nc2ccccc2[nH]c1=S	ZINC000863128225	1123847252	/nfs/dbraw/zinc/84/72/52/1123847252.db2.gz	IHOXZRWQKVTJMC-UHFFFAOYSA-N	-1	0	272.377	3.880	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(F)c1Cl	ZINC000863158737	1123848040	/nfs/dbraw/zinc/84/80/40/1123848040.db2.gz	OFDPFHKSPWUOBP-UHFFFAOYSA-N	-1	0	298.745	3.912	20	30		CHEDRM
O=C(/C=C/c1ccc2occc2c1)c1ccc(O)cc1[O-]	ZINC000794701462	1123936894	/nfs/dbraw/zinc/93/68/94/1123936894.db2.gz	LQYPKRDVRKDCDB-ORCRQEGFSA-N	-1	0	280.279	3.740	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C1/Cc2ccccc2C1=O	ZINC000794927471	1124073959	/nfs/dbraw/zinc/07/39/59/1124073959.db2.gz	QVGZZXQSMTWPMY-DHDCSXOGSA-N	-1	0	292.334	3.824	20	30		CHEDRM
Cc1cc(F)cc(-c2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001239256711	1131308083	/nfs/dbraw/zinc/30/80/83/1131308083.db2.gz	NKDYSBMHFLFQCW-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
COc1ccc(Nc2ccccc2[S-])c(C#N)c1	ZINC001212782502	1125161146	/nfs/dbraw/zinc/16/11/46/1125161146.db2.gz	AFBDUIMPBVVHBJ-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
CSc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000122335619	1125186613	/nfs/dbraw/zinc/18/66/13/1125186613.db2.gz	SSFNKNXJQOKJHK-LBPRGKRZSA-N	-1	0	288.397	3.664	20	30		CHEDRM
O=C(/C=C\c1cc(-n2ccnc2)cs1)c1ccccc1[O-]	ZINC000783710347	1125285931	/nfs/dbraw/zinc/28/59/31/1125285931.db2.gz	GEYRRMJYEXUTGG-WAYWQWQTSA-N	-1	0	296.351	3.536	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000188781880	1125308504	/nfs/dbraw/zinc/30/85/04/1125308504.db2.gz	CMLCPONQVIMCLJ-AWEZNQCLSA-N	-1	0	276.361	3.657	20	30		CHEDRM
O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1[O-]	ZINC000027517972	1125402986	/nfs/dbraw/zinc/40/29/86/1125402986.db2.gz	AQASVHPTJNWRJB-FPYGCLRLSA-N	-1	0	274.703	3.647	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2cccc(C)c2C)n1	ZINC000041520000	1125433468	/nfs/dbraw/zinc/43/34/68/1125433468.db2.gz	LUABCEJMFCLHFC-ZDUSSCGKSA-N	-1	0	270.357	3.558	20	30		CHEDRM
Cc1cc(/C=C2/Cc3cc(O)ccc3C2=O)cc(C)c1O	ZINC000187222658	1129281678	/nfs/dbraw/zinc/28/16/78/1129281678.db2.gz	SQQFRLNLPOGZKB-AUWJEWJLSA-N	-1	0	280.323	3.537	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000734305612	1129300980	/nfs/dbraw/zinc/30/09/80/1129300980.db2.gz	XRWOVVUROWMQSK-SOFGYWHQSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000735203734	1129334641	/nfs/dbraw/zinc/33/46/41/1129334641.db2.gz	LXUNGSKTQIIJIO-XTXQVDMPSA-N	-1	0	294.354	3.724	20	30		CHEDRM
CC(CCC1CCCC1)=NNc1cnnc([O-])c1Cl	ZINC000740760412	1129417485	/nfs/dbraw/zinc/41/74/85/1129417485.db2.gz	CKLODIIMKOUVAT-UHFFFAOYSA-N	-1	0	282.775	3.594	20	30		CHEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1	ZINC000741466476	1129436915	/nfs/dbraw/zinc/43/69/15/1129436915.db2.gz	SRXSBSNFVLSHLD-OKHBPPCESA-N	-1	0	276.336	3.688	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccccc1	ZINC000746367916	1129651281	/nfs/dbraw/zinc/65/12/81/1129651281.db2.gz	RQXRZTDZMKRLJL-GFCCVEGCSA-N	-1	0	282.343	3.976	20	30		CHEDRM
CSc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254873556	1129715416	/nfs/dbraw/zinc/71/54/16/1129715416.db2.gz	CAOTVJMYXLFNCO-UHFFFAOYSA-N	-1	0	288.328	3.773	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2c(F)cccc2F)c1	ZINC001239575249	1131393765	/nfs/dbraw/zinc/39/37/65/1131393765.db2.gz	AYVSYOYNNSCNHN-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1ccc(Cl)c([O-])c1	ZINC001212592243	1129742047	/nfs/dbraw/zinc/74/20/47/1129742047.db2.gz	GISMTGZBAORMMS-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212593104	1129743461	/nfs/dbraw/zinc/74/34/61/1129743461.db2.gz	CWCORRWDLZTGNB-UHFFFAOYSA-N	-1	0	283.718	3.841	20	30		CHEDRM
Cc1[nH]c(C=NNc2ccc(C(C)(C)C)cc2)cc1C(=O)[O-]	ZINC000800815603	1129890772	/nfs/dbraw/zinc/89/07/72/1129890772.db2.gz	HCYMTOPCJSUXAG-UHFFFAOYSA-N	-1	0	299.374	3.765	20	30		CHEDRM
CC(=NNc1cc([N+](=O)[O-])ccc1C)c1sccc1[O-]	ZINC000769781165	1129924825	/nfs/dbraw/zinc/92/48/25/1129924825.db2.gz	WKBLYFNFHJSDLX-UHFFFAOYSA-N	-1	0	291.332	3.506	20	30		CHEDRM
Cc1cccc(F)c1NN=Cc1cc(F)c([O-])c(F)c1	ZINC000769841013	1129928235	/nfs/dbraw/zinc/92/82/35/1129928235.db2.gz	RHIJBDGLNOZJOP-UHFFFAOYSA-N	-1	0	280.249	3.564	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc[nH]2)s1	ZINC000802249613	1129986010	/nfs/dbraw/zinc/98/60/10/1129986010.db2.gz	CJLIFQWHBFIBQR-DGMVEKRQSA-N	-1	0	299.399	3.658	20	30		CHEDRM
CCOc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000771744406	1129988379	/nfs/dbraw/zinc/98/83/79/1129988379.db2.gz	KXEXVQKTHQRFQA-VOTSOKGWSA-N	-1	0	274.341	3.749	20	30		CHEDRM
CCOc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000771745993	1129988777	/nfs/dbraw/zinc/98/87/77/1129988777.db2.gz	VKZTVEVJKGSECL-YVMONPNESA-N	-1	0	274.341	3.749	20	30		CHEDRM
O=C(/C=C/c1cscc1Cl)c1ccc(O)cc1[O-]	ZINC000771858719	1129994494	/nfs/dbraw/zinc/99/44/94/1129994494.db2.gz	KOBXYRGTSNRHQZ-DAFODLJHSA-N	-1	0	280.732	3.709	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1	ZINC000802703720	1130031108	/nfs/dbraw/zinc/03/11/08/1130031108.db2.gz	JKSRAQMPWSXDPU-IRXDYDNUSA-N	-1	0	294.354	3.976	20	30		CHEDRM
N#Cc1ccc(CNc2ccc3oc(=S)[n-]c3c2)cc1F	ZINC001170094645	1130223700	/nfs/dbraw/zinc/22/37/00/1130223700.db2.gz	VKIVTIFQXSBTMU-UHFFFAOYSA-N	-1	0	299.330	3.739	20	30		CHEDRM
CC(C)N(C)c1ccc(/C=C/C(=O)c2ccccc2[O-])cn1	ZINC000790222813	1130301849	/nfs/dbraw/zinc/30/18/49/1130301849.db2.gz	XAOGGBJBKGCEAU-CSKARUKUSA-N	-1	0	296.370	3.528	20	30		CHEDRM
N#CCc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001240548158	1130351667	/nfs/dbraw/zinc/35/16/67/1130351667.db2.gz	IUVTYDTYHCCZIX-RMKNXTFCSA-N	-1	0	263.296	3.517	20	30		CHEDRM
COc1cc(-c2ccc(C3(C#N)CC3)cc2)ccc1C(=O)[O-]	ZINC001240743175	1130450505	/nfs/dbraw/zinc/45/05/05/1130450505.db2.gz	GYEXSXZRFUMJDM-UHFFFAOYSA-N	-1	0	293.322	3.616	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)c([O-])c1	ZINC000772799312	1130456111	/nfs/dbraw/zinc/45/61/11/1130456111.db2.gz	BBXQKMUJQQYREF-FNORWQNLSA-N	-1	0	281.286	3.608	20	30		CHEDRM
Fc1ccc([S-])c(NCC#Cc2ccccc2)c1	ZINC001170429861	1130542454	/nfs/dbraw/zinc/54/24/54/1130542454.db2.gz	OUAMUDGVMFRWON-UHFFFAOYSA-N	-1	0	257.333	3.578	20	30		CHEDRM
N#Cc1ccc(-c2ccccc2)nc1-c1ccccc1[O-]	ZINC001241002310	1130559450	/nfs/dbraw/zinc/55/94/50/1130559450.db2.gz	ZGGXFMMVTFUQLL-UHFFFAOYSA-N	-1	0	272.307	3.993	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CS)cc1	ZINC001241003503	1130560304	/nfs/dbraw/zinc/56/03/04/1130560304.db2.gz	QKMCMOOJXMGZPI-UHFFFAOYSA-N	-1	0	258.342	3.790	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc2[nH]cc(CC#N)c21	ZINC001241002750	1130560777	/nfs/dbraw/zinc/56/07/77/1130560777.db2.gz	MURSLPRYIZCOIM-UHFFFAOYSA-N	-1	0	290.322	3.908	20	30		CHEDRM
C#CC[C@H](CC)Oc1ccc2[n-]c(=S)sc2c1	ZINC001234424669	1130642911	/nfs/dbraw/zinc/64/29/11/1130642911.db2.gz	MKEJAGBQGTWFFQ-VIFPVBQESA-N	-1	0	263.387	3.766	20	30		CHEDRM
C=CCc1cc(OC)c(OC)cc1O[C@@H](C)C1=CC=C[CH]1	ZINC001234551661	1130655909	/nfs/dbraw/zinc/65/59/09/1130655909.db2.gz	JPDDJBUOWQGPRD-ZDUSSCGKSA-N	-1	0	285.363	3.900	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc(Cl)cs2)n1	ZINC000759422199	1130657362	/nfs/dbraw/zinc/65/73/62/1130657362.db2.gz	TZXVSIWIICIIOR-MRVPVSSYSA-N	-1	0	282.777	3.657	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2ccc(Cl)cc2)c1	ZINC000759716879	1130671797	/nfs/dbraw/zinc/67/17/97/1130671797.db2.gz	FHYHAZDIVHOFEM-XBXARRHUSA-N	-1	0	298.729	3.569	20	30		CHEDRM
C=CCC(CC=C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815568	1130678140	/nfs/dbraw/zinc/67/81/40/1130678140.db2.gz	WAXZLJMPCQBXQO-UHFFFAOYSA-N	-1	0	286.327	3.707	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1cccc(F)c1	ZINC001234821480	1130678631	/nfs/dbraw/zinc/67/86/31/1130678631.db2.gz	FLHYECAMCGZZAW-NSHDSACASA-N	-1	0	259.280	3.774	20	30		CHEDRM
CCOc1ccccc1C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000812445722	1130695063	/nfs/dbraw/zinc/69/50/63/1130695063.db2.gz	XTJMJSKPUICXFU-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
Cc1cc(Br)c(O)c(C=NOC2CCCC2)c1	ZINC000781594659	1130729315	/nfs/dbraw/zinc/72/93/15/1130729315.db2.gz	DZZWKNZFWUITGV-UHFFFAOYSA-N	-1	0	298.180	3.756	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])cs1)C2	ZINC000782200255	1130761726	/nfs/dbraw/zinc/76/17/26/1130761726.db2.gz	KWGVXJGNCNOYQQ-WDZFZDKYSA-N	-1	0	284.336	3.577	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2c[nH]c3ccccc23)c1	ZINC000782200939	1130761892	/nfs/dbraw/zinc/76/18/92/1130761892.db2.gz	OXSYSHYPEVJGCU-WAYWQWQTSA-N	-1	0	297.335	3.824	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1	ZINC001236061869	1130844945	/nfs/dbraw/zinc/84/49/45/1130844945.db2.gz	LDCAHHQBKOAREF-UHFFFAOYSA-N	-1	0	263.296	3.607	20	30		CHEDRM
CC(=NOCCC1CC1)c1cc(Br)ccc1O	ZINC000814245777	1130847792	/nfs/dbraw/zinc/84/77/92/1130847792.db2.gz	HUJYQIYVRCWEOZ-UHFFFAOYSA-N	-1	0	298.180	3.695	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cccs2)c(Cl)c1	ZINC000783698377	1130848144	/nfs/dbraw/zinc/84/81/44/1130848144.db2.gz	ZQILSKUHUYRBCB-WAYWQWQTSA-N	-1	0	292.743	3.996	20	30		CHEDRM
CC(C)(C)[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)CS1	ZINC000814687712	1130899980	/nfs/dbraw/zinc/89/99/80/1130899980.db2.gz	RZTQACBRSNBTRK-ZDUSSCGKSA-N	-1	0	292.404	3.704	20	30		CHEDRM
CC(C)[C@@H]1CCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814689861	1130900577	/nfs/dbraw/zinc/90/05/77/1130900577.db2.gz	JDYYNSSMZFCSAU-JTQLQIEISA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC[C@@H](CN=Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000814768996	1130909437	/nfs/dbraw/zinc/90/94/37/1130909437.db2.gz	RIKXZVBLCIDEMU-ZDUSSCGKSA-N	-1	0	282.343	3.976	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCc1ccccc1	ZINC000814792503	1130911553	/nfs/dbraw/zinc/91/15/53/1130911553.db2.gz	SMHVBWIRVNXINH-UHFFFAOYSA-N	-1	0	283.327	3.552	20	30		CHEDRM
CC(=NNc1cc(F)cc(F)c1)c1csc(C(=O)[O-])c1	ZINC000814813201	1130915446	/nfs/dbraw/zinc/91/54/46/1130915446.db2.gz	KILINBNLXFXEHI-UHFFFAOYSA-N	-1	0	296.298	3.561	20	30		CHEDRM
C[C@@H]1CC(N=Nc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-]	ZINC000814904867	1130933750	/nfs/dbraw/zinc/93/37/50/1130933750.db2.gz	CBAFLEFCNFUMGE-SCZZXKLOSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CC(=NOC1CCCCC1)c1csc(C(=O)[O-])c1	ZINC000814910613	1130934694	/nfs/dbraw/zinc/93/46/94/1130934694.db2.gz	YWUANFAOZNZJEZ-UHFFFAOYSA-N	-1	0	267.350	3.520	20	30		CHEDRM
C[C@@H]1C(=NN[C@H]2CCCC2(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814917773	1130943190	/nfs/dbraw/zinc/94/31/90/1130943190.db2.gz	QUIOPWRFWQOSNG-BZPMIXESSA-N	-1	0	294.439	3.668	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1nc2ccccc2o1	ZINC000815915112	1131034333	/nfs/dbraw/zinc/03/43/33/1131034333.db2.gz	DFZDNVNFNAUGRP-LLVKDONJSA-N	-1	0	284.290	3.802	20	30		CHEDRM
C=CCN(Cc1cc(Cl)c(F)cc1[O-])CC(F)(F)F	ZINC000816496479	1131099635	/nfs/dbraw/zinc/09/96/35/1131099635.db2.gz	LUAWRYLPBKFFTQ-UHFFFAOYSA-N	-1	0	297.679	3.735	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1cc([O-])c(F)c(F)c1F	ZINC001245637779	1131100738	/nfs/dbraw/zinc/10/07/38/1131100738.db2.gz	VOTZEBUFQICJLM-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C\c2ccc(C#N)s2)c([O-])c1	ZINC000799896431	1131113620	/nfs/dbraw/zinc/11/36/20/1131113620.db2.gz	VWUIGKIPDKMSBY-WAYWQWQTSA-N	-1	0	283.352	3.838	20	30		CHEDRM
N#CCOc1ccc(Nc2ccc([S-])cc2)cc1	ZINC001212609278	1131211636	/nfs/dbraw/zinc/21/16/36/1131211636.db2.gz	DWUULGIVLAYEKW-UHFFFAOYSA-N	-1	0	256.330	3.621	20	30		CHEDRM
Cc1c(N=NC[C@@H](C)C(C)(C)C)cccc1C(=O)[O-]	ZINC000844622606	1131586427	/nfs/dbraw/zinc/58/64/27/1131586427.db2.gz	HFQGSKSJJGBUAY-SNVBAGLBSA-N	-1	0	262.353	3.773	20	30		CHEDRM
Cc1c(N=NC2CCCC[C@@H]2C)cccc1C(=O)[O-]	ZINC000844626937	1131586857	/nfs/dbraw/zinc/58/68/57/1131586857.db2.gz	FUDBXKKNMTUXEQ-JTQLQIEISA-N	-1	0	260.337	3.671	20	30		CHEDRM
Cc1c(N=NC2CC[C@@H]2C(C)C)cccc1C(=O)[O-]	ZINC000844623678	1131587068	/nfs/dbraw/zinc/58/70/68/1131587068.db2.gz	QCRHOPUXMUYNLZ-LLVKDONJSA-N	-1	0	260.337	3.527	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC001144589739	1131663383	/nfs/dbraw/zinc/66/33/83/1131663383.db2.gz	SITIZAHLBJKMMG-KGLIPLIRSA-N	-1	0	291.391	3.508	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)C1(Sc2ccccc2)CCCC1	ZINC000846546158	1131712746	/nfs/dbraw/zinc/71/27/46/1131712746.db2.gz	SHQBGKTWUANOHP-ZDUSSCGKSA-N	-1	0	291.416	3.714	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2C2CCC2)c(F)c1	ZINC000835009590	1131753542	/nfs/dbraw/zinc/75/35/42/1131753542.db2.gz	ZHNSEPHVUWUDJR-LLVKDONJSA-N	-1	0	276.311	3.502	20	30		CHEDRM
CC(C)C[C@H](C)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008132	1131753831	/nfs/dbraw/zinc/75/38/31/1131753831.db2.gz	BUROYMHYSXANKC-JTQLQIEISA-N	-1	0	266.316	3.604	20	30		CHEDRM
C=C[C@@H](CCCCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228387949	1131873338	/nfs/dbraw/zinc/87/33/38/1131873338.db2.gz	AUCIESWGDCJCTG-JTQLQIEISA-N	-1	0	270.760	3.739	20	30		CHEDRM
C[C@H](Oc1cccc2ccc(C#N)nc21)C1=CC=C[CH]1	ZINC001228408625	1131876440	/nfs/dbraw/zinc/87/64/40/1131876440.db2.gz	IBYARMDKJRFTLV-LBPRGKRZSA-N	-1	0	261.304	3.574	20	30		CHEDRM
O=C(C=Cc1cc(F)c(F)cc1F)c1sccc1[O-]	ZINC000773142877	1131960026	/nfs/dbraw/zinc/96/00/26/1131960026.db2.gz	HGTHXZNYMRVTQO-OWOJBTEDSA-N	-1	0	284.258	3.767	20	30		CHEDRM
N#Cc1ccncc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000808088849	1132033906	/nfs/dbraw/zinc/03/39/06/1132033906.db2.gz	DVIIKHXCTXZBNM-UHFFFAOYSA-N	-1	0	294.141	3.578	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@H](C)c1ncccc1F	ZINC001229737019	1132112558	/nfs/dbraw/zinc/11/25/58/1132112558.db2.gz	NYLLBNACWCCHJH-VDCVXVNISA-N	-1	0	274.295	3.559	20	30		CHEDRM
C=CC[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229791319	1132118590	/nfs/dbraw/zinc/11/85/90/1132118590.db2.gz	IRRMWIGVQIZBQX-LLVKDONJSA-N	-1	0	296.322	3.995	20	30		CHEDRM
C=CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F	ZINC001231459644	1132295874	/nfs/dbraw/zinc/29/58/74/1132295874.db2.gz	FAYLFVGOSWHQOT-UHFFFAOYSA-N	-1	0	299.345	3.712	20	30		CHEDRM
CCCON=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000842556276	1132441081	/nfs/dbraw/zinc/44/10/81/1132441081.db2.gz	JQZJYKQAPSTFDP-UHFFFAOYSA-N	-1	0	262.136	3.850	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc(C2CC2)cs1	ZINC000842941841	1132480072	/nfs/dbraw/zinc/48/00/72/1132480072.db2.gz	DFQLMKQJJIVXTF-DMTLFAOVSA-N	-1	0	286.400	3.943	20	30		CHEDRM
[O-]c1c(Cl)ccc(CN2CCC(S)CC2)c1Cl	ZINC001232627540	1132499058	/nfs/dbraw/zinc/49/90/58/1132499058.db2.gz	JECIYENJABFHGL-UHFFFAOYSA-N	-1	0	292.231	3.593	20	30		CHEDRM
CCCCC[C@H](Oc1[n-]c(=O)cc(C)c1C#N)C(C)C	ZINC001233919459	1132698153	/nfs/dbraw/zinc/69/81/53/1132698153.db2.gz	RZFQUJOTXYYTOW-AWEZNQCLSA-N	-1	0	276.380	3.951	20	30		CHEDRM
CC[C@H](C)CC[C@@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919276	1132698245	/nfs/dbraw/zinc/69/82/45/1132698245.db2.gz	DJMCBYZBZKEROU-CMPLNLGQSA-N	-1	0	262.353	3.561	20	30		CHEDRM
C/C=C/[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C1CCCCC1	ZINC001233919464	1132698550	/nfs/dbraw/zinc/69/85/50/1132698550.db2.gz	SFVCILCRLXEXLW-NKPGBKMFSA-N	-1	0	286.375	3.871	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H](C)CCCC(C)C)c1C#N	ZINC001233919274	1132698616	/nfs/dbraw/zinc/69/86/16/1132698616.db2.gz	CULVPWHTKYUWCS-GFCCVEGCSA-N	-1	0	262.353	3.561	20	30		CHEDRM
Cn1ccc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc21	ZINC001174100052	1132716427	/nfs/dbraw/zinc/71/64/27/1132716427.db2.gz	RBUWCIYFQDGLQP-UHFFFAOYSA-N	-1	0	281.290	3.638	20	30		CHEDRM
Cc1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001174114161	1132730246	/nfs/dbraw/zinc/73/02/46/1132730246.db2.gz	NSCKJHJOIMFTDF-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
C=CCCC[C@H](C(=O)[N-]OC1CCC1)c1ccccc1	ZINC001158455666	1132776548	/nfs/dbraw/zinc/77/65/48/1132776548.db2.gz	QRRBPRXUQGKZHT-INIZCTEOSA-N	-1	0	273.376	3.727	20	30		CHEDRM
Cc1cc(Nc2scc([O-])c2C#N)c(C)s1	ZINC001174421219	1132837083	/nfs/dbraw/zinc/83/70/83/1132837083.db2.gz	PPUKDTXRBKCMMC-UHFFFAOYSA-N	-1	0	250.348	3.747	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(F)c1	ZINC001174496216	1132862252	/nfs/dbraw/zinc/86/22/52/1132862252.db2.gz	GUCJYNYIHMTPCD-FNORWQNLSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174499968	1132878369	/nfs/dbraw/zinc/87/83/69/1132878369.db2.gz	MLIQCJQECUOCBD-QPJJXVBHSA-N	-1	0	282.274	3.539	20	30		CHEDRM
COc1cc(Nc2ccc([C@@H](C)C#N)cc2)ccc1C(=O)[O-]	ZINC001174684599	1132945947	/nfs/dbraw/zinc/94/59/47/1132945947.db2.gz	AKVFNPHGVLYQFZ-NSHDSACASA-N	-1	0	296.326	3.764	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1Nc1c(C)ccc(C)c1C#N	ZINC001174679503	1132946377	/nfs/dbraw/zinc/94/63/77/1132946377.db2.gz	AOPVGKOIYKBTKR-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
CCCN(CCC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203579880	1133341536	/nfs/dbraw/zinc/34/15/36/1133341536.db2.gz	GYBLCZHLOWLBSX-UHFFFAOYSA-N	-1	0	287.190	3.825	20	30		CHEDRM
N#Cc1cc(Nc2c3cc[nH]c3ccc2F)c([O-])cc1F	ZINC001204306186	1133433731	/nfs/dbraw/zinc/43/37/31/1133433731.db2.gz	QTDXPVSHLADDEY-UHFFFAOYSA-N	-1	0	285.253	3.767	20	30		CHEDRM
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)C1=CC=C[CH]1	ZINC001204644054	1133470839	/nfs/dbraw/zinc/47/08/39/1133470839.db2.gz	PVZHAIIRMCFSMA-UHFFFAOYSA-N	-1	0	299.737	3.592	20	30		CHEDRM
Cc1cccc(-c2ccc(F)c(C(=O)[O-])c2F)c1C#N	ZINC001205095430	1133528936	/nfs/dbraw/zinc/52/89/36/1133528936.db2.gz	HTWCCICBACDNQR-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(F)c(C(=O)[O-])c3F)cc2)CC1	ZINC001205095533	1133529286	/nfs/dbraw/zinc/52/92/86/1133529286.db2.gz	JWWBAOCRBVCQLD-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
C=CCOCc1cccc(-c2ccsc2C(=O)[O-])c1	ZINC001205609672	1133594011	/nfs/dbraw/zinc/59/40/11/1133594011.db2.gz	BLEIXLUGEHCVHA-UHFFFAOYSA-N	-1	0	274.341	3.816	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2csc(C(=O)[O-])c2)n1	ZINC001206244591	1133675167	/nfs/dbraw/zinc/67/51/67/1133675167.db2.gz	XUTJXVUHLMRIDE-UHFFFAOYSA-N	-1	0	272.329	3.503	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209893113	1134096840	/nfs/dbraw/zinc/09/68/40/1134096840.db2.gz	CESTVGUWTFVGFJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1	ZINC001210008649	1134121270	/nfs/dbraw/zinc/12/12/70/1134121270.db2.gz	SSUBXIABNCIRLU-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CC(C)Oc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210022934	1134125089	/nfs/dbraw/zinc/12/50/89/1134125089.db2.gz	HCSJSWILJSZAFN-UHFFFAOYSA-N	-1	0	286.306	3.934	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2cccc(CC(=O)[O-])c2)cc1	ZINC001210071747	1134140673	/nfs/dbraw/zinc/14/06/73/1134140673.db2.gz	PKZHGUBGOSODIP-UHFFFAOYSA-N	-1	0	294.354	3.858	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1Cl	ZINC001210071254	1134140696	/nfs/dbraw/zinc/14/06/96/1134140696.db2.gz	AJODGCZBJGFXLP-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
N#Cc1cc(Nc2cccc(CC(=O)[O-])c2)ccc1Cl	ZINC001210071464	1134140880	/nfs/dbraw/zinc/14/08/80/1134140880.db2.gz	KKJNFNHJHVWTIE-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210073950	1134141395	/nfs/dbraw/zinc/14/13/95/1134141395.db2.gz	ZVVKPQVFCWBECZ-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1ccc(C)c(Nc2cccc(CC(=O)[O-])c2)c1C#N	ZINC001210077722	1134141974	/nfs/dbraw/zinc/14/19/74/1134141974.db2.gz	YUHXWYKLKXVXNF-UHFFFAOYSA-N	-1	0	280.327	3.546	20	30		CHEDRM
COc1cccc(Nc2ccc([S-])cc2)c1C#N	ZINC001210123630	1134152752	/nfs/dbraw/zinc/15/27/52/1134152752.db2.gz	WVXHAOSCIOWWDK-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
N#Cc1cc(Nc2cccc3cc[nH]c32)c([O-])cc1F	ZINC001210214812	1134168483	/nfs/dbraw/zinc/16/84/83/1134168483.db2.gz	YIHZARKKERUAII-UHFFFAOYSA-N	-1	0	267.263	3.628	20	30		CHEDRM
N#Cc1cc(Nc2cccc(Cl)c2O)c([O-])cc1F	ZINC001210222994	1134171624	/nfs/dbraw/zinc/17/16/24/1134171624.db2.gz	GNQBVHCTBJFREQ-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
N#Cc1c(F)cc(F)cc1Nc1cccc([O-])c1Cl	ZINC001210859478	1134314187	/nfs/dbraw/zinc/31/41/87/1134314187.db2.gz	JMLRXMUWWMZPEZ-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1cccc([O-])c1Cl	ZINC001210854420	1134314376	/nfs/dbraw/zinc/31/43/76/1134314376.db2.gz	VVGCHLTVWVWGJK-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
C#CCOc1ccc(Nc2cccc([S-])c2)cc1	ZINC001210949265	1134338265	/nfs/dbraw/zinc/33/82/65/1134338265.db2.gz	BFNKDEFVCJLZPM-UHFFFAOYSA-N	-1	0	255.342	3.731	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)cc(Cl)c2[O-])ccc1N	ZINC001213436922	1134447504	/nfs/dbraw/zinc/44/75/04/1134447504.db2.gz	DHROZLZTLWYEDZ-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
COc1ccc(C#N)cc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214490605	1134544486	/nfs/dbraw/zinc/54/44/86/1134544486.db2.gz	YORDNYWPENDZBU-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1cnc(Nc2ccc(Cl)c([O-])c2F)c(C#N)c1	ZINC001214796180	1134574280	/nfs/dbraw/zinc/57/42/80/1134574280.db2.gz	IBKZARDBBQDAGJ-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
Cc1cccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1C#N	ZINC001215466352	1134630051	/nfs/dbraw/zinc/63/00/51/1134630051.db2.gz	UVWUCDAFCAQZHB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1sccc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215695841	1134660583	/nfs/dbraw/zinc/66/05/83/1134660583.db2.gz	XEHNOAMXPZEFBI-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
COc1cc(C)cc(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001215708722	1134665004	/nfs/dbraw/zinc/66/50/04/1134665004.db2.gz	KBXFBEQIGRUDCU-UHFFFAOYSA-N	-1	0	290.269	3.603	20	30		CHEDRM
CC(C)c1ccc(N)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001216023942	1134752951	/nfs/dbraw/zinc/75/29/51/1134752951.db2.gz	QEZKJHZOWJFCNE-UHFFFAOYSA-N	-1	0	285.322	3.852	20	30		CHEDRM
C#CCOc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cc1	ZINC001216311780	1134846617	/nfs/dbraw/zinc/84/66/17/1134846617.db2.gz	QEKRESCFWJMNTK-UHFFFAOYSA-N	-1	0	295.338	3.757	20	30		CHEDRM
Cc1cc(Nc2ccccc2CC#N)cc(C)c1C(=O)[O-]	ZINC001216311777	1134846986	/nfs/dbraw/zinc/84/69/86/1134846986.db2.gz	QCQLGDRVVBUNAP-UHFFFAOYSA-N	-1	0	280.327	3.811	20	30		CHEDRM
Cc1cc(Nc2ccccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216311477	1134847213	/nfs/dbraw/zinc/84/72/13/1134847213.db2.gz	KJLUZBFRVKBOCS-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1noc2ccc(Nc3scc([O-])c3C#N)cc12	ZINC001216638442	1134937153	/nfs/dbraw/zinc/93/71/53/1134937153.db2.gz	KNOLFWIZKQNNMS-UHFFFAOYSA-N	-1	0	271.301	3.519	20	30		CHEDRM
Cc1oc(Nc2cccc(C(=O)[O-])c2C)c(C#N)c1C	ZINC001216658043	1134940273	/nfs/dbraw/zinc/94/02/73/1134940273.db2.gz	QKNVORYMXYJXOJ-UHFFFAOYSA-N	-1	0	270.288	3.518	20	30		CHEDRM
Cc1ccc(Nc2cccc(C(=O)[O-])c2C)cc1C#N	ZINC001216662087	1134942988	/nfs/dbraw/zinc/94/29/88/1134942988.db2.gz	ZNUXXOHWOBUQSL-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
N#CCc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1F	ZINC001222678639	1135263382	/nfs/dbraw/zinc/26/33/82/1135263382.db2.gz	JYXFFXNTNQEJEJ-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc(C)c1C#N	ZINC001222685925	1135263909	/nfs/dbraw/zinc/26/39/09/1135263909.db2.gz	MOWPMGTUKBXIRJ-UHFFFAOYSA-N	-1	0	291.350	3.958	20	30		CHEDRM
Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc(F)c1C#N	ZINC001222690354	1135264617	/nfs/dbraw/zinc/26/46/17/1135264617.db2.gz	HDEHHCUYFZGVEB-UHFFFAOYSA-N	-1	0	295.313	3.789	20	30		CHEDRM
[O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@H]1C=CCC1	ZINC001222939048	1135286773	/nfs/dbraw/zinc/28/67/73/1135286773.db2.gz	RNDIZBOXOKTKMP-XZCCHYJMSA-N	-1	0	287.693	3.846	20	30		CHEDRM
C=C[C@H](CCCCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517770	1135582316	/nfs/dbraw/zinc/58/23/16/1135582316.db2.gz	MMSRSBWKRXBZSD-CYBMUJFWSA-N	-1	0	298.404	3.837	20	30		CHEDRM
C[C@H](CC(C)(C)S)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884511	1135633997	/nfs/dbraw/zinc/63/39/97/1135633997.db2.gz	HZDRCNAOZNZSTH-RXMQYKEDSA-N	-1	0	298.301	3.814	20	30		CHEDRM
C=CC[C@@H](Oc1[n-]c(=O)ncc1F)c1ccc(Cl)cc1	ZINC001225886501	1135634416	/nfs/dbraw/zinc/63/44/16/1135634416.db2.gz	ZDCYJEUKMBFYLL-GFCCVEGCSA-N	-1	0	294.713	3.671	20	30		CHEDRM
CC[C@@H](C#Cc1ccccc1)Oc1cc(C(C)=O)ccc1O	ZINC001225995948	1135649548	/nfs/dbraw/zinc/64/95/48/1135649548.db2.gz	VMTURHNFONWUJJ-KRWDZBQOSA-N	-1	0	294.350	3.804	20	30		CHEDRM
COc1cccc([C@H](C)Oc2cccc(/C=N/O)c2)c1	ZINC001226113827	1135664377	/nfs/dbraw/zinc/66/43/77/1135664377.db2.gz	ALTXMNNNARRESL-OOIIIRTPSA-N	-1	0	271.316	3.643	20	30		CHEDRM
N#Cc1ccc(-c2ccccc2C(=O)[O-])cc1C(F)(F)F	ZINC000574043110	334987345	/nfs/dbraw/zinc/98/73/45/334987345.db2.gz	IARHOHYVXYKLHN-UHFFFAOYSA-N	-1	0	291.228	3.942	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000107454446	261379437	/nfs/dbraw/zinc/37/94/37/261379437.db2.gz	JZJMVOMUBACAIN-UHFFFAOYSA-N	-1	0	277.364	3.613	20	30		CHEDRM
O=C(/C=C/c1cccc(O)c1)c1cc(Cl)ccc1[O-]	ZINC000038921613	174159592	/nfs/dbraw/zinc/15/95/92/174159592.db2.gz	BJLBUIYKSNQHQA-GQCTYLIASA-N	-1	0	274.703	3.647	20	30		CHEDRM
N#CC1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCCC1	ZINC000155531928	261102978	/nfs/dbraw/zinc/10/29/78/261102978.db2.gz	JDWJHXDVUFUPMA-UHFFFAOYSA-N	-1	0	299.157	3.721	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000175122972	261209315	/nfs/dbraw/zinc/20/93/15/261209315.db2.gz	XCGWTXFNCMGFKG-NSHDSACASA-N	-1	0	280.283	3.528	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C1CC(F)(F)C1	ZINC000277565510	263041917	/nfs/dbraw/zinc/04/19/17/263041917.db2.gz	XNNQGTIBZFPSGP-FZSIALSZSA-N	-1	0	280.101	3.916	20	30		CHEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000285502703	263093387	/nfs/dbraw/zinc/09/33/87/263093387.db2.gz	AZTTUSNTQYRLBN-GFCCVEGCSA-N	-1	0	287.146	3.577	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286588982	328522673	/nfs/dbraw/zinc/52/26/73/328522673.db2.gz	AMDOWRGTOCQAEM-MRVPVSSYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080451079	330131139	/nfs/dbraw/zinc/13/11/39/330131139.db2.gz	IIOCBZLSTBVYRC-NSHDSACASA-N	-1	0	274.345	3.658	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080451389	330131152	/nfs/dbraw/zinc/13/11/52/330131152.db2.gz	GPHPPFMJINZGFF-SNVBAGLBSA-N	-1	0	274.345	3.658	20	30		CHEDRM
Cc1ncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)s1	ZINC000080455844	330131256	/nfs/dbraw/zinc/13/12/56/330131256.db2.gz	GGNPPLSUGZNMHB-SECBINFHSA-N	-1	0	291.401	3.522	20	30		CHEDRM
C=CCC1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCCC1	ZINC000456481345	331193384	/nfs/dbraw/zinc/19/33/84/331193384.db2.gz	AZMBOUNQTBUKHG-UHFFFAOYSA-N	-1	0	295.329	3.537	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(Br)ccc1O	ZINC000184837798	333132582	/nfs/dbraw/zinc/13/25/82/333132582.db2.gz	SEFYCVAGSUNSGK-SECBINFHSA-N	-1	0	298.180	3.696	20	30		CHEDRM
CC#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1O	ZINC000184838213	333132634	/nfs/dbraw/zinc/13/26/34/333132634.db2.gz	DQGJDVPBEIPGQO-UHFFFAOYSA-N	-1	0	285.265	3.543	20	30		CHEDRM
Cc1cocc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000528967100	333466972	/nfs/dbraw/zinc/46/69/72/333466972.db2.gz	UAWSIXXMLAGVKY-SNVBAGLBSA-N	-1	0	274.345	3.658	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000177443085	335372437	/nfs/dbraw/zinc/37/24/37/335372437.db2.gz	RJGMYESGYDPOLQ-UHFFFAOYSA-N	-1	0	265.740	3.753	20	30		CHEDRM
C=CCSCc1csc(-c2cccc(C(=O)[O-])c2)n1	ZINC000825702051	600968315	/nfs/dbraw/zinc/96/83/15/600968315.db2.gz	AIVDIIAHFHSXCF-UHFFFAOYSA-N	-1	0	291.397	3.928	20	30		CHEDRM
CC(C)(C#N)CCCNc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000826071815	601909782	/nfs/dbraw/zinc/90/97/82/601909782.db2.gz	OOAMYDCMRWRHNH-UHFFFAOYSA-N	-1	0	288.391	3.791	20	30		CHEDRM
CCc1oc(C(=O)[O-])cc1CSc1cccc(C#N)c1	ZINC000830395259	602289857	/nfs/dbraw/zinc/28/98/57/602289857.db2.gz	WVNCEAURAKKTQM-UHFFFAOYSA-N	-1	0	287.340	3.704	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)s1	ZINC000832928931	604627215	/nfs/dbraw/zinc/62/72/15/604627215.db2.gz	YXSLNNFVBDBHTP-CMDGGOBGSA-N	-1	0	272.325	3.651	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1	ZINC000200396302	604629258	/nfs/dbraw/zinc/62/92/58/604629258.db2.gz	UIHZKINZYLSXPI-MVTUOISNSA-N	-1	0	278.307	3.837	20	30		CHEDRM
C=CCCC(CC)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756906203	604630737	/nfs/dbraw/zinc/63/07/37/604630737.db2.gz	UKUONUOOGHSRRG-UHFFFAOYSA-N	-1	0	276.336	3.538	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000833374025	605057561	/nfs/dbraw/zinc/05/75/61/605057561.db2.gz	NYCXTRKOXZCJKR-NSHDSACASA-N	-1	0	291.351	3.643	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cc2ccccc2o1	ZINC000812446169	605098599	/nfs/dbraw/zinc/09/85/99/605098599.db2.gz	QKFFPLZQSZSJCY-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
N#Cc1c(Cl)cccc1SCc1cc(C(=O)[O-])co1	ZINC000833760857	605264058	/nfs/dbraw/zinc/26/40/58/605264058.db2.gz	GJCOLCQKRPXOKV-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC000833368757	605399658	/nfs/dbraw/zinc/39/96/58/605399658.db2.gz	SUNCFWZFPCOLGZ-UHFFFAOYSA-N	-1	0	290.363	3.548	20	30		CHEDRM
CCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000008321621	956884944	/nfs/dbraw/zinc/88/49/44/956884944.db2.gz	BBECTEJMVJPQHC-LFYBBSHMSA-N	-1	0	296.322	3.680	20	30		CHEDRM
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC=CCC2)cc1	ZINC000013181608	956966489	/nfs/dbraw/zinc/96/64/89/956966489.db2.gz	FTCACNYGFFWKSQ-LSDHHAIUSA-N	-1	0	287.359	3.824	20	30		CHEDRM
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CC=CCC2)cc1	ZINC000013181614	956966703	/nfs/dbraw/zinc/96/67/03/956966703.db2.gz	FTCACNYGFFWKSQ-HUUCEWRRSA-N	-1	0	287.359	3.824	20	30		CHEDRM
N#Cc1ccc(SCC2(CC(=O)[O-])CC2)c(Cl)c1	ZINC000088113342	958045919	/nfs/dbraw/zinc/04/59/19/958045919.db2.gz	UWFNDUMUMPXEKS-UHFFFAOYSA-N	-1	0	281.764	3.559	20	30		CHEDRM
C=CCCCCCN1CCCc2c(C(=O)[O-])cccc21	ZINC000236472472	960655409	/nfs/dbraw/zinc/65/54/09/960655409.db2.gz	ROUYWTCWXSNXGO-UHFFFAOYSA-N	-1	0	273.376	3.884	20	30		CHEDRM
CCCCCCCCCNC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001573841541	961084546	/nfs/dbraw/zinc/08/45/46/961084546.db2.gz	UPZITBCGRRXEEY-CYBMUJFWSA-N	-1	0	285.428	3.600	20	30		CHEDRM
C#CCCCCCCSc1ncc(C(=O)[O-])s1	ZINC001573302274	962647607	/nfs/dbraw/zinc/64/76/07/962647607.db2.gz	UEMKMSSOHWIACF-UHFFFAOYSA-N	-1	0	269.391	3.517	20	30		CHEDRM
C=CC[C@@H](Sc1nc2ccc(F)cc2s1)C(=O)[O-]	ZINC001573352828	962992886	/nfs/dbraw/zinc/99/28/86/962992886.db2.gz	KUUVSZRNRUGTCF-SECBINFHSA-N	-1	0	283.349	3.557	20	30		CHEDRM
C=CCCC[C@@H](Nc1ccc(C(=O)[O-])nn1)c1ccccc1	ZINC001573364657	963049511	/nfs/dbraw/zinc/04/95/11/963049511.db2.gz	ACUGGNFHOPIJJQ-CQSZACIVSA-N	-1	0	297.358	3.684	20	30		CHEDRM
C#CCCCCCCN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC001588441678	964051864	/nfs/dbraw/zinc/05/18/64/964051864.db2.gz	JJNUBNGXQUMFBO-HNNXBMFYSA-N	-1	0	285.387	3.649	20	30		CHEDRM
CCCCCCCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000398833420	968281258	/nfs/dbraw/zinc/28/12/58/968281258.db2.gz	IDWGQJOJVBDBFI-LSDHHAIUSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCCC[C@H](C)OC(=O)c1cc(F)c([O-])c(F)c1	ZINC000765487046	1118155153	/nfs/dbraw/zinc/15/51/53/1118155153.db2.gz	OUIDVPOVEBMAMY-VIFPVBQESA-N	-1	0	270.275	3.572	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H](C)c1ccccc1	ZINC000756905859	978702087	/nfs/dbraw/zinc/70/20/87/978702087.db2.gz	NLNZGULHZHJJPK-GFCCVEGCSA-N	-1	0	298.342	3.595	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2\Cc3ccc(Cl)cc3C2=O)cc1	ZINC000762448417	978720039	/nfs/dbraw/zinc/72/00/39/978720039.db2.gz	WLYSTZCEOUNOLH-NTUHNPAUSA-N	-1	0	298.725	3.861	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC12CCCC2	ZINC000788722287	978797454	/nfs/dbraw/zinc/79/74/54/978797454.db2.gz	OLFOXYHPYJWQNG-UHFFFAOYSA-N	-1	0	288.347	3.516	20	30		CHEDRM
CC(=NOC1CCCCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814910096	978898057	/nfs/dbraw/zinc/89/80/57/978898057.db2.gz	QHEIRWNYTXJKMH-GFCCVEGCSA-N	-1	0	269.385	3.993	20	30		CHEDRM
CC(=NN[C@H](C)C(C)(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814937931	978899599	/nfs/dbraw/zinc/89/95/99/978899599.db2.gz	RUUXTGIOIDFVIZ-WCQYABFASA-N	-1	0	270.417	3.668	20	30		CHEDRM
CSc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000834998429	979243060	/nfs/dbraw/zinc/24/30/60/979243060.db2.gz	HDBHQVKADKYYNS-GHMZBOCLSA-N	-1	0	292.404	3.697	20	30		CHEDRM
CC1(C)CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009863	979243941	/nfs/dbraw/zinc/24/39/41/979243941.db2.gz	GCVNHQKVRTXHPW-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CCCC[C@H](SCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001595657275	982061082	/nfs/dbraw/zinc/06/10/82/982061082.db2.gz	KAEWAQRXDJSJJY-ZDUSSCGKSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCCCCCC(=O)Oc1ccc(CC(=O)[O-])cc1F	ZINC001595704860	982280905	/nfs/dbraw/zinc/28/09/05/982280905.db2.gz	KINGSLFYBWHNTI-UHFFFAOYSA-N	-1	0	296.338	3.719	20	30		CHEDRM
CCCCCCCSCc1cccc(C(=O)[O-])n1	ZINC001595708875	982287813	/nfs/dbraw/zinc/28/78/13/982287813.db2.gz	JOLJCQBPCBKIHH-UHFFFAOYSA-N	-1	0	267.394	3.983	20	30		CHEDRM
C=CCCC(CC)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012823	1118768955	/nfs/dbraw/zinc/76/89/55/1118768955.db2.gz	WIOZHXOLZBPNRZ-UHFFFAOYSA-N	-1	0	264.300	3.668	20	30		CHEDRM
CC[C@H](C)[C@@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001594929491	982548512	/nfs/dbraw/zinc/54/85/12/982548512.db2.gz	SPIOSWBDWBWSTL-QPUJVOFHSA-N	-1	0	283.780	3.803	20	30		CHEDRM
C#C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1	ZINC001588378520	983363108	/nfs/dbraw/zinc/36/31/08/983363108.db2.gz	ZIXYTUOOWIGIBW-MRXNPFEDSA-N	-1	0	299.757	3.502	20	30		CHEDRM
CCCc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001596068872	983382800	/nfs/dbraw/zinc/38/28/00/983382800.db2.gz	OBQXBNDHUDCDEA-BQYQJAHWSA-N	-1	0	284.311	3.826	20	30		CHEDRM
C#Cc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c(Cl)c1	ZINC001588517902	983566845	/nfs/dbraw/zinc/56/68/45/983566845.db2.gz	JABDVCWCAJQHGR-ZKYQVNSYSA-N	-1	0	291.778	3.623	20	30		CHEDRM
C#Cc1ccc(NC2CCC(CC(=O)[O-])CC2)c(Cl)c1	ZINC001588517980	983567392	/nfs/dbraw/zinc/56/73/92/983567392.db2.gz	LPPXXGPBIZNKLF-UHFFFAOYSA-N	-1	0	291.778	3.767	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001588536939	983596782	/nfs/dbraw/zinc/59/67/82/983596782.db2.gz	WAOLFKBXXOFCJQ-SECBINFHSA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=C[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1	ZINC001588663436	983794923	/nfs/dbraw/zinc/79/49/23/983794923.db2.gz	GJCIARQCMNBEBC-HNNXBMFYSA-N	-1	0	295.338	3.602	20	30		CHEDRM
C=C[C@@](C)(CC)COC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588682805	983845469	/nfs/dbraw/zinc/84/54/69/983845469.db2.gz	QKFQCSKIFRFTNX-GTPINHCMSA-N	-1	0	294.391	3.557	20	30		CHEDRM
C=CC[C@H](C(=O)[O-])N1C[C@@H](c2ccccc2)c2ccccc21	ZINC001588729470	983990460	/nfs/dbraw/zinc/99/04/60/983990460.db2.gz	QUANKIANLFWLRB-FUHWJXTLSA-N	-1	0	293.366	3.668	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588731863	984012163	/nfs/dbraw/zinc/01/21/63/984012163.db2.gz	OZQMQAZMGRYAQQ-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=CC[C@@H](Nc1ccccc1CCC(F)(F)F)C(=O)[O-]	ZINC001588750929	984074793	/nfs/dbraw/zinc/07/47/93/984074793.db2.gz	IDTVOWOCUCQFPC-GFCCVEGCSA-N	-1	0	287.281	3.623	20	30		CHEDRM
C=CC[C@@H](Sc1ccc2ccccc2c1)C(=O)[O-]	ZINC001588757956	984104197	/nfs/dbraw/zinc/10/41/97/984104197.db2.gz	CTMWEWHZRRPVOL-CQSZACIVSA-N	-1	0	258.342	3.961	20	30		CHEDRM
C=CC[C@H](Sc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC001588757993	984104870	/nfs/dbraw/zinc/10/48/70/984104870.db2.gz	DMPMRDULYFLZDX-JTQLQIEISA-N	-1	0	260.717	3.601	20	30		CHEDRM
C=CC[C@@H](SCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC001588759692	984113625	/nfs/dbraw/zinc/11/36/25/984113625.db2.gz	ZBEGUXFZYOHHDC-CYBMUJFWSA-N	-1	0	250.363	3.566	20	30		CHEDRM
C=CCC[C@@H](C)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001588777569	984156828	/nfs/dbraw/zinc/15/68/28/984156828.db2.gz	DKMKSBYIJSRXJL-QWHCGFSZSA-N	-1	0	261.365	3.716	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588777728	984157504	/nfs/dbraw/zinc/15/75/04/984157504.db2.gz	HVRVFCYENZIFRT-UHFFFAOYSA-N	-1	0	290.363	3.560	20	30		CHEDRM
C=CCCC[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001588787042	984185693	/nfs/dbraw/zinc/18/56/93/984185693.db2.gz	SVFLNPYPGSOYEA-GJZGRUSLSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=CCCCCCCCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588798775	984238856	/nfs/dbraw/zinc/23/88/56/984238856.db2.gz	QXALKMMJZWPGDN-UHFFFAOYSA-N	-1	0	289.375	3.641	20	30		CHEDRM
C=CCOCCSc1cc2ccccc2cc1C(=O)[O-]	ZINC001588868820	984435910	/nfs/dbraw/zinc/43/59/10/984435910.db2.gz	XNJYOCHWVLZQGC-UHFFFAOYSA-N	-1	0	288.368	3.833	20	30		CHEDRM
CC(C)(C#N)CCCNc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC001589554456	987301536	/nfs/dbraw/zinc/30/15/36/987301536.db2.gz	BFVNVEKEMKLSGH-UHFFFAOYSA-N	-1	0	285.347	3.608	20	30		CHEDRM
CC(C)(C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001589722520	987891310	/nfs/dbraw/zinc/89/13/10/987891310.db2.gz	IRCDRODOEVOEHF-LLVKDONJSA-N	-1	0	283.780	3.803	20	30		CHEDRM
CCc1cccc(C)c1NCc1cccc(C(=O)[O-])c1C#N	ZINC001597581285	988387132	/nfs/dbraw/zinc/38/71/32/988387132.db2.gz	VBEOZNZITLIVLI-UHFFFAOYSA-N	-1	0	294.354	3.739	20	30		CHEDRM
C[C@H]1C/C(=C\c2cc(C(=O)[O-])co2)C(=O)c2ccccc21	ZINC001594195999	998760000	/nfs/dbraw/zinc/76/00/00/998760000.db2.gz	FNKYGVNWQKPUTI-VUBLIPMDSA-N	-1	0	282.295	3.751	20	30		CHEDRM
CCCCCCCNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000862357944	1123802265	/nfs/dbraw/zinc/80/22/65/1123802265.db2.gz	NQQLUKSYECWUNM-UHFFFAOYSA-N	-1	0	289.297	3.510	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl	ZINC000846548082	1131713400	/nfs/dbraw/zinc/71/34/00/1131713400.db2.gz	CYWLOCJSEFWZMV-DTWKUNHWSA-N	-1	0	288.174	3.719	20	30		CHEDRM
COCC1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000846756163	1131723974	/nfs/dbraw/zinc/72/39/74/1131723974.db2.gz	GUGKLVXNZOPUIW-OMCISZLKSA-N	-1	0	288.174	3.545	20	30		CHEDRM
O=C(C=Cc1c(F)cccc1F)c1sccc1[O-]	ZINC000773142924	1131959144	/nfs/dbraw/zinc/95/91/44/1131959144.db2.gz	ITNTYMXAMJHCAG-PLNGDYQASA-N	-1	0	266.268	3.628	20	30		CHEDRM
C#CC1CCN(Cc2ccc(Cl)c([O-])c2Cl)CC1	ZINC001232627646	1132497806	/nfs/dbraw/zinc/49/78/06/1132497806.db2.gz	MKSNFXKONWYIMH-UHFFFAOYSA-N	-1	0	284.186	3.544	20	30		CHEDRM
N#Cc1cccc(N)c1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210929968	1134328789	/nfs/dbraw/zinc/32/87/89/1134328789.db2.gz	AOPCSZNBHDYKDD-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)c([O-])c2F)cs1	ZINC001214797839	1134574051	/nfs/dbraw/zinc/57/40/51/1134574051.db2.gz	GRNIATGYXCHEGS-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
Cn1c(Nc2cc(C#N)c(F)cc2[O-])cc2ccccc21	ZINC001212052660	1125672065	/nfs/dbraw/zinc/67/20/65/1125672065.db2.gz	ZSLGQWRBEJGVJS-UHFFFAOYSA-N	-1	0	281.290	3.638	20	30		CHEDRM
O=C(/C=C/c1cnc2ccc(Cl)cn12)c1ccccc1[O-]	ZINC000757474096	1125768747	/nfs/dbraw/zinc/76/87/47/1125768747.db2.gz	IVELUGKCRBLPRV-VOTSOKGWSA-N	-1	0	298.729	3.589	20	30		CHEDRM
COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1F	ZINC000757476874	1125773772	/nfs/dbraw/zinc/77/37/72/1125773772.db2.gz	VKGFIYYFMQNJLB-KXFIGUGUSA-N	-1	0	290.265	3.575	20	30		CHEDRM
CO[C@H]1C[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000887268827	1125781059	/nfs/dbraw/zinc/78/10/59/1125781059.db2.gz	WLPLOGGKMMJPAF-WKNALBAISA-N	-1	0	288.174	3.543	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000899855177	1126705007	/nfs/dbraw/zinc/70/50/07/1126705007.db2.gz	SWDGHWDHLQUURB-CABCVRRESA-N	-1	0	287.359	3.549	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccccc2[O-])n1	ZINC001241009494	1130562783	/nfs/dbraw/zinc/56/27/83/1130562783.db2.gz	SLZQZYAHXGEPBM-UHFFFAOYSA-N	-1	0	252.317	3.623	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2nc(Cl)cs2)c([O-])c1	ZINC000759085686	1130636116	/nfs/dbraw/zinc/63/61/16/1130636116.db2.gz	WUACYUHRRRGDCB-PLNGDYQASA-N	-1	0	279.748	3.707	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000149050846	1126923646	/nfs/dbraw/zinc/92/36/46/1126923646.db2.gz	HUTQWGRSAOKVSL-JXMROGBWSA-N	-1	0	268.312	3.556	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000192851323	1126964851	/nfs/dbraw/zinc/96/48/51/1126964851.db2.gz	WOPLJSDCWHCQCB-VIFPVBQESA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000908684382	1127010375	/nfs/dbraw/zinc/01/03/75/1127010375.db2.gz	KIMOSSJZJNFMCB-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000046708595	1127436942	/nfs/dbraw/zinc/43/69/42/1127436942.db2.gz	RCTOZOALBNHZNZ-LBPRGKRZSA-N	-1	0	283.393	3.548	20	30		CHEDRM
Cc1[n-]n(-c2cc(Cl)cc(Cl)c2)c(=O)c1CCC#N	ZINC000601937813	1127551456	/nfs/dbraw/zinc/55/14/56/1127551456.db2.gz	IIHUHAMETNJJJQ-GFCCVEGCSA-N	-1	0	296.157	3.636	20	30		CHEDRM
N#Cc1cc(-c2csc3ccc(C(=O)[O-])cc32)ccc1O	ZINC000598948360	1127645681	/nfs/dbraw/zinc/64/56/81/1127645681.db2.gz	CPWUPEAFTXATBG-UHFFFAOYSA-N	-1	0	295.319	3.844	20	30		CHEDRM
CC(=NNC12CC(C1)C2)c1ccc(Cl)c(Cl)c1[O-]	ZINC000842546956	1128260131	/nfs/dbraw/zinc/26/01/31/1128260131.db2.gz	QBIRXEVDUJVLER-UHFFFAOYSA-N	-1	0	285.174	3.565	20	30		CHEDRM
CC[C@@H]1CCCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000915113044	1128284274	/nfs/dbraw/zinc/28/42/74/1128284274.db2.gz	MACFBDYGLCYGAX-HWSBYKFUSA-N	-1	0	276.336	3.688	20	30		CHEDRM
COc1cc(Cl)cc(-c2cc(/C=N/O)ccc2F)c1	ZINC001205141023	1128310761	/nfs/dbraw/zinc/31/07/61/1128310761.db2.gz	ULNXGMKNRFREEN-CAOOACKPSA-N	-1	0	279.698	3.963	20	30		CHEDRM
CCCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000916240511	1128412652	/nfs/dbraw/zinc/41/26/52/1128412652.db2.gz	MUNWTUPFVIAUAI-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CC(=NNc1ccccc1Cl)c1ccc(C(=O)[O-])cc1	ZINC000915935564	1128397592	/nfs/dbraw/zinc/39/75/92/1128397592.db2.gz	RAFIWWUDPJLFKO-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2cc(C#N)cs2)c1	ZINC000156696002	1128638397	/nfs/dbraw/zinc/63/83/97/1128638397.db2.gz	QRMMQXIDHYASRR-HWKANZROSA-N	-1	0	269.325	3.530	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000047375813	1128670141	/nfs/dbraw/zinc/67/01/41/1128670141.db2.gz	KXUMGWOFEJYEKF-AWEZNQCLSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CC1(C)CC(=NNc2cccc(C(=O)[O-])c2)c2ccccc21	ZINC000920356395	1128678126	/nfs/dbraw/zinc/67/81/26/1128678126.db2.gz	KNEVTCIBDUOMNU-UHFFFAOYSA-N	-1	0	294.354	3.882	20	30		CHEDRM
Cc1cccc2[nH]cc(CN=Nc3ccccc3C(=O)[O-])c21	ZINC000920368414	1128678389	/nfs/dbraw/zinc/67/83/89/1128678389.db2.gz	KXXROCFNQJORHC-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccccc2)c1[O-]	ZINC000920943585	1128695654	/nfs/dbraw/zinc/69/56/54/1128695654.db2.gz	QZYHMJQOOXYRSW-SXGWCWSVSA-N	-1	0	290.706	3.573	20	30		CHEDRM
O=C(/C=C\c1ccccc1Cl)c1ccc(O)cc1[O-]	ZINC000215808143	1128727767	/nfs/dbraw/zinc/72/77/67/1128727767.db2.gz	HUJPOSGMEWSBGX-YVMONPNESA-N	-1	0	274.703	3.647	20	30		CHEDRM
N#CC(=C([O-])c1scnc1C1CCCC1)c1ccccn1	ZINC000185251830	1117796235	/nfs/dbraw/zinc/79/62/35/1117796235.db2.gz	ZAKICAGDEVQTIX-LBPRGKRZSA-N	-1	0	297.383	3.686	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C)c2C)n1	ZINC000180731407	1117938997	/nfs/dbraw/zinc/93/89/97/1117938997.db2.gz	NYKFQYUZAZTMIN-SNVBAGLBSA-N	-1	0	276.386	3.620	20	30		CHEDRM
CC(=NNc1ccc(F)cc1C)c1cccc(C(=O)[O-])c1	ZINC000750946561	1118124716	/nfs/dbraw/zinc/12/47/16/1118124716.db2.gz	UAODRKBCXOERAK-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
C=CCCC[C@@H](C)OC(=O)c1c(F)cc([O-])cc1F	ZINC000765479310	1118153786	/nfs/dbraw/zinc/15/37/86/1118153786.db2.gz	LXIITZXQSAODOW-SECBINFHSA-N	-1	0	270.275	3.572	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccnc(Cl)c2[O-])c1	ZINC001210535987	1118318017	/nfs/dbraw/zinc/31/80/17/1118318017.db2.gz	IWPKMNOMDYZCSF-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1cc(Nc2cnc3sccc3c2)c([O-])cc1F	ZINC001210694538	1118366039	/nfs/dbraw/zinc/36/60/39/1118366039.db2.gz	CTUUSZZFVCFXOQ-UHFFFAOYSA-N	-1	0	285.303	3.756	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000782200504	1118502816	/nfs/dbraw/zinc/50/28/16/1118502816.db2.gz	RWKYOTQXCSMGPY-WAYWQWQTSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Oc1ccc(Cl)cc1/C=N/Cc1ccc(Cl)nc1	ZINC000077552092	1118529937	/nfs/dbraw/zinc/52/99/37/1118529937.db2.gz	QBZPGOQJSKQXAH-LZYBPNLTSA-N	-1	0	281.142	3.713	20	30		CHEDRM
Cc1cncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1	ZINC000430597849	1118587294	/nfs/dbraw/zinc/58/72/94/1118587294.db2.gz	BCOISMFVHVVFQZ-LBPRGKRZSA-N	-1	0	299.399	3.634	20	30		CHEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)C(C)C	ZINC000076762212	1128788060	/nfs/dbraw/zinc/78/80/60/1128788060.db2.gz	LTDNTSYTJBAHOO-CQSZACIVSA-N	-1	0	297.420	3.513	20	30		CHEDRM
Cc1ccncc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430609721	1118615372	/nfs/dbraw/zinc/61/53/72/1118615372.db2.gz	INRDLBVJBGNERN-LLVKDONJSA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1csc(Nc2cc(C)cc(C(=O)[O-])c2)c1C#N	ZINC001211535067	1118935108	/nfs/dbraw/zinc/93/51/08/1118935108.db2.gz	MCVXMZXAYQLELL-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000728438994	1118947190	/nfs/dbraw/zinc/94/71/90/1118947190.db2.gz	SWLWTZBARYNSEH-FNORWQNLSA-N	-1	0	256.276	3.736	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728439019	1118947326	/nfs/dbraw/zinc/94/73/26/1118947326.db2.gz	UKOMZIYBWOXONU-CLFYSBASSA-N	-1	0	270.303	3.990	20	30		CHEDRM
CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728438798	1118947971	/nfs/dbraw/zinc/94/79/71/1118947971.db2.gz	OUVZQABHIYDKDJ-WEVVVXLNSA-N	-1	0	286.302	3.826	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)s2)cc(C)c1C(=O)[O-]	ZINC001216309405	1118978154	/nfs/dbraw/zinc/97/81/54/1118978154.db2.gz	UISKLWWLMWHOTN-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001211542669	1119058362	/nfs/dbraw/zinc/05/83/62/1119058362.db2.gz	NJUVZHMEWJZMIX-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCc1ccccn1	ZINC000255513887	1119114863	/nfs/dbraw/zinc/11/48/63/1119114863.db2.gz	DZZFODQWSNYZDY-MFOYZWKCSA-N	-1	0	295.169	3.756	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(C)cc2C#N)cc(C(=O)[O-])c1	ZINC001211550033	1119124047	/nfs/dbraw/zinc/12/40/47/1119124047.db2.gz	TXZVNIFTJSIYQD-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1ccc(Nc2sc3c(c2C#N)CCC3)cc1C(=O)[O-]	ZINC001211594166	1119397310	/nfs/dbraw/zinc/39/73/10/1119397310.db2.gz	NWWBJEVVUQCZQZ-UHFFFAOYSA-N	-1	0	298.367	3.859	20	30		CHEDRM
Cc1ccc(Nc2ccc(CC#N)cc2)cc1C(=O)[O-]	ZINC001211601570	1119428271	/nfs/dbraw/zinc/42/82/71/1119428271.db2.gz	BLVNYDOSFKHYIL-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1ccc(Nc2cc(Cl)cc(C#N)c2)cc1C(=O)[O-]	ZINC001211606107	1119452856	/nfs/dbraw/zinc/45/28/56/1119452856.db2.gz	HEGREMMHLONCCE-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1csc(/C=C2\CCc3cc(O)ccc3C2=O)c1	ZINC000176844178	1119541023	/nfs/dbraw/zinc/54/10/23/1119541023.db2.gz	CCOCTDYJGAWBCZ-KPKJPENVSA-N	-1	0	281.336	3.538	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1	ZINC000647374990	1119702118	/nfs/dbraw/zinc/70/21/18/1119702118.db2.gz	PRSVIEDHIKVTQG-CYBMUJFWSA-N	-1	0	282.368	3.819	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000255696897	1119729480	/nfs/dbraw/zinc/72/94/80/1119729480.db2.gz	RYBMTHZFINKDHT-TWGQIWQCSA-N	-1	0	283.283	3.505	20	30		CHEDRM
CC[C@H](Cc1ccccc1-c1ccc(C#N)s1)C(=O)[O-]	ZINC000579973006	1119858111	/nfs/dbraw/zinc/85/81/11/1119858111.db2.gz	RYFASFGLIKAXAQ-LLVKDONJSA-N	-1	0	285.368	3.940	20	30		CHEDRM
CC(=NN1CCCC[C@H]1C)[C@@H](C)CCCCC(=O)[O-]	ZINC000853381482	1120216749	/nfs/dbraw/zinc/21/67/49/1120216749.db2.gz	DJDPKLGICPPLSH-QWHCGFSZSA-N	-1	0	268.401	3.518	20	30		CHEDRM
N#CC1CCC(COC(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000922170963	1120444472	/nfs/dbraw/zinc/44/44/72/1120444472.db2.gz	GHURQFZRHCQTEI-UHFFFAOYSA-N	-1	0	293.750	3.532	20	30		CHEDRM
CC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001211660760	1120663133	/nfs/dbraw/zinc/66/31/33/1120663133.db2.gz	JSOPBZGZFDXNPL-UHFFFAOYSA-N	-1	0	294.310	3.511	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212512299	1120701844	/nfs/dbraw/zinc/70/18/44/1120701844.db2.gz	GIBZVCQFJRTMMS-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1sccc1[O-]	ZINC000191478191	1128934869	/nfs/dbraw/zinc/93/48/69/1128934869.db2.gz	DJLZDUCGZSZKGY-VOTSOKGWSA-N	-1	0	296.351	3.740	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)c(Cl)c1	ZINC001174807186	1121054673	/nfs/dbraw/zinc/05/46/73/1121054673.db2.gz	HEXKHNSGKDUUFT-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953385	1121109390	/nfs/dbraw/zinc/10/93/90/1121109390.db2.gz	BNLHOWACURAATE-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(F)cc(C#N)cc1F	ZINC001174982666	1121140982	/nfs/dbraw/zinc/14/09/82/1121140982.db2.gz	ROKXRUNHDQHDCJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C)cc(C#N)cc1C	ZINC001174982422	1121141137	/nfs/dbraw/zinc/14/11/37/1121141137.db2.gz	OFSNVIKHELAZHG-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(F)c(CC#N)c1	ZINC001174986917	1121142533	/nfs/dbraw/zinc/14/25/33/1121142533.db2.gz	VNRCHZTWBKINSE-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
CCOc1ccc(F)cc1Nc1scc([O-])c1C#N	ZINC001175080161	1121175814	/nfs/dbraw/zinc/17/58/14/1121175814.db2.gz	WTASBVCMYOYUAK-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175157538	1121187737	/nfs/dbraw/zinc/18/77/37/1121187737.db2.gz	HAGVECFPIYPWML-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1ccc(C)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175162861	1121210575	/nfs/dbraw/zinc/21/05/75/1121210575.db2.gz	ABEXMMUIROTQOV-UHFFFAOYSA-N	-1	0	256.280	3.763	20	30		CHEDRM
CCOc1cc(Nc2scc([O-])c2C#N)c(F)cc1F	ZINC001212529870	1121219395	/nfs/dbraw/zinc/21/93/95/1121219395.db2.gz	XJKCUBMFLXMYBR-UHFFFAOYSA-N	-1	0	296.298	3.746	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175218810	1121228241	/nfs/dbraw/zinc/22/82/41/1121228241.db2.gz	MJSMHEUGJZPGSH-UHFFFAOYSA-N	-1	0	284.290	3.702	20	30		CHEDRM
C#C[C@@H](CCCC)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223593786	1121267151	/nfs/dbraw/zinc/26/71/51/1121267151.db2.gz	ODFOSXCSNXWLNM-YXNALHSASA-N	-1	0	265.740	3.684	20	30		CHEDRM
Cn1ccc2c1cccc2Nc1scc([O-])c1C#N	ZINC001175867055	1121485612	/nfs/dbraw/zinc/48/56/12/1121485612.db2.gz	SCGVEKXDIOZHSS-UHFFFAOYSA-N	-1	0	269.329	3.561	20	30		CHEDRM
N#Cc1cc(Nc2ccccc2OC(F)F)c([O-])cc1F	ZINC001176013396	1121524991	/nfs/dbraw/zinc/52/49/91/1121524991.db2.gz	NDPHGGTUMWXGHL-UHFFFAOYSA-N	-1	0	294.232	3.748	20	30		CHEDRM
Cc1csc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001176591417	1121648631	/nfs/dbraw/zinc/64/86/31/1121648631.db2.gz	HZMYDOANWULHDQ-QPJJXVBHSA-N	-1	0	284.340	3.770	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176588394	1121649102	/nfs/dbraw/zinc/64/91/02/1121649102.db2.gz	LNNMTDLFEJJXEO-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
Cc1oc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1C	ZINC001176590502	1121649243	/nfs/dbraw/zinc/64/92/43/1121649243.db2.gz	ZCDXFLSCDDFINC-VMPITWQZSA-N	-1	0	282.299	3.610	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176592530	1121649849	/nfs/dbraw/zinc/64/98/49/1121649849.db2.gz	HDTWIPDCQHZFFS-UXBLZVDNSA-N	-1	0	292.338	3.962	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176592566	1121650024	/nfs/dbraw/zinc/65/00/24/1121650024.db2.gz	JASOETXDRAIMIW-RMKNXTFCSA-N	-1	0	282.274	3.539	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176597491	1121667860	/nfs/dbraw/zinc/66/78/60/1121667860.db2.gz	QYBMEIIILGMCMM-QPJJXVBHSA-N	-1	0	296.301	3.847	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176712534	1121690535	/nfs/dbraw/zinc/69/05/35/1121690535.db2.gz	FXJSNJHDXHYRGP-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
N#CCc1c[nH]c2cccc(-c3csc(C(=O)[O-])c3)c12	ZINC001206291459	1121703117	/nfs/dbraw/zinc/70/31/17/1121703117.db2.gz	PMGPYOJTGVDCAG-UHFFFAOYSA-N	-1	0	282.324	3.661	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(Cl)s1	ZINC000812441942	1121743577	/nfs/dbraw/zinc/74/35/77/1121743577.db2.gz	JPKRROXUYCQTNM-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)cc2F)s1	ZINC000730588652	1121815155	/nfs/dbraw/zinc/81/51/55/1121815155.db2.gz	BWRYICNAUXOLAI-RQOWECAXSA-N	-1	0	294.278	3.621	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1C	ZINC000731156879	1121850542	/nfs/dbraw/zinc/85/05/42/1121850542.db2.gz	OHXICVXSVNONPZ-VOTSOKGWSA-N	-1	0	286.352	3.959	20	30		CHEDRM
C=CCNC(=S)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000731321666	1121860767	/nfs/dbraw/zinc/86/07/67/1121860767.db2.gz	QENZQHMZTPPUSH-LLVKDONJSA-N	-1	0	291.445	3.553	20	30		CHEDRM
CNc1ccc(C#N)cc1Nc1cc(Cl)c([O-])cc1F	ZINC001250025714	1122091135	/nfs/dbraw/zinc/09/11/35/1122091135.db2.gz	GJKUIJZYGLEUJF-UHFFFAOYSA-N	-1	0	291.713	3.842	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774114266	1122128752	/nfs/dbraw/zinc/12/87/52/1122128752.db2.gz	HPWWPPUDOCEYPC-KTKRTIGZSA-N	-1	0	266.296	3.589	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)[O-])c1)CC2	ZINC000774135727	1122132702	/nfs/dbraw/zinc/13/27/02/1122132702.db2.gz	MITBWDATEAQVCE-GDNBJRDFSA-N	-1	0	292.334	3.906	20	30		CHEDRM
CC(C)[C@H](C(=O)Nc1ccc(C#N)cc1O)c1ccccc1	ZINC001183577290	1122230620	/nfs/dbraw/zinc/23/06/20/1122230620.db2.gz	WWBGXEDEYRKUOY-KRWDZBQOSA-N	-1	0	294.354	3.642	20	30		CHEDRM
CCCCCCCNC(=O)Nc1cc([O-])c(F)c(F)c1	ZINC001191106896	1122573492	/nfs/dbraw/zinc/57/34/92/1122573492.db2.gz	VWOQSCCNTNWNGV-UHFFFAOYSA-N	-1	0	286.322	3.762	20	30		CHEDRM
C=CCN(C(=O)c1ccc(F)c(F)c1[O-])C1CCCCC1	ZINC001192806964	1122658834	/nfs/dbraw/zinc/65/88/34/1122658834.db2.gz	OCZKMDXVPSUNJS-UHFFFAOYSA-N	-1	0	295.329	3.631	20	30		CHEDRM
N#Cc1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1	ZINC001250587285	1122788346	/nfs/dbraw/zinc/78/83/46/1122788346.db2.gz	IKYPBZHJADZWCL-UHFFFAOYSA-N	-1	0	279.217	3.829	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201223667	1123081324	/nfs/dbraw/zinc/08/13/24/1123081324.db2.gz	DUVRXWSUJBSXHB-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
CC(C)(C)c1nsc([N-]c2ccc(C#N)cc2F)n1	ZINC001201555898	1123119504	/nfs/dbraw/zinc/11/95/04/1123119504.db2.gz	OXIBERARMPQNTL-UHFFFAOYSA-N	-1	0	276.340	3.590	20	30		CHEDRM
CC(C)(C)c1noc([N-]c2ccc(C#N)cc2F)c1C#N	ZINC001201561311	1123124233	/nfs/dbraw/zinc/12/42/33/1123124233.db2.gz	UFLHUQLLKYIHQW-UHFFFAOYSA-N	-1	0	284.294	3.598	20	30		CHEDRM
Cc1cc(C)cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000049372009	1123243694	/nfs/dbraw/zinc/24/36/94/1123243694.db2.gz	CVCVHIDMOWFFJV-ONEGZZNKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(C#N)cc1	ZINC000007333207	1123248956	/nfs/dbraw/zinc/24/89/56/1123248956.db2.gz	FZMIFUNJXKRTKM-SEEODLKFSA-N	-1	0	293.297	3.786	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c(C)c1	ZINC000007333332	1123249126	/nfs/dbraw/zinc/24/91/26/1123249126.db2.gz	DJLJPZUAWQJGPM-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000474432170	1123529107	/nfs/dbraw/zinc/52/91/07/1123529107.db2.gz	LZJRCMWNLDIEFM-UHFFFAOYSA-N	-1	0	283.730	3.892	20	30		CHEDRM
C[C@H]1C[C@@H](C([O-])=Nc2cccc(-c3cnco3)c2)CC(=O)N1	ZINC000329433050	1123611468	/nfs/dbraw/zinc/61/14/68/1123611468.db2.gz	KZYIRWJMTPQSHP-CMPLNLGQSA-N	-1	0	299.330	3.685	20	30		CHEDRM
CC(C)CCCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000863118220	1123846256	/nfs/dbraw/zinc/84/62/56/1123846256.db2.gz	RDZDCYSFVXBAON-UHFFFAOYSA-N	-1	0	266.316	3.748	20	30		CHEDRM
CC1(C)CCC/C(=C/c2ccc(F)c(C(=O)[O-])c2)C1=O	ZINC000863186623	1123850125	/nfs/dbraw/zinc/85/01/25/1123850125.db2.gz	FHIKLTXWUHMWRQ-FLIBITNWSA-N	-1	0	276.307	3.687	20	30		CHEDRM
CC1(C)CCC/C(=C\c2ccc(F)c(C(=O)[O-])c2)C1=O	ZINC000863186622	1123850484	/nfs/dbraw/zinc/85/04/84/1123850484.db2.gz	FHIKLTXWUHMWRQ-DHZHZOJOSA-N	-1	0	276.307	3.687	20	30		CHEDRM
C[C@@H]1CSC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000794676225	1123926751	/nfs/dbraw/zinc/92/67/51/1123926751.db2.gz	KUSSKBMVKLJZGY-LNAFZJSBSA-N	-1	0	290.215	3.869	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2c2ccccn2)cc1	ZINC000794856568	1124001171	/nfs/dbraw/zinc/00/11/71/1124001171.db2.gz	JFAOJYYFULTOAD-AWEZNQCLSA-N	-1	0	295.342	3.515	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)o1	ZINC000794940021	1124093544	/nfs/dbraw/zinc/09/35/44/1124093544.db2.gz	VJWRYSFZVAGCRL-WAYWQWQTSA-N	-1	0	284.311	3.799	20	30		CHEDRM
Cc1cncc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000794945203	1124094113	/nfs/dbraw/zinc/09/41/13/1124094113.db2.gz	KXMZSQBFIQNUCU-PLNGDYQASA-N	-1	0	295.338	3.601	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H](C)c1ccncc1	ZINC000819819202	1131266566	/nfs/dbraw/zinc/26/65/66/1131266566.db2.gz	UANOPJOSNSIGJP-AWEZNQCLSA-N	-1	0	291.395	3.533	20	30		CHEDRM
N#Cc1nccc2cc(-c3ccc(C(=O)[O-])cc3F)ccc21	ZINC001239266332	1131308628	/nfs/dbraw/zinc/30/86/28/1131308628.db2.gz	CTCMNPNCLHGLDM-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
Cc1coc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C	ZINC001122093383	1131297204	/nfs/dbraw/zinc/29/72/04/1131297204.db2.gz	MAQHXLPJXQRNBG-NSHDSACASA-N	-1	0	296.351	3.996	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])cc3F)nc2)CCC1	ZINC001239245342	1131306822	/nfs/dbraw/zinc/30/68/22/1131306822.db2.gz	LLMDUHHJPDBKTD-UHFFFAOYSA-N	-1	0	296.301	3.531	20	30		CHEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)c(C)s1	ZINC000760217688	1125304160	/nfs/dbraw/zinc/30/41/60/1125304160.db2.gz	HXVFGYSORBLJAP-UHFFFAOYSA-N	-1	0	274.345	3.509	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)s1	ZINC000008080291	1125348706	/nfs/dbraw/zinc/34/87/06/1125348706.db2.gz	KVZCJHXCTOVZMB-VMPITWQZSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1ccc(C)c(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000213229658	1125359076	/nfs/dbraw/zinc/35/90/76/1125359076.db2.gz	DNHMHGYBPRVOGA-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
C=CCNC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1[O-]	ZINC001202574361	1125434207	/nfs/dbraw/zinc/43/42/07/1125434207.db2.gz	MQPNOYBYOJJQIY-UHFFFAOYSA-N	-1	0	295.553	3.660	20	30		CHEDRM
C[C@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)C1	ZINC000739426360	1129403957	/nfs/dbraw/zinc/40/39/57/1129403957.db2.gz	KMNIKXLAHOSRIV-OOIWVLDFSA-N	-1	0	276.336	3.544	20	30		CHEDRM
C=C(C)CCc1noc(-c2cccc(Cl)c2[O-])n1	ZINC000795763596	1129447823	/nfs/dbraw/zinc/44/78/23/1129447823.db2.gz	AZVMMHAXBLLWFF-UHFFFAOYSA-N	-1	0	264.712	3.604	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1	ZINC000741845675	1129456109	/nfs/dbraw/zinc/45/61/09/1129456109.db2.gz	VIEUCVCOPHQGGB-UUMQHJJASA-N	-1	0	288.347	3.688	20	30		CHEDRM
CCN(CC)c1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001212969058	1129637454	/nfs/dbraw/zinc/63/74/54/1129637454.db2.gz	KCDXSZFZTPAPGF-UHFFFAOYSA-N	-1	0	287.388	3.915	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1C#N	ZINC000766491827	1129670424	/nfs/dbraw/zinc/67/04/24/1129670424.db2.gz	RMLYZHACSDDGJN-ZZXKWVIFSA-N	-1	0	281.286	3.608	20	30		CHEDRM
Cc1ccc(Nc2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001212592237	1129743666	/nfs/dbraw/zinc/74/36/66/1129743666.db2.gz	GBFBCPVNWTVDMJ-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
CC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001212594024	1129750531	/nfs/dbraw/zinc/75/05/31/1129750531.db2.gz	PTXJFMGGTCEJQR-UHFFFAOYSA-N	-1	0	286.718	3.863	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC1CC1	ZINC000115901601	1129842997	/nfs/dbraw/zinc/84/29/97/1129842997.db2.gz	DGNUSVCASXENAB-AWEZNQCLSA-N	-1	0	294.354	3.558	20	30		CHEDRM
Cc1ccc(Nc2cccc(Cl)c2C#N)cc1C(=O)[O-]	ZINC000110989121	1129843786	/nfs/dbraw/zinc/84/37/86/1129843786.db2.gz	AREVMIPMGMZSQV-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(C#N)ccc1-c1nc[n-]c2nc(=S)sc1-2	ZINC001242472222	1129861057	/nfs/dbraw/zinc/86/10/57/1129861057.db2.gz	QAZRXSRAQSWVCB-UHFFFAOYSA-N	-1	0	284.369	3.548	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCCC(F)(F)C2)c1	ZINC000800721400	1129886008	/nfs/dbraw/zinc/88/60/08/1129886008.db2.gz	MKQMKQYKZOIJBD-LGQZLYSRSA-N	-1	0	298.289	3.545	20	30		CHEDRM
C[C@@H]1CC[C@H](CN=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000800805134	1129889722	/nfs/dbraw/zinc/88/97/22/1129889722.db2.gz	JOBKMPYEGRPYCV-ZJUUUORDSA-N	-1	0	280.755	3.872	20	30		CHEDRM
C=CCC[C@@H](C)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000901945333	1129967291	/nfs/dbraw/zinc/96/72/91/1129967291.db2.gz	JLYJYXFBSVXPSV-BYCMXARLSA-N	-1	0	259.349	3.641	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cnc3ccc(C)cn23)c([O-])c1	ZINC000771859571	1129994065	/nfs/dbraw/zinc/99/40/65/1129994065.db2.gz	NTSJJTCLKMIRNJ-FNORWQNLSA-N	-1	0	292.338	3.553	20	30		CHEDRM
N#Cc1ccc(-c2cccc([S-])c2)c2cc[nH]c21	ZINC001242867602	1130110634	/nfs/dbraw/zinc/11/06/34/1130110634.db2.gz	LVULBGXJTMXDEN-UHFFFAOYSA-N	-1	0	250.326	3.995	20	30		CHEDRM
O=C([O-])[C@@H]1CCC(=NOC2CCCCC2)c2ccccc21	ZINC000789051528	1130229341	/nfs/dbraw/zinc/22/93/41/1130229341.db2.gz	RUJGPJZJMXMZEQ-OAHLLOKOSA-N	-1	0	287.359	3.702	20	30		CHEDRM
C#C[C@H](CCC)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000790098279	1130290694	/nfs/dbraw/zinc/29/06/94/1130290694.db2.gz	FYWKIWHUIMGIAC-OUZNOSRWSA-N	-1	0	270.159	3.920	20	30		CHEDRM
COc1ccc(F)c(F)c1-c1cc(/C=N/[O-])ccc1F	ZINC001240437110	1130312456	/nfs/dbraw/zinc/31/24/56/1130312456.db2.gz	YBLADFJOIZWVDY-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240549501	1130352406	/nfs/dbraw/zinc/35/24/06/1130352406.db2.gz	LJGXCOZDGPWROB-QPJJXVBHSA-N	-1	0	281.286	3.657	20	30		CHEDRM
CO/N=C/c1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1F	ZINC001240550877	1130353989	/nfs/dbraw/zinc/35/39/89/1130353989.db2.gz	PMSBNCNBMCKLLV-CEGJKDKLSA-N	-1	0	299.301	3.571	20	30		CHEDRM
COc1cc(-c2ccc(/C=N/[O-])c(F)c2)cc(F)c1F	ZINC001240662235	1130407119	/nfs/dbraw/zinc/40/71/19/1130407119.db2.gz	MELNRLRLUDULAI-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(C2(C#N)CC2)c1	ZINC001240737809	1130448121	/nfs/dbraw/zinc/44/81/21/1130448121.db2.gz	NNRTWNTUZGLDIH-UHFFFAOYSA-N	-1	0	293.322	3.616	20	30		CHEDRM
C=CCOCc1cccc(-c2ccc(C(=O)[O-])c(OC)c2)c1	ZINC001240746316	1130452394	/nfs/dbraw/zinc/45/23/94/1130452394.db2.gz	GJSVHODLSNAOEQ-UHFFFAOYSA-N	-1	0	298.338	3.763	20	30		CHEDRM
N#Cc1c(-c2ccc([O-])c(F)c2)ccc2ncccc12	ZINC001240791276	1130474067	/nfs/dbraw/zinc/47/40/67/1130474067.db2.gz	XUJQISPNVFMWCN-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
Cc1oc2ccccc2c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000758082667	1130596960	/nfs/dbraw/zinc/59/69/60/1130596960.db2.gz	FCQROFUSUFIYLQ-UHFFFAOYSA-N	-1	0	294.310	3.885	20	30		CHEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)C2	ZINC000811692562	1130638283	/nfs/dbraw/zinc/63/82/83/1130638283.db2.gz	BXRPLWGADKOGAI-ACAGNQJTSA-N	-1	0	295.725	3.740	20	30		CHEDRM
CC(=NOC1CCC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000812236414	1130676661	/nfs/dbraw/zinc/67/66/61/1130676661.db2.gz	LYKSYCNIPABCLM-UHFFFAOYSA-N	-1	0	274.147	3.992	20	30		CHEDRM
COc1cc(C)ccc1C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000812446166	1130691061	/nfs/dbraw/zinc/69/10/61/1130691061.db2.gz	QGJBXHJZNLSEMI-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
Cc1cc(C)c(C=NNc2ccccc2C(=O)[O-])c(C)c1	ZINC000812442041	1130691254	/nfs/dbraw/zinc/69/12/54/1130691254.db2.gz	NQRNRHNSIWSQMB-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
N#Cc1cc2cc(-c3ccc(/C=C/C(=O)[O-])cc3)ccc2[nH]1	ZINC001235532072	1130752195	/nfs/dbraw/zinc/75/21/95/1130752195.db2.gz	PJMQPRXLYBZDIO-FPYGCLRLSA-N	-1	0	288.306	3.804	20	30		CHEDRM
N#CCc1ccc(F)c(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235622869	1130758861	/nfs/dbraw/zinc/75/88/61/1130758861.db2.gz	MJYMKKDJCHCJOZ-XBXARRHUSA-N	-1	0	281.286	3.657	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccnc(Cl)c1	ZINC000782192882	1130759744	/nfs/dbraw/zinc/75/97/44/1130759744.db2.gz	CDWDPUUTWOCQGB-UPHRSURJSA-N	-1	0	295.672	3.615	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)C2CCCCC2)c1	ZINC000782201280	1130762300	/nfs/dbraw/zinc/76/23/00/1130762300.db2.gz	SEOKKGJWZIXCMF-VOTSOKGWSA-N	-1	0	264.346	3.609	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cccc(F)c2F)c1	ZINC000782208303	1130762984	/nfs/dbraw/zinc/76/29/84/1130762984.db2.gz	VXACMYMKEPFMKO-PLNGDYQASA-N	-1	0	294.278	3.621	20	30		CHEDRM
N#CCc1c(F)cccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235692778	1130769890	/nfs/dbraw/zinc/76/98/90/1130769890.db2.gz	VKQIPKNFGPEWBG-RMKNXTFCSA-N	-1	0	281.286	3.657	20	30		CHEDRM
Cc1nc(-c2cc(Cl)ccc2[O-])c(C#N)c(C)c1C	ZINC001245050036	1130773716	/nfs/dbraw/zinc/77/37/16/1130773716.db2.gz	ADDLUORCTJKAQH-UHFFFAOYSA-N	-1	0	272.735	3.905	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3c(F)cc(F)c([O-])c3F)ccc12	ZINC001235997076	1130828118	/nfs/dbraw/zinc/82/81/18/1130828118.db2.gz	ONGBOQBHRIJPMV-UHFFFAOYSA-N	-1	0	288.228	3.829	20	30		CHEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])cc2)c2sccc21	ZINC001236058042	1130843699	/nfs/dbraw/zinc/84/36/99/1130843699.db2.gz	IKDPYFVXVRYEEZ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2\Cc3ccccc3C2=O)c(Cl)c1	ZINC000783696156	1130848371	/nfs/dbraw/zinc/84/83/71/1130848371.db2.gz	FMJKFIIZCJUWFO-MDWZMJQESA-N	-1	0	298.725	3.861	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccco2)c(Cl)c1	ZINC000783710009	1130851631	/nfs/dbraw/zinc/85/16/31/1130851631.db2.gz	YSWLXKFGYIRXHZ-AATRIKPKSA-N	-1	0	276.675	3.527	20	30		CHEDRM
N#CCc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)cc1	ZINC001236154109	1130877349	/nfs/dbraw/zinc/87/73/49/1130877349.db2.gz	YPUCPQZVYMLLNJ-UHFFFAOYSA-N	-1	0	289.693	3.910	20	30		CHEDRM
N#CCc1cccc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001236154011	1130877442	/nfs/dbraw/zinc/87/74/42/1130877442.db2.gz	WEZYDSWKJFDBPY-UHFFFAOYSA-N	-1	0	289.693	3.910	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(Cl)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814683748	1130895100	/nfs/dbraw/zinc/89/51/00/1130895100.db2.gz	OGBAOHPUHBTXNH-VHSXEESVSA-N	-1	0	280.755	3.629	20	30		CHEDRM
C=CCCC(CCC)N=Nc1cccc(C(=O)[O-])c1	ZINC000814687250	1130895809	/nfs/dbraw/zinc/89/58/09/1130895809.db2.gz	DLSOUIAOSBQTBZ-UHFFFAOYSA-N	-1	0	260.337	3.919	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(Cl)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814683749	1130895840	/nfs/dbraw/zinc/89/58/40/1130895840.db2.gz	OGBAOHPUHBTXNH-ZJUUUORDSA-N	-1	0	280.755	3.629	20	30		CHEDRM
C[C@H]1CC(N=Nc2ccc3ccccc3n2)CC[C@@H]1C(=O)[O-]	ZINC000814697608	1130896970	/nfs/dbraw/zinc/89/69/70/1130896970.db2.gz	VNBPAKLNCGLQFT-FZMZJTMJSA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1ccc(F)c(-c2ncc(C#N)c3ccsc32)c1[O-]	ZINC001236390715	1130925490	/nfs/dbraw/zinc/92/54/90/1130925490.db2.gz	HCWFUAJJNDGIME-UHFFFAOYSA-N	-1	0	284.315	3.988	20	30		CHEDRM
Cc1ccc(F)c(-c2nc(C(F)(F)F)ccc2C#N)c1[O-]	ZINC001236392806	1130926376	/nfs/dbraw/zinc/92/63/76/1130926376.db2.gz	RJYPRDNPEVWOGE-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
Cc1ccc(F)c(-c2nc(C(C)C)ccc2C#N)c1[O-]	ZINC001236391535	1130926456	/nfs/dbraw/zinc/92/64/56/1130926456.db2.gz	OANAEZYZXVJCAM-UHFFFAOYSA-N	-1	0	270.307	3.897	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1ccncc1C(F)(F)F	ZINC001245447587	1130976345	/nfs/dbraw/zinc/97/63/45/1130976345.db2.gz	QVMHWVOHNMYPCC-UHFFFAOYSA-N	-1	0	266.222	3.576	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1nc2ccccc2[nH]1	ZINC000815898314	1131030739	/nfs/dbraw/zinc/03/07/39/1131030739.db2.gz	ZEPZBKLDVCYLGJ-NSHDSACASA-N	-1	0	283.306	3.537	20	30		CHEDRM
O=C(C=Cc1ccc(N2CCCC2)cc1)c1sccc1[O-]	ZINC001116817023	1131165513	/nfs/dbraw/zinc/16/55/13/1131165513.db2.gz	NQKIZXWHLMXRHH-YVMONPNESA-N	-1	0	299.395	3.950	20	30		CHEDRM
C=CC[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC000844590430	1131582954	/nfs/dbraw/zinc/58/29/54/1131582954.db2.gz	WAEAPZMIGSHGEF-NSHDSACASA-N	-1	0	288.347	3.538	20	30		CHEDRM
C=CC[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000844623518	1131586060	/nfs/dbraw/zinc/58/60/60/1131586060.db2.gz	OHZXRKQZCBAPHI-LBPRGKRZSA-N	-1	0	272.348	3.837	20	30		CHEDRM
C=CC[C@H](C)C(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623832	1131586919	/nfs/dbraw/zinc/58/69/19/1131586919.db2.gz	MWSSZRXHGZEVID-JTQLQIEISA-N	-1	0	260.337	3.693	20	30		CHEDRM
CC[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623827	1131587055	/nfs/dbraw/zinc/58/70/55/1131587055.db2.gz	MUVYYIFOUTXYHJ-LLVKDONJSA-N	-1	0	260.337	3.671	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC000835009154	1131753991	/nfs/dbraw/zinc/75/39/91/1131753991.db2.gz	ORVIVQHBUWYFBI-UHFFFAOYSA-N	-1	0	278.327	3.892	20	30		CHEDRM
CC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009853	1131754385	/nfs/dbraw/zinc/75/43/85/1131754385.db2.gz	FSFOXPSEAXSGBP-SECBINFHSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C[C@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010308	1131754943	/nfs/dbraw/zinc/75/49/43/1131754943.db2.gz	WWPXJZNESLXNOM-QWRGUYRKSA-N	-1	0	278.327	3.748	20	30		CHEDRM
C[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012884	1131755120	/nfs/dbraw/zinc/75/51/20/1131755120.db2.gz	YVERNQCEEUXDHZ-SECBINFHSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]ncc(=O)c1Cl	ZINC001228390939	1131874467	/nfs/dbraw/zinc/87/44/67/1131874467.db2.gz	QAXZSAZYIWKRCO-JBLDHEPKSA-N	-1	0	282.771	3.595	20	30		CHEDRM
O=C(C=Cc1c(F)cccc1F)c1sccc1[O-]	ZINC000773142925	1131959694	/nfs/dbraw/zinc/95/96/94/1131959694.db2.gz	ITNTYMXAMJHCAG-SNAWJCMRSA-N	-1	0	266.268	3.628	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@H](C)c1cccnc1F	ZINC001229737558	1132112234	/nfs/dbraw/zinc/11/22/34/1132112234.db2.gz	AYPDCUBFODSVGD-VDCVXVNISA-N	-1	0	274.295	3.559	20	30		CHEDRM
C=C[C@@H](CC)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229798370	1132119458	/nfs/dbraw/zinc/11/94/58/1132119458.db2.gz	WTCGPJOLPMFLFS-LBPRGKRZSA-N	-1	0	296.322	3.995	20	30		CHEDRM
N#C[C@H](Oc1cccc2oc(=S)[n-]c21)c1ccccc1	ZINC001231066353	1132252197	/nfs/dbraw/zinc/25/21/97/1132252197.db2.gz	XJQUXHFYWLBACJ-ZDUSSCGKSA-N	-1	0	282.324	3.760	20	30		CHEDRM
CC1(C)OCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840705174	1132271362	/nfs/dbraw/zinc/27/13/62/1132271362.db2.gz	CINASQXALJGIRP-CRZGJZTJSA-N	-1	0	288.174	3.685	20	30		CHEDRM
Cc1coc(NC(=O)c2c([O-])ccc3ccccc32)c1C#N	ZINC001153499586	1132594787	/nfs/dbraw/zinc/59/47/87/1132594787.db2.gz	YOAXPESNOKBCQF-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc2cnccc21	ZINC001174136822	1132742976	/nfs/dbraw/zinc/74/29/76/1132742976.db2.gz	ZDKZYMURDBVPMG-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
C#Cc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174496985	1132862979	/nfs/dbraw/zinc/86/29/79/1132862979.db2.gz	YJCMKNQXTWQLQM-MDZDMXLPSA-N	-1	0	263.296	3.509	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1Nc1c(C)cc(C#N)cc1C	ZINC001174677834	1132944939	/nfs/dbraw/zinc/94/49/39/1132944939.db2.gz	RVIFCRWYXHBEEI-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
COc1cc(Nc2c(C)cc(C#N)cc2C)ccc1C(=O)[O-]	ZINC001174685217	1132947199	/nfs/dbraw/zinc/94/71/99/1132947199.db2.gz	LRGJRFUMZSRKAR-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1	ZINC001164450805	1133219525	/nfs/dbraw/zinc/21/95/25/1133219525.db2.gz	HDFZKWSKGUDTFE-UHFFFAOYSA-N	-1	0	293.794	3.776	20	30		CHEDRM
Cc1cc(C)cc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1	ZINC001204645011	1133471400	/nfs/dbraw/zinc/47/14/00/1133471400.db2.gz	XCZMPWUINXGACO-UHFFFAOYSA-N	-1	0	293.346	3.556	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1ccsc1C(=O)[O-]	ZINC001205542577	1133587432	/nfs/dbraw/zinc/58/74/32/1133587432.db2.gz	LDRJTOVJVINNCS-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1ccc2ccnc(-c3csc(C(=O)[O-])c3)c2c1	ZINC001206250107	1133676129	/nfs/dbraw/zinc/67/61/29/1133676129.db2.gz	IBYLECWCUCGKIY-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1cc(-c2csc(C(=O)[O-])c2)nc2ccccc12	ZINC001206257118	1133677724	/nfs/dbraw/zinc/67/77/24/1133677724.db2.gz	RBYXUVHIUSUTSW-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1ccc(Nc2c(Cl)ccc([O-])c2Cl)cn1	ZINC001209615338	1134039781	/nfs/dbraw/zinc/03/97/81/1134039781.db2.gz	BQKUGOBOUIQBRH-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1ccc(Nc2ccc3[n-]c(=S)sc3c2)cn1	ZINC001209594488	1134040932	/nfs/dbraw/zinc/04/09/32/1134040932.db2.gz	ZNYKJVHJKMLZSX-UHFFFAOYSA-N	-1	0	284.369	3.595	20	30		CHEDRM
Cc1csc(Nc2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001209887769	1134095486	/nfs/dbraw/zinc/09/54/86/1134095486.db2.gz	PNWGWHYOGFIZCR-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001209888968	1134096290	/nfs/dbraw/zinc/09/62/90/1134096290.db2.gz	IIBDISYMTGIAAZ-SNVBAGLBSA-N	-1	0	284.290	3.895	20	30		CHEDRM
N#Cc1cc(Nc2cnccc2C(F)(F)F)c([O-])cc1F	ZINC001210096638	1134144945	/nfs/dbraw/zinc/14/49/45/1134144945.db2.gz	COUZXMATCZKBLN-UHFFFAOYSA-N	-1	0	297.211	3.560	20	30		CHEDRM
Cc1csc(Nc2cccc(C(=O)[O-])c2F)c1C#N	ZINC001210239765	1134175829	/nfs/dbraw/zinc/17/58/29/1134175829.db2.gz	WDRCHVUBDJDQQE-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210242765	1134177031	/nfs/dbraw/zinc/17/70/31/1134177031.db2.gz	QRHUCIPOWLRGER-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc2cc(F)ccc2o1	ZINC001210726124	1134283096	/nfs/dbraw/zinc/28/30/96/1134283096.db2.gz	FXMJBVLQLXLPQE-UHFFFAOYSA-N	-1	0	274.276	3.954	20	30		CHEDRM
Cc1cccc(Nc2cccc([O-])c2Cl)c1C#N	ZINC001210854436	1134311966	/nfs/dbraw/zinc/31/19/66/1134311966.db2.gz	WPHRDYNUWXUGQN-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)C(=O)CCC2	ZINC001210931566	1134330680	/nfs/dbraw/zinc/33/06/80/1134330680.db2.gz	RSXYDXIDWJQNKH-UHFFFAOYSA-N	-1	0	284.340	3.588	20	30		CHEDRM
COc1ccc(Nc2cccc([S-])c2)c(C#N)c1	ZINC001210947053	1134335062	/nfs/dbraw/zinc/33/50/62/1134335062.db2.gz	CCRHTJMJEWZCLU-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
COc1c(Nc2c(C)ccc(C)c2C#N)cccc1C(=O)[O-]	ZINC001211040195	1134353673	/nfs/dbraw/zinc/35/36/73/1134353673.db2.gz	FPBYCEDSNYJJAS-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
CCOc1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001211055631	1134358546	/nfs/dbraw/zinc/35/85/46/1134358546.db2.gz	PCCSKFKNIZPEBA-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
N#Cc1cc(Nc2c([S-])cccc2Cl)ccc1N	ZINC001213443701	1134448752	/nfs/dbraw/zinc/44/87/52/1134448752.db2.gz	YZNMXYRINQZHMN-UHFFFAOYSA-N	-1	0	275.764	3.826	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cc(OC)cc(C(=O)[O-])c1	ZINC001213590893	1134466368	/nfs/dbraw/zinc/46/63/68/1134466368.db2.gz	KLYOENIIFJKZBZ-UHFFFAOYSA-N	-1	0	296.326	3.571	20	30		CHEDRM
Cc1cc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc2[nH]1	ZINC001213795721	1134485608	/nfs/dbraw/zinc/48/56/08/1134485608.db2.gz	NVJMJGICKAIXFM-UHFFFAOYSA-N	-1	0	281.290	3.936	20	30		CHEDRM
COc1ccc(C#N)c(Nc2cc(F)c([O-])c(Cl)c2)c1	ZINC001214490601	1134545142	/nfs/dbraw/zinc/54/51/42/1134545142.db2.gz	YLNGKAGSICHOCA-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1cnc(C#N)c(Nc2c(Cl)ccc([O-])c2F)c1	ZINC001214555940	1134551171	/nfs/dbraw/zinc/55/11/71/1134551171.db2.gz	BNDXZFBVXGIKBW-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)c(C#N)c1	ZINC001214806570	1134576247	/nfs/dbraw/zinc/57/62/47/1134576247.db2.gz	HUKJYLIHURRLSV-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1C#N	ZINC001215276253	1134613544	/nfs/dbraw/zinc/61/35/44/1134613544.db2.gz	ABDWOGTUJBQBKS-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(F)cc(-c2noc(-c3ccc([S-])cc3)n2)c1	ZINC001215307735	1134616406	/nfs/dbraw/zinc/61/64/06/1134616406.db2.gz	HRBXLFXNPISTDT-UHFFFAOYSA-N	-1	0	297.314	3.703	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(F)c(F)c(C(=O)[O-])c2)s1	ZINC001215457623	1134629640	/nfs/dbraw/zinc/62/96/40/1134629640.db2.gz	KDZYAPBEVZQKDG-UHFFFAOYSA-N	-1	0	294.282	3.648	20	30		CHEDRM
CCOc1ccc(C)c(Nc2scc([O-])c2C#N)c1	ZINC001216235743	1134816704	/nfs/dbraw/zinc/81/67/04/1134816704.db2.gz	ATPAFVRCUJYCLI-UHFFFAOYSA-N	-1	0	274.345	3.776	20	30		CHEDRM
CCOc1ccc(C)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001216237819	1134820099	/nfs/dbraw/zinc/82/00/99/1134820099.db2.gz	ZNXXKLJLMYJFET-UHFFFAOYSA-N	-1	0	286.306	3.854	20	30		CHEDRM
Cc1coc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1C#N	ZINC001216309395	1134845841	/nfs/dbraw/zinc/84/58/41/1134845841.db2.gz	TZVWTRMKEWIEGF-UHFFFAOYSA-N	-1	0	270.288	3.518	20	30		CHEDRM
CNc1ccc(C#N)cc1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216312225	1134847062	/nfs/dbraw/zinc/84/70/62/1134847062.db2.gz	HKUPISUWFFVPAI-UHFFFAOYSA-N	-1	0	295.342	3.659	20	30		CHEDRM
Cc1cc(Nc2ccc(F)c(CC#N)c2)cc(C)c1C(=O)[O-]	ZINC001216313727	1134848074	/nfs/dbraw/zinc/84/80/74/1134848074.db2.gz	SMLLDFRZAZCROO-UHFFFAOYSA-N	-1	0	298.317	3.950	20	30		CHEDRM
Cc1c(Nc2cc(F)cc(F)c2C#N)cccc1C(=O)[O-]	ZINC001216663129	1134942541	/nfs/dbraw/zinc/94/25/41/1134942541.db2.gz	MOCLMAGPIICSEH-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#CCc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)c(F)c1	ZINC001222403280	1135236699	/nfs/dbraw/zinc/23/66/99/1135236699.db2.gz	OAVZWJKPCYEXDW-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccncc1F	ZINC001223593418	1135363511	/nfs/dbraw/zinc/36/35/11/1135363511.db2.gz	JPZRWOHMAMOSSZ-DLXMGQPRSA-N	-1	0	294.713	3.788	20	30		CHEDRM
CCCC[C@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223892576	1135394246	/nfs/dbraw/zinc/39/42/46/1135394246.db2.gz	JURSULAVGWDBTL-ICDILTBESA-N	-1	0	295.379	3.825	20	30		CHEDRM
C=C[C@@H](CCCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891738	1135394433	/nfs/dbraw/zinc/39/44/33/1135394433.db2.gz	RJXWFRMKIXXERZ-ICDILTBESA-N	-1	0	293.363	3.601	20	30		CHEDRM
CCCCCCC[C@H](CCC)OCC[P@@](=O)([O-])O	ZINC001224602359	1135461650	/nfs/dbraw/zinc/46/16/50/1135461650.db2.gz	QMGSENYDGRXRIM-ZDUSSCGKSA-N	-1	0	280.345	3.710	20	30		CHEDRM
CCCCCCC[C@@H](CCC)OCCCS(=O)(=O)[O-]	ZINC001224898229	1135492475	/nfs/dbraw/zinc/49/24/75/1135492475.db2.gz	JTRRYGXQMUKCHR-CQSZACIVSA-N	-1	0	294.457	3.810	20	30		CHEDRM
C[C@@H](Oc1ccc([S-])cc1)c1ccccc1C#N	ZINC001225558476	1135586795	/nfs/dbraw/zinc/58/67/95/1135586795.db2.gz	OVBXCZPBOCDRRI-LLVKDONJSA-N	-1	0	255.342	3.987	20	30		CHEDRM
C[C@H](C#C[Si](C)(C)C)Oc1ccccc1[S-]	ZINC001225588651	1135591736	/nfs/dbraw/zinc/59/17/36/1135591736.db2.gz	VLQGEJQMRJNZRU-LLVKDONJSA-N	-1	0	250.439	3.623	20	30		CHEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1Cl	ZINC001226014452	1135652685	/nfs/dbraw/zinc/65/26/85/1135652685.db2.gz	XMPXWMCTUHXLGQ-MRVPVSSYSA-N	-1	0	292.697	3.591	20	30		CHEDRM
C=C[C@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)c1ccccc1	ZINC001226347221	1135685594	/nfs/dbraw/zinc/68/55/94/1135685594.db2.gz	PGEXRNYGIOQWGC-JTQLQIEISA-N	-1	0	296.248	3.507	20	30		CHEDRM
C[C@H](Oc1ccc2nc(C#N)sc2c1)C1=CC=C[CH]1	ZINC001226671620	1135727807	/nfs/dbraw/zinc/72/78/07/1135727807.db2.gz	KHYADMOKBLRLTI-JTQLQIEISA-N	-1	0	267.333	3.636	20	30		CHEDRM
N#CC1(c2cccc(-c3ccc(C(=O)[O-])cc3)c2)CC1	ZINC000575185378	335077437	/nfs/dbraw/zinc/07/74/37/335077437.db2.gz	XWCYONQDODIKBJ-UHFFFAOYSA-N	-1	0	263.296	3.607	20	30		CHEDRM
N#Cc1cc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)[O-])cs1	ZINC000517966235	260328378	/nfs/dbraw/zinc/32/83/78/260328378.db2.gz	VULRUFRLWGVHJU-DOTOQJQBSA-N	-1	0	295.363	3.575	20	30		CHEDRM
CC(C)(C)c1[n-]n(CCc2ccccc2)c(=O)c1CCC#N	ZINC000123349923	260731854	/nfs/dbraw/zinc/73/18/54/260731854.db2.gz	CKHLRNHFBMGYQX-UHFFFAOYSA-N	-1	0	297.402	3.585	20	30		CHEDRM
Cc1coc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc12	ZINC000189223118	264278581	/nfs/dbraw/zinc/27/85/81/264278581.db2.gz	LTKQUUDNMUQQKM-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
C=C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000190599386	264423400	/nfs/dbraw/zinc/42/34/00/264423400.db2.gz	NZWDUQRJEWRLRV-ZDUSSCGKSA-N	-1	0	295.338	3.683	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccsc1Cl	ZINC000358691096	328892519	/nfs/dbraw/zinc/89/25/19/328892519.db2.gz	WVMGALGOWCRFBC-IWQZZHSRSA-N	-1	0	290.731	3.537	20	30		CHEDRM
Cc1ncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)s1	ZINC000080455847	330131284	/nfs/dbraw/zinc/13/12/84/330131284.db2.gz	GGNPPLSUGZNMHB-VIFPVBQESA-N	-1	0	291.401	3.522	20	30		CHEDRM
N#Cc1csc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c1	ZINC000486104866	331931662	/nfs/dbraw/zinc/93/16/62/331931662.db2.gz	VPROSTCLGRNLJE-DUXPYHPUSA-N	-1	0	296.307	3.630	20	30		CHEDRM
N#Cc1csc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)c1	ZINC000486104868	331931753	/nfs/dbraw/zinc/93/17/53/331931753.db2.gz	VPROSTCLGRNLJE-RQOWECAXSA-N	-1	0	296.307	3.630	20	30		CHEDRM
CCc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1CC	ZINC000489515954	332058000	/nfs/dbraw/zinc/05/80/00/332058000.db2.gz	SELQWVMRVYIMDO-UHFFFAOYSA-N	-1	0	294.354	3.641	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000500647836	332615131	/nfs/dbraw/zinc/61/51/31/332615131.db2.gz	CQWTZEFAOOKRGK-UHFFFAOYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2cc[nH]c2C2CCC2)n1	ZINC000577225166	335326076	/nfs/dbraw/zinc/32/60/76/335326076.db2.gz	LWUYTWJGTZRVLB-LBPRGKRZSA-N	-1	0	285.372	3.537	20	30		CHEDRM
CCCc1sc(C([O-])=C(C#N)c2ccncn2)cc1CC	ZINC000354461814	528806361	/nfs/dbraw/zinc/80/63/61/528806361.db2.gz	GORBPXKGFGBVLS-GFCCVEGCSA-N	-1	0	299.399	3.543	20	30		CHEDRM
O=C([O-])C1CCC(/N=C\c2c(O)ccc3ccccc32)CC1	ZINC000739559889	600033413	/nfs/dbraw/zinc/03/34/13/600033413.db2.gz	INFTXASDPQFSMQ-ODLFYWEKSA-N	-1	0	297.354	3.608	20	30		CHEDRM
C[C@H](Sc1ncccc1C(=O)[O-])c1ccc(C#N)cc1	ZINC000736716007	600472740	/nfs/dbraw/zinc/47/27/40/600472740.db2.gz	XLDNTZZOIJXMGW-JTQLQIEISA-N	-1	0	284.340	3.505	20	30		CHEDRM
C=CCCCCCN(C)c1nc(Cl)c(C(=O)[O-])s1	ZINC000736098198	600561385	/nfs/dbraw/zinc/56/13/85/600561385.db2.gz	VKEQHYBLCRHMFU-UHFFFAOYSA-N	-1	0	288.800	3.677	20	30		CHEDRM
CC(C)C[C@H](C/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736403806	600816500	/nfs/dbraw/zinc/81/65/00/600816500.db2.gz	KOKVTRMWCYPYOB-AXLWCPOOSA-N	-1	0	299.370	3.711	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/Cc3cc(Cl)ccc3C2=O)cc1	ZINC000742438626	600829317	/nfs/dbraw/zinc/82/93/17/600829317.db2.gz	ZZDOFJBDLYDMQF-QPEQYQDCSA-N	-1	0	298.725	3.861	20	30		CHEDRM
CC(C)(C#N)CCCOc1ccc(C(=O)[O-])cc1Cl	ZINC000087596461	601343539	/nfs/dbraw/zinc/34/35/39/601343539.db2.gz	SSWMVKCXIMLJJI-UHFFFAOYSA-N	-1	0	281.739	3.747	20	30		CHEDRM
CCCCCCCC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000115772028	602072092	/nfs/dbraw/zinc/07/20/92/602072092.db2.gz	GVUJDYHCWWFWGE-UHFFFAOYSA-N	-1	0	277.364	3.613	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000776640893	602166847	/nfs/dbraw/zinc/16/68/47/602166847.db2.gz	KFQQJLZYZVPOJY-UHFFFAOYSA-N	-1	0	293.750	3.745	20	30		CHEDRM
Cc1sc(C(=O)[O-])cc1COc1cc(C#N)ccc1C	ZINC000232309320	602306816	/nfs/dbraw/zinc/30/68/16/602306816.db2.gz	JXNOPOLEJQEZSL-UHFFFAOYSA-N	-1	0	287.340	3.514	20	30		CHEDRM
O=C([O-])N1CCCc2cc(N=Cc3ccccc3O)ccc21	ZINC000740524236	602430927	/nfs/dbraw/zinc/43/09/27/602430927.db2.gz	SNXIKRRUMGHOPH-UHFFFAOYSA-N	-1	0	296.326	3.573	20	30		CHEDRM
C[C@H](NC(=O)[O-])c1ccc(NCCCC(C)(C)C#N)cc1	ZINC000825448078	604270514	/nfs/dbraw/zinc/27/05/14/604270514.db2.gz	BFYWETLXDFXFGQ-LBPRGKRZSA-N	-1	0	289.379	3.757	20	30		CHEDRM
COc1ccc(C)cc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832259464	604627014	/nfs/dbraw/zinc/62/70/14/604627014.db2.gz	USBWGGYKSLXEDE-CMDGGOBGSA-N	-1	0	296.322	3.598	20	30		CHEDRM
CCOc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000830099895	604627164	/nfs/dbraw/zinc/62/71/64/604627164.db2.gz	QRLPYIDYWMINOR-IZZDOVSWSA-N	-1	0	296.322	3.680	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1	ZINC000143199484	604629152	/nfs/dbraw/zinc/62/91/52/604629152.db2.gz	UIHZKINZYLSXPI-KBXRYBNXSA-N	-1	0	278.307	3.837	20	30		CHEDRM
CC(=NN[C@H](C)c1ccccc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814815179	604637962	/nfs/dbraw/zinc/63/79/62/604637962.db2.gz	PFVUTHYTVJXFET-UKRRQHHQSA-N	-1	0	290.407	3.994	20	30		CHEDRM
CN(C(=O)[O-])c1ccc(NCC(C)(C)CCC#N)cc1	ZINC000830518866	604643436	/nfs/dbraw/zinc/64/34/36/604643436.db2.gz	JAECACQDPNQMJR-UHFFFAOYSA-N	-1	0	275.352	3.543	20	30		CHEDRM
CC(C)CC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367482	604669876	/nfs/dbraw/zinc/66/98/76/604669876.db2.gz	AIZMITVBZNWQRR-GFCCVEGCSA-N	-1	0	289.379	3.784	20	30		CHEDRM
C=C[C@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000833371389	604764601	/nfs/dbraw/zinc/76/46/01/604764601.db2.gz	OPADZXLMKQNVJP-CYBMUJFWSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C=CCC[C@@H](NC(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000833373625	605006881	/nfs/dbraw/zinc/00/68/81/605006881.db2.gz	UZELPDRZFKSLTM-LLVKDONJSA-N	-1	0	273.254	3.980	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC[C@H]1C[C@H]1c1ccccc1	ZINC000755601467	605094683	/nfs/dbraw/zinc/09/46/83/605094683.db2.gz	OMDBJJGUQPOWPG-HIFRSBDPSA-N	-1	0	280.327	3.586	20	30		CHEDRM
CC(C)(C)C[C@H](Sc1cccc(C#N)c1)C(=O)[O-]	ZINC000833430300	605155264	/nfs/dbraw/zinc/15/52/64/605155264.db2.gz	VDEDJHPDRANQDT-LBPRGKRZSA-N	-1	0	263.362	3.540	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccsc1	ZINC000833386850	605155979	/nfs/dbraw/zinc/15/59/79/605155979.db2.gz	ZCJJBWKOOIJCRA-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
C=CCC[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1	ZINC000833373637	605218136	/nfs/dbraw/zinc/21/81/36/605218136.db2.gz	VLRUANLXNIZYFS-MRXNPFEDSA-N	-1	0	288.391	3.953	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001589644910	949716076	/nfs/dbraw/zinc/71/60/76/949716076.db2.gz	FSWPHEDHIJUBND-HUUCEWRRSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000851592853	955783220	/nfs/dbraw/zinc/78/32/20/955783220.db2.gz	GPLJWIWWLILNKC-CQSZACIVSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCCC(=O)Nc1sccc1C(=O)[O-]	ZINC000059082230	957559829	/nfs/dbraw/zinc/55/98/29/957559829.db2.gz	SWJARPQLDLDTTE-UHFFFAOYSA-N	-1	0	269.366	3.745	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cc(F)cc(F)c2)c1	ZINC000126464044	958593059	/nfs/dbraw/zinc/59/30/59/958593059.db2.gz	KCNNCYDUWOQSFY-SNAWJCMRSA-N	-1	0	288.249	3.559	20	30		CHEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c(C)s1	ZINC000213707709	959723749	/nfs/dbraw/zinc/72/37/49/959723749.db2.gz	GWIRAJVAWHOKFW-YVMONPNESA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1	ZINC000220154745	959798329	/nfs/dbraw/zinc/79/83/29/959798329.db2.gz	ZAOGBUANZFEGMB-BHQIHCQQSA-N	-1	0	288.249	3.559	20	30		CHEDRM
C#CCCCCCC(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC001573302084	962644110	/nfs/dbraw/zinc/64/41/10/962644110.db2.gz	PSQFIRLLSIEGBT-UHFFFAOYSA-N	-1	0	293.388	3.531	20	30		CHEDRM
C=C[C@H](OC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1	ZINC001573346549	962940855	/nfs/dbraw/zinc/94/08/55/962940855.db2.gz	BZMVOZIAODVNBY-INIZCTEOSA-N	-1	0	296.322	3.777	20	30		CHEDRM
C=CC[C@H](S[C@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001573352388	962985484	/nfs/dbraw/zinc/98/54/84/962985484.db2.gz	BDLQSKWHKXAYSN-MFKMUULPSA-N	-1	0	266.362	3.519	20	30		CHEDRM
N#Cc1ccc(SCCCC(=O)[O-])cc1C(F)(F)F	ZINC000311460615	963482185	/nfs/dbraw/zinc/48/21/85/963482185.db2.gz	LUZAXTNMTGIKMD-UHFFFAOYSA-N	-1	0	289.278	3.534	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)cc1	ZINC001591943381	976478384	/nfs/dbraw/zinc/47/83/84/976478384.db2.gz	IBYJLOWBMPUKEQ-WTKPLQERSA-N	-1	0	297.354	3.743	20	30		CHEDRM
CC(CCc1ccco1)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC001592552036	978436440	/nfs/dbraw/zinc/43/64/40/978436440.db2.gz	JCDFPSIBBQXMDQ-UHFFFAOYSA-N	-1	0	290.294	3.538	20	30		CHEDRM
CC(=NOCc1ccccc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814791662	978885491	/nfs/dbraw/zinc/88/54/91/978885491.db2.gz	IMWUAKTXYUKPBV-ZDUSSCGKSA-N	-1	0	277.364	3.860	20	30		CHEDRM
CC(=NNc1ccc(F)cc1C)c1cc(C(=O)[O-])cs1	ZINC000814885057	978895982	/nfs/dbraw/zinc/89/59/82/978895982.db2.gz	KYOVFVMTKNKBBN-UHFFFAOYSA-N	-1	0	292.335	3.730	20	30		CHEDRM
CC(=NNCC1(C)CCCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814937834	978899452	/nfs/dbraw/zinc/89/94/52/978899452.db2.gz	QNQXLMAPVMRGTD-CYBMUJFWSA-N	-1	0	282.428	3.813	20	30		CHEDRM
Cc1cccc(C(C)C)c1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814934957	978899561	/nfs/dbraw/zinc/89/95/61/978899561.db2.gz	IUTFLFGGLPEYFK-UHFFFAOYSA-N	-1	0	285.347	3.591	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910700781	982070748	/nfs/dbraw/zinc/07/07/48/982070748.db2.gz	MFFQIZCYYVVNBB-CQSZACIVSA-N	-1	0	296.392	3.506	20	30		CHEDRM
CCCCCCCC(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC001595703027	982266226	/nfs/dbraw/zinc/26/62/26/982266226.db2.gz	ONFGVNXLUDHTPF-HNNXBMFYSA-N	-1	0	297.439	3.744	20	30		CHEDRM
CCCCCCCCCn1cc(C(=O)[O-])nc1C	ZINC001595704372	982274071	/nfs/dbraw/zinc/27/40/71/982274071.db2.gz	ISLXWVRHTRPGTL-UHFFFAOYSA-N	-1	0	252.358	3.640	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001595704979	982282062	/nfs/dbraw/zinc/28/20/62/982282062.db2.gz	MIKZCLIPYJPQBM-RRFJBIMHSA-N	-1	0	297.439	3.695	20	30		CHEDRM
CC[C@@H](C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001594928310	982535508	/nfs/dbraw/zinc/53/55/08/982535508.db2.gz	GIXAXCLRIHXGPV-PELKAZGASA-N	-1	0	283.780	3.803	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl	ZINC001588534706	983586607	/nfs/dbraw/zinc/58/66/07/983586607.db2.gz	CAYZOJRDZSMKQY-SECBINFHSA-N	-1	0	295.766	3.887	20	30		CHEDRM
C=CC(C)(C)CC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1	ZINC001588673384	983830269	/nfs/dbraw/zinc/83/02/69/983830269.db2.gz	UNNDSDUOWQPDRR-UHFFFAOYSA-N	-1	0	290.359	3.557	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1	ZINC001588682308	983843957	/nfs/dbraw/zinc/84/39/57/983843957.db2.gz	LFFKTLSWCDQFJZ-CQSZACIVSA-N	-1	0	296.392	3.506	20	30		CHEDRM
C=C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)[O-]	ZINC001588702755	983921460	/nfs/dbraw/zinc/92/14/60/983921460.db2.gz	XMBCFJNGERBLAO-CYBMUJFWSA-N	-1	0	267.284	3.637	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1Cl	ZINC001588732252	984016571	/nfs/dbraw/zinc/01/65/71/984016571.db2.gz	XOKAJBZGSABILE-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=CC[C@@H](SCc1cc(C)ccc1C)C(=O)[O-]	ZINC001588758202	984105528	/nfs/dbraw/zinc/10/55/28/984105528.db2.gz	FFKMCVCMSVAQOU-CYBMUJFWSA-N	-1	0	250.363	3.566	20	30		CHEDRM
C=CCC1(CNc2ncc(C(=O)[O-])cc2Cl)CCCC1	ZINC001588767200	984128655	/nfs/dbraw/zinc/12/86/55/984128655.db2.gz	OTOFVIKVFVYKTG-UHFFFAOYSA-N	-1	0	294.782	3.982	20	30		CHEDRM
C=CC[C@@H]1CC[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC001588770638	984135029	/nfs/dbraw/zinc/13/50/29/984135029.db2.gz	BRHPDTLLOAODCH-DGCLKSJQSA-N	-1	0	275.348	3.550	20	30		CHEDRM
C=CC[C@@H]1CC[C@H](Nc2cc(C)cc(C(=O)[O-])c2)C1	ZINC001588771000	984137397	/nfs/dbraw/zinc/13/73/97/984137397.db2.gz	LEIJYCAPSNMCEL-OCCSQVGLSA-N	-1	0	259.349	3.850	20	30		CHEDRM
C=CC[C@@H]1CC[C@H](Nc2ccc(C(=O)[O-])cc2OCC)C1	ZINC001588771458	984140189	/nfs/dbraw/zinc/14/01/89/984140189.db2.gz	VKGMSFLJBIKMPY-OCCSQVGLSA-N	-1	0	289.375	3.940	20	30		CHEDRM
C=CC[C@@H]1CC[C@@H](Nc2ccc(C(=O)[O-])cc2OCC)C1	ZINC001588771459	984140268	/nfs/dbraw/zinc/14/02/68/984140268.db2.gz	VKGMSFLJBIKMPY-TZMCWYRMSA-N	-1	0	289.375	3.940	20	30		CHEDRM
C=CCCC(=O)Nc1cccc2cc(C(=O)[O-])sc21	ZINC001588776813	984153674	/nfs/dbraw/zinc/15/36/74/984153674.db2.gz	HQERMSZVPCFGKQ-UHFFFAOYSA-N	-1	0	275.329	3.504	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588777704	984157287	/nfs/dbraw/zinc/15/72/87/984157287.db2.gz	GQLADBZCVCLJHF-UHFFFAOYSA-N	-1	0	290.363	3.560	20	30		CHEDRM
C=CCCCC(=O)N(c1ccccc1C(=O)[O-])C1CCC1	ZINC001588782652	984174071	/nfs/dbraw/zinc/17/40/71/984174071.db2.gz	XVWBIQHGNYLGQX-UHFFFAOYSA-N	-1	0	287.359	3.627	20	30		CHEDRM
C=CCCC[C@@H](Nc1nccc(C(=O)[O-])n1)c1ccccc1	ZINC001588798589	984237114	/nfs/dbraw/zinc/23/71/14/984237114.db2.gz	LANXWDSJMYFPLT-CQSZACIVSA-N	-1	0	297.358	3.684	20	30		CHEDRM
C=CCN(Cc1cc(C(=O)[O-])cs1)c1ccccc1	ZINC001588829178	984312211	/nfs/dbraw/zinc/31/22/11/984312211.db2.gz	HGFINLQKJKPEES-UHFFFAOYSA-N	-1	0	273.357	3.639	20	30		CHEDRM
CC(=NNc1ccc(C)cc1)c1cc(C(=O)[O-])cs1	ZINC001589016497	984995546	/nfs/dbraw/zinc/99/55/46/984995546.db2.gz	QBPFIGRABIEBKJ-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
CC(=NNc1cccc2ccccc21)c1cc(C(=O)[O-])co1	ZINC001589017395	985002727	/nfs/dbraw/zinc/00/27/27/985002727.db2.gz	LAKJJUHLYKEVKU-UHFFFAOYSA-N	-1	0	294.310	3.967	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C(C)C	ZINC001594694337	987107512	/nfs/dbraw/zinc/10/75/12/987107512.db2.gz	VHYJUNFMVDMEDP-UHFFFAOYSA-N	-1	0	268.744	3.872	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CC1	ZINC001594694300	987107519	/nfs/dbraw/zinc/10/75/19/987107519.db2.gz	UDXAARQTXFWJLZ-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
C[C@H](C(=O)[O-])c1cccc(Nc2cccc(F)c2C#N)c1	ZINC001589539746	987236833	/nfs/dbraw/zinc/23/68/33/987236833.db2.gz	KOUWETJVTXLUEJ-JTQLQIEISA-N	-1	0	284.290	3.629	20	30		CHEDRM
C[C@@H]1C/C(=C\c2cc(C(=O)[O-])co2)C(=O)c2ccccc21	ZINC001594195997	998759917	/nfs/dbraw/zinc/75/99/17/998759917.db2.gz	FNKYGVNWQKPUTI-UEUZTHOGSA-N	-1	0	282.295	3.751	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(Cl)c1	ZINC001176222510	1121578669	/nfs/dbraw/zinc/57/86/69/1121578669.db2.gz	WTFKWOLYHNXXIF-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1csc(C(=O)[O-])c1	ZINC001176439313	1121622300	/nfs/dbraw/zinc/62/23/00/1121622300.db2.gz	OGAIRASGVDXSQS-UHFFFAOYSA-N	-1	0	272.329	3.624	20	30		CHEDRM
N#Cc1cc(-c2c(F)c([O-])ccc2Cl)ccc1F	ZINC001250637836	1122868437	/nfs/dbraw/zinc/86/84/37/1122868437.db2.gz	WYZQKQOIFWHMLC-UHFFFAOYSA-N	-1	0	265.646	3.862	20	30		CHEDRM
C#CC1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC001140832485	1131942304	/nfs/dbraw/zinc/94/23/04/1131942304.db2.gz	GJECUQYCPYLFQA-UHFFFAOYSA-N	-1	0	284.186	3.544	20	30		CHEDRM
N#Cc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211962737	1125528110	/nfs/dbraw/zinc/52/81/10/1125528110.db2.gz	OFONORVWQVWTDO-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
O=C(/C=C\c1cnc2ccc(Cl)cn12)c1ccccc1[O-]	ZINC000757474094	1125768049	/nfs/dbraw/zinc/76/80/49/1125768049.db2.gz	IVELUGKCRBLPRV-SREVYHEPSA-N	-1	0	298.729	3.589	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cc(F)cc(F)c1	ZINC000088305140	1129202918	/nfs/dbraw/zinc/20/29/18/1129202918.db2.gz	NZFPSZAQGIQVHD-OWOJBTEDSA-N	-1	0	296.219	3.845	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3CCC[C@H]3C2)cc1F	ZINC000905475589	1126903149	/nfs/dbraw/zinc/90/31/49/1126903149.db2.gz	DARPSZUTQDSOPU-AOOOYVTPSA-N	-1	0	276.311	3.502	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000908689672	1127011305	/nfs/dbraw/zinc/01/13/05/1127011305.db2.gz	ZXGWISBWXRIACW-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
COc1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cc1	ZINC000224446718	1127263850	/nfs/dbraw/zinc/26/38/50/1127263850.db2.gz	GCASJKFLAOPIGU-POHAHGRESA-N	-1	0	268.312	3.605	20	30		CHEDRM
Cc1[n-]n([C@H](C)c2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000601935728	1127553775	/nfs/dbraw/zinc/55/37/75/1127553775.db2.gz	MIAKMKCPISACGN-RISCZKNCSA-N	-1	0	289.766	3.539	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(Cl)c2)s1	ZINC000007333309	1127689351	/nfs/dbraw/zinc/68/93/51/1127689351.db2.gz	JJOOJVSTSHASTQ-SNAWJCMRSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C=CCCSc1n[n-]c(=Nc2cccc(F)c2)s1	ZINC000606754595	1127773706	/nfs/dbraw/zinc/77/37/06/1127773706.db2.gz	KUEXFCDZSZFOCQ-UHFFFAOYSA-N	-1	0	281.381	3.511	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1	ZINC000916255190	1128412655	/nfs/dbraw/zinc/41/26/55/1128412655.db2.gz	IRLORSRMKRPXES-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
Cc1cc(C)c(NN=Cc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000916339054	1128417008	/nfs/dbraw/zinc/41/70/08/1128417008.db2.gz	ADQNJAPQJOKLGM-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
CCC(C[C@@H](C)CC)N=Nc1ccccc1C(=O)[O-]	ZINC000915955497	1128397107	/nfs/dbraw/zinc/39/71/07/1128397107.db2.gz	FLGMXDPDZOEMPK-NSHDSACASA-N	-1	0	262.353	3.999	20	30		CHEDRM
Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(C)c1	ZINC000915981344	1128399715	/nfs/dbraw/zinc/39/97/15/1128399715.db2.gz	QKJJTNWEEYHQAM-LICLKQGHSA-N	-1	0	284.315	3.536	20	30		CHEDRM
CCc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255116	1128412391	/nfs/dbraw/zinc/41/23/91/1128412391.db2.gz	BOXZDGBOIHHZQG-UHFFFAOYSA-N	-1	0	282.343	3.783	20	30		CHEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000916240670	1128412399	/nfs/dbraw/zinc/41/23/99/1128412399.db2.gz	JSDXTUVADKWNLN-LBPRGKRZSA-N	-1	0	268.316	3.586	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000916240545	1128412504	/nfs/dbraw/zinc/41/25/04/1128412504.db2.gz	GRVPLKGVNZJVDM-UHFFFAOYSA-N	-1	0	268.316	3.611	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000033474164	1128535106	/nfs/dbraw/zinc/53/51/06/1128535106.db2.gz	PNQARKWBQSREIN-YWEYNIOJSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#CC(=C([O-])C=C1CCCC1)c1nc2ccccc2s1	ZINC000918484297	1128548194	/nfs/dbraw/zinc/54/81/94/1128548194.db2.gz	XAAMEXUOPXHYSV-GFCCVEGCSA-N	-1	0	282.368	3.973	20	30		CHEDRM
O=C(/C=C/c1ccc(Cl)s1)c1ccc(O)cc1[O-]	ZINC000156623472	1128637524	/nfs/dbraw/zinc/63/75/24/1128637524.db2.gz	AELUMGJQZMRAIY-GORDUTHDSA-N	-1	0	280.732	3.709	20	30		CHEDRM
COc1cccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)c1	ZINC000175315969	1128723712	/nfs/dbraw/zinc/72/37/12/1128723712.db2.gz	FFXXJMHXPNYJOR-AATRIKPKSA-N	-1	0	290.265	3.575	20	30		CHEDRM
O=C1c2ccccc2CC/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000175315840	1128723927	/nfs/dbraw/zinc/72/39/27/1128723927.db2.gz	PWVXDUQQKYXMAK-GHXNOFRVSA-N	-1	0	286.277	3.883	20	30		CHEDRM
CSc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1C	ZINC000336421872	1117895939	/nfs/dbraw/zinc/89/59/39/1117895939.db2.gz	OAKMUHOZQXNQJN-UHFFFAOYSA-N	-1	0	298.367	3.547	20	30		CHEDRM
CC(=NOC/C=C\Cl)c1ccc(O)c(Cl)c1	ZINC000811672043	1117936629	/nfs/dbraw/zinc/93/66/29/1117936629.db2.gz	ONMSUOMQLUHIDW-WLWPVCBVSA-N	-1	0	260.120	3.539	20	30		CHEDRM
COc1cc(C#N)ccc1Nc1cc([O-])c(Cl)cc1F	ZINC001209410578	1118040779	/nfs/dbraw/zinc/04/07/79/1118040779.db2.gz	AWXKXCSDKJSWHF-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
COc1ccsc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000764443250	1118092292	/nfs/dbraw/zinc/09/22/92/1118092292.db2.gz	WTWFMIBBUTVZRD-AATRIKPKSA-N	-1	0	274.341	3.667	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc(C2CC2)cs1	ZINC000842941845	1118176162	/nfs/dbraw/zinc/17/61/62/1118176162.db2.gz	DFQLMKQJJIVXTF-OQHXTRMZSA-N	-1	0	286.400	3.943	20	30		CHEDRM
CO[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000121051860	1118236953	/nfs/dbraw/zinc/23/69/53/1118236953.db2.gz	FYCBEFUGHFKEHC-PPCFUKRJSA-N	-1	0	288.174	3.685	20	30		CHEDRM
O=C(N(O)Cc1cccc2ccccc21)C1(CF)CCC1	ZINC001649070384	1118311889	/nfs/dbraw/zinc/31/18/89/1118311889.db2.gz	YRUAIWOWMVPGRS-UHFFFAOYSA-N	-1	0	287.334	3.697	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(Cl)ccc1C#N	ZINC000086112417	1118342507	/nfs/dbraw/zinc/34/25/07/1118342507.db2.gz	BBEVVUHRQRAQHS-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cnc2sccc2c1	ZINC001210692256	1118367480	/nfs/dbraw/zinc/36/74/80/1118367480.db2.gz	OFUQLBSSSUICJH-UHFFFAOYSA-N	-1	0	273.342	3.679	20	30		CHEDRM
CC[C@@H]1CCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000048456620	1118416523	/nfs/dbraw/zinc/41/65/23/1118416523.db2.gz	MACFBDYGLCYGAX-RWJXEWCUSA-N	-1	0	276.336	3.688	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000430509540	1118500504	/nfs/dbraw/zinc/50/05/04/1118500504.db2.gz	JCDCLCIUEAYDPJ-NSHDSACASA-N	-1	0	288.372	3.912	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000430523778	1118508920	/nfs/dbraw/zinc/50/89/20/1118508920.db2.gz	IHMKIXHRZLNNJZ-LLVKDONJSA-N	-1	0	296.351	3.942	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCCC(C)(C)C	ZINC000073838243	1118617472	/nfs/dbraw/zinc/61/74/72/1118617472.db2.gz	ILPXYGCGGPXRJM-UHFFFAOYSA-N	-1	0	277.430	3.678	20	30		CHEDRM
Cc1cccnc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430611585	1118620117	/nfs/dbraw/zinc/62/01/17/1118620117.db2.gz	OQWRPOIKENFVLO-NSHDSACASA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000255353911	1118661013	/nfs/dbraw/zinc/66/10/13/1118661013.db2.gz	LEFMWKIFOPWLFF-CLFYSBASSA-N	-1	0	283.283	3.505	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2cc(C#N)cs2)c1	ZINC000255386191	1118739097	/nfs/dbraw/zinc/73/90/97/1118739097.db2.gz	QRMMQXIDHYASRR-HYXAFXHYSA-N	-1	0	269.325	3.530	20	30		CHEDRM
C[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009888	1118763751	/nfs/dbraw/zinc/76/37/51/1118763751.db2.gz	GYZKFZPMWARYAY-VIFPVBQESA-N	-1	0	264.300	3.502	20	30		CHEDRM
O=C(/C=C\c1cnn2ccccc12)c1ccc([O-])c(Cl)c1	ZINC000588480287	1118910985	/nfs/dbraw/zinc/91/09/85/1118910985.db2.gz	PKNLWIPQUKOEAS-WAYWQWQTSA-N	-1	0	298.729	3.589	20	30		CHEDRM
CCOc1ccccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728438946	1118946908	/nfs/dbraw/zinc/94/69/08/1118946908.db2.gz	REZXZOSIOHPBKX-VQHVLOKHSA-N	-1	0	286.302	3.826	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000342448702	1119031992	/nfs/dbraw/zinc/03/19/92/1119031992.db2.gz	PPBHVYYIFJBRIF-LLVKDONJSA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1ccc(Nc2cc(F)c(C#N)c(F)c2)cc1C(=O)[O-]	ZINC001211607870	1119463776	/nfs/dbraw/zinc/46/37/76/1119463776.db2.gz	AHSMPLVEHJUECQ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
O=C(/C=C\c1cc(Cl)cs1)c1ccc(O)cc1[O-]	ZINC000588601347	1119536600	/nfs/dbraw/zinc/53/66/00/1119536600.db2.gz	SWLXDQJYNANHNK-RQOWECAXSA-N	-1	0	280.732	3.709	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(Cl)cccc1C#N	ZINC001211624662	1119614694	/nfs/dbraw/zinc/61/46/94/1119614694.db2.gz	PAFDPROTOPYKDX-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
CC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2C)c(C#N)c1	ZINC001211626819	1119637762	/nfs/dbraw/zinc/63/77/62/1119637762.db2.gz	YNXAKCPZVNIGHS-UHFFFAOYSA-N	-1	0	294.310	3.511	20	30		CHEDRM
C=C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179733434	1119758672	/nfs/dbraw/zinc/75/86/72/1119758672.db2.gz	LVPDUANUVOYUQI-CQSZACIVSA-N	-1	0	292.338	3.562	20	30		CHEDRM
CCCCN(CC#N)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140831880	1119984501	/nfs/dbraw/zinc/98/45/01/1119984501.db2.gz	AFRLQVWXFPNPAJ-UHFFFAOYSA-N	-1	0	287.190	3.825	20	30		CHEDRM
Cc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041545859	1120283911	/nfs/dbraw/zinc/28/39/11/1120283911.db2.gz	LUJBIGBAWINOSL-CYBMUJFWSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H](CC)C(C)C	ZINC000073838395	1120642973	/nfs/dbraw/zinc/64/29/73/1120642973.db2.gz	RKZGKNMEUBYTFD-LLVKDONJSA-N	-1	0	277.430	3.534	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174954099	1121109630	/nfs/dbraw/zinc/10/96/30/1121109630.db2.gz	ZZAJJMPXRWBLQK-UHFFFAOYSA-N	-1	0	280.327	3.546	20	30		CHEDRM
Cc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1C#N	ZINC001174982641	1121141151	/nfs/dbraw/zinc/14/11/51/1121141151.db2.gz	QOODWJVABRUUTA-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C#N)ccc(F)c1F	ZINC001174985714	1121142682	/nfs/dbraw/zinc/14/26/82/1121142682.db2.gz	FTFXEHGVRIYJOX-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1sc(Nc2ccc(C(=O)[O-])c(F)c2)c(C#N)c1C	ZINC001175154760	1121187041	/nfs/dbraw/zinc/18/70/41/1121187041.db2.gz	SNEBAKKIPRRINB-UHFFFAOYSA-N	-1	0	290.319	3.818	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175162025	1121208695	/nfs/dbraw/zinc/20/86/95/1121208695.db2.gz	WLYHEDFZGZSRCP-UHFFFAOYSA-N	-1	0	296.257	3.885	20	30		CHEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)cc1C	ZINC001175167422	1121214287	/nfs/dbraw/zinc/21/42/87/1121214287.db2.gz	XUWSHGCQJIYYID-UHFFFAOYSA-N	-1	0	274.345	3.776	20	30		CHEDRM
Cc1sc(Nc2ccc(F)c(C(=O)[O-])c2)c(C#N)c1C	ZINC001175215402	1121226716	/nfs/dbraw/zinc/22/67/16/1121226716.db2.gz	LZGUWXBHYVGCJN-UHFFFAOYSA-N	-1	0	290.319	3.818	20	30		CHEDRM
N#Cc1c(Nc2cccc(C(=O)[O-])c2)sc2c1CCCC2	ZINC001175328338	1121285234	/nfs/dbraw/zinc/28/52/34/1121285234.db2.gz	HGBZJJZWYGYIPR-UHFFFAOYSA-N	-1	0	298.367	3.940	20	30		CHEDRM
N#Cc1cc(NC=CCc2ccccc2)c([O-])cc1F	ZINC001176220200	1121578308	/nfs/dbraw/zinc/57/83/08/1121578308.db2.gz	PAGNGKJVPZNSCL-XBXARRHUSA-N	-1	0	268.291	3.571	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2csc(C(=O)[O-])c2)cc1	ZINC001176438975	1121622509	/nfs/dbraw/zinc/62/25/09/1121622509.db2.gz	ITZFRTNFKQQJOB-UHFFFAOYSA-N	-1	0	286.356	3.991	20	30		CHEDRM
Cc1cc(C#N)c(Nc2csc(C(=O)[O-])c2)cc1F	ZINC001176440058	1121623516	/nfs/dbraw/zinc/62/35/16/1121623516.db2.gz	DSESCDCRIDMCJQ-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
N#Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1F	ZINC001176671787	1121673600	/nfs/dbraw/zinc/67/36/00/1121673600.db2.gz	OXIDGJKGDNRQGT-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
CC(C)NC(=S)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000730955048	1121839030	/nfs/dbraw/zinc/83/90/30/1121839030.db2.gz	SRTMLSNRYWNRER-LLVKDONJSA-N	-1	0	293.461	3.633	20	30		CHEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000345831388	1121919284	/nfs/dbraw/zinc/91/92/84/1121919284.db2.gz	FSMPANTYHIAVPM-SECBINFHSA-N	-1	0	299.380	3.551	20	30		CHEDRM
CCc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)s1	ZINC000774118376	1122129499	/nfs/dbraw/zinc/12/94/99/1122129499.db2.gz	HRXGCQDAOOGWPS-SOFGYWHQSA-N	-1	0	286.352	3.905	20	30		CHEDRM
C=C(C)CCSc1n[n-]c(=NCc2ccccc2)s1	ZINC000505427365	1122373479	/nfs/dbraw/zinc/37/34/79/1122373479.db2.gz	LZHSRQBLFBLTDL-UHFFFAOYSA-N	-1	0	291.445	3.630	20	30		CHEDRM
CC(C)(NC(=O)c1cccc([S-])c1)c1ccc(C#N)cc1	ZINC001186155409	1122377838	/nfs/dbraw/zinc/37/78/38/1122377838.db2.gz	BVCOHEGGODACLB-UHFFFAOYSA-N	-1	0	296.395	3.512	20	30		CHEDRM
CC(C)c1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000505481587	1122396917	/nfs/dbraw/zinc/39/69/17/1122396917.db2.gz	UYNYIZQWSFEQQV-UITAMQMPSA-N	-1	0	292.338	3.945	20	30		CHEDRM
CSc1ccccc1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001186746122	1122405744	/nfs/dbraw/zinc/40/57/44/1122405744.db2.gz	OVTJAPSDPXJJCA-UHFFFAOYSA-N	-1	0	299.355	3.630	20	30		CHEDRM
C=CCC1(c2nc(-c3ccc(O)c(F)c3)no2)CCC1	ZINC000436880825	1122590918	/nfs/dbraw/zinc/59/09/18/1122590918.db2.gz	SRENOOJIHCNODZ-UHFFFAOYSA-N	-1	0	274.295	3.579	20	30		CHEDRM
CC(C)(C)c1cccc(NC(=O)c2ccc([O-])c(C#N)c2)c1	ZINC001193504372	1122695382	/nfs/dbraw/zinc/69/53/82/1122695382.db2.gz	CHAOFADTGYNPHC-UHFFFAOYSA-N	-1	0	294.354	3.814	20	30		CHEDRM
N#Cc1ccc(NC(=O)Oc2ccc(Cl)cc2)c(O)c1	ZINC001194061526	1122743559	/nfs/dbraw/zinc/74/35/59/1122743559.db2.gz	NLFUUNJOAWARSS-UHFFFAOYSA-N	-1	0	288.690	3.528	20	30		CHEDRM
N#Cc1ccc(F)c(-c2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001250634391	1122865221	/nfs/dbraw/zinc/86/52/21/1122865221.db2.gz	UGIOUIRUEYNTND-UHFFFAOYSA-N	-1	0	293.656	3.855	20	30		CHEDRM
Cc1cccc(NC(=S)Nc2cc(C#N)ccc2[O-])c1C	ZINC001196418021	1122922454	/nfs/dbraw/zinc/92/24/54/1122922454.db2.gz	GCWRWHOSFYWESV-UHFFFAOYSA-N	-1	0	297.383	3.690	20	30		CHEDRM
C=C1CC=C(F)C=C1NC(=O)c1cc(Cl)c(F)cc1[O-]	ZINC001196477816	1122923078	/nfs/dbraw/zinc/92/30/78/1122923078.db2.gz	HVOPYHFWIFJTCW-UHFFFAOYSA-N	-1	0	297.688	3.612	20	30		CHEDRM
N#Cc1cccc(NC(=S)Nc2ccccc2[S-])c1	ZINC001197709208	1122967491	/nfs/dbraw/zinc/96/74/91/1122967491.db2.gz	TZPVDGDQNWDYET-UHFFFAOYSA-N	-1	0	285.397	3.656	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000620863040	1129097167	/nfs/dbraw/zinc/09/71/67/1129097167.db2.gz	CVDYKKNRGQOSMS-UHFFFAOYSA-N	-1	0	267.756	3.520	20	30		CHEDRM
Cc1cc(C)cc(NC(=S)Nc2cc(C#N)ccc2[O-])c1	ZINC001201205587	1123078918	/nfs/dbraw/zinc/07/89/18/1123078918.db2.gz	ZNARZZKRQIAIRE-UHFFFAOYSA-N	-1	0	297.383	3.690	20	30		CHEDRM
CC(C)Nc1ccc(Nc2cc(C#N)ccc2O)cc1	ZINC001201497405	1123111165	/nfs/dbraw/zinc/11/11/65/1123111165.db2.gz	GTPHGTYCWACKMI-UHFFFAOYSA-N	-1	0	267.332	3.828	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2\CCc3ccc(F)cc3C2=O)cc1	ZINC000776191640	1123112469	/nfs/dbraw/zinc/11/24/69/1123112469.db2.gz	FBUGMMJSIZLLHG-NTEUORMPSA-N	-1	0	296.297	3.736	20	30		CHEDRM
COc1ccc(C#N)cc1Nc1ccccc1[S-]	ZINC001201585187	1123128170	/nfs/dbraw/zinc/12/81/70/1123128170.db2.gz	DPIBFTLSBGBSFH-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1cccc(C)c1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001202205904	1123187123	/nfs/dbraw/zinc/18/71/23/1123187123.db2.gz	IALBQURTQLVOBJ-UHFFFAOYSA-N	-1	0	281.315	3.525	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2nc3c(s2)CCCC3)c([O-])c1	ZINC000776264826	1123190109	/nfs/dbraw/zinc/19/01/09/1123190109.db2.gz	JJFYPZUNBYHJOC-HJWRWDBZSA-N	-1	0	299.395	3.932	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2cccc(Cl)c2)c1	ZINC001202247639	1123193269	/nfs/dbraw/zinc/19/32/69/1123193269.db2.gz	VJBCIJSBPBFAIY-UHFFFAOYSA-N	-1	0	287.706	3.561	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CCCC23CC3)ccc1Cl	ZINC000853258653	1123430836	/nfs/dbraw/zinc/43/08/36/1123430836.db2.gz	XVGRANUHHGFTOK-UHFFFAOYSA-N	-1	0	278.739	3.770	20	30		CHEDRM
CC(=NN1CCCC[C@@H]1C)[C@H](C)CCCCC(=O)[O-]	ZINC000853381481	1123437754	/nfs/dbraw/zinc/43/77/54/1123437754.db2.gz	DJDPKLGICPPLSH-OLZOCXBDSA-N	-1	0	268.401	3.518	20	30		CHEDRM
CC(=NN1CCCC[C@H]1C)[C@H](C)CCCCC(=O)[O-]	ZINC000853381480	1123438044	/nfs/dbraw/zinc/43/80/44/1123438044.db2.gz	DJDPKLGICPPLSH-CHWSQXEVSA-N	-1	0	268.401	3.518	20	30		CHEDRM
C#CCCCCCC(=O)Nc1cc(F)c(O)cc1Cl	ZINC000885676954	1123480986	/nfs/dbraw/zinc/48/09/86/1123480986.db2.gz	XSJMUPVEUWGTJK-UHFFFAOYSA-N	-1	0	283.730	3.707	20	30		CHEDRM
CC(C)C(C)N=Nc1nc2ccccc2[nH]c1=S	ZINC000863128375	1123847603	/nfs/dbraw/zinc/84/76/03/1123847603.db2.gz	MABJCVHQUYSTBG-UHFFFAOYSA-N	-1	0	260.366	3.736	20	30		CHEDRM
CSCCON=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000794575064	1123904249	/nfs/dbraw/zinc/90/42/49/1123904249.db2.gz	VWEGXHZVWGHNGL-UHFFFAOYSA-N	-1	0	294.203	3.803	20	30		CHEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])[C@H](C)O1	ZINC000864346876	1123924404	/nfs/dbraw/zinc/92/44/04/1123924404.db2.gz	FYJLIFGXSUQBCS-GVNSEXTGSA-N	-1	0	288.174	3.684	20	30		CHEDRM
O=C([O-])c1cc(N=NC[C@@H]2CCCSC2)ccc1Cl	ZINC000794854439	1123999419	/nfs/dbraw/zinc/99/94/19/1123999419.db2.gz	GGVSUBKQLWEXLX-VIFPVBQESA-N	-1	0	298.795	3.579	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccccc1	ZINC000794926195	1124072385	/nfs/dbraw/zinc/07/23/85/1124072385.db2.gz	JDKYIHHPBCNNDE-CMDGGOBGSA-N	-1	0	280.323	3.898	20	30		CHEDRM
O=C(/C=C\c1ccc(F)cc1F)c1ccccc1[O-]	ZINC000207160916	1124458664	/nfs/dbraw/zinc/45/86/64/1124458664.db2.gz	PSRVYCAIOIMQNY-VURMDHGXSA-N	-1	0	260.239	3.567	20	30		CHEDRM
N#Cc1cc(Nc2ccc3cc(N)ccc3c2)c([O-])cc1F	ZINC001159813364	1131285625	/nfs/dbraw/zinc/28/56/25/1131285625.db2.gz	GFLDRPZUTKVUPV-UHFFFAOYSA-N	-1	0	293.301	3.882	20	30		CHEDRM
Cc1cnc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)c1	ZINC001122720775	1131302147	/nfs/dbraw/zinc/30/21/47/1131302147.db2.gz	FRWZZKLAXJOBBK-GFCCVEGCSA-N	-1	0	299.399	3.768	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3ccc(C(=O)[O-])cc3F)cc12	ZINC001239256582	1131308182	/nfs/dbraw/zinc/30/81/82/1131308182.db2.gz	MBSSUSLMVVTATA-UHFFFAOYSA-N	-1	0	280.258	3.544	20	30		CHEDRM
N#CCc1cc(F)cc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239364579	1131320953	/nfs/dbraw/zinc/32/09/53/1131320953.db2.gz	CXQZPQJLZTYKAK-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
O=C([O-])c1c(F)cc(-c2ccc(CS)cc2)cc1F	ZINC001239363899	1131321577	/nfs/dbraw/zinc/32/15/77/1131321577.db2.gz	ZHMZRGKFXOAGIX-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000129525064	1125341523	/nfs/dbraw/zinc/34/15/23/1125341523.db2.gz	FZIXUHLUYCVYOS-SOFGYWHQSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#Cc1ccc2nccc(-c3ccc(C(=O)[O-])s3)c2c1	ZINC001240848789	1129376699	/nfs/dbraw/zinc/37/66/99/1129376699.db2.gz	ZGLXRXLDKSSSMO-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
C=C(C)c1cncc(-c2cc(C(=O)[O-])ccc2C)c1	ZINC001241000832	1129399212	/nfs/dbraw/zinc/39/92/12/1129399212.db2.gz	MYAPYQKFHZFJLC-UHFFFAOYSA-N	-1	0	253.301	3.788	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@@H]2C2CCCCC2)c1	ZINC000741465767	1129437026	/nfs/dbraw/zinc/43/70/26/1129437026.db2.gz	YFXDNYOPPKVKAA-IGIWSDCRSA-N	-1	0	288.347	3.688	20	30		CHEDRM
O=C([O-])c1cc(N=NCC2CCCC2)ccc1Cl	ZINC000741837848	1129455276	/nfs/dbraw/zinc/45/52/76/1129455276.db2.gz	OTHPSIXWBDULIM-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)cc(F)c1C#N	ZINC001241246466	1129498156	/nfs/dbraw/zinc/49/81/56/1129498156.db2.gz	UWIJBWJBHSMSQW-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1C	ZINC000303012278	1129519619	/nfs/dbraw/zinc/51/96/19/1129519619.db2.gz	JUSYONRWAYPLQF-VMPITWQZSA-N	-1	0	297.310	3.813	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1ccc(Cl)c([O-])c1	ZINC001212593306	1129743568	/nfs/dbraw/zinc/74/35/68/1129743568.db2.gz	KQZRFKGURCYEQU-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2F)cc(F)c1C#N	ZINC001242379393	1129802306	/nfs/dbraw/zinc/80/23/06/1129802306.db2.gz	CKLUXANHPOWZSU-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc3ccsc32)c1	ZINC000768324300	1129850589	/nfs/dbraw/zinc/85/05/89/1129850589.db2.gz	ZOGGTVISYXBQEX-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
C[C@H]1CC[C@@H](CN=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000800805132	1129889033	/nfs/dbraw/zinc/88/90/33/1129889033.db2.gz	JOBKMPYEGRPYCV-VHSXEESVSA-N	-1	0	280.755	3.872	20	30		CHEDRM
C=C(Cl)C[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901939507	1129966699	/nfs/dbraw/zinc/96/66/99/1129966699.db2.gz	TWZKJADYGZSQQC-PWSUYJOCSA-N	-1	0	293.750	3.679	20	30		CHEDRM
C#CCCCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000771515109	1129983132	/nfs/dbraw/zinc/98/31/32/1129983132.db2.gz	YWDZBRZNPFMNIT-UHFFFAOYSA-N	-1	0	283.730	3.707	20	30		CHEDRM
[O-]/N=C/c1cc(-c2ccncc2)cc(C(F)(F)F)c1	ZINC001239611305	1130011548	/nfs/dbraw/zinc/01/15/48/1130011548.db2.gz	RWZTVVZAFLUNRD-QGMBQPNBSA-N	-1	0	266.222	3.576	20	30		CHEDRM
C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000903106725	1130113364	/nfs/dbraw/zinc/11/33/64/1130113364.db2.gz	UORNFXABMBTXNE-QMMMGPOBSA-N	-1	0	285.174	3.653	20	30		CHEDRM
COc1cncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)c1	ZINC001239930480	1130156527	/nfs/dbraw/zinc/15/65/27/1130156527.db2.gz	LUOPLGONMSNJMO-KPSZGOFPSA-N	-1	0	296.248	3.584	20	30		CHEDRM
O=C(/C=C/c1ncc(C(F)(F)F)s1)c1ccccc1[O-]	ZINC000788354023	1130183387	/nfs/dbraw/zinc/18/33/87/1130183387.db2.gz	FGKVOWQXVXSODA-AATRIKPKSA-N	-1	0	299.273	3.764	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)CCCC2CCCC2)c1	ZINC000748411941	1130230895	/nfs/dbraw/zinc/23/08/95/1130230895.db2.gz	DWENANQCAQKXKS-UHFFFAOYSA-N	-1	0	272.348	3.563	20	30		CHEDRM
Cc1cc(F)ccc1/C=C1/Cc2cc(O)ccc2C1=O	ZINC000780188507	1130233918	/nfs/dbraw/zinc/23/39/18/1130233918.db2.gz	MJLUIJQBQCPROU-QPEQYQDCSA-N	-1	0	268.287	3.662	20	30		CHEDRM
O=C(/C=C/c1ccsc1Cl)c1ccc(O)cc1[O-]	ZINC000790221578	1130301775	/nfs/dbraw/zinc/30/17/75/1130301775.db2.gz	CVWWAZGMTOPKPB-DAFODLJHSA-N	-1	0	280.732	3.709	20	30		CHEDRM
Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1CC#N	ZINC001240549708	1130352025	/nfs/dbraw/zinc/35/20/25/1130352025.db2.gz	ASEMRRVFWHIBQU-VMPITWQZSA-N	-1	0	277.323	3.826	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(CCC#N)c1	ZINC001240735430	1130447298	/nfs/dbraw/zinc/44/72/98/1130447298.db2.gz	YNSQWFRJEXLTHJ-UHFFFAOYSA-N	-1	0	281.311	3.517	20	30		CHEDRM
O=C(/C=C\c1cncc2ccccc12)c1ccc([O-])c(F)c1	ZINC000772808725	1130477718	/nfs/dbraw/zinc/47/77/18/1130477718.db2.gz	WJRYREFNVXSEST-SREVYHEPSA-N	-1	0	293.297	3.976	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1ccc(C(=O)[O-])s1	ZINC001240844395	1130490146	/nfs/dbraw/zinc/49/01/46/1130490146.db2.gz	UQRLIXBEKIUZMJ-UHFFFAOYSA-N	-1	0	259.330	3.545	20	30		CHEDRM
CC[C@@H](NN=C1CCCC[C@H](c2ccccc2)C1)C(=O)[O-]	ZINC000793058629	1130517952	/nfs/dbraw/zinc/51/79/52/1130517952.db2.gz	XHLHDYWOAFWDNR-GOEBONIOSA-N	-1	0	288.391	3.543	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240976379	1130546594	/nfs/dbraw/zinc/54/65/94/1130546594.db2.gz	ZHTXBVPCDJUYGE-GFCCVEGCSA-N	-1	0	265.312	3.608	20	30		CHEDRM
N#Cc1c(-c2ccccc2)ccnc1-c1ccccc1[O-]	ZINC001241001802	1130559693	/nfs/dbraw/zinc/55/96/93/1130559693.db2.gz	HTYHUBHNMPTMLQ-UHFFFAOYSA-N	-1	0	272.307	3.993	20	30		CHEDRM
O=C(/C=C\c1nc(Cl)cs1)c1ccc([O-])c(F)c1	ZINC000759085767	1130636303	/nfs/dbraw/zinc/63/63/03/1130636303.db2.gz	YBCYMDTYGQHKLN-ARJAWSKDSA-N	-1	0	283.711	3.537	20	30		CHEDRM
COc1cc(/C=C/C(C)=O)ccc1O[C@@H](C)C1=CC=C[CH]1	ZINC001234340442	1130637424	/nfs/dbraw/zinc/63/74/24/1130637424.db2.gz	YLWNSBKGMPBKLC-VFNNOXKTSA-N	-1	0	283.347	3.765	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2cccc(F)c2C#N)c1	ZINC000811692172	1130638537	/nfs/dbraw/zinc/63/85/37/1130638537.db2.gz	CIQUWOLXPAIYCZ-SOFGYWHQSA-N	-1	0	281.286	3.608	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CC(c2ccc(F)cc2)C1	ZINC000759195688	1130642817	/nfs/dbraw/zinc/64/28/17/1130642817.db2.gz	DZEHLOJFYLFSAE-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1coc2ccccc12	ZINC000747755624	1130663535	/nfs/dbraw/zinc/66/35/35/1130663535.db2.gz	RXEJMTISYRILCC-UHFFFAOYSA-N	-1	0	294.310	3.967	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NOC2CCC2)cc1Cl	ZINC000812235290	1130676840	/nfs/dbraw/zinc/67/68/40/1130676840.db2.gz	RHXUBVZTGAFZRD-UHFFFAOYSA-N	-1	0	260.120	3.602	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1cccc(F)c1	ZINC001234818838	1130678826	/nfs/dbraw/zinc/67/88/26/1130678826.db2.gz	FLHYECAMCGZZAW-LLVKDONJSA-N	-1	0	259.280	3.774	20	30		CHEDRM
Cc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])c(C)c1	ZINC000812444334	1130691126	/nfs/dbraw/zinc/69/11/26/1130691126.db2.gz	CTRSJBOLCMOQDT-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235458691	1130747135	/nfs/dbraw/zinc/74/71/35/1130747135.db2.gz	LGZBUXUFAJIYGR-FPYGCLRLSA-N	-1	0	281.286	3.657	20	30		CHEDRM
N#CCc1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1F	ZINC001235458648	1130747962	/nfs/dbraw/zinc/74/79/62/1130747962.db2.gz	LBJCAWTXIBLOGI-RMKNXTFCSA-N	-1	0	281.286	3.657	20	30		CHEDRM
N#CCc1ccc(-c2c(F)cc(F)c([O-])c2F)c(F)c1	ZINC001235996064	1130825869	/nfs/dbraw/zinc/82/58/69/1130825869.db2.gz	SNVKVKZPXXBBPI-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2c(F)cc(F)c([O-])c2F)[nH]1	ZINC001235999026	1130826426	/nfs/dbraw/zinc/82/64/26/1130826426.db2.gz	UVSLVQCILYKKGF-UHFFFAOYSA-N	-1	0	288.228	3.829	20	30		CHEDRM
Cc1ccc(-c2c(F)cc(F)c([O-])c2F)c(C)c1C#N	ZINC001236002910	1130828220	/nfs/dbraw/zinc/82/82/20/1130828220.db2.gz	UTFXLYSFINLEJZ-UHFFFAOYSA-N	-1	0	277.245	3.965	20	30		CHEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(C)c2Cl)ncc1C#N	ZINC001236113754	1130867727	/nfs/dbraw/zinc/86/77/27/1130867727.db2.gz	LVLFKBVRQLKGLN-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
Cc1nccc(-c2ccc(C(=O)[O-])c(C)c2Cl)c1C#N	ZINC001236134617	1130874635	/nfs/dbraw/zinc/87/46/35/1130874635.db2.gz	KVSZVHFVRRFKRH-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
CC#Cc1cncc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001236164912	1130878385	/nfs/dbraw/zinc/87/83/85/1130878385.db2.gz	RMXREKGHUCECLB-UHFFFAOYSA-N	-1	0	289.693	3.611	20	30		CHEDRM
C[C@@H]1CC(N=Nc2ccc3ccccc3n2)CC[C@@H]1C(=O)[O-]	ZINC000814697609	1130896975	/nfs/dbraw/zinc/89/69/75/1130896975.db2.gz	VNBPAKLNCGLQFT-RISCZKNCSA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1ccc(F)c(-c2ncc(C#N)c3ccccc32)c1[O-]	ZINC001236390338	1130925016	/nfs/dbraw/zinc/92/50/16/1130925016.db2.gz	JJBVIAICDZPPFD-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CCC(C(=O)[O-])CC1	ZINC000814859147	1130925094	/nfs/dbraw/zinc/92/50/94/1130925094.db2.gz	NSJBIUADMTZYIV-UEWDXFNNSA-N	-1	0	268.401	3.566	20	30		CHEDRM
Cc1ccc(F)c(-c2cc(C#N)c(C(F)(F)F)cn2)c1[O-]	ZINC001236389071	1130925669	/nfs/dbraw/zinc/92/56/69/1130925669.db2.gz	AIEZTFRYBYUQHO-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
Cc1ccnc(N=NC(C)CCCCCCC(=O)[O-])c1	ZINC000814867545	1130925777	/nfs/dbraw/zinc/92/57/77/1130925777.db2.gz	JLFCZIHCFFAZAX-UHFFFAOYSA-N	-1	0	277.368	3.603	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000814858743	1130928518	/nfs/dbraw/zinc/92/85/18/1130928518.db2.gz	FQDWWMXKNZJPGK-IPYPFGDCSA-N	-1	0	282.428	3.812	20	30		CHEDRM
CC(=NNc1cccc(F)c1F)c1csc(C(=O)[O-])c1	ZINC000814858812	1130928579	/nfs/dbraw/zinc/92/85/79/1130928579.db2.gz	DRKXAJVWIQAZSW-UHFFFAOYSA-N	-1	0	296.298	3.561	20	30		CHEDRM
CC(=NNCCC(C)(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814901232	1130931800	/nfs/dbraw/zinc/93/18/00/1130931800.db2.gz	FBPXXCNDGOOTFG-OLZOCXBDSA-N	-1	0	282.428	3.525	20	30		CHEDRM
O=C([O-])c1cccc2c1CC(=NOC1CCCCC1)CC2	ZINC000814909712	1130934664	/nfs/dbraw/zinc/93/46/64/1130934664.db2.gz	JYSJTTMOLCNPJV-UHFFFAOYSA-N	-1	0	287.359	3.579	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NNCC1CCCC1	ZINC000814933369	1130938827	/nfs/dbraw/zinc/93/88/27/1130938827.db2.gz	MHYNPOWIGBHKEU-UHFFFAOYSA-N	-1	0	268.401	3.567	20	30		CHEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NN1CCC(C(C)(C)C)CC1	ZINC000814913122	1130942119	/nfs/dbraw/zinc/94/21/19/1130942119.db2.gz	HIRWVZFYWRIUAX-STQMWFEESA-N	-1	0	294.439	3.621	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCCc2ccccc2)c1	ZINC000798068801	1131023551	/nfs/dbraw/zinc/02/35/51/1131023551.db2.gz	XEFUQOWQWMBWAM-QGOAFFKASA-N	-1	0	298.342	3.742	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C\c2cccc(C#N)c2)c([O-])c1	ZINC000799894663	1131112898	/nfs/dbraw/zinc/11/28/98/1131112898.db2.gz	AZXSYHJCBGHXEK-SREVYHEPSA-N	-1	0	277.323	3.777	20	30		CHEDRM
O=c1[n-]c(N=NC2CC3(C2)CCCCC3)nc2ccccc21	ZINC000817326570	1131153459	/nfs/dbraw/zinc/15/34/59/1131153459.db2.gz	YNCJNWQJJNAKIX-UHFFFAOYSA-N	-1	0	296.374	3.848	20	30		CHEDRM
N=C(Nc1cc(F)ccc1[S-])c1ccc2ccccc2n1	ZINC001171048416	1131457110	/nfs/dbraw/zinc/45/71/10/1131457110.db2.gz	ONHOKTHOMIECCF-UHFFFAOYSA-N	-1	0	297.358	3.700	20	30		CHEDRM
CCc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2C)o1	ZINC000844623353	1131586556	/nfs/dbraw/zinc/58/65/56/1131586556.db2.gz	JDDNPDKOJKGUEI-UHFFFAOYSA-N	-1	0	286.331	3.685	20	30		CHEDRM
C=CC[C@@H](C)C(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623833	1131586670	/nfs/dbraw/zinc/58/66/70/1131586670.db2.gz	MWSSZRXHGZEVID-SNVBAGLBSA-N	-1	0	260.337	3.693	20	30		CHEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@@H]1C[C@@H]1C	ZINC000844624497	1131587061	/nfs/dbraw/zinc/58/70/61/1131587061.db2.gz	YJWMCUHBJSFVIP-JOYOIKCWSA-N	-1	0	260.337	3.527	20	30		CHEDRM
Cc1c(N=NC(C)CCC(F)(F)F)cccc1C(=O)[O-]	ZINC000844625106	1131587152	/nfs/dbraw/zinc/58/71/52/1131587152.db2.gz	VTRVJWAHYBXPDA-UHFFFAOYSA-N	-1	0	288.269	3.824	20	30		CHEDRM
CCCC(CC)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009877	1131753510	/nfs/dbraw/zinc/75/35/10/1131753510.db2.gz	GRQLZZUCDFKYGG-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCCF)c(F)c1	ZINC000835008284	1131753531	/nfs/dbraw/zinc/75/35/31/1131753531.db2.gz	ICWSQSCGZHCIRY-SNVBAGLBSA-N	-1	0	296.317	3.842	20	30		CHEDRM
C[C@]12C[C@H]1CCCC2N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835007903	1131753700	/nfs/dbraw/zinc/75/37/00/1131753700.db2.gz	BPLVMFHCVZRXSC-BMIGLBTASA-N	-1	0	276.311	3.502	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCCCC2)c(F)c1	ZINC000835012678	1131755541	/nfs/dbraw/zinc/75/55/41/1131755541.db2.gz	RVRPIEZCNMMWJI-UHFFFAOYSA-N	-1	0	264.300	3.646	20	30		CHEDRM
CC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011539	1131755701	/nfs/dbraw/zinc/75/57/01/1131755701.db2.gz	HDMRSCKDKBTCBB-VIFPVBQESA-N	-1	0	264.300	3.502	20	30		CHEDRM
C=CC[C@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228387181	1131873360	/nfs/dbraw/zinc/87/33/60/1131873360.db2.gz	KZXLBCKUKDQDQX-LBPRGKRZSA-N	-1	0	276.723	3.532	20	30		CHEDRM
O=C(C=Cc1cncc2ccccc12)c1sccc1[O-]	ZINC000773144125	1131960842	/nfs/dbraw/zinc/96/08/42/1131960842.db2.gz	YKYNXLCZGKXEBY-WAYWQWQTSA-N	-1	0	281.336	3.898	20	30		CHEDRM
C=CCOc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000773151166	1131964748	/nfs/dbraw/zinc/96/47/48/1131964748.db2.gz	UZEYRLIJJDPTTM-VOTSOKGWSA-N	-1	0	286.352	3.915	20	30		CHEDRM
C=CC[C@@H](CCCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228972851	1131989693	/nfs/dbraw/zinc/98/96/93/1131989693.db2.gz	DZSAQHQPZAPQAQ-NSHDSACASA-N	-1	0	281.308	3.520	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000836747230	1131990888	/nfs/dbraw/zinc/99/08/88/1131990888.db2.gz	BWLYOEUUIAEYHF-UHFFFAOYSA-N	-1	0	293.363	3.692	20	30		CHEDRM
Cc1cc([S-])ccc1O[C@@H](C#N)c1ccccc1	ZINC001229634718	1132099348	/nfs/dbraw/zinc/09/93/48/1132099348.db2.gz	LBAPATURKONANZ-HNNXBMFYSA-N	-1	0	255.342	3.927	20	30		CHEDRM
CCCCCCC[C@H](CC)n1[n-]c2ccnc(=O)c-2c1N	ZINC001172356215	1132186147	/nfs/dbraw/zinc/18/61/47/1132186147.db2.gz	GTQMBHJSIDEETD-LBPRGKRZSA-N	-1	0	290.411	3.570	20	30		CHEDRM
C#CC[C@@H](CC)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210818	1132270865	/nfs/dbraw/zinc/27/08/65/1132270865.db2.gz	YFCRGEWTYXLDDI-CQSZACIVSA-N	-1	0	294.350	3.804	20	30		CHEDRM
CC(C)(C)c1noc([N-]c2c(F)cccc2F)c1C#N	ZINC001173859607	1132561932	/nfs/dbraw/zinc/56/19/32/1132561932.db2.gz	UMHQVBHIWCRKBU-UHFFFAOYSA-N	-1	0	277.274	3.866	20	30		CHEDRM
N#CCCN(Cc1ccccc1)Cc1ccc([S-])cc1	ZINC001233258362	1132591354	/nfs/dbraw/zinc/59/13/54/1132591354.db2.gz	BVYCFVIEAGYVFJ-UHFFFAOYSA-N	-1	0	282.412	3.891	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919466	1132698776	/nfs/dbraw/zinc/69/87/76/1132698776.db2.gz	TZSCTKBPBBSXGE-OSAQELSMSA-N	-1	0	286.375	3.727	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496562	1132862597	/nfs/dbraw/zinc/86/25/97/1132862597.db2.gz	MUFRDBPPWYIYIL-SOFGYWHQSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#CCc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174500370	1132883141	/nfs/dbraw/zinc/88/31/41/1132883141.db2.gz	PUZJSXLLTIHPAV-BQYQJAHWSA-N	-1	0	278.311	3.594	20	30		CHEDRM
C#CCOc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001174501075	1132903361	/nfs/dbraw/zinc/90/33/61/1132903361.db2.gz	XXMBSPAEUVVFGG-IZZDOVSWSA-N	-1	0	293.322	3.540	20	30		CHEDRM
C=C1CC=C(F)C=C1Nc1[n-]c2ncnc-2cc1Cl	ZINC001160716266	1132979573	/nfs/dbraw/zinc/97/95/73/1132979573.db2.gz	IKNNWKREEPUWNK-UHFFFAOYSA-N	-1	0	276.702	3.720	20	30		CHEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC001164450689	1133219541	/nfs/dbraw/zinc/21/95/41/1133219541.db2.gz	DSMMNDPGVWCCCC-AWEZNQCLSA-N	-1	0	291.391	3.510	20	30		CHEDRM
N#Cc1ccc(C=CNc2ccc([S-])cc2)cc1	ZINC001203305541	1133313068	/nfs/dbraw/zinc/31/30/68/1133313068.db2.gz	JBQQARIMVCXTEP-MDZDMXLPSA-N	-1	0	252.342	3.930	20	30		CHEDRM
Cn1cc(Nc2cc(C#N)c(F)cc2[O-])c2ccccc21	ZINC001203425398	1133327411	/nfs/dbraw/zinc/32/74/11/1133327411.db2.gz	ZRCKNAKBNUJNOZ-UHFFFAOYSA-N	-1	0	281.290	3.638	20	30		CHEDRM
N#Cc1cc2cc(-c3ccc(F)c(C(=O)[O-])c3F)ccc2[nH]1	ZINC001205096118	1133528950	/nfs/dbraw/zinc/52/89/50/1133528950.db2.gz	XVRLGKALSMJBDL-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#Cc1nc2c(cccc2-c2ccsc2C(=O)[O-])s1	ZINC001205609812	1133593817	/nfs/dbraw/zinc/59/38/17/1133593817.db2.gz	FVFWWZJUPPTSPI-UHFFFAOYSA-N	-1	0	286.337	3.595	20	30		CHEDRM
N#Cc1nccc2cc(-c3ccsc3C(=O)[O-])ccc12	ZINC001205610518	1133595246	/nfs/dbraw/zinc/59/52/46/1133595246.db2.gz	XDUZEABQTCNXNR-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#CCc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)ccc1F	ZINC001206038740	1133646253	/nfs/dbraw/zinc/64/62/53/1133646253.db2.gz	PCBDVUSLROYIIQ-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206051121	1133649293	/nfs/dbraw/zinc/64/92/93/1133649293.db2.gz	CCIOKKOLVZEZNC-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2csc(C(=O)[O-])c2)n1	ZINC001206265812	1133679116	/nfs/dbraw/zinc/67/91/16/1133679116.db2.gz	PMXCTAKGKSFHRG-UHFFFAOYSA-N	-1	0	286.356	3.677	20	30		CHEDRM
N#Cc1nc2c(cccc2-c2csc(C(=O)[O-])c2)s1	ZINC001206298893	1133685611	/nfs/dbraw/zinc/68/56/11/1133685611.db2.gz	SKXRGSQZHKBPMV-UHFFFAOYSA-N	-1	0	286.337	3.595	20	30		CHEDRM
CC(C)(C)Oc1ncccc1Nc1scc([O-])c1C#N	ZINC001206494815	1133710351	/nfs/dbraw/zinc/71/03/51/1133710351.db2.gz	IYWGZRIIKNHKHI-UHFFFAOYSA-N	-1	0	289.360	3.641	20	30		CHEDRM
COc1cc(C#N)ccc1Nc1ccccc1[S-]	ZINC001209328782	1134005026	/nfs/dbraw/zinc/00/50/26/1134005026.db2.gz	NAJFUGBCSREMNS-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(C#N)ccc1F	ZINC001210007394	1134121509	/nfs/dbraw/zinc/12/15/09/1134121509.db2.gz	DVXWZBJDHXNRGE-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1ncccc1Nc1c([S-])cccc1Cl	ZINC001210148234	1134157093	/nfs/dbraw/zinc/15/70/93/1134157093.db2.gz	ZZNWGCKIUXMWHQ-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1Nc1cc(C#N)c(C)cc1C	ZINC001210260730	1134181076	/nfs/dbraw/zinc/18/10/76/1134181076.db2.gz	OYNANVWZFPHUJM-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1ccc(Nc2cccc([O-])c2Cl)c(C#N)c1	ZINC001210569230	1134250757	/nfs/dbraw/zinc/25/07/57/1134250757.db2.gz	FVXRJRYHQMQIHY-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
COc1cc(Nc2ccccc2C#N)ccc1[S-]	ZINC001210742597	1134288185	/nfs/dbraw/zinc/28/81/85/1134288185.db2.gz	SHEZBWFDJCAPAS-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
COc1cc(Nc2ccc(C#N)c(C)c2)ccc1[S-]	ZINC001210809093	1134301226	/nfs/dbraw/zinc/30/12/26/1134301226.db2.gz	YDADUACGPTURDY-UHFFFAOYSA-N	-1	0	270.357	3.908	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2ccccc2n1	ZINC001210814399	1134302750	/nfs/dbraw/zinc/30/27/50/1134302750.db2.gz	UYVJYQAVORZMJL-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
N#Cc1cc(Nc2ccc3ccccc3n2)c([O-])cc1F	ZINC001210820915	1134304040	/nfs/dbraw/zinc/30/40/40/1134304040.db2.gz	UVITYXTUYXWXTA-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
N#Cc1cc(F)cc(F)c1Nc1cccc([O-])c1Cl	ZINC001210860254	1134314817	/nfs/dbraw/zinc/31/48/17/1134314817.db2.gz	SFFVAJQKJLTZOA-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cc(Nc2cccc(OC3CC3)c2)c([O-])cc1F	ZINC001210864491	1134317731	/nfs/dbraw/zinc/31/77/31/1134317731.db2.gz	SNZBHXCKDQVCNZ-UHFFFAOYSA-N	-1	0	284.290	3.688	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC001210924963	1134329127	/nfs/dbraw/zinc/32/91/27/1134329127.db2.gz	ZFBSHOYYFDDPAX-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1ncc(Nc2cccc([S-])c2)cc1Cl	ZINC001210946134	1134336024	/nfs/dbraw/zinc/33/60/24/1134336024.db2.gz	CJKWDLDCIGPEMS-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
COc1c(Nc2c(C)cc(C#N)cc2C)cccc1C(=O)[O-]	ZINC001211036737	1134353629	/nfs/dbraw/zinc/35/36/29/1134353629.db2.gz	CQXYRLXNKVIAJA-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
COc1cc(C#N)cc(Nc2cc(F)c([O-])c(Cl)c2)c1	ZINC001214492176	1134544786	/nfs/dbraw/zinc/54/47/86/1134544786.db2.gz	SCJHBIJENDNRAG-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1ccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)s1	ZINC001214739694	1134568782	/nfs/dbraw/zinc/56/87/82/1134568782.db2.gz	BSAGSFSLRFTTLN-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
COc1cccc(C#N)c1Nc1ccc(Cl)c([O-])c1F	ZINC001214801314	1134574647	/nfs/dbraw/zinc/57/46/47/1134574647.db2.gz	JDMLSVNHSDEIOD-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cccc(-c2noc(-c3ccccc3[S-])n2)c1	ZINC001215307572	1134616589	/nfs/dbraw/zinc/61/65/89/1134616589.db2.gz	FNHGDCFRTHJSRW-UHFFFAOYSA-N	-1	0	279.324	3.564	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2ccsc2C(=O)[O-])cc1	ZINC001215394275	1134622579	/nfs/dbraw/zinc/62/25/79/1134622579.db2.gz	SBLYYAPQUNEYBU-UHFFFAOYSA-N	-1	0	286.356	3.991	20	30		CHEDRM
COCc1cc(C)c(Nc2scc([O-])c2C#N)c(C)c1	ZINC001215529971	1134638560	/nfs/dbraw/zinc/63/85/60/1134638560.db2.gz	COQLVIGWKAYHLE-UHFFFAOYSA-N	-1	0	288.372	3.832	20	30		CHEDRM
CSc1cc(Nc2scc([O-])c2C#N)ccc1F	ZINC001215794918	1134689311	/nfs/dbraw/zinc/68/93/11/1134689311.db2.gz	ZCXVNHICTUJTOG-UHFFFAOYSA-N	-1	0	280.349	3.930	20	30		CHEDRM
CCOc1cc(C)ccc1Nc1scc([O-])c1C#N	ZINC001215875216	1134710744	/nfs/dbraw/zinc/71/07/44/1134710744.db2.gz	RVCBHAXQUNJILZ-UHFFFAOYSA-N	-1	0	274.345	3.776	20	30		CHEDRM
Cc1noc([N-]c2cc(-c3ccccc3)cnc2F)c1C#N	ZINC001216068715	1134765191	/nfs/dbraw/zinc/76/51/91/1134765191.db2.gz	UJUDZTJVNREFGU-UHFFFAOYSA-N	-1	0	294.289	3.799	20	30		CHEDRM
Cc1c(CO)ccc(Nc2scc([O-])c2C#N)c1Cl	ZINC001216326608	1134856059	/nfs/dbraw/zinc/85/60/59/1134856059.db2.gz	JBCMKMSTBXGHSI-UHFFFAOYSA-N	-1	0	294.763	3.523	20	30		CHEDRM
Cc1cccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1C	ZINC001216969979	1134956575	/nfs/dbraw/zinc/95/65/75/1134956575.db2.gz	VXDXDIMWFMZELN-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
CCc1ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1	ZINC001216979981	1134957028	/nfs/dbraw/zinc/95/70/28/1134957028.db2.gz	NSDYAQIQYPSWPS-UHFFFAOYSA-N	-1	0	291.310	3.543	20	30		CHEDRM
Cc1cc(-c2c(F)cc(C(=O)[O-])cc2F)ccc1CC#N	ZINC001222408016	1135237707	/nfs/dbraw/zinc/23/77/07/1135237707.db2.gz	OZSYARYRENWDBS-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001222412530	1135238854	/nfs/dbraw/zinc/23/88/54/1135238854.db2.gz	MXSSQWQZPNEKNJ-SECBINFHSA-N	-1	0	287.265	3.957	20	30		CHEDRM
N#CCc1cc(F)cc(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222424640	1135240506	/nfs/dbraw/zinc/24/05/06/1135240506.db2.gz	CQKSRWYOCKJOPG-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1c(F)cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1F	ZINC001222686401	1135263656	/nfs/dbraw/zinc/26/36/56/1135263656.db2.gz	PZIHHACIPPWFIL-UHFFFAOYSA-N	-1	0	299.276	3.620	20	30		CHEDRM
C#CC[C@@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940828	1135286220	/nfs/dbraw/zinc/28/62/20/1135286220.db2.gz	YAAMFQLSZREXLT-VGGUHSJCSA-N	-1	0	287.693	3.539	20	30		CHEDRM
CC(C)[C@H](O/C(=N\[O-])c1cc(F)ccc1F)C(F)(F)F	ZINC001223888320	1135394847	/nfs/dbraw/zinc/39/48/47/1135394847.db2.gz	HITIOPCLEATEFF-NRKMXEHJSA-N	-1	0	297.223	3.704	20	30		CHEDRM
CCCC[C@@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223892579	1135394572	/nfs/dbraw/zinc/39/45/72/1135394572.db2.gz	JURSULAVGWDBTL-WGKGOADCSA-N	-1	0	295.379	3.825	20	30		CHEDRM
C=CCC[C@@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891751	1135394883	/nfs/dbraw/zinc/39/48/83/1135394883.db2.gz	RWZMGWDHBWLAQJ-WGKGOADCSA-N	-1	0	293.363	3.601	20	30		CHEDRM
CCCCCCC[C@@H](CCC)OCC[P@@](=O)([O-])O	ZINC001224602358	1135461401	/nfs/dbraw/zinc/46/14/01/1135461401.db2.gz	QMGSENYDGRXRIM-CYBMUJFWSA-N	-1	0	280.345	3.710	20	30		CHEDRM
CCCCCCCCC[C@H](C)OCC[P@@](=O)([O-])O	ZINC001224602314	1135461474	/nfs/dbraw/zinc/46/14/74/1135461474.db2.gz	QCWUEGBTFLRCNG-ZDUSSCGKSA-N	-1	0	280.345	3.710	20	30		CHEDRM
N#C[C@H](Oc1ccccc1[S-])c1ccccc1F	ZINC001225586437	1135591261	/nfs/dbraw/zinc/59/12/61/1135591261.db2.gz	DWAGHBTWTUFTBW-ZDUSSCGKSA-N	-1	0	259.305	3.758	20	30		CHEDRM
C=C[C@@H](CCCCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225620922	1135598283	/nfs/dbraw/zinc/59/82/83/1135598283.db2.gz	XVRVLQRNGJMPRU-NSHDSACASA-N	-1	0	265.309	3.814	20	30		CHEDRM
CCCCC[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013636	1135652704	/nfs/dbraw/zinc/65/27/04/1135652704.db2.gz	PDJAKDFKJXHJPH-LLVKDONJSA-N	-1	0	266.316	3.536	20	30		CHEDRM
CCC[C@@H](CC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226062964	1135659095	/nfs/dbraw/zinc/65/90/95/1135659095.db2.gz	ADJXIHOFDHQDMM-MRVPVSSYSA-N	-1	0	288.269	3.635	20	30		CHEDRM
C=CC[C@@H](C(=O)NCc1ccc(O)c(F)c1)c1ccccc1	ZINC000186894751	262327718	/nfs/dbraw/zinc/32/77/18/262327718.db2.gz	QSTUKNMWBYTQGU-OAHLLOKOSA-N	-1	0	299.345	3.507	20	30		CHEDRM
CCC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1	ZINC000330780754	264036134	/nfs/dbraw/zinc/03/61/34/264036134.db2.gz	NXLBDRVODWOLSJ-UHFFFAOYSA-N	-1	0	292.335	3.575	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1F	ZINC000171482371	329076341	/nfs/dbraw/zinc/07/63/41/329076341.db2.gz	HJNSHSWEGMRXMD-LBPRGKRZSA-N	-1	0	294.285	3.765	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2cccc(C(F)F)c2)n1	ZINC000171565210	329077474	/nfs/dbraw/zinc/07/74/74/329077474.db2.gz	DLMRTYPJHHZASZ-LLVKDONJSA-N	-1	0	292.310	3.879	20	30		CHEDRM
CC(C)(CCC#N)CN=c1nc(C2CCCCC2)[n-]s1	ZINC000420641699	329780690	/nfs/dbraw/zinc/78/06/90/329780690.db2.gz	SYPQMLBIICPPIP-UHFFFAOYSA-N	-1	0	292.452	3.750	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000262552403	330018003	/nfs/dbraw/zinc/01/80/03/330018003.db2.gz	UBTGIGSETKZDAV-UHFFFAOYSA-N	-1	0	287.359	3.709	20	30		CHEDRM
Cc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1Cl	ZINC000435749011	330662088	/nfs/dbraw/zinc/66/20/88/330662088.db2.gz	QRBMRSBNVVGEAM-GQCTYLIASA-N	-1	0	298.729	3.784	20	30		CHEDRM
C=CCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000125121722	333563990	/nfs/dbraw/zinc/56/39/90/333563990.db2.gz	GGGOXYLGZBYEDB-UHFFFAOYSA-N	-1	0	260.120	3.604	20	30		CHEDRM
O=C(N=c1cn[n-]s1)N1CCC[C@H]1CCC1CCCC1	ZINC000330256207	534331471	/nfs/dbraw/zinc/33/14/71/534331471.db2.gz	KKSYNYCEAKVOIO-LBPRGKRZSA-N	-1	0	294.424	3.518	20	30		CHEDRM
CCCc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000737044931	600590313	/nfs/dbraw/zinc/59/03/13/600590313.db2.gz	KTFBRMSSAXCUPT-QGZVFWFLSA-N	-1	0	294.354	3.749	20	30		CHEDRM
C=CCCCCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000736097349	600623520	/nfs/dbraw/zinc/62/35/20/600623520.db2.gz	JEMIDHDBTQWTEL-UHFFFAOYSA-N	-1	0	290.363	3.595	20	30		CHEDRM
Cc1cccc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738746327	600937425	/nfs/dbraw/zinc/93/74/25/600937425.db2.gz	HWNRENCFKIMHQC-HNNXBMFYSA-N	-1	0	283.352	3.785	20	30		CHEDRM
CCOc1cccc(C=Nc2ccc(C)c(C(=O)[O-])c2)c1O	ZINC000830100242	601177545	/nfs/dbraw/zinc/17/75/45/601177545.db2.gz	ZNLUPXGDXXQCLE-UHFFFAOYSA-N	-1	0	299.326	3.548	20	30		CHEDRM
CC(C)c1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000827124477	601297446	/nfs/dbraw/zinc/29/74/46/601297446.db2.gz	MQQUZOCACDFTRZ-QGZVFWFLSA-N	-1	0	294.354	3.919	20	30		CHEDRM
CC(C)(C#N)CCCNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000826070980	601552853	/nfs/dbraw/zinc/55/28/53/601552853.db2.gz	HFZDWZNUMOWUGP-UHFFFAOYSA-N	-1	0	280.755	3.780	20	30		CHEDRM
N#Cc1ccccc1SCc1ccsc1C(=O)[O-]	ZINC000833076372	601896055	/nfs/dbraw/zinc/89/60/55/601896055.db2.gz	CLMJPDVQXQVUFY-UHFFFAOYSA-N	-1	0	275.354	3.610	20	30		CHEDRM
C=CCCCCCN(C)C(=O)c1ccc(NC(=O)[O-])cc1	ZINC000736097219	603008548	/nfs/dbraw/zinc/00/85/48/603008548.db2.gz	AFPQUKUITQERIG-UHFFFAOYSA-N	-1	0	290.363	3.595	20	30		CHEDRM
COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1C	ZINC000832280350	604627024	/nfs/dbraw/zinc/62/70/24/604627024.db2.gz	BJNUBNKNWLIQJB-YCRREMRBSA-N	-1	0	296.322	3.598	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000832967103	604630073	/nfs/dbraw/zinc/63/00/73/604630073.db2.gz	BZROPRHQKTZWRI-YHYXMXQVSA-N	-1	0	266.296	3.589	20	30		CHEDRM
CC(N=Nc1cccc(F)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814815162	604637753	/nfs/dbraw/zinc/63/77/53/604637753.db2.gz	OYIVSMUUMSSJQN-LLVKDONJSA-N	-1	0	280.343	3.895	20	30		CHEDRM
CC(C)(C#N)c1ccccc1CNc1ccccc1C(=O)[O-]	ZINC000826081340	604641613	/nfs/dbraw/zinc/64/16/13/604641613.db2.gz	OTVBNOFAFUXXOF-UHFFFAOYSA-N	-1	0	294.354	3.798	20	30		CHEDRM
CCC1(C)CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763372111	604669311	/nfs/dbraw/zinc/66/93/11/604669311.db2.gz	SOBULMBIINQORP-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
C=C(CC)CSCc1ccccc1CC(=O)[O-]	ZINC000833370541	605009388	/nfs/dbraw/zinc/00/93/88/605009388.db2.gz	PKLRQIXQFANUNI-UHFFFAOYSA-N	-1	0	250.363	3.513	20	30		CHEDRM
C=C(CC)CS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000833371029	605009448	/nfs/dbraw/zinc/00/94/48/605009448.db2.gz	VDJUIIDRLXRXLX-LLVKDONJSA-N	-1	0	295.404	3.600	20	30		CHEDRM
C=C(CC)CNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833369812	605038823	/nfs/dbraw/zinc/03/88/23/605038823.db2.gz	FXPYIQOCKZQYSB-UHFFFAOYSA-N	-1	0	284.153	3.525	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1occc1C	ZINC000833386455	605155862	/nfs/dbraw/zinc/15/58/62/605155862.db2.gz	GOLHEFJNQFMEQW-UHFFFAOYSA-N	-1	0	292.722	3.776	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000398198794	605251534	/nfs/dbraw/zinc/25/15/34/605251534.db2.gz	DPXYHVMJBHTNJX-GFCCVEGCSA-N	-1	0	290.363	3.560	20	30		CHEDRM
CC(C)(CCC#N)CNc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000833457077	605545363	/nfs/dbraw/zinc/54/53/63/605545363.db2.gz	KYPACPLDFQMCQK-UHFFFAOYSA-N	-1	0	288.391	3.791	20	30		CHEDRM
C#CCCCCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000833361991	605575229	/nfs/dbraw/zinc/57/52/29/605575229.db2.gz	VHFRSRLNKKWRNH-UHFFFAOYSA-N	-1	0	293.388	3.585	20	30		CHEDRM
C=CCCCCCCCNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001602719087	971382008	/nfs/dbraw/zinc/38/20/08/971382008.db2.gz	OTOVMSNIVZFVEV-UHFFFAOYSA-N	-1	0	295.423	3.664	20	30		CHEDRM
CCCCCCCC[C@@H](C)CC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001589644824	949712883	/nfs/dbraw/zinc/71/28/83/949712883.db2.gz	AYPXBDZGAJLKIY-CABCVRRESA-N	-1	0	297.439	3.696	20	30		CHEDRM
CC1(c2ccccc2)CC(N=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000729632459	1125465589	/nfs/dbraw/zinc/46/55/89/1125465589.db2.gz	QWZNQWDOKFQSRR-UHFFFAOYSA-N	-1	0	294.354	3.904	20	30		CHEDRM
N#Cc1ccc(F)c(CSc2ccc(C(=O)[O-])cc2)c1	ZINC000019399583	957108923	/nfs/dbraw/zinc/10/89/23/957108923.db2.gz	CWSFTTCNSXHNPI-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1	ZINC000108276635	958375780	/nfs/dbraw/zinc/37/57/80/958375780.db2.gz	LOYDPLGHYGKNBM-KMKOMSMNSA-N	-1	0	286.714	3.934	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001573841246	961076668	/nfs/dbraw/zinc/07/66/68/961076668.db2.gz	RMDTTYSUVRFQHT-GJZGRUSLSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-]	ZINC001573351372	962978153	/nfs/dbraw/zinc/97/81/53/962978153.db2.gz	SKPAUTMDAPMIKZ-UHFFFAOYSA-N	-1	0	287.359	3.709	20	30		CHEDRM
N#Cc1cc(Cl)cc(OCc2ccc(C(=O)[O-])s2)c1	ZINC000311562137	963491211	/nfs/dbraw/zinc/49/12/11/963491211.db2.gz	YIVIBIZMXYYTRJ-UHFFFAOYSA-N	-1	0	293.731	3.550	20	30		CHEDRM
C=C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-]	ZINC000312230887	963545414	/nfs/dbraw/zinc/54/54/14/963545414.db2.gz	FPTGLISVOQVPIN-OAHLLOKOSA-N	-1	0	269.300	3.530	20	30		CHEDRM
C#CCCCCCCNc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001588442731	964058765	/nfs/dbraw/zinc/05/87/65/964058765.db2.gz	WDOAGHHPYVYYLV-HNNXBMFYSA-N	-1	0	287.403	3.945	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000398065549	973063650	/nfs/dbraw/zinc/06/36/50/973063650.db2.gz	DPPMOVJEUUIIPJ-LBPRGKRZSA-N	-1	0	290.363	3.560	20	30		CHEDRM
CCCCCCCCCN(C)C(=O)C1(C(=O)[O-])CC=CC1	ZINC001603640371	973981531	/nfs/dbraw/zinc/98/15/31/973981531.db2.gz	FFFDIKMTRXXCLU-UHFFFAOYSA-N	-1	0	295.423	3.616	20	30		CHEDRM
C[C@@H](CC(=O)[O-])c1ccc(-c2ccc(C#N)s2)cc1	ZINC001592424812	978047825	/nfs/dbraw/zinc/04/78/25/978047825.db2.gz	XBQDJIGZGDJJCU-JTQLQIEISA-N	-1	0	271.341	3.865	20	30		CHEDRM
COc1ccc(C)cc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000765823385	978723848	/nfs/dbraw/zinc/72/38/48/978723848.db2.gz	DKGRDNNJYQHLBY-BQYQJAHWSA-N	-1	0	296.322	3.598	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccsc2Cl)c1	ZINC000790141672	978798568	/nfs/dbraw/zinc/79/85/68/978798568.db2.gz	RKSCTUMCVLABAM-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
CC(C)[C@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000794525686	978812782	/nfs/dbraw/zinc/81/27/82/978812782.db2.gz	FPZNGRHWYNMUFJ-HNNXBMFYSA-N	-1	0	297.358	3.617	20	30		CHEDRM
CC(N=Nc1ccccc1F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814789667	978885759	/nfs/dbraw/zinc/88/57/59/978885759.db2.gz	LWWFRQCIFOPYJL-NSHDSACASA-N	-1	0	280.343	3.895	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(Cl)c2F)CC[C@@H]1CC(=O)[O-]	ZINC000814818709	978888271	/nfs/dbraw/zinc/88/82/71/978888271.db2.gz	FVVWFWIQQPUBTK-DTWKUNHWSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc3cnccc32)CC[C@H]1CC(=O)[O-]	ZINC000814835849	978890981	/nfs/dbraw/zinc/89/09/81/978890981.db2.gz	DGWGZPPVDGIQCN-NEPJUHHUSA-N	-1	0	297.358	3.524	20	30		CHEDRM
C=C1CCC(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000909113331	981420361	/nfs/dbraw/zinc/42/03/61/981420361.db2.gz	SGLWZVMHNFOVTI-UHFFFAOYSA-N	-1	0	293.750	3.723	20	30		CHEDRM
CCCC[C@H](S[C@@H](C#N)Cc1ccc(C)cc1)C(=O)[O-]	ZINC001595651550	982023302	/nfs/dbraw/zinc/02/33/02/982023302.db2.gz	HUOVHWQAPNVHIB-CABCVRRESA-N	-1	0	291.416	3.806	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910702015	982071964	/nfs/dbraw/zinc/07/19/64/982071964.db2.gz	AFDCFIYMFYIXKM-UHFFFAOYSA-N	-1	0	296.392	3.506	20	30		CHEDRM
CCCCCCCCCNC(=O)c1ccsc1C(=O)[O-]	ZINC001595705377	982284859	/nfs/dbraw/zinc/28/48/59/982284859.db2.gz	YKOLEXFMUXYYCB-UHFFFAOYSA-N	-1	0	297.420	3.927	20	30		CHEDRM
CC[C@@H](C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001594928311	982535400	/nfs/dbraw/zinc/53/54/00/982535400.db2.gz	GIXAXCLRIHXGPV-PRHODGIISA-N	-1	0	283.780	3.803	20	30		CHEDRM
C#CC1CCC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC001588382644	983372843	/nfs/dbraw/zinc/37/28/43/983372843.db2.gz	RJWGNNWMDQOUAP-UHFFFAOYSA-N	-1	0	290.750	3.630	20	30		CHEDRM
C=C(C)C[C@H](NC(=O)C1CCC(CCCC)CC1)C(=O)[O-]	ZINC001588537728	983601662	/nfs/dbraw/zinc/60/16/62/983601662.db2.gz	WWKHZYFWYFTCBQ-NRXISQOPSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC001588605729	983694247	/nfs/dbraw/zinc/69/42/47/983694247.db2.gz	KOJUBPNZVFQGAJ-UHFFFAOYSA-N	-1	0	281.377	3.604	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2cc(C(=O)[O-])oc2C)c1	ZINC001588605891	983695067	/nfs/dbraw/zinc/69/50/67/983695067.db2.gz	QLTAFBRQIWNKHI-UHFFFAOYSA-N	-1	0	285.299	3.572	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC001588605981	983696047	/nfs/dbraw/zinc/69/60/47/983696047.db2.gz	SDERBUQGDGJCSA-UHFFFAOYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(C)(C)CC)cc1	ZINC001588629784	983739409	/nfs/dbraw/zinc/73/94/09/983739409.db2.gz	TXYLTONQPMBZNE-UHFFFAOYSA-N	-1	0	289.375	3.734	20	30		CHEDRM
C=CC[C@@H](C(=O)[O-])N1CCc2c1cccc2-c1ccccc1	ZINC001588731582	984009671	/nfs/dbraw/zinc/00/96/71/984009671.db2.gz	KRRMCEGTQGRPIB-SFHVURJKSA-N	-1	0	293.366	3.745	20	30		CHEDRM
C=CC[C@@H](Sc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC001588759105	984109534	/nfs/dbraw/zinc/10/95/34/984109534.db2.gz	PIHKBRKBORFEDW-CYBMUJFWSA-N	-1	0	250.363	3.931	20	30		CHEDRM
C=CCC[C@H](C)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001588777567	984156932	/nfs/dbraw/zinc/15/69/32/984156932.db2.gz	DKMKSBYIJSRXJL-OLZOCXBDSA-N	-1	0	261.365	3.716	20	30		CHEDRM
C=CCCCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588803956	984252851	/nfs/dbraw/zinc/25/28/51/984252851.db2.gz	PIAIBTQRTCZAAQ-UHFFFAOYSA-N	-1	0	298.342	3.626	20	30		CHEDRM
C=CCCc1ccccc1NCc1ccoc1C(=O)[O-]	ZINC001588817370	984275998	/nfs/dbraw/zinc/27/59/98/984275998.db2.gz	JBNCKKKJJFHULQ-UHFFFAOYSA-N	-1	0	271.316	3.709	20	30		CHEDRM
CC(C)(C#N)CCCCSCc1cncc(C(=O)[O-])c1	ZINC001589553733	987293119	/nfs/dbraw/zinc/29/31/19/987293119.db2.gz	JCGJXAZXUASRNU-UHFFFAOYSA-N	-1	0	292.404	3.733	20	30		CHEDRM
CC(C)(C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001589722521	987891584	/nfs/dbraw/zinc/89/15/84/987891584.db2.gz	IRCDRODOEVOEHF-NSHDSACASA-N	-1	0	283.780	3.803	20	30		CHEDRM
CC(C)[C@@H]1c2ccccc2C(=O)/C1=C/c1c[nH]c(C(=O)[O-])c1	ZINC001591067603	991514175	/nfs/dbraw/zinc/51/41/75/991514175.db2.gz	GGVWNNMLRVDAIP-SNQWNFELSA-N	-1	0	295.338	3.732	20	30		CHEDRM
COc1cccc(C(=O)[O-])c1CSc1ccc(C#N)cc1	ZINC001599645694	994421813	/nfs/dbraw/zinc/42/18/13/994421813.db2.gz	YFKFDWWWQUHINO-UHFFFAOYSA-N	-1	0	299.351	3.557	20	30		CHEDRM
CC1(C)CCC/C(=C/c2ccc(/C=C\C(=O)[O-])o2)C1=O	ZINC001593885523	996722475	/nfs/dbraw/zinc/72/24/75/996722475.db2.gz	MMUVIJDUXXXRAZ-NQLNTKRDSA-N	-1	0	274.316	3.540	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1F	ZINC001211965057	1125532290	/nfs/dbraw/zinc/53/22/90/1125532290.db2.gz	LNBQWUFMEOCOSP-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001211969323	1125543751	/nfs/dbraw/zinc/54/37/51/1125543751.db2.gz	DAYRERGNEBYRRH-UHFFFAOYSA-N	-1	0	297.701	3.525	20	30		CHEDRM
Cc1ccsc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000757476765	1125773875	/nfs/dbraw/zinc/77/38/75/1125773875.db2.gz	RZMVTAKGRIRCKM-NSCUHMNNSA-N	-1	0	280.295	3.936	20	30		CHEDRM
COc1cc(/C=C/C(=O)c2ccc(C)cc2[O-])cc(OC)c1	ZINC000757476370	1125774138	/nfs/dbraw/zinc/77/41/38/1125774138.db2.gz	QJFOEVXOEJUEBH-FNORWQNLSA-N	-1	0	298.338	3.614	20	30		CHEDRM
COC[C@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000887270530	1125780938	/nfs/dbraw/zinc/78/09/38/1125780938.db2.gz	PCPPKVVNURHIJA-MEHAOHDOSA-N	-1	0	288.174	3.543	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000910954866	1127074809	/nfs/dbraw/zinc/07/48/09/1127074809.db2.gz	QMLQSJDRJKCGIZ-UHFFFAOYSA-N	-1	0	287.359	3.654	20	30		CHEDRM
N#Cc1cc(O)cc(C(=O)Nc2csc3ccccc23)c1	ZINC000589197807	1127215190	/nfs/dbraw/zinc/21/51/90/1127215190.db2.gz	AIKAQJMWCBWJRV-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
C[C@@H]1COCC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000760989199	1127356221	/nfs/dbraw/zinc/35/62/21/1127356221.db2.gz	AHZIBDFTZQOCPX-INNUNFDBSA-N	-1	0	288.174	3.543	20	30		CHEDRM
CCC(CC)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000596259852	1127488131	/nfs/dbraw/zinc/48/81/31/1127488131.db2.gz	BQCPAAUWUPCWQD-UHFFFAOYSA-N	-1	0	277.412	3.779	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361527194	1127569786	/nfs/dbraw/zinc/56/97/86/1127569786.db2.gz	QUVKHPFGBVKQKI-HNNXBMFYSA-N	-1	0	276.295	3.626	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)s1	ZINC000007333298	1127689310	/nfs/dbraw/zinc/68/93/10/1127689310.db2.gz	UPKUZCICFVKKER-ZZXKWVIFSA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000915105801	1128282768	/nfs/dbraw/zinc/28/27/68/1128282768.db2.gz	FHAPPYKKMPLICV-FLIBITNWSA-N	-1	0	280.323	3.518	20	30		CHEDRM
N#C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C1CCCCC1	ZINC000762829897	1128320470	/nfs/dbraw/zinc/32/04/70/1128320470.db2.gz	LHXNLDPAKLUCMC-AWEZNQCLSA-N	-1	0	293.750	3.675	20	30		CHEDRM
CCCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916259900	1128413120	/nfs/dbraw/zinc/41/31/20/1128413120.db2.gz	UYSHDOMMOAZUBR-UHFFFAOYSA-N	-1	0	254.717	3.626	20	30		CHEDRM
Cc1ccc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cc2)c1	ZINC000916240536	1128412379	/nfs/dbraw/zinc/41/23/79/1128412379.db2.gz	GFNOVPKYGMYBLV-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
CCCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000917531081	1128505262	/nfs/dbraw/zinc/50/52/62/1128505262.db2.gz	SXWBDHLJKUXVJZ-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
Cc1ccccc1C[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000917556873	1128507032	/nfs/dbraw/zinc/50/70/32/1128507032.db2.gz	QDHVQRGDUQBWHQ-FHXOWUIVSA-N	-1	0	298.342	3.659	20	30		CHEDRM
CCc1sc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1C	ZINC000041574831	1128548039	/nfs/dbraw/zinc/54/80/39/1128548039.db2.gz	ZYIHVGUZFRLARQ-LBPRGKRZSA-N	-1	0	299.399	3.516	20	30		CHEDRM
Cc1c(Cl)c(-c2ccc(C#N)cc2C#N)ccc1C(=O)[O-]	ZINC001236128691	1128571717	/nfs/dbraw/zinc/57/17/17/1128571717.db2.gz	PUMZZIYKCRZACQ-UHFFFAOYSA-N	-1	0	296.713	3.757	20	30		CHEDRM
CC1(C)c2ccccc2C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000920069830	1128662684	/nfs/dbraw/zinc/66/26/84/1128662684.db2.gz	CSMFHNDKGCXJBO-LFIBNONCSA-N	-1	0	292.334	3.942	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1ccco1	ZINC000920943572	1128695334	/nfs/dbraw/zinc/69/53/34/1128695334.db2.gz	PTIRCJBULUHWGJ-UUASQNMZSA-N	-1	0	270.115	3.911	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCCCCCC2)c1	ZINC000920942393	1128695455	/nfs/dbraw/zinc/69/54/55/1128695455.db2.gz	BWLCJYPUJVAGGV-WJDWOHSUSA-N	-1	0	276.336	3.832	20	30		CHEDRM
N#CC1(c2ccc(Nc3cc(O)c(F)c(F)c3)cc2)CC1	ZINC001212258115	1128713426	/nfs/dbraw/zinc/71/34/26/1128713426.db2.gz	QBAFPXAMWCHOJM-UHFFFAOYSA-N	-1	0	286.281	3.969	20	30		CHEDRM
N#CC1(c2ccc(Nc3ccc(C(=O)[O-])cc3)cc2)CC1	ZINC001212258098	1128713611	/nfs/dbraw/zinc/71/36/11/1128713611.db2.gz	PFDGQXLVYGDTFK-UHFFFAOYSA-N	-1	0	278.311	3.684	20	30		CHEDRM
CCc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000048501863	1128713989	/nfs/dbraw/zinc/71/39/89/1128713989.db2.gz	OXQFHEZMYOQLQD-OVCLIPMQSA-N	-1	0	290.344	3.543	20	30		CHEDRM
N#CCc1c[nH]c2ccc(-c3ccccc3C(=O)[O-])cc12	ZINC000579843672	1117907884	/nfs/dbraw/zinc/90/78/84/1117907884.db2.gz	QHGMNEURHZSNTL-UHFFFAOYSA-N	-1	0	276.295	3.599	20	30		CHEDRM
N#CC(=C([O-])C=C(C1CC1)C1CC1)c1nc(C2CC2)cs1	ZINC000842943394	1118176239	/nfs/dbraw/zinc/17/62/39/1118176239.db2.gz	WAIDDKFVFMLUQI-CQSZACIVSA-N	-1	0	298.411	3.943	20	30		CHEDRM
CCc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)o1	ZINC000083982189	1118254519	/nfs/dbraw/zinc/25/45/19/1118254519.db2.gz	NZTZNOVMBPCXQM-HWKANZROSA-N	-1	0	278.254	3.722	20	30		CHEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1	ZINC000045098585	1118371025	/nfs/dbraw/zinc/37/10/25/1118371025.db2.gz	VZKCXOPHPBSNQT-UHFFFAOYSA-N	-1	0	297.420	3.721	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCCCCCC1	ZINC000046568688	1118391589	/nfs/dbraw/zinc/39/15/89/1118391589.db2.gz	DBNYRSIWWNJYIE-UHFFFAOYSA-N	-1	0	260.337	3.897	20	30		CHEDRM
COc1cccc(C#N)c1Nc1cccc([O-])c1Cl	ZINC001210854608	1118408867	/nfs/dbraw/zinc/40/88/67/1118408867.db2.gz	HRFSYWHHBMMJCE-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
Cc1ccsc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000048380342	1118415899	/nfs/dbraw/zinc/41/58/99/1118415899.db2.gz	PDXUFXYIDCEGAI-IHWYPQMZSA-N	-1	0	278.354	3.712	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c(O)cc2F)c(F)c1F	ZINC001215573351	1118529098	/nfs/dbraw/zinc/52/90/98/1118529098.db2.gz	GRDAEIUBWFBMLZ-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
O=C(/C=C\c1ccc(F)cc1)c1ccc([O-])c(F)c1	ZINC000255310517	1118603746	/nfs/dbraw/zinc/60/37/46/1118603746.db2.gz	BJKYZPDQNAOSIK-CLTKARDFSA-N	-1	0	260.239	3.567	20	30		CHEDRM
CC(=NOC(C)C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000834999447	1118747037	/nfs/dbraw/zinc/74/70/37/1118747037.db2.gz	BRLWIDQEXOJNAT-UHFFFAOYSA-N	-1	0	262.136	3.848	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c([O-])c1	ZINC000255405377	1118843067	/nfs/dbraw/zinc/84/30/67/1118843067.db2.gz	MGRUEBAEYSTWIX-HYXAFXHYSA-N	-1	0	269.325	3.530	20	30		CHEDRM
Cc1cc(F)ccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728439176	1118947413	/nfs/dbraw/zinc/94/74/13/1118947413.db2.gz	WSDUSGLDLZYWNJ-UTCJRWHESA-N	-1	0	274.266	3.875	20	30		CHEDRM
O=C(/C=C\c1ccc2cnccc2c1)c1ccccc1[O-]	ZINC000782341901	1119092594	/nfs/dbraw/zinc/09/25/94/1119092594.db2.gz	MLXNEWJONGNNEP-VURMDHGXSA-N	-1	0	275.307	3.837	20	30		CHEDRM
Cc1cc(Nc2cc(Cl)ccc2C#N)cc(C(=O)[O-])c1	ZINC001211547395	1119100476	/nfs/dbraw/zinc/10/04/76/1119100476.db2.gz	NVCVOWFPBXFXDL-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
CCCCCCCCC(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000103357306	1119539228	/nfs/dbraw/zinc/53/92/28/1119539228.db2.gz	SKKCEMPWTFGKDC-AWEZNQCLSA-N	-1	0	283.412	3.593	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)o1	ZINC000647371187	1119698740	/nfs/dbraw/zinc/69/87/40/1119698740.db2.gz	LYKABMORKIGGHA-LBPRGKRZSA-N	-1	0	286.356	3.720	20	30		CHEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)n1C(C)C	ZINC000179739755	1119758759	/nfs/dbraw/zinc/75/87/59/1119758759.db2.gz	OOFCQFLDESAENV-UHFFFAOYSA-N	-1	0	297.358	3.515	20	30		CHEDRM
CC(C)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179731329	1119759035	/nfs/dbraw/zinc/75/90/35/1119759035.db2.gz	IGRNMJYAFBDGLF-KRWDZBQOSA-N	-1	0	294.354	3.642	20	30		CHEDRM
C=CCC1(CNC(=O)CC(CC)(CC)C(=O)[O-])CCCC1	ZINC000414092414	1119893824	/nfs/dbraw/zinc/89/38/24/1119893824.db2.gz	MUPSIHGRMFABQI-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
N#CC(=C([O-])c1ccc(F)s1)c1nc(C2CC2)cs1	ZINC000659116421	1120015764	/nfs/dbraw/zinc/01/57/64/1120015764.db2.gz	VCMRNIAYDOGQQM-QMMMGPOBSA-N	-1	0	292.360	3.711	20	30		CHEDRM
C=C(C)CN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000183059934	1120130098	/nfs/dbraw/zinc/13/00/98/1120130098.db2.gz	KDVIHLGTRUJGRD-UHFFFAOYSA-N	-1	0	289.762	3.847	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](CC)C(C)C	ZINC000073838396	1120642974	/nfs/dbraw/zinc/64/29/74/1120642974.db2.gz	RKZGKNMEUBYTFD-NSHDSACASA-N	-1	0	277.430	3.534	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=CCCCC2)n1	ZINC000124594020	1120668429	/nfs/dbraw/zinc/66/84/29/1120668429.db2.gz	XIAPJVQODXWDNL-GFCCVEGCSA-N	-1	0	274.389	3.943	20	30		CHEDRM
Cc1cc(Nc2c(C#N)ccc(F)c2F)ccc1C(=O)[O-]	ZINC001211663718	1120708208	/nfs/dbraw/zinc/70/82/08/1120708208.db2.gz	XPSOPCHMYHMRHR-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174809687	1121056165	/nfs/dbraw/zinc/05/61/65/1121056165.db2.gz	OZZNATWKUAJVBF-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
COc1c(C)cc(Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001174997688	1121124800	/nfs/dbraw/zinc/12/48/00/1121124800.db2.gz	RQJJAWHEJNJIEB-UHFFFAOYSA-N	-1	0	286.306	3.772	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(C#N)cn1C(C)(C)C	ZINC001174981620	1121140119	/nfs/dbraw/zinc/14/01/19/1121140119.db2.gz	MALXSAOCOSRXCW-UHFFFAOYSA-N	-1	0	297.358	3.865	20	30		CHEDRM
Cc1ccc(Nc2cc(C(=O)[O-])ccc2C)c(C#N)c1	ZINC001174982149	1121140175	/nfs/dbraw/zinc/14/01/75/1121140175.db2.gz	MHHQSGHXEKLVSO-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1oc(Nc2cc(C(=O)[O-])ccc2C)c(C#N)c1C	ZINC001174981993	1121140313	/nfs/dbraw/zinc/14/03/13/1121140313.db2.gz	TXHDVOAKCJUXSW-UHFFFAOYSA-N	-1	0	270.288	3.518	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)c(F)cc1C#N	ZINC001174983571	1121141048	/nfs/dbraw/zinc/14/10/48/1121141048.db2.gz	CVUQBZZTUFEUNF-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cccc(Cl)c1C#N	ZINC001174984428	1121142852	/nfs/dbraw/zinc/14/28/52/1121142852.db2.gz	PBQIZUGYRBONSR-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
CCOc1cccc(F)c1Nc1scc([O-])c1C#N	ZINC001175224113	1121230989	/nfs/dbraw/zinc/23/09/89/1121230989.db2.gz	QRSYRSYNILPSAQ-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
CCOc1cccc(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001175225318	1121231882	/nfs/dbraw/zinc/23/18/82/1121231882.db2.gz	TZUXVKIFQPDRQD-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1F	ZINC001175319397	1121281050	/nfs/dbraw/zinc/28/10/50/1121281050.db2.gz	WVUUQNTUKGHQLR-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cc(Nc2cccc(C(=O)[O-])c2)ccc1Cl	ZINC001175331761	1121286695	/nfs/dbraw/zinc/28/66/95/1121286695.db2.gz	MKCHEWNTWCIGJA-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
Cc1ccc(C=CNc2scc([O-])c2C#N)cc1	ZINC001176423419	1121631306	/nfs/dbraw/zinc/63/13/06/1121631306.db2.gz	BCGREMOMAZNNIC-VOTSOKGWSA-N	-1	0	256.330	3.717	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176586861	1121648186	/nfs/dbraw/zinc/64/81/86/1121648186.db2.gz	NZAZEGSBWJYSOM-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176590187	1121649363	/nfs/dbraw/zinc/64/93/63/1121649363.db2.gz	NQDSIUWIRITBBG-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1C#N	ZINC001176595979	1121651238	/nfs/dbraw/zinc/65/12/38/1121651238.db2.gz	YMUOECIIDMQXLQ-WEVVVXLNSA-N	-1	0	278.311	3.708	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])cc2)c1C#N	ZINC001176713691	1121690050	/nfs/dbraw/zinc/69/00/50/1121690050.db2.gz	LWWIAUSGECTIDE-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
CCCC[C@@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000727255072	1121707778	/nfs/dbraw/zinc/70/77/78/1121707778.db2.gz	CDLRVVFNJWGZBC-SECBINFHSA-N	-1	0	282.775	3.594	20	30		CHEDRM
CCC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000729149725	1121757911	/nfs/dbraw/zinc/75/79/11/1121757911.db2.gz	OGWROWSWZGZXOK-JVVDOCDTSA-N	-1	0	299.330	3.656	20	30		CHEDRM
Cc1cc(C)cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730149785	1121794640	/nfs/dbraw/zinc/79/46/40/1121794640.db2.gz	ZIXBMROKBRMKAG-ONEGZZNKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)ccc1F	ZINC000730148114	1121794856	/nfs/dbraw/zinc/79/48/56/1121794856.db2.gz	BUFVQNIASLZGFC-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/C=C/c2ccccc2)cs1	ZINC000730148227	1121794899	/nfs/dbraw/zinc/79/48/99/1121794899.db2.gz	CKMSQMMUBMGCDQ-KBXRYBNXSA-N	-1	0	284.336	3.899	20	30		CHEDRM
Cc1ccc2c(c1)[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC2	ZINC000730146974	1121795328	/nfs/dbraw/zinc/79/53/28/1121795328.db2.gz	IYGCHKQNVBNJRL-VHWUNXFSSA-N	-1	0	296.326	3.715	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(F)c2F)s1	ZINC000730730334	1121822417	/nfs/dbraw/zinc/82/24/17/1121822417.db2.gz	XKSCMABAZUJQNY-PLNGDYQASA-N	-1	0	294.278	3.621	20	30		CHEDRM
CCCNC(=S)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000730954979	1121838324	/nfs/dbraw/zinc/83/83/24/1121838324.db2.gz	QLLGTDYSYFUDBJ-NSHDSACASA-N	-1	0	293.461	3.635	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1F	ZINC000731490481	1121869921	/nfs/dbraw/zinc/86/99/21/1121869921.db2.gz	XPRIKQXCLGDWKX-PLNGDYQASA-N	-1	0	290.315	3.790	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249962942	1121974636	/nfs/dbraw/zinc/97/46/36/1121974636.db2.gz	JKVMLFGBGMFSEC-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)c([O-])cc2F)ccc1O	ZINC001250026073	1122093337	/nfs/dbraw/zinc/09/33/37/1122093337.db2.gz	KVLRPDDOFFHEAW-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
N#CCCCCc1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001250066887	1122175021	/nfs/dbraw/zinc/17/50/21/1122175021.db2.gz	UGMSTPRCTRVGGR-UHFFFAOYSA-N	-1	0	272.131	3.928	20	30		CHEDRM
N#Cc1cc(NC(=O)c2ccc(C3CC3)cc2)c([O-])cc1F	ZINC001194171204	1122753743	/nfs/dbraw/zinc/75/37/43/1122753743.db2.gz	AKGBJRMVYKLFOY-UHFFFAOYSA-N	-1	0	296.301	3.533	20	30		CHEDRM
N#Cc1cccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)c1	ZINC000439283460	1122768453	/nfs/dbraw/zinc/76/84/53/1122768453.db2.gz	ZBZZDSXDUNMERZ-FPLPWBNLSA-N	-1	0	290.278	3.568	20	30		CHEDRM
N#Cc1ccccc1NC(=S)Nc1ccccc1[S-]	ZINC001196318975	1122916545	/nfs/dbraw/zinc/91/65/45/1122916545.db2.gz	QTXBRCDOQYCQCW-UHFFFAOYSA-N	-1	0	285.397	3.656	20	30		CHEDRM
CN(Cc1cccc(C#N)c1)Cc1cccc(O)c1Cl	ZINC000507189663	1122937616	/nfs/dbraw/zinc/93/76/16/1122937616.db2.gz	WEGZDYFBKROMPQ-UHFFFAOYSA-N	-1	0	286.762	3.549	20	30		CHEDRM
N#Cc1cccc(NC(=S)Nc2ccc([S-])cc2)c1	ZINC001197712888	1122967630	/nfs/dbraw/zinc/96/76/30/1122967630.db2.gz	YGVXJWLSHYBQNF-UHFFFAOYSA-N	-1	0	285.397	3.656	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000430601801	1123017255	/nfs/dbraw/zinc/01/72/55/1123017255.db2.gz	KJHQQFJIPSDBDZ-OAHLLOKOSA-N	-1	0	290.322	3.880	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000007333328	1123248954	/nfs/dbraw/zinc/24/89/54/1123248954.db2.gz	KHCSVESFNSKKTE-AATRIKPKSA-N	-1	0	272.325	3.651	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2csc3ccccc23)cc1[O-]	ZINC000443112912	1123357452	/nfs/dbraw/zinc/35/74/52/1123357452.db2.gz	HIYUEEAYXJMEEQ-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909512417	1123442016	/nfs/dbraw/zinc/44/20/16/1123442016.db2.gz	DMJILKYLRDLROG-MRXNPFEDSA-N	-1	0	275.348	3.542	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cc(F)cc(Cl)c1	ZINC000776724733	1123480367	/nfs/dbraw/zinc/48/03/67/1123480367.db2.gz	RLRATODFWGPEIU-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CCCCCCCCCC(=O)Nc1c(C)[nH][nH]c1=O	ZINC000854634749	1123490679	/nfs/dbraw/zinc/49/06/79/1123490679.db2.gz	HIKWZMIAWWRISE-UHFFFAOYSA-N	-1	0	267.373	3.503	20	30		CHEDRM
CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c(O)c1	ZINC000331260396	1123649094	/nfs/dbraw/zinc/64/90/94/1123649094.db2.gz	BDOLYJLMJNQLPB-BXUZGUMPSA-N	-1	0	272.348	3.537	20	30		CHEDRM
O=C([O-])c1cc(N=NC[C@H]2CCCSC2)ccc1Cl	ZINC000794854436	1123999066	/nfs/dbraw/zinc/99/90/66/1123999066.db2.gz	GGVSUBKQLWEXLX-SECBINFHSA-N	-1	0	298.795	3.579	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccccc1	ZINC000794926196	1124072886	/nfs/dbraw/zinc/07/28/86/1124072886.db2.gz	JDKYIHHPBCNNDE-HJWRWDBZSA-N	-1	0	280.323	3.898	20	30		CHEDRM
C=CCNN=C(CC)c1cc(Cl)cc(Cl)c1[O-]	ZINC000794998541	1124459929	/nfs/dbraw/zinc/45/99/29/1124459929.db2.gz	LEADLQRQMWJIRX-UHFFFAOYSA-N	-1	0	273.163	3.589	20	30		CHEDRM
CC(C)Oc1cnc(F)c(-c2ccc(/C=N/[O-])c(F)c2)c1	ZINC001238902857	1131268004	/nfs/dbraw/zinc/26/80/04/1131268004.db2.gz	BPKVUZYIXAAMAF-FBCYGCLPSA-N	-1	0	292.285	3.622	20	30		CHEDRM
Cc1ccc(-c2ccc(C(=O)[O-])cc2F)c(C)c1C#N	ZINC001239260744	1131307763	/nfs/dbraw/zinc/30/77/63/1131307763.db2.gz	BUGJOUFIVJZODJ-UHFFFAOYSA-N	-1	0	269.275	3.679	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1cc(C(F)(F)F)ccn1	ZINC000821179388	1131322943	/nfs/dbraw/zinc/32/29/43/1131322943.db2.gz	WXJIDKMSYIHEDQ-SNVBAGLBSA-N	-1	0	298.239	3.684	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000179770701	1125285300	/nfs/dbraw/zinc/28/53/00/1125285300.db2.gz	PTADSSWRWLBAJD-JTQLQIEISA-N	-1	0	290.388	3.591	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000213229457	1125358842	/nfs/dbraw/zinc/35/88/42/1125358842.db2.gz	KHCSVESFNSKKTE-WAYWQWQTSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000734305613	1129300988	/nfs/dbraw/zinc/30/09/88/1129300988.db2.gz	XRWOVVUROWMQSK-VURMDHGXSA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccc(F)c(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000734981888	1129327638	/nfs/dbraw/zinc/32/76/38/1129327638.db2.gz	XYPNBSXYGWJHMT-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
CC(C)[C@@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000739426990	1129404110	/nfs/dbraw/zinc/40/41/10/1129404110.db2.gz	PRDRVSYCNFAWGN-HXBVQPGFSA-N	-1	0	284.743	3.665	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000828212952	1131379105	/nfs/dbraw/zinc/37/91/05/1131379105.db2.gz	YSKNWCPCRZNABQ-JTQLQIEISA-N	-1	0	295.766	3.513	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])ccc1C#N	ZINC000766489760	1129669708	/nfs/dbraw/zinc/66/97/08/1129669708.db2.gz	GDKVZCFIDHMERP-HWKANZROSA-N	-1	0	299.276	3.747	20	30		CHEDRM
COc1ccc(Nc2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001212592253	1129741532	/nfs/dbraw/zinc/74/15/32/1129741532.db2.gz	GSUUIIPZXDDKHB-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
C#Cc1ccc(-c2ccc3oc(=S)[n-]c3c2)cc1	ZINC001242294635	1129764987	/nfs/dbraw/zinc/76/49/87/1129764987.db2.gz	KCQPZAZTPUCBHG-UHFFFAOYSA-N	-1	0	251.310	3.765	20	30		CHEDRM
COc1cc(C)ccc1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000766992269	1129771462	/nfs/dbraw/zinc/77/14/62/1129771462.db2.gz	APHXSNXURCMDOL-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
O=C(/C=C\c1cc(F)c(F)cc1F)c1ccccc1[O-]	ZINC000767729138	1129810146	/nfs/dbraw/zinc/81/01/46/1129810146.db2.gz	LQEDLXFUEUSOHT-WAYWQWQTSA-N	-1	0	278.229	3.706	20	30		CHEDRM
C[C@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000768352561	1129853952	/nfs/dbraw/zinc/85/39/52/1129853952.db2.gz	OQIAPVPFVXIKJI-RYUDHWBXSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CSC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1	ZINC000800805674	1129889683	/nfs/dbraw/zinc/88/96/83/1129889683.db2.gz	XUUHLOJURJGUMT-UHFFFAOYSA-N	-1	0	298.795	3.722	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1ccc([O-])cc1F	ZINC001206030086	1129972339	/nfs/dbraw/zinc/97/23/39/1129972339.db2.gz	OVWRNUQAPAXWTO-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
CC(=NNCC(C)C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000771568348	1129984988	/nfs/dbraw/zinc/98/49/88/1129984988.db2.gz	ZDOZNICLEZTHTJ-UHFFFAOYSA-N	-1	0	275.179	3.669	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2ccc(F)cc2F)c1	ZINC001239678614	1130049602	/nfs/dbraw/zinc/04/96/02/1130049602.db2.gz	HUCNXVXEHIHIOB-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1	ZINC000802892054	1130059952	/nfs/dbraw/zinc/05/99/52/1130059952.db2.gz	YVQTVLJFLIFXFH-QLFBSQMISA-N	-1	0	298.386	3.809	20	30		CHEDRM
CC(C)Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748411737	1130230746	/nfs/dbraw/zinc/23/07/46/1130230746.db2.gz	XWCYJIKJJWTZOP-UHFFFAOYSA-N	-1	0	294.354	3.715	20	30		CHEDRM
Cc1cccc(C)c1/C=C1/Cc2cc(O)ccc2C1=O	ZINC000780186562	1130233778	/nfs/dbraw/zinc/23/37/78/1130233778.db2.gz	KYVMRRWXJGSKSP-UVTDQMKNSA-N	-1	0	264.324	3.831	20	30		CHEDRM
CC1=C[C@@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000789638568	1130267525	/nfs/dbraw/zinc/26/75/25/1130267525.db2.gz	FIBVECSGSYRQRR-DGCLKSJQSA-N	-1	0	272.348	3.775	20	30		CHEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(C)c2)c(C)c1C#N	ZINC001243215826	1130321794	/nfs/dbraw/zinc/32/17/94/1130321794.db2.gz	YJGKNDPRTXORLY-UHFFFAOYSA-N	-1	0	265.312	3.849	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3cc(F)c(F)c(C(=O)[O-])c3)ccc12	ZINC001206038758	1130328436	/nfs/dbraw/zinc/32/84/36/1130328436.db2.gz	PPCTUFVQCBUVFL-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(C3CCC3)cc2)c1	ZINC000790821046	1130333956	/nfs/dbraw/zinc/33/39/56/1130333956.db2.gz	FLNMHBFAQAEVGW-UHFFFAOYSA-N	-1	0	292.338	3.784	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3cccc(/C=C/C(=O)[O-])c3)ccc12	ZINC001240549737	1130352887	/nfs/dbraw/zinc/35/28/87/1130352887.db2.gz	CHYBDNZMAAZSQV-QPJJXVBHSA-N	-1	0	288.306	3.804	20	30		CHEDRM
C#C[C@@H](CC)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000792570979	1130460359	/nfs/dbraw/zinc/46/03/59/1130460359.db2.gz	VPBCYDJQNJDBGI-XVBMGZJVSA-N	-1	0	256.132	3.530	20	30		CHEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])s2)nc2ccccc12	ZINC001240843557	1130490170	/nfs/dbraw/zinc/49/01/70/1130490170.db2.gz	IGUDKUDLUUUZGD-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
O=C([O-])c1ccc(-c2cccc(CS)c2)s1	ZINC001240848452	1130492917	/nfs/dbraw/zinc/49/29/17/1130492917.db2.gz	AOJWBAXMFZNOLY-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc(C#N)c2ccsc21	ZINC001241001323	1130559708	/nfs/dbraw/zinc/55/97/08/1130559708.db2.gz	UWGFCSABXSWHSU-UHFFFAOYSA-N	-1	0	294.335	3.842	20	30		CHEDRM
C=C(C)CNN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000811650471	1130628964	/nfs/dbraw/zinc/62/89/64/1130628964.db2.gz	AYJSGKCUYZNKRR-UHFFFAOYSA-N	-1	0	273.163	3.589	20	30		CHEDRM
O=C(/C=C/c1nc(Cl)cs1)c1ccc(F)cc1[O-]	ZINC000759083066	1130634765	/nfs/dbraw/zinc/63/47/65/1130634765.db2.gz	HCEFFYMFROATKC-ONEGZZNKSA-N	-1	0	283.711	3.537	20	30		CHEDRM
CC(Cc1cccc(F)c1)N=Nc1cccc(C(=O)[O-])c1	ZINC000759179420	1130640866	/nfs/dbraw/zinc/64/08/66/1130640866.db2.gz	NLPUJPRMLPTSFZ-UHFFFAOYSA-N	-1	0	286.306	3.554	20	30		CHEDRM
C=C[C@@H](CC)Oc1ccc2[n-]c(=S)sc2c1	ZINC001234425889	1130643489	/nfs/dbraw/zinc/64/34/89/1130643489.db2.gz	XLQZRGTXNITHDM-QMMMGPOBSA-N	-1	0	251.376	3.928	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1cccc(F)c1F	ZINC001234820281	1130678606	/nfs/dbraw/zinc/67/86/06/1130678606.db2.gz	UNZWFMAOUQQBND-SNVBAGLBSA-N	-1	0	277.270	3.913	20	30		CHEDRM
[O-]N=Cc1ccccc1O[C@@H]1CCc2c1nccc2Cl	ZINC001234821542	1130678713	/nfs/dbraw/zinc/67/87/13/1130678713.db2.gz	GSVQPVSDYMJHIU-CQSZACIVSA-N	-1	0	288.734	3.609	20	30		CHEDRM
COc1ccc(CC#N)cc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235457360	1130745241	/nfs/dbraw/zinc/74/52/41/1130745241.db2.gz	ATKNTBXBORQKEE-WEVVVXLNSA-N	-1	0	293.322	3.526	20	30		CHEDRM
O=C([O-])/C=C/c1ccc(-c2cccc(CS)c2)cc1	ZINC001235621479	1130759421	/nfs/dbraw/zinc/75/94/21/1130759421.db2.gz	BEUCUXOOOADHNZ-RMKNXTFCSA-N	-1	0	270.353	3.881	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccccc2Cl)c1	ZINC000782199415	1130762346	/nfs/dbraw/zinc/76/23/46/1130762346.db2.gz	FCPWMLQOIWFBGH-AATRIKPKSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C=C(C)c1ccc(-c2c(F)cc(F)c([O-])c2F)nc1	ZINC001235992695	1130826002	/nfs/dbraw/zinc/82/60/02/1130826002.db2.gz	KARUGCGLYYNDIB-UHFFFAOYSA-N	-1	0	265.234	3.905	20	30		CHEDRM
N#CCCOc1ccc(-c2c(F)cc(F)c([O-])c2F)cc1	ZINC001236002696	1130829778	/nfs/dbraw/zinc/82/97/78/1130829778.db2.gz	SIRDZHSVKGWXFK-UHFFFAOYSA-N	-1	0	293.244	3.769	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CC[C@H]1CCOC1	ZINC000783684435	1130847346	/nfs/dbraw/zinc/84/73/46/1130847346.db2.gz	GGHNQUNGFHFKMX-UVSFYCKTSA-N	-1	0	288.174	3.545	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2)c(Cl)c1	ZINC000783697456	1130848107	/nfs/dbraw/zinc/84/81/07/1130848107.db2.gz	QSPRMXYRMFALCM-HJWRWDBZSA-N	-1	0	286.714	3.934	20	30		CHEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1	ZINC000783769667	1130853585	/nfs/dbraw/zinc/85/35/85/1130853585.db2.gz	HWQOJSKJQBNXEW-CYBMUJFWSA-N	-1	0	282.343	3.661	20	30		CHEDRM
CC(Cc1ccc(F)cc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680944	1130893913	/nfs/dbraw/zinc/89/39/13/1130893913.db2.gz	PPAQSCQHJXUJGQ-UHFFFAOYSA-N	-1	0	286.306	3.554	20	30		CHEDRM
Cc1ccc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)cc1	ZINC000814685040	1130895336	/nfs/dbraw/zinc/89/53/36/1130895336.db2.gz	BGVFDZYRJTZPMG-UHFFFAOYSA-N	-1	0	294.354	3.579	20	30		CHEDRM
CC(=NNc1ccccc1Cl)c1csc(C(=O)[O-])c1	ZINC000814690895	1130901225	/nfs/dbraw/zinc/90/12/25/1130901225.db2.gz	DAJPQHJDFAMYHR-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
CC(=NNc1cccc(Cl)c1)c1csc(C(=O)[O-])c1	ZINC000814693379	1130901927	/nfs/dbraw/zinc/90/19/27/1130901927.db2.gz	MGYRNSFIZCETEK-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
CCc1ccccc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814802266	1130912943	/nfs/dbraw/zinc/91/29/43/1130912943.db2.gz	ZCIGCTIAHMHWDS-DGCLKSJQSA-N	-1	0	274.364	3.538	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NNCc1cccc(F)c1	ZINC000814805326	1130918505	/nfs/dbraw/zinc/91/85/05/1130918505.db2.gz	VRAVKJAGDRDDMP-UHFFFAOYSA-N	-1	0	294.370	3.716	20	30		CHEDRM
COc1cc(F)cc(NN=Cc2cccc(O)c2Cl)c1	ZINC000814870665	1130926604	/nfs/dbraw/zinc/92/66/04/1130926604.db2.gz	NHPSXVQIPGUZKJ-UHFFFAOYSA-N	-1	0	294.713	3.639	20	30		CHEDRM
Cc1ccc(F)c(-c2cc(C(F)(F)F)c(C#N)cn2)c1[O-]	ZINC001236392391	1130926959	/nfs/dbraw/zinc/92/69/59/1130926959.db2.gz	OPSRWERVJHRRRD-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
CC(=NNCc1cccc(C)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814873348	1130927697	/nfs/dbraw/zinc/92/76/97/1130927697.db2.gz	XLVQNWYMFAZENY-AWEZNQCLSA-N	-1	0	290.407	3.742	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NOC/C=C\Cl	ZINC000814934386	1130938880	/nfs/dbraw/zinc/93/88/80/1130938880.db2.gz	SYZRVBWBCKECKX-DMUUDBIVSA-N	-1	0	261.749	3.557	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H](C)C(C)(C)C	ZINC000814938457	1130940755	/nfs/dbraw/zinc/94/07/55/1130940755.db2.gz	LRLUWKPWXYSUKO-CYBMUJFWSA-N	-1	0	270.417	3.812	20	30		CHEDRM
COc1ccc(C#N)cc1-c1cc(F)ccc1[S-]	ZINC001236547038	1130971841	/nfs/dbraw/zinc/97/18/41/1130971841.db2.gz	SOPHKCJZYNHUGX-UHFFFAOYSA-N	-1	0	259.305	3.662	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2C[C@H](c3ccccc3)C2)c1	ZINC000797785131	1131002252	/nfs/dbraw/zinc/00/22/52/1131002252.db2.gz	UTPWEZVLFMTYIL-LALNJWKFSA-N	-1	0	296.326	3.666	20	30		CHEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])C(F)=C1CCCC1	ZINC000815897961	1131031805	/nfs/dbraw/zinc/03/18/05/1131031805.db2.gz	NMUKAWADWJHXLY-GFCCVEGCSA-N	-1	0	297.333	3.547	20	30		CHEDRM
C#C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000798343499	1131032822	/nfs/dbraw/zinc/03/28/22/1131032822.db2.gz	IBGPBJZPYCUIGV-YNUIFBACSA-N	-1	0	270.159	3.776	20	30		CHEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=C3CCCC3)nc21	ZINC000815954919	1131038918	/nfs/dbraw/zinc/03/89/18/1131038918.db2.gz	NVRQFXGBCQWTRF-LBPRGKRZSA-N	-1	0	297.333	3.845	20	30		CHEDRM
O=C(/C=C/c1ccc2c(c1)CCC2)c1ccc([O-])c(F)c1	ZINC001116139321	1131131159	/nfs/dbraw/zinc/13/11/59/1131131159.db2.gz	HWZIFYRFPXKEQY-VMPITWQZSA-N	-1	0	282.314	3.916	20	30		CHEDRM
CC(C)c1nc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)co1	ZINC000752890962	1131137399	/nfs/dbraw/zinc/13/73/99/1131137399.db2.gz	SHMYHUYFMXLPIC-ARJAWSKDSA-N	-1	0	293.269	3.678	20	30		CHEDRM
CC(C)[C@@H](C#N)Oc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000844203392	1131538326	/nfs/dbraw/zinc/53/83/26/1131538326.db2.gz	AJLQXNDPTLLRMN-QGZVFWFLSA-N	-1	0	295.338	3.979	20	30		CHEDRM
CC[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623828	1131586690	/nfs/dbraw/zinc/58/66/90/1131586690.db2.gz	MUVYYIFOUTXYHJ-NSHDSACASA-N	-1	0	260.337	3.671	20	30		CHEDRM
Cc1c(N=NCC2CCCCC2)cccc1C(=O)[O-]	ZINC000844626984	1131586960	/nfs/dbraw/zinc/58/69/60/1131586960.db2.gz	GJWAZHGGJBLYSO-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
CC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009854	1131753926	/nfs/dbraw/zinc/75/39/26/1131753926.db2.gz	FSFOXPSEAXSGBP-VIFPVBQESA-N	-1	0	264.300	3.502	20	30		CHEDRM
N#Cc1ncc(Nc2ccc(Cl)cc2[S-])cc1F	ZINC001203061498	1131892891	/nfs/dbraw/zinc/89/28/91/1131892891.db2.gz	VCWVLVIMSBMRAW-UHFFFAOYSA-N	-1	0	279.727	3.778	20	30		CHEDRM
CC(N=Nc1c(F)cccc1Cl)c1ccc(C(=O)[O-])o1	ZINC000773072506	1131936839	/nfs/dbraw/zinc/93/68/39/1131936839.db2.gz	GRETYLUMTRNBCW-UHFFFAOYSA-N	-1	0	296.685	3.606	20	30		CHEDRM
CC[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(F)c1C	ZINC001228903036	1131975128	/nfs/dbraw/zinc/97/51/28/1131975128.db2.gz	UWXBKCDIROBJDO-AWEZNQCLSA-N	-1	0	286.306	3.637	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@H](C)c1ccncc1F	ZINC001229738962	1132112632	/nfs/dbraw/zinc/11/26/32/1132112632.db2.gz	QMRBQTVULZHGOS-VDCVXVNISA-N	-1	0	274.295	3.559	20	30		CHEDRM
C[C@@H](Oc1ccc(C2(C#N)CC2)cc1)C1=CC=C[CH]1	ZINC001229945395	1132134629	/nfs/dbraw/zinc/13/46/29/1132134629.db2.gz	WPUQDMMOKFFIAY-CYBMUJFWSA-N	-1	0	250.321	3.710	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc[n-]c(=O)c2Cl)C1	ZINC001230013691	1132144743	/nfs/dbraw/zinc/14/47/43/1132144743.db2.gz	HZVCHRNBDYGUAZ-QWRGUYRKSA-N	-1	0	280.755	3.515	20	30		CHEDRM
CC#CC[C@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050291	1132247604	/nfs/dbraw/zinc/24/76/04/1132247604.db2.gz	RPXUANQCQNZBEE-QMMMGPOBSA-N	-1	0	298.173	3.836	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)c([O-])c1	ZINC000840716338	1132275848	/nfs/dbraw/zinc/27/58/48/1132275848.db2.gz	KOMFDEBPYWUSLZ-SOFGYWHQSA-N	-1	0	296.370	3.684	20	30		CHEDRM
C=CC[C@H](CCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231263373	1132276944	/nfs/dbraw/zinc/27/69/44/1132276944.db2.gz	JLJNLKHZFRZXOB-LLVKDONJSA-N	-1	0	280.324	3.518	20	30		CHEDRM
N#CC(=C([O-])C=C1CCCC1)c1nc(C2CC2)cs1	ZINC000842943242	1132480815	/nfs/dbraw/zinc/48/08/15/1132480815.db2.gz	UCGSLVOGTOJJNV-LBPRGKRZSA-N	-1	0	272.373	3.697	20	30		CHEDRM
N#CC(=C([O-])C1=CCCCC1)c1nc(C2CC2)cs1	ZINC000842944061	1132481594	/nfs/dbraw/zinc/48/15/94/1132481594.db2.gz	ICEBBBJMIHGDPZ-LBPRGKRZSA-N	-1	0	272.373	3.697	20	30		CHEDRM
CC1(C#N)CCN(Cc2ccc(Cl)c([O-])c2Cl)CC1	ZINC001232627528	1132498829	/nfs/dbraw/zinc/49/88/29/1132498829.db2.gz	IZHFOBRHXAJJJG-UHFFFAOYSA-N	-1	0	299.201	3.825	20	30		CHEDRM
N#C[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)CC1	ZINC001232632036	1132499302	/nfs/dbraw/zinc/49/93/02/1132499302.db2.gz	UPNLSGGWNJETAB-SNVBAGLBSA-N	-1	0	299.201	3.825	20	30		CHEDRM
Cc1cc(C)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001173829463	1132585712	/nfs/dbraw/zinc/58/57/12/1132585712.db2.gz	SDPDDCMHSSXCLY-UHFFFAOYSA-N	-1	0	256.280	3.763	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001174020936	1132694656	/nfs/dbraw/zinc/69/46/56/1132694656.db2.gz	JVCWOXHIQCYZGO-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
CCC[C@H](C)[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C(C)C	ZINC001233919292	1132698806	/nfs/dbraw/zinc/69/88/06/1132698806.db2.gz	DWDZOVQEILFXAD-NHYWBVRUSA-N	-1	0	276.380	3.807	20	30		CHEDRM
N#Cc1cc(Nc2cncc3ccccc32)c([O-])cc1F	ZINC001174102350	1132719795	/nfs/dbraw/zinc/71/97/95/1132719795.db2.gz	JWUXLICDAUFNIC-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
Cc1nc2cc(Nc3scc([O-])c3C#N)ccc2s1	ZINC001213036258	1133032347	/nfs/dbraw/zinc/03/23/47/1133032347.db2.gz	GOBJVELNRDXSEI-UHFFFAOYSA-N	-1	0	287.369	3.987	20	30		CHEDRM
Cc1csc(Nc2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001203284047	1133309757	/nfs/dbraw/zinc/30/97/57/1133309757.db2.gz	SLJMYUZTEMHOAU-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2F)cc1F	ZINC001203299641	1133312361	/nfs/dbraw/zinc/31/23/61/1133312361.db2.gz	RYDZNOLLFAFUNZ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C=C(C)c1cncc(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205095474	1133528894	/nfs/dbraw/zinc/52/88/94/1133528894.db2.gz	IOUOLRORVHFTJS-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
N#Cc1ccc2cc(-c3ccsc3C(=O)[O-])ccc2n1	ZINC001205605650	1133593588	/nfs/dbraw/zinc/59/35/88/1133593588.db2.gz	NTSORCJVIABFOZ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
Cc1c(C#N)c(-c2ccc([O-])cc2F)nc2ccccc12	ZINC001206038083	1133646126	/nfs/dbraw/zinc/64/61/26/1133646126.db2.gz	RMRGSKNGYOSCHT-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
O=C([O-])c1cc(-c2ccc(CS)cc2)cc(F)c1F	ZINC001206051705	1133649431	/nfs/dbraw/zinc/64/94/31/1133649431.db2.gz	RNGGCBUZPXAJJI-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
N#Cc1c([O-])csc1NC1=CCN(c2ccccc2)CC1	ZINC001209010099	1133969996	/nfs/dbraw/zinc/96/99/96/1133969996.db2.gz	WSAZJMBYKIHONA-UHFFFAOYSA-N	-1	0	297.383	3.531	20	30		CHEDRM
C=Cc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001209921771	1134101840	/nfs/dbraw/zinc/10/18/40/1134101840.db2.gz	CBHXRSYPRAEGFF-UHFFFAOYSA-N	-1	0	254.264	3.790	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(C(=O)[O-])cc(F)c2C)s1	ZINC001210005291	1134120716	/nfs/dbraw/zinc/12/07/16/1134120716.db2.gz	DMEIDLBHAGDQAO-UHFFFAOYSA-N	-1	0	290.319	3.818	20	30		CHEDRM
N#Cc1ncccc1Nc1cc(Cl)cc(Cl)c1[O-]	ZINC001210147654	1134156091	/nfs/dbraw/zinc/15/60/91/1134156091.db2.gz	VSTVPSVDMWWPAS-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(Cl)c2[O-])cc1C#N	ZINC001210222934	1134171874	/nfs/dbraw/zinc/17/18/74/1134171874.db2.gz	DRLXRTNHRCYFBD-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc([C@@H](C)C#N)cc1	ZINC001210258961	1134180124	/nfs/dbraw/zinc/18/01/24/1134180124.db2.gz	WONSLAGCQHPAGD-NSHDSACASA-N	-1	0	296.326	3.764	20	30		CHEDRM
N#Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC001210401786	1134209335	/nfs/dbraw/zinc/20/93/35/1134209335.db2.gz	ZYGQASRLXXESHR-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
N#Cc1c(F)ccc(F)c1Nc1cccc([O-])c1Cl	ZINC001210860006	1134315477	/nfs/dbraw/zinc/31/54/77/1134315477.db2.gz	PNIZBSHYAAMVSZ-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cc(Nc2cccc(C3(C#N)CC3)c2)c([O-])cc1F	ZINC001213326813	1134441789	/nfs/dbraw/zinc/44/17/89/1134441789.db2.gz	JUWOGGJFMGNMRJ-UHFFFAOYSA-N	-1	0	293.301	3.702	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(CCC(=O)[O-])cc2)c1C#N	ZINC001213635726	1134472205	/nfs/dbraw/zinc/47/22/05/1134472205.db2.gz	WSZMVOHGXOFQQX-UHFFFAOYSA-N	-1	0	294.354	3.936	20	30		CHEDRM
Cc1cc2cc(Nc3scc([O-])c3C#N)ccc2[nH]1	ZINC001213787123	1134483519	/nfs/dbraw/zinc/48/35/19/1134483519.db2.gz	ONPSLARRNMIMLI-UHFFFAOYSA-N	-1	0	269.329	3.859	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1C	ZINC001214273847	1134526738	/nfs/dbraw/zinc/52/67/38/1134526738.db2.gz	UJTCATNFNPEDGL-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
N#Cc1ccsc1Nc1ccc(Cl)c([O-])c1F	ZINC001214791539	1134574099	/nfs/dbraw/zinc/57/40/99/1134574099.db2.gz	WQCUMYLANDNFOM-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(F)c(C(=O)[O-])c2F)s1	ZINC001215268411	1134613122	/nfs/dbraw/zinc/61/31/22/1134613122.db2.gz	XIJPIKZKRGVRFM-UHFFFAOYSA-N	-1	0	294.282	3.648	20	30		CHEDRM
Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)c(C#N)c1	ZINC001215274293	1134613929	/nfs/dbraw/zinc/61/39/29/1134613929.db2.gz	QQHQDERPVISGAI-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccsc1C(=O)[O-]	ZINC001215393964	1134622556	/nfs/dbraw/zinc/62/25/56/1134622556.db2.gz	CUBBSQLHPVBDGM-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
N#Cc1cc(F)c(Nc2ccsc2C(=O)[O-])c(Cl)c1	ZINC001215394978	1134623399	/nfs/dbraw/zinc/62/33/99/1134623399.db2.gz	CVGIURRXPZZESC-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
COCc1ccc(Cl)c(Nc2scc([O-])c2C#N)c1	ZINC001215595718	1134650083	/nfs/dbraw/zinc/65/00/83/1134650083.db2.gz	OWAXIDRXPBHUNI-UHFFFAOYSA-N	-1	0	294.763	3.869	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)cc1	ZINC001215699129	1134661688	/nfs/dbraw/zinc/66/16/88/1134661688.db2.gz	JFLJEVNMEWGBDN-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
Cc1cc(F)cc(C)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001215963904	1134734047	/nfs/dbraw/zinc/73/40/47/1134734047.db2.gz	FNOJUJPLIQGDSJ-UHFFFAOYSA-N	-1	0	274.270	3.903	20	30		CHEDRM
CC(C)c1cc(Nc2scc([O-])c2C#N)ccc1N	ZINC001216043232	1134759420	/nfs/dbraw/zinc/75/94/20/1134759420.db2.gz	BDRZAIDUFWKLGB-UHFFFAOYSA-N	-1	0	273.361	3.775	20	30		CHEDRM
C#Cc1cccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1	ZINC001216311433	1134845301	/nfs/dbraw/zinc/84/53/01/1134845301.db2.gz	JSTVEZLCYUAKSQ-UHFFFAOYSA-N	-1	0	265.312	3.727	20	30		CHEDRM
Cc1c(Nc2ccc(Cl)c(C#N)c2)cccc1C(=O)[O-]	ZINC001216661534	1134941236	/nfs/dbraw/zinc/94/12/36/1134941236.db2.gz	KAXIGHZSMPXKQL-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2C)c1	ZINC001216662480	1134942322	/nfs/dbraw/zinc/94/23/22/1134942322.db2.gz	JLWRSPGFYIMYEI-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
N#CCCc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001222403410	1135236688	/nfs/dbraw/zinc/23/66/88/1135236688.db2.gz	QHASDSNOXNXZOJ-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
N#Cc1cc2cc(-c3c(F)cc(C(=O)[O-])cc3F)ccc2[nH]1	ZINC001222408203	1135237847	/nfs/dbraw/zinc/23/78/47/1135237847.db2.gz	UEWWSTISFKQVJV-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
Cc1cc(F)cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001222684951	1135263785	/nfs/dbraw/zinc/26/37/85/1135263785.db2.gz	AUFXZDXGEAKTAX-UHFFFAOYSA-N	-1	0	295.313	3.789	20	30		CHEDRM
C[C@@H](OC(F)(F)c1ccccc1/C(Cl)=N/[O-])C1CC1	ZINC001222939572	1135286665	/nfs/dbraw/zinc/28/66/65/1135286665.db2.gz	FLAIHNBCONNJDX-DESYNOOGSA-N	-1	0	289.709	3.926	20	30		CHEDRM
C[C@H](Cc1ccco1)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223593435	1135363210	/nfs/dbraw/zinc/36/32/10/1135363210.db2.gz	JRIBXUMTFQXTMD-UKNJIDDLSA-N	-1	0	279.723	3.717	20	30		CHEDRM
N#C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccccc1	ZINC001223596218	1135363537	/nfs/dbraw/zinc/36/35/37/1135363537.db2.gz	KGGVNCBQOPBELA-JZYMCLRRSA-N	-1	0	286.718	3.757	20	30		CHEDRM
C[C@H](C#C[Si](C)(C)C)Oc1ccc([S-])cc1	ZINC001225555381	1135587057	/nfs/dbraw/zinc/58/70/57/1135587057.db2.gz	MMTRAJFUCLCLHE-LLVKDONJSA-N	-1	0	250.439	3.623	20	30		CHEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1ccccc1[S-]	ZINC001225588653	1135591267	/nfs/dbraw/zinc/59/12/67/1135591267.db2.gz	VLQGEJQMRJNZRU-NSHDSACASA-N	-1	0	250.439	3.623	20	30		CHEDRM
N#C[C@H](Oc1ccccc1[S-])c1cccc(F)c1	ZINC001225588569	1135591570	/nfs/dbraw/zinc/59/15/70/1135591570.db2.gz	TVONGNOBBNABED-ZDUSSCGKSA-N	-1	0	259.305	3.758	20	30		CHEDRM
CC#CC[C@@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885317	1135634112	/nfs/dbraw/zinc/63/41/12/1135634112.db2.gz	LEHSGVJLLHUFCH-SSDOTTSWSA-N	-1	0	276.229	3.519	20	30		CHEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(Cl)c1	ZINC001226007815	1135651973	/nfs/dbraw/zinc/65/19/73/1135651973.db2.gz	AOLHWYQCZOPRPP-MRVPVSSYSA-N	-1	0	292.697	3.591	20	30		CHEDRM
CCCC[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226065361	1135659284	/nfs/dbraw/zinc/65/92/84/1135659284.db2.gz	TWRNNIDNSZSEHK-MRVPVSSYSA-N	-1	0	288.269	3.635	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccc(Cl)c2)c1C#N	ZINC001226223771	1135673982	/nfs/dbraw/zinc/67/39/82/1135673982.db2.gz	UEKKZCLUYNVCMN-JTQLQIEISA-N	-1	0	288.734	3.761	20	30		CHEDRM
N#Cc1cc(-c2ccccc2C(=O)[O-])ccc1Cl	ZINC000065339789	175710010	/nfs/dbraw/zinc/71/00/10/175710010.db2.gz	UZYVRALTPBKUME-UHFFFAOYSA-N	-1	0	257.676	3.577	20	30		CHEDRM
CC(C)n1cccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000179611546	260058267	/nfs/dbraw/zinc/05/82/67/260058267.db2.gz	XHXJVUGZWUWOKG-GFCCVEGCSA-N	-1	0	293.326	3.700	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000281054474	263066222	/nfs/dbraw/zinc/06/62/22/263066222.db2.gz	SULKJEYRHZJOEK-QPJJXVBHSA-N	-1	0	288.322	3.513	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)cc1O	ZINC000189033363	329374931	/nfs/dbraw/zinc/37/49/31/329374931.db2.gz	CZWGTTOKGJYWKO-CYBMUJFWSA-N	-1	0	253.729	3.586	20	30		CHEDRM
C=CCC[C@@H](CC)Nc1cccc(CCC(=O)[O-])c1	ZINC000263527749	330058938	/nfs/dbraw/zinc/05/89/38/330058938.db2.gz	UUNYCZMPMMMALZ-CQSZACIVSA-N	-1	0	261.365	3.861	20	30		CHEDRM
C=CCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000220320315	333165245	/nfs/dbraw/zinc/16/52/45/333165245.db2.gz	FWKSVBSGSBWLGS-UHFFFAOYSA-N	-1	0	260.120	3.604	20	30		CHEDRM
C=CCN(Cc1ccc(Cl)s1)[C@H](CCC)C(=O)[O-]	ZINC000521887091	333195835	/nfs/dbraw/zinc/19/58/35/333195835.db2.gz	ZBKBRDXMVZTAED-LLVKDONJSA-N	-1	0	287.812	3.643	20	30		CHEDRM
Cc1cc(-c2ccccc2C(=O)[O-])cc(C)c1C#N	ZINC000566292689	334641265	/nfs/dbraw/zinc/64/12/65/334641265.db2.gz	WOWBTLPBYMCJOT-UHFFFAOYSA-N	-1	0	251.285	3.540	20	30		CHEDRM
O=C([O-])C1CCC(/N=C/c2c(O)ccc3ccccc32)CC1	ZINC000739559891	600033444	/nfs/dbraw/zinc/03/34/44/600033444.db2.gz	INFTXASDPQFSMQ-YBFXNURJSA-N	-1	0	297.354	3.608	20	30		CHEDRM
CCc1oc(C(=O)[O-])cc1CSc1ccccc1C#N	ZINC000830394554	601408235	/nfs/dbraw/zinc/40/82/35/601408235.db2.gz	GOPBWDROSKONLQ-UHFFFAOYSA-N	-1	0	287.340	3.704	20	30		CHEDRM
Cc1sc(C(=O)[O-])cc1CON=Cc1ccccc1C	ZINC000832977688	601629133	/nfs/dbraw/zinc/62/91/33/601629133.db2.gz	PGALOUMDIHKSOR-UHFFFAOYSA-N	-1	0	289.356	3.614	20	30		CHEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc3ccccc3c2)c[nH]1	ZINC000833092265	601791597	/nfs/dbraw/zinc/79/15/97/601791597.db2.gz	ABYDALVKUWDDKY-YVMONPNESA-N	-1	0	291.306	3.762	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829566688	601791785	/nfs/dbraw/zinc/79/17/85/601791785.db2.gz	SMSQVMNQOQTLON-TWGQIWQCSA-N	-1	0	283.327	3.562	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000825660104	602289676	/nfs/dbraw/zinc/28/96/76/602289676.db2.gz	SVMZXZYFVHOBJI-UHFFFAOYSA-N	-1	0	293.750	3.745	20	30		CHEDRM
COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1C	ZINC000832280347	604627169	/nfs/dbraw/zinc/62/71/69/604627169.db2.gz	BJNUBNKNWLIQJB-OQFOIZHKSA-N	-1	0	296.322	3.598	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1	ZINC000833310065	604627958	/nfs/dbraw/zinc/62/79/58/604627958.db2.gz	MDVAEAJACYAOBT-KRXBUXKQSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(N=Nc1ccc(F)cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814693377	604633116	/nfs/dbraw/zinc/63/31/16/604633116.db2.gz	MBXIXEAABYFWAP-NSHDSACASA-N	-1	0	280.343	3.895	20	30		CHEDRM
CC(N=Nc1ccc(C#N)cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814803165	604638095	/nfs/dbraw/zinc/63/80/95/604638095.db2.gz	MIUDQXKOYWDLDE-GFCCVEGCSA-N	-1	0	287.363	3.627	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H](C)C1CCCCC1	ZINC000763367766	604666025	/nfs/dbraw/zinc/66/60/25/604666025.db2.gz	HBSRQQIDXKHJHJ-LLVKDONJSA-N	-1	0	289.379	3.784	20	30		CHEDRM
CC(C)C(N=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000763371500	604668484	/nfs/dbraw/zinc/66/84/84/604668484.db2.gz	CLEFBCHZMLERCF-UHFFFAOYSA-N	-1	0	289.379	3.784	20	30		CHEDRM
C#CCCCCC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC000833362625	605010320	/nfs/dbraw/zinc/01/03/20/605010320.db2.gz	BDRHAFGVPSWILS-UHFFFAOYSA-N	-1	0	287.359	3.640	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1C[C@H]1c1ccccc1	ZINC000755601472	605095129	/nfs/dbraw/zinc/09/51/29/605095129.db2.gz	OMDBJJGUQPOWPG-ZFWWWQNUSA-N	-1	0	280.327	3.586	20	30		CHEDRM
C[C@H](CN=Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000812441935	605098764	/nfs/dbraw/zinc/09/87/64/605098764.db2.gz	JKHUKVNUCWCBSJ-GFCCVEGCSA-N	-1	0	268.316	3.586	20	30		CHEDRM
CC(C)(C)C[C@H](Sc1ccccc1C#N)C(=O)[O-]	ZINC000833428878	605154200	/nfs/dbraw/zinc/15/42/00/605154200.db2.gz	BBJBSUUHQDEYDF-LBPRGKRZSA-N	-1	0	263.362	3.540	20	30		CHEDRM
C[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833607910	605156724	/nfs/dbraw/zinc/15/67/24/605156724.db2.gz	JSZGMURHZBWUTR-MRVPVSSYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1	ZINC000833386454	605158605	/nfs/dbraw/zinc/15/86/05/605158605.db2.gz	GNDQTVFGUNYMRV-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
CCc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C	ZINC000833671816	605290357	/nfs/dbraw/zinc/29/03/57/605290357.db2.gz	PXKUHSNOLCYWFB-QGZVFWFLSA-N	-1	0	294.354	3.667	20	30		CHEDRM
CC(C)Oc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000833507468	605594759	/nfs/dbraw/zinc/59/47/59/605594759.db2.gz	OFRUPJGKWANSRQ-UHFFFAOYSA-N	-1	0	298.342	3.618	20	30		CHEDRM
C#CCCCCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000833361848	605598472	/nfs/dbraw/zinc/59/84/72/605598472.db2.gz	OTKCSIKMCIGBDG-UHFFFAOYSA-N	-1	0	293.750	3.560	20	30		CHEDRM
C[C@H](NC(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000833819178	605962277	/nfs/dbraw/zinc/96/22/77/605962277.db2.gz	NBFSIXAAWBDCBR-NSHDSACASA-N	-1	0	266.300	3.554	20	30		CHEDRM
C=C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1	ZINC001602713299	971363671	/nfs/dbraw/zinc/36/36/71/971363671.db2.gz	YFGCVDUMCSZABC-OAHLLOKOSA-N	-1	0	295.338	3.602	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1C	ZINC000006340744	956876832	/nfs/dbraw/zinc/87/68/32/956876832.db2.gz	OJNJRCOBJIJNQV-UXBLZVDNSA-N	-1	0	280.323	3.898	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588451054	958404267	/nfs/dbraw/zinc/40/42/67/958404267.db2.gz	LANVSPXCWHWKEB-AWEZNQCLSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=CCCCCCCCNC(=O)c1cccc(C(=O)[O-])c1	ZINC001588458435	958461918	/nfs/dbraw/zinc/46/19/18/958461918.db2.gz	ONYRHZPURQSIJC-UHFFFAOYSA-N	-1	0	289.375	3.641	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001588460451	958476347	/nfs/dbraw/zinc/47/63/47/958476347.db2.gz	IFIMGVUUJPBNRO-SFHVURJKSA-N	-1	0	299.370	3.555	20	30		CHEDRM
C=CCN(Cc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001588464263	958489894	/nfs/dbraw/zinc/48/98/94/958489894.db2.gz	LJGUGROMFULJEY-UHFFFAOYSA-N	-1	0	267.328	3.577	20	30		CHEDRM
CCCCCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000134975533	958869866	/nfs/dbraw/zinc/86/98/66/958869866.db2.gz	DJEJAFAMAIOSRF-AWEZNQCLSA-N	-1	0	297.439	3.696	20	30		CHEDRM
Cc1cc(C#N)ccc1CSc1ccc(C(=O)[O-])cc1	ZINC000165110060	959271376	/nfs/dbraw/zinc/27/13/76/959271376.db2.gz	VKZFQSBTRBYLER-UHFFFAOYSA-N	-1	0	283.352	3.857	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)C2CCCCC2)cc1	ZINC000213482369	959722991	/nfs/dbraw/zinc/72/29/91/959722991.db2.gz	HLWTWNSKZTZTSQ-FLIBITNWSA-N	-1	0	258.317	3.547	20	30		CHEDRM
C=C(C)C[C@@H](Nc1cc(C(C)C)nc(C(C)C)n1)C(=O)[O-]	ZINC001573324611	962787641	/nfs/dbraw/zinc/78/76/41/962787641.db2.gz	VUGFCCNKEWICQB-CYBMUJFWSA-N	-1	0	291.395	3.555	20	30		CHEDRM
C=CC[C@@H](C(=O)[O-])N1CCCc2cc(C(C)(C)C)ccc21	ZINC001573351129	962974900	/nfs/dbraw/zinc/97/49/00/962974900.db2.gz	PSBUTHWCSOEMDF-INIZCTEOSA-N	-1	0	287.403	3.766	20	30		CHEDRM
C=CC[C@@H](Sc1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC001573352751	962991524	/nfs/dbraw/zinc/99/15/24/962991524.db2.gz	JESWSDGFCKWGEE-CQSZACIVSA-N	-1	0	262.374	3.687	20	30		CHEDRM
C#CCCCCCCOc1cc(C(=O)[O-])ccc1C	ZINC001588442501	964057196	/nfs/dbraw/zinc/05/71/96/964057196.db2.gz	SRPZZEXNQNPCLU-UHFFFAOYSA-N	-1	0	260.333	3.656	20	30		CHEDRM
C=CCCC[C@H](C)OC(=O)c1c(F)cc([O-])cc1F	ZINC000765479315	1118153709	/nfs/dbraw/zinc/15/37/09/1118153709.db2.gz	LXIITZXQSAODOW-VIFPVBQESA-N	-1	0	270.275	3.572	20	30		CHEDRM
CC(CCC1CCCC1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763370234	978722130	/nfs/dbraw/zinc/72/21/30/978722130.db2.gz	ODYAPXLNBBLQLZ-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CC[C@H]2c2ccccc2)c1	ZINC000769761924	978742928	/nfs/dbraw/zinc/74/29/28/978742928.db2.gz	CCJHLUBRYDDWEL-HNNXBMFYSA-N	-1	0	280.327	3.730	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\CSc3ccccc3C2=O)c1	ZINC000774117686	978746092	/nfs/dbraw/zinc/74/60/92/978746092.db2.gz	YKILFEYJDMQTOJ-UKTHLTGXSA-N	-1	0	296.347	3.757	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/CCc3ccc(F)cc3C2=O)c1	ZINC000774133248	978746402	/nfs/dbraw/zinc/74/64/02/978746402.db2.gz	BUHDIMPDDKFBJL-JYRVWZFOSA-N	-1	0	296.297	3.736	20	30		CHEDRM
CO[C@H](c1ccccc1)C(C)N=Nc1cccc(C(=O)[O-])c1	ZINC000782112465	978791898	/nfs/dbraw/zinc/79/18/98/978791898.db2.gz	ZRFVVGAYWRSAHE-INIZCTEOSA-N	-1	0	298.342	3.560	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCC[C@H]1c1ccccn1	ZINC000794887183	978825799	/nfs/dbraw/zinc/82/57/99/978825799.db2.gz	HDSRHMSBLXZXLI-LBPRGKRZSA-N	-1	0	295.342	3.515	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000814693336	978873390	/nfs/dbraw/zinc/87/33/90/978873390.db2.gz	KERPKCPEDVNUIS-ZJUUUORDSA-N	-1	0	280.755	3.629	20	30		CHEDRM
Cc1cc(C)c(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c(C)c1	ZINC000814860331	978893862	/nfs/dbraw/zinc/89/38/62/978893862.db2.gz	PMCSDUQCFNOALY-KGLIPLIRSA-N	-1	0	288.391	3.901	20	30		CHEDRM
COc1ccc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])cc1	ZINC000814885256	978896050	/nfs/dbraw/zinc/89/60/50/978896050.db2.gz	TUWFCZRYHUEMLO-LBPRGKRZSA-N	-1	0	292.379	3.764	20	30		CHEDRM
CSc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000834998433	979243464	/nfs/dbraw/zinc/24/34/64/979243464.db2.gz	HDBHQVKADKYYNS-WDEREUQCSA-N	-1	0	292.404	3.697	20	30		CHEDRM
C=CCCC(CC)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009916	979244538	/nfs/dbraw/zinc/24/45/38/979244538.db2.gz	HVHAYXVBWNQWHF-UHFFFAOYSA-N	-1	0	264.300	3.668	20	30		CHEDRM
CC(CC1CCC1)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010321	979245217	/nfs/dbraw/zinc/24/52/17/979245217.db2.gz	XHQHGGWIOLBJQY-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CC(N=Nc1ccnc(Cl)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000853395086	979605649	/nfs/dbraw/zinc/60/56/49/979605649.db2.gz	KIQVGCGBLIVUSQ-SNVBAGLBSA-N	-1	0	297.786	3.804	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000899854873	980233423	/nfs/dbraw/zinc/23/34/23/980233423.db2.gz	OYKLGPHGOMALPU-UHFFFAOYSA-N	-1	0	275.348	3.549	20	30		CHEDRM
C=CC1(CC(=O)NCCCCCCC(=O)[O-])CCCCC1	ZINC000907582057	981195968	/nfs/dbraw/zinc/19/59/68/981195968.db2.gz	NYMRVAGXWDHTLB-UHFFFAOYSA-N	-1	0	295.423	3.664	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000908250530	981289494	/nfs/dbraw/zinc/28/94/94/981289494.db2.gz	TVEUVAZRKLTVTH-ZIAGYGMSSA-N	-1	0	287.359	3.549	20	30		CHEDRM
CCCC(CCC)Sc1ccc(C(=O)[O-])nc1C#N	ZINC001595586496	981533399	/nfs/dbraw/zinc/53/33/99/981533399.db2.gz	BNRPKGHZCRLJOG-UHFFFAOYSA-N	-1	0	278.377	3.712	20	30		CHEDRM
CCCC[C@@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001595651242	982019394	/nfs/dbraw/zinc/01/93/94/982019394.db2.gz	DLWKOGDQFOPPHU-BXUZGUMPSA-N	-1	0	277.389	3.996	20	30		CHEDRM
CCCC[C@H](SCc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001595657601	982064547	/nfs/dbraw/zinc/06/45/47/982064547.db2.gz	OIEXMYCDKUJYDH-ZDUSSCGKSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCCCCCn1nc(C)c([C@@H](C)C(=O)[O-])c1C	ZINC001595708803	982286826	/nfs/dbraw/zinc/28/68/26/982286826.db2.gz	HATWDTQSLYQODS-LLVKDONJSA-N	-1	0	266.385	3.658	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/CCCc3ccccc3C2=O)cc1	ZINC000916134453	982671776	/nfs/dbraw/zinc/67/17/76/982671776.db2.gz	JLQIRFIRZNRIGD-VBKFSLOCSA-N	-1	0	292.334	3.987	20	30		CHEDRM
CCCc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001596068873	983382665	/nfs/dbraw/zinc/38/26/65/983382665.db2.gz	OBQXBNDHUDCDEA-FPLPWBNLSA-N	-1	0	284.311	3.826	20	30		CHEDRM
C#Cc1cccc(N(C)Cc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001588522439	983571615	/nfs/dbraw/zinc/57/16/15/983571615.db2.gz	XVRHNZBNFFBZOB-UHFFFAOYSA-N	-1	0	299.757	3.656	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588529914	983582726	/nfs/dbraw/zinc/58/27/26/983582726.db2.gz	LOSGWFAMCINLHE-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@H](C(=O)[O-])N1CCCc2cc(-c3ccccc3)ccc21	ZINC001588663587	983795691	/nfs/dbraw/zinc/79/56/91/983795691.db2.gz	OEDJMIIBUVTPEP-QGZVFWFLSA-N	-1	0	293.366	3.745	20	30		CHEDRM
C=C[C@](C)(CC)COC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588682806	983845355	/nfs/dbraw/zinc/84/53/55/983845355.db2.gz	QKFQCSKIFRFTNX-KLAILNCOSA-N	-1	0	294.391	3.557	20	30		CHEDRM
C=CC[C@H](SC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC001588758160	984105290	/nfs/dbraw/zinc/10/52/90/984105290.db2.gz	FCHMJPFECZLFRS-AAEUAGOBSA-N	-1	0	250.363	3.553	20	30		CHEDRM
C=CC[C@@H](Sc1ncc(C(C)C)n1C(C)C)C(=O)[O-]	ZINC001588759664	984113407	/nfs/dbraw/zinc/11/34/07/984113407.db2.gz	YMSCXDYASBWXSK-GFCCVEGCSA-N	-1	0	282.409	3.709	20	30		CHEDRM
C=CC[C@@H]1CC[C@@H](Nc2cc(COC)cc(C(=O)[O-])c2)C1	ZINC001588770555	984134666	/nfs/dbraw/zinc/13/46/66/984134666.db2.gz	ASIXOPSQMHHLLD-IUODEOHRSA-N	-1	0	289.375	3.688	20	30		CHEDRM
C=CCC[C@H](C)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588777479	984156501	/nfs/dbraw/zinc/15/65/01/984156501.db2.gz	AHNLDLZNHCYKPY-NSHDSACASA-N	-1	0	270.332	3.700	20	30		CHEDRM
C=CCCCC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC001588783049	984176327	/nfs/dbraw/zinc/17/63/27/984176327.db2.gz	VTXNDXGPKXBSGD-UHFFFAOYSA-N	-1	0	275.348	3.803	20	30		CHEDRM
C=CCCCCCS[C@H](C)c1nc(C(=O)[O-])co1	ZINC001588799934	984243096	/nfs/dbraw/zinc/24/30/96/984243096.db2.gz	QNPMEVUTUPBKMG-SNVBAGLBSA-N	-1	0	269.366	3.913	20	30		CHEDRM
CC(=NOCc1ccc(C(=O)[O-])o1)c1cc2ccccc2o1	ZINC001589021641	985012383	/nfs/dbraw/zinc/01/23/83/985012383.db2.gz	RFXQFEUZTCHKQU-UHFFFAOYSA-N	-1	0	299.282	3.665	20	30		CHEDRM
CC(C)(CCN=Nc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC001590653947	990344638	/nfs/dbraw/zinc/34/46/38/990344638.db2.gz	GNVXZXBUBIRZHJ-UHFFFAOYSA-N	-1	0	288.269	3.604	20	30		CHEDRM
CC(C)CCCSCc1cccc(C(=O)[O-])c1C#N	ZINC001591238527	992123041	/nfs/dbraw/zinc/12/30/41/992123041.db2.gz	FBYOYPJVZXYPBL-UHFFFAOYSA-N	-1	0	277.389	3.926	20	30		CHEDRM
C[C@H](Nc1cccc(CCC(=O)[O-])c1)c1cccc(C#N)c1	ZINC001593365655	995042297	/nfs/dbraw/zinc/04/22/97/995042297.db2.gz	DVOFCNOVHFDHMR-ZDUSSCGKSA-N	-1	0	294.354	3.749	20	30		CHEDRM
CC1(C)C/C(=C/c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21	ZINC001593842530	996604210	/nfs/dbraw/zinc/60/42/10/996604210.db2.gz	OHFOZJUQAFSMLA-LUAWRHEFSA-N	-1	0	295.338	3.661	20	30		CHEDRM
CC1(C)CCC[C@H]1NN=Cc1cc(C(=O)[O-])ccc1Cl	ZINC001593904768	996783765	/nfs/dbraw/zinc/78/37/65/996783765.db2.gz	KSISIIPVONQYPQ-CYBMUJFWSA-N	-1	0	294.782	3.540	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1csc(C(=O)[O-])c1	ZINC001176439183	1121622134	/nfs/dbraw/zinc/62/21/34/1121622134.db2.gz	OKVPOMYNZSLISU-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
O=C([O-])c1cc(NN=Cc2ccc(Cl)o2)ccc1Cl	ZINC000864536963	1123934703	/nfs/dbraw/zinc/93/47/03/1123934703.db2.gz	VUTQGMWACBVKLR-UHFFFAOYSA-N	-1	0	299.113	3.731	20	30		CHEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1csc(Cl)c1	ZINC001228899283	1131975810	/nfs/dbraw/zinc/97/58/10/1131975810.db2.gz	UCXYWCUYBFDDHN-SSDOTTSWSA-N	-1	0	280.736	3.514	20	30		CHEDRM
N#Cc1c(F)c(Cl)ccc1Nc1ccsc1C(=O)[O-]	ZINC001215397161	1134623315	/nfs/dbraw/zinc/62/33/15/1134623315.db2.gz	ACUXJSRWJDSPEZ-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
N#Cc1sccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211961104	1125525718	/nfs/dbraw/zinc/52/57/18/1125525718.db2.gz	VCHLCRIWZRXJMB-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#CCc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1	ZINC001211965153	1125532660	/nfs/dbraw/zinc/53/26/60/1125532660.db2.gz	QSTIWQGYDHHDRK-UHFFFAOYSA-N	-1	0	286.718	3.848	20	30		CHEDRM
Cc1ccc(F)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000073977151	1125640119	/nfs/dbraw/zinc/64/01/19/1125640119.db2.gz	RHOYMZMOWJEPOP-CYBMUJFWSA-N	-1	0	294.285	3.765	20	30		CHEDRM
O=C(/C=C\c1cccc(F)c1F)c1cc(F)ccc1[O-]	ZINC000757468172	1125755862	/nfs/dbraw/zinc/75/58/62/1125755862.db2.gz	OSLSMNZKSHPSMW-XQRVVYSFSA-N	-1	0	278.229	3.706	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccccc1)c1nc2ccccc2o1	ZINC000054735117	1127138105	/nfs/dbraw/zinc/13/81/05/1127138105.db2.gz	GBSIUMKICADNDN-PLSXKVAHSA-N	-1	0	288.306	3.717	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c1	ZINC000156696143	1127166685	/nfs/dbraw/zinc/16/66/85/1127166685.db2.gz	ROUZURDQWYWOLV-HWKANZROSA-N	-1	0	289.312	3.566	20	30		CHEDRM
CCc1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1CC	ZINC000589197318	1127215150	/nfs/dbraw/zinc/21/51/50/1127215150.db2.gz	QOYTWRCIGASZFW-UHFFFAOYSA-N	-1	0	294.354	3.641	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ncsc2C(C)C)n1	ZINC000355116555	1127319119	/nfs/dbraw/zinc/31/91/19/1127319119.db2.gz	GXCCXCDERYOYCO-VIFPVBQESA-N	-1	0	291.401	3.522	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708829	1127436709	/nfs/dbraw/zinc/43/67/09/1127436709.db2.gz	QDHJJFUBBJFGOU-UHFFFAOYSA-N	-1	0	289.784	3.566	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000046929211	1127467938	/nfs/dbraw/zinc/46/79/38/1127467938.db2.gz	XSUCFCRWPVULGW-UHFFFAOYSA-N	-1	0	283.393	3.529	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000046929951	1127467984	/nfs/dbraw/zinc/46/79/84/1127467984.db2.gz	FMGCCBFAVOXMGB-UHFFFAOYSA-N	-1	0	283.393	3.529	20	30		CHEDRM
C=CCCCSc1n[n-]c(=NCc2ccccc2)s1	ZINC000605076099	1127728277	/nfs/dbraw/zinc/72/82/77/1127728277.db2.gz	JUBUPEPIACNBCO-UHFFFAOYSA-N	-1	0	291.445	3.630	20	30		CHEDRM
CC[C@@H](C)C[C@@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915240	1128065062	/nfs/dbraw/zinc/06/50/62/1128065062.db2.gz	BUNXPIACLGRUIQ-ZYHUDNBSSA-N	-1	0	262.353	3.561	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2csc3ccccc32)c1	ZINC000176392260	1128080199	/nfs/dbraw/zinc/08/01/99/1128080199.db2.gz	NFRLUKDCNKXPLH-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Cl)s2)c1	ZINC000914557901	1128209486	/nfs/dbraw/zinc/20/94/86/1128209486.db2.gz	OHHFEXIRDOIAFB-NSIKDUERSA-N	-1	0	296.735	3.634	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000777782633	1128274723	/nfs/dbraw/zinc/27/47/23/1128274723.db2.gz	VTJQZTVCXRCLBR-UHFFFAOYSA-N	-1	0	277.364	3.894	20	30		CHEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000916240818	1128412642	/nfs/dbraw/zinc/41/26/42/1128412642.db2.gz	PXMAPGVMGCENBR-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
CCC(C[C@H](C)CC)N=Nc1cccc(C(=O)[O-])c1	ZINC000915935204	1128397354	/nfs/dbraw/zinc/39/73/54/1128397354.db2.gz	APBUYBPVAQHKBM-LLVKDONJSA-N	-1	0	262.353	3.999	20	30		CHEDRM
C[C@H]1CC(=NNc2ccc(C#N)cc2)c2c1c(F)ccc2O	ZINC000915961919	1128400554	/nfs/dbraw/zinc/40/05/54/1128400554.db2.gz	KSIROZOXIAYUJJ-JTQLQIEISA-N	-1	0	295.317	3.726	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000916155988	1128410169	/nfs/dbraw/zinc/41/01/69/1128410169.db2.gz	ULWZXEWBBYVCSE-ALCCZGGFSA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1C	ZINC000916240948	1128412105	/nfs/dbraw/zinc/41/21/05/1128412105.db2.gz	XWNYFUIBLDQJHB-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
CCOc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000916240710	1128412442	/nfs/dbraw/zinc/41/24/42/1128412442.db2.gz	UVKVCJORPQAVHE-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1	ZINC000916581833	1128427712	/nfs/dbraw/zinc/42/77/12/1128427712.db2.gz	WDOFGYHCUMQMEH-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
N#Cc1c(F)cc(-c2c(F)cc(F)c([O-])c2F)cc1F	ZINC001235997341	1128449044	/nfs/dbraw/zinc/44/90/44/1128449044.db2.gz	CUKUVHSWHUKFCK-UHFFFAOYSA-N	-1	0	285.171	3.626	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)c1cccc(Cl)c1[O-]	ZINC001127429014	1128497085	/nfs/dbraw/zinc/49/70/85/1128497085.db2.gz	AMXBBZAEWGMTKL-JTQLQIEISA-N	-1	0	267.756	3.520	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545225	1128547750	/nfs/dbraw/zinc/54/77/50/1128547750.db2.gz	TZUPRMKQQCCFJB-CYBMUJFWSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CCc1sc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1C	ZINC000041574832	1128548487	/nfs/dbraw/zinc/54/84/87/1128548487.db2.gz	ZYIHVGUZFRLARQ-GFCCVEGCSA-N	-1	0	299.399	3.516	20	30		CHEDRM
CC1(C)CCC/C(=C/c2cc(F)c([O-])c(F)c2)C1=O	ZINC000158982929	1128672858	/nfs/dbraw/zinc/67/28/58/1128672858.db2.gz	SOXIMWLDQYBFDQ-POHAHGRESA-N	-1	0	266.287	3.833	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2cccs2)c1[O-]	ZINC000920942286	1128695643	/nfs/dbraw/zinc/69/56/43/1128695643.db2.gz	WOHNEEOIFMFDRS-NSIKDUERSA-N	-1	0	296.735	3.634	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cccc(F)c1	ZINC000175315474	1128724019	/nfs/dbraw/zinc/72/40/19/1128724019.db2.gz	OUXKUZRUMYCPBL-SNAWJCMRSA-N	-1	0	278.229	3.706	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)o1	ZINC000048853263	1128732684	/nfs/dbraw/zinc/73/26/84/1128732684.db2.gz	VJCLYNKVESSCKI-CYBMUJFWSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2cc(F)c([O-])cc2F)n1	ZINC001206776061	1117880103	/nfs/dbraw/zinc/88/01/03/1117880103.db2.gz	YQISQKYFCMWLAD-UHFFFAOYSA-N	-1	0	288.297	3.902	20	30		CHEDRM
N#Cc1ccccc1/C=C\C(=O)Nc1cccc(Cl)c1[O-]	ZINC000255031325	1118002563	/nfs/dbraw/zinc/00/25/63/1118002563.db2.gz	UUVONMGNKMNEBB-HJWRWDBZSA-N	-1	0	298.729	3.569	20	30		CHEDRM
CC(C)n1cc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cn1	ZINC000255060965	1118173039	/nfs/dbraw/zinc/17/30/39/1118173039.db2.gz	OZGLHNMKFOFPKQ-HYXAFXHYSA-N	-1	0	290.750	3.719	20	30		CHEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)c1	ZINC000076100113	1128769258	/nfs/dbraw/zinc/76/92/58/1128769258.db2.gz	AYHGRJSVRZBOMP-ZDUSSCGKSA-N	-1	0	297.420	3.713	20	30		CHEDRM
CC1(c2ccccc2C(=O)N(O)Cc2ccc(F)cc2)CC1	ZINC001649075695	1118319515	/nfs/dbraw/zinc/31/95/15/1118319515.db2.gz	BVMYZXWUEPFTLB-UHFFFAOYSA-N	-1	0	299.345	3.909	20	30		CHEDRM
N#Cc1ccc(Cl)nc1Nc1cccc([S-])c1	ZINC001210945398	1118427483	/nfs/dbraw/zinc/42/74/83/1118427483.db2.gz	PCUXTFLDUMFJLA-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccoc2)s1	ZINC000430614939	1118622755	/nfs/dbraw/zinc/62/27/55/1118622755.db2.gz	ANUFVTWGHBYVPE-JTQLQIEISA-N	-1	0	274.345	3.524	20	30		CHEDRM
COc1cc(C(=O)/C=C\c2ccc(C)c(F)c2)ccc1O	ZINC000255345443	1118655029	/nfs/dbraw/zinc/65/50/29/1118655029.db2.gz	YVXPZWCXIOZHRK-ALCCZGGFSA-N	-1	0	286.302	3.744	20	30		CHEDRM
CC(CCC1CC1)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011980	1118772743	/nfs/dbraw/zinc/77/27/43/1118772743.db2.gz	LSMVPWUPPCBEAS-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
N#Cc1csc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000588480338	1118910507	/nfs/dbraw/zinc/91/05/07/1118910507.db2.gz	KIUNAKRSQKOYOL-RQOWECAXSA-N	-1	0	289.743	3.875	20	30		CHEDRM
C=CCCc1ccc(-c2cnn([C@@H](C)CC(=O)[O-])c2)cc1	ZINC000657205721	1118923857	/nfs/dbraw/zinc/92/38/57/1118923857.db2.gz	AAHHXMROYYAYSC-ZDUSSCGKSA-N	-1	0	284.359	3.704	20	30		CHEDRM
Cc1cc(F)ccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728439177	1118946216	/nfs/dbraw/zinc/94/62/16/1118946216.db2.gz	WSDUSGLDLZYWNJ-ZZXKWVIFSA-N	-1	0	274.266	3.875	20	30		CHEDRM
COc1ccc(C)cc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728438988	1118947349	/nfs/dbraw/zinc/94/73/49/1118947349.db2.gz	SPNPHZRTEFPFJA-WAYWQWQTSA-N	-1	0	286.302	3.744	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000342448704	1119032267	/nfs/dbraw/zinc/03/22/67/1119032267.db2.gz	PPBHVYYIFJBRIF-NSHDSACASA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(F)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001211547788	1119105058	/nfs/dbraw/zinc/10/50/58/1119105058.db2.gz	XTKKJFBRFGQXOR-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1F	ZINC001211548873	1119112540	/nfs/dbraw/zinc/11/25/40/1119112540.db2.gz	ATJPXAROHOMWMA-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(C#N)c(F)c2)cc(C(=O)[O-])c1	ZINC001211550007	1119124240	/nfs/dbraw/zinc/12/42/40/1119124240.db2.gz	RTOROGMYSSOLBK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2scnc2C2CC2)c([O-])c1	ZINC000782348163	1119127890	/nfs/dbraw/zinc/12/78/90/1119127890.db2.gz	PYRAVZMGRZMGBS-SREVYHEPSA-N	-1	0	285.368	3.931	20	30		CHEDRM
Cc1csc(Nc2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001211615569	1119510430	/nfs/dbraw/zinc/51/04/30/1119510430.db2.gz	WNYUEHKRONNDTB-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1C	ZINC000588598449	1119529363	/nfs/dbraw/zinc/52/93/63/1119529363.db2.gz	MASDNIUVBZDTNR-ALCCZGGFSA-N	-1	0	286.302	3.744	20	30		CHEDRM
Cc1oc(Nc2ccc(C(=O)[O-])cc2C)c(C#N)c1C	ZINC001211618670	1119532156	/nfs/dbraw/zinc/53/21/56/1119532156.db2.gz	LOIUTYUSHWFCER-UHFFFAOYSA-N	-1	0	270.288	3.518	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])cc1C	ZINC001211624715	1119615502	/nfs/dbraw/zinc/61/55/02/1119615502.db2.gz	RPIRQHCGXOMABJ-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCCOC(F)F	ZINC000588619653	1119628459	/nfs/dbraw/zinc/62/84/59/1119628459.db2.gz	HFGMBVQTPWZYML-SOFYXZRVSA-N	-1	0	298.116	3.747	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(C#N)ccc(F)c1F	ZINC001211626773	1119637271	/nfs/dbraw/zinc/63/72/71/1119637271.db2.gz	WMYJLMVRAHRBOZ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647371757	1119699628	/nfs/dbraw/zinc/69/96/28/1119699628.db2.gz	YDKQJUHBNXYUSK-CYBMUJFWSA-N	-1	0	282.368	3.819	20	30		CHEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000617781633	1128869275	/nfs/dbraw/zinc/86/92/75/1128869275.db2.gz	QTAJDLARNQROKE-JTQLQIEISA-N	-1	0	297.757	3.613	20	30		CHEDRM
O=C([O-])c1csc(/C=C2/CCc3ccccc3C2=O)c1	ZINC000765824023	1120109155	/nfs/dbraw/zinc/10/91/55/1120109155.db2.gz	IPOZODVZUYRUMK-XFFZJAGNSA-N	-1	0	284.336	3.659	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000041545680	1120284025	/nfs/dbraw/zinc/28/40/25/1120284025.db2.gz	MJIQXYFKDQZEHW-CQSZACIVSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])cc(C)c1O	ZINC000184517493	1120357079	/nfs/dbraw/zinc/35/70/79/1120357079.db2.gz	URLQFTYUZMRYDC-ONEGZZNKSA-N	-1	0	274.341	3.672	20	30		CHEDRM
C=C(C)CCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001353629705	1120414273	/nfs/dbraw/zinc/41/42/73/1120414273.db2.gz	BVOPDJQKSMWVCP-UHFFFAOYSA-N	-1	0	274.147	3.994	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC(C)(C)C[C@H]1C	ZINC000766030563	1120673680	/nfs/dbraw/zinc/67/36/80/1120673680.db2.gz	VRZIPZNVZBAQML-SNVBAGLBSA-N	-1	0	290.363	3.617	20	30		CHEDRM
CC(F)(F)CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001162232822	1121031118	/nfs/dbraw/zinc/03/11/18/1121031118.db2.gz	GUCAURVHAHCCHY-BLLMUTORSA-N	-1	0	282.212	3.581	20	30		CHEDRM
CCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001175068902	1121148797	/nfs/dbraw/zinc/14/87/97/1121148797.db2.gz	UEDXUZAXAOSBKD-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175158078	1121188151	/nfs/dbraw/zinc/18/81/51/1121188151.db2.gz	MZGBWTLJCRYHBF-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cn1ccc2c1cccc2Nc1cc(C#N)c(F)cc1[O-]	ZINC001175867590	1121485521	/nfs/dbraw/zinc/48/55/21/1121485521.db2.gz	UVUVBQXIYYXEMJ-UHFFFAOYSA-N	-1	0	281.290	3.638	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cccc(F)c1F	ZINC000182721660	1128994818	/nfs/dbraw/zinc/99/48/18/1128994818.db2.gz	SGEXJYMJBFAHMV-SNAWJCMRSA-N	-1	0	296.219	3.845	20	30		CHEDRM
CC(C)(C)n1cc(C#N)cc1Nc1csc(C(=O)[O-])c1	ZINC001176436590	1121621841	/nfs/dbraw/zinc/62/18/41/1121621841.db2.gz	KTOHZQLIFBUMTR-UHFFFAOYSA-N	-1	0	289.360	3.618	20	30		CHEDRM
N#Cc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1F	ZINC001176595696	1121650358	/nfs/dbraw/zinc/65/03/58/1121650358.db2.gz	UBTGGIVZAVEVGP-RMKNXTFCSA-N	-1	0	282.274	3.539	20	30		CHEDRM
Cc1ccc(-c2csc(C(=O)[O-])c2)c(C)c1C#N	ZINC001206291695	1121709245	/nfs/dbraw/zinc/70/92/45/1121709245.db2.gz	YPUKMZFRHLFMQA-UHFFFAOYSA-N	-1	0	257.314	3.602	20	30		CHEDRM
C=CCNC(=S)[N-]c1cc(Cl)ccc1SCC	ZINC000729163175	1121761785	/nfs/dbraw/zinc/76/17/85/1121761785.db2.gz	VIZXFTHDCSOHBE-UHFFFAOYSA-N	-1	0	286.853	3.924	20	30		CHEDRM
Cc1ccsc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000730149651	1121794666	/nfs/dbraw/zinc/79/46/66/1121794666.db2.gz	YLKVZWOHWHVMPJ-IHWYPQMZSA-N	-1	0	278.354	3.712	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2c(F)cccc2F)cs1	ZINC000730149506	1121794991	/nfs/dbraw/zinc/79/49/91/1121794991.db2.gz	XVNDKPVTUKJACN-PLNGDYQASA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)cc2F)s1	ZINC000730588651	1121814675	/nfs/dbraw/zinc/81/46/75/1121814675.db2.gz	BWRYICNAUXOLAI-DUXPYHPUSA-N	-1	0	294.278	3.621	20	30		CHEDRM
CCC(Cc1cccs1)N=Nc1cccc(C(=O)[O-])c1	ZINC000730946044	1121837303	/nfs/dbraw/zinc/83/73/03/1121837303.db2.gz	YZSYYVDMNZDXGN-UHFFFAOYSA-N	-1	0	288.372	3.867	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1C	ZINC000731157361	1121851493	/nfs/dbraw/zinc/85/14/93/1121851493.db2.gz	WBRSJDGIDYGPRE-KHPPLWFESA-N	-1	0	294.350	3.827	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1F	ZINC000731489676	1121870953	/nfs/dbraw/zinc/87/09/53/1121870953.db2.gz	JFVNECSQQBISRV-GQCTYLIASA-N	-1	0	274.266	3.875	20	30		CHEDRM
CC(CCC1CCCCC1)=NNc1cnnc([O-])c1Cl	ZINC000731926264	1121896106	/nfs/dbraw/zinc/89/61/06/1121896106.db2.gz	TVSPCLVLTWQZPF-UHFFFAOYSA-N	-1	0	296.802	3.984	20	30		CHEDRM
N#Cc1ccc(NC(=O)CCCC2CCCCC2)c(O)c1	ZINC001184224598	1122262729	/nfs/dbraw/zinc/26/27/29/1122262729.db2.gz	LJRIDFHCEGNXPU-UHFFFAOYSA-N	-1	0	286.375	3.953	20	30		CHEDRM
Cc1cccc([C@@H](C)NC(=O)CCC(=O)C2=CC=C[CH]2)c1C	ZINC001184247550	1122264443	/nfs/dbraw/zinc/26/44/43/1122264443.db2.gz	UIWZDGYLBBEIPH-OAHLLOKOSA-N	-1	0	296.390	3.530	20	30		CHEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccsc1	ZINC001185391390	1122336004	/nfs/dbraw/zinc/33/60/04/1122336004.db2.gz	JNWIYAGFJIJRHS-UHFFFAOYSA-N	-1	0	279.386	3.582	20	30		CHEDRM
C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2[CH]CC=C2)c1	ZINC001189285203	1122493693	/nfs/dbraw/zinc/49/36/93/1122493693.db2.gz	KYCHJWBEFLIQAP-INIZCTEOSA-N	-1	0	283.395	3.787	20	30		CHEDRM
CCCCCCOC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001194188281	1122756446	/nfs/dbraw/zinc/75/64/46/1122756446.db2.gz	RSIUEGBOBQDJLD-UHFFFAOYSA-N	-1	0	280.299	3.532	20	30		CHEDRM
C=CCCOCCCCC(=O)Nc1cccc(Cl)c1[O-]	ZINC000342980596	1122983309	/nfs/dbraw/zinc/98/33/09/1122983309.db2.gz	AEVMVNYJVJRBNS-UHFFFAOYSA-N	-1	0	297.782	3.747	20	30		CHEDRM
CCc1ccc(F)cc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000633894504	1129093258	/nfs/dbraw/zinc/09/32/58/1129093258.db2.gz	KMPXUDSLVYAOOD-CYBMUJFWSA-N	-1	0	288.347	3.643	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2sc(C)cc2C)n1	ZINC000633894549	1129093508	/nfs/dbraw/zinc/09/35/08/1129093508.db2.gz	MFNGENUCOJZDFH-SNVBAGLBSA-N	-1	0	276.386	3.620	20	30		CHEDRM
CC(C[C@H](C)CC(C)C)=NNc1cnnc([O-])c1Cl	ZINC000779765977	1129104663	/nfs/dbraw/zinc/10/46/63/1129104663.db2.gz	BYGATUGSDKWMSX-SECBINFHSA-N	-1	0	284.791	3.696	20	30		CHEDRM
COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3O)[C@@H]2C)cc1	ZINC000007333195	1123248948	/nfs/dbraw/zinc/24/89/48/1123248948.db2.gz	FYCKSILJZIAITB-PEHNMLCRSA-N	-1	0	298.313	3.923	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(C(F)F)cc1	ZINC000794481772	1123838285	/nfs/dbraw/zinc/83/82/85/1123838285.db2.gz	HTMGRKYWINBWBK-UHFFFAOYSA-N	-1	0	290.269	3.768	20	30		CHEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])c(F)c1)C(C)(F)F	ZINC000863118105	1123846221	/nfs/dbraw/zinc/84/62/21/1123846221.db2.gz	NFDRXXBDZXOUGR-UHFFFAOYSA-N	-1	0	288.269	3.603	20	30		CHEDRM
S=c1[nH]c2ccccc2nc1N=NC1CCSCC1	ZINC000863129997	1123847578	/nfs/dbraw/zinc/84/75/78/1123847578.db2.gz	ZNQIVZMXFWHTTC-UHFFFAOYSA-N	-1	0	290.417	3.587	20	30		CHEDRM
O=C([O-])c1cc(/C=C\C(=O)C2CCCCC2)ccc1F	ZINC000863182070	1123850007	/nfs/dbraw/zinc/85/00/07/1123850007.db2.gz	YJQSRIIIHJZBDY-CLFYSBASSA-N	-1	0	276.307	3.687	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CCC[C@@H]2CCF)ccc1Cl	ZINC000794854576	1123999138	/nfs/dbraw/zinc/99/91/38/1123999138.db2.gz	IHYJQZOPMAVYSL-SECBINFHSA-N	-1	0	298.745	3.966	20	30		CHEDRM
CC(C)CCCCCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055615	1129163628	/nfs/dbraw/zinc/16/36/28/1129163628.db2.gz	WNLFUSMYIJHKED-UHFFFAOYSA-N	-1	0	289.441	3.822	20	30		CHEDRM
O=C(CC1CCCCCC1)[N-]S(=O)(=O)C1CCCC1	ZINC000086056550	1129163679	/nfs/dbraw/zinc/16/36/79/1129163679.db2.gz	JQFGCIXFTRGJLD-UHFFFAOYSA-N	-1	0	287.425	3.576	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cccc(O)c1	ZINC000794934517	1124084630	/nfs/dbraw/zinc/08/46/30/1124084630.db2.gz	SUDRQLSCZBHYNG-VOTSOKGWSA-N	-1	0	296.322	3.603	20	30		CHEDRM
O=C(/C=C/c1ccc(C(F)F)cc1)c1ccc(O)cc1[O-]	ZINC000794941691	1124093754	/nfs/dbraw/zinc/09/37/54/1124093754.db2.gz	VFYRNNSIUVCJQP-FPYGCLRLSA-N	-1	0	290.265	3.932	20	30		CHEDRM
N#Cc1ncc(-c2ccc3[n-]c(=S)sc3c2)cc1F	ZINC001238992384	1131287724	/nfs/dbraw/zinc/28/77/24/1131287724.db2.gz	JWYFREKAMFDMBH-UHFFFAOYSA-N	-1	0	287.344	3.658	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCCC1)c1ncc(F)cc1F	ZINC001123381390	1131313342	/nfs/dbraw/zinc/31/33/42/1131313342.db2.gz	ICIHQHFHIZWIKC-KTRBRXNASA-N	-1	0	290.313	3.673	20	30		CHEDRM
Cc1cocc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000529008520	1124877294	/nfs/dbraw/zinc/87/72/94/1124877294.db2.gz	KFNXCEQVZJOLEY-SNVBAGLBSA-N	-1	0	288.372	3.832	20	30		CHEDRM
O=C([O-])c1c(F)cc(-c2ccccc2CS)cc1F	ZINC001239363861	1131320898	/nfs/dbraw/zinc/32/08/98/1131320898.db2.gz	YIBQXWGWRCPEIW-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000126307649	1124999381	/nfs/dbraw/zinc/99/93/81/1124999381.db2.gz	HPWWPPUDOCEYPC-MDZDMXLPSA-N	-1	0	266.296	3.589	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)oc1C	ZINC000532267797	1125244876	/nfs/dbraw/zinc/24/48/76/1125244876.db2.gz	FXBDONVBZKWHMQ-GFCCVEGCSA-N	-1	0	293.326	3.571	20	30		CHEDRM
CCC(=NNc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000760219018	1125304797	/nfs/dbraw/zinc/30/47/97/1125304797.db2.gz	STEVZHXTCVMDHS-UHFFFAOYSA-N	-1	0	268.316	3.611	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000027123244	1125385255	/nfs/dbraw/zinc/38/52/55/1125385255.db2.gz	OGJFPKWPMVOZKI-SNAWJCMRSA-N	-1	0	278.354	3.712	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2cccc(Cl)c2)n1	ZINC000041520391	1125433680	/nfs/dbraw/zinc/43/36/80/1125433680.db2.gz	FHRQYNQSHGHKJM-NSHDSACASA-N	-1	0	276.748	3.595	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C2CCC2)n1	ZINC000088817887	1129210952	/nfs/dbraw/zinc/21/09/52/1129210952.db2.gz	JYSLSTACCLTXSL-NSHDSACASA-N	-1	0	260.362	3.553	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1sccc1C	ZINC000733743212	1129269036	/nfs/dbraw/zinc/26/90/36/1129269036.db2.gz	KEJUZEASTJYCPA-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
Cc1ccccc1/C=C1\Cc2cc(O)ccc2C1=O	ZINC000187222452	1129282182	/nfs/dbraw/zinc/28/21/82/1129282182.db2.gz	VMHMITNLURMPFW-RIYZIHGNSA-N	-1	0	250.297	3.523	20	30		CHEDRM
CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000735203728	1129334321	/nfs/dbraw/zinc/33/43/21/1129334321.db2.gz	LXUNGSKTQIIJIO-AZWQULSGSA-N	-1	0	294.354	3.724	20	30		CHEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2cc(F)ccc2s1	ZINC000744117920	1129553654	/nfs/dbraw/zinc/55/36/54/1129553654.db2.gz	FHCYRZJCAOZMHG-MZBZXASESA-N	-1	0	286.331	3.578	20	30		CHEDRM
COc1ccc(-c2cc(C)c(C#N)c(C)c2)cc1C(=O)[O-]	ZINC001241868255	1129625574	/nfs/dbraw/zinc/62/55/74/1129625574.db2.gz	AMQFRXWXSDBQCZ-UHFFFAOYSA-N	-1	0	281.311	3.549	20	30		CHEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc(Cl)c([O-])c1	ZINC001212595155	1129758029	/nfs/dbraw/zinc/75/80/29/1129758029.db2.gz	KETGFKHBKFBNEV-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccccc2C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000767761869	1129811556	/nfs/dbraw/zinc/81/15/56/1129811556.db2.gz	CRHXKTKQOQVAAL-WFASDCNBSA-N	-1	0	294.354	3.976	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCC[C@H]1CCCF	ZINC000800807934	1129889442	/nfs/dbraw/zinc/88/94/42/1129889442.db2.gz	DAEJBVMBCATHSV-NSHDSACASA-N	-1	0	278.327	3.703	20	30		CHEDRM
O=C(C=Cc1ccc(OC(F)F)cc1)c1sccc1[O-]	ZINC000771744714	1129989192	/nfs/dbraw/zinc/98/91/92/1129989192.db2.gz	MODRIVNAENBTCS-UTCJRWHESA-N	-1	0	296.294	3.951	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2cscc2Cl)cc1	ZINC000771864148	1129991882	/nfs/dbraw/zinc/99/18/82/1129991882.db2.gz	NXMJSJTZIYJZDR-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
O=C(/C=C\c1coc2ccccc12)c1ccc(O)cc1[O-]	ZINC000746520248	1129997091	/nfs/dbraw/zinc/99/70/91/1129997091.db2.gz	MYLKMEYVHKAVBS-YVMONPNESA-N	-1	0	280.279	3.740	20	30		CHEDRM
CC(C)(C)c1[n-]n(CCCC(C)(F)F)c(=O)c1CCC#N	ZINC000902287484	1129997208	/nfs/dbraw/zinc/99/72/08/1129997208.db2.gz	VJQIMNOGVNANHF-UHFFFAOYSA-N	-1	0	299.365	3.778	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NNC2CCCCC2)cc1Cl	ZINC000786040541	1130075891	/nfs/dbraw/zinc/07/58/91/1130075891.db2.gz	ONGDEEMIHSCECL-UHFFFAOYSA-N	-1	0	287.190	3.955	20	30		CHEDRM
CC(N=Nc1ccccc1C(=O)[O-])C1CCC(F)(F)CC1	ZINC000788702610	1130203066	/nfs/dbraw/zinc/20/30/66/1130203066.db2.gz	UCQYYGZEJHCZNR-UHFFFAOYSA-N	-1	0	296.317	3.998	20	30		CHEDRM
O=C1c2ccc(O)cc2C/C1=C\c1nc2c(s1)CCCC2	ZINC000780188354	1130233664	/nfs/dbraw/zinc/23/36/64/1130233664.db2.gz	NZLZBXIDGQOOHA-PKNBQFBNSA-N	-1	0	297.379	3.550	20	30		CHEDRM
O=C1c2ccc(O)cc2C/C1=C/c1nccc2ccccc21	ZINC000780188167	1130233955	/nfs/dbraw/zinc/23/39/55/1130233955.db2.gz	LRYVZZKWQZHCJK-KAMYIIQDSA-N	-1	0	287.318	3.763	20	30		CHEDRM
N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000826861085	1130297854	/nfs/dbraw/zinc/29/78/54/1130297854.db2.gz	ANNKILUJTOJKFZ-JTQLQIEISA-N	-1	0	299.201	3.825	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)c(F)c1	ZINC001243203806	1130317579	/nfs/dbraw/zinc/31/75/79/1130317579.db2.gz	LRBBWRFWEBUKOT-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
N#CCc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1F	ZINC001240549717	1130352159	/nfs/dbraw/zinc/35/21/59/1130352159.db2.gz	BGTRMSBNYOKEPH-QPJJXVBHSA-N	-1	0	281.286	3.657	20	30		CHEDRM
N#CCc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)c(F)c1	ZINC001240549798	1130352829	/nfs/dbraw/zinc/35/28/29/1130352829.db2.gz	WWFSPNPOOKRAHY-FNORWQNLSA-N	-1	0	281.286	3.657	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240550633	1130353625	/nfs/dbraw/zinc/35/36/25/1130353625.db2.gz	IAVWFBQBPWQLPY-SOFGYWHQSA-N	-1	0	277.323	3.826	20	30		CHEDRM
O=C(/C=C/c1cncc2ccccc12)c1ccccc1[O-]	ZINC000772801843	1130460257	/nfs/dbraw/zinc/46/02/57/1130460257.db2.gz	OFFVJVDIFMKOKP-MDZDMXLPSA-N	-1	0	275.307	3.837	20	30		CHEDRM
O=C(/C=C/c1cncc2ccccc12)c1ccc([O-])c(F)c1	ZINC000772808727	1130477925	/nfs/dbraw/zinc/47/79/25/1130477925.db2.gz	WJRYREFNVXSEST-VOTSOKGWSA-N	-1	0	293.297	3.976	20	30		CHEDRM
S=c1[n-]c2cc(NCC#Cc3ccccc3)ccc2o1	ZINC001170429964	1130543984	/nfs/dbraw/zinc/54/39/84/1130543984.db2.gz	TZEGOCWQSOCDJJ-UHFFFAOYSA-N	-1	0	280.352	3.580	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc2c(cc1C#N)CCCC2	ZINC001241000578	1130558903	/nfs/dbraw/zinc/55/89/03/1130558903.db2.gz	QPCLGFTUQALFKD-UHFFFAOYSA-N	-1	0	292.338	3.506	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(F)c(C#N)c1F	ZINC001241003508	1130560472	/nfs/dbraw/zinc/56/04/72/1130560472.db2.gz	QRGONLJUVBDIJE-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
CC1(C)CCCc2cc(C#N)c(-c3ccccc3[O-])nc21	ZINC001241007858	1130563067	/nfs/dbraw/zinc/56/30/67/1130563067.db2.gz	ANSIYGMMYDYPOA-UHFFFAOYSA-N	-1	0	278.355	3.940	20	30		CHEDRM
C[C@@H](Oc1ccc2[n-]c(=S)sc2c1)[C@H](C)S	ZINC001234426044	1130643672	/nfs/dbraw/zinc/64/36/72/1130643672.db2.gz	YKKNZVNOXMFAOH-RQJHMYQMSA-N	-1	0	271.432	3.671	20	30		CHEDRM
C#C[C@@H]1CCC[C@@H]1Oc1ccc2[n-]c(=S)sc2c1	ZINC001234425863	1130643844	/nfs/dbraw/zinc/64/38/44/1130643844.db2.gz	XHVIMWCKGKTCFS-SKDRFNHKSA-N	-1	0	275.398	3.766	20	30		CHEDRM
CCCn1nc(C)c(/C=C\C(=O)c2ccc(C)cc2[O-])c1C	ZINC000759652339	1130666606	/nfs/dbraw/zinc/66/66/06/1130666606.db2.gz	GPUIAIPJQLTHQI-HJWRWDBZSA-N	-1	0	298.386	3.820	20	30		CHEDRM
O=C(/C=C/c1cccc(Cl)c1F)c1ccc(O)cc1[O-]	ZINC000759653076	1130667221	/nfs/dbraw/zinc/66/72/21/1130667221.db2.gz	OGGWGVRCWCXJEB-QPJJXVBHSA-N	-1	0	292.693	3.786	20	30		CHEDRM
[O-]N=Cc1ccccc1O[C@@H]1CCc2c1cc(F)cc2F	ZINC001234820061	1130678944	/nfs/dbraw/zinc/67/89/44/1130678944.db2.gz	RJCLHIPOISEKGF-MRXNPFEDSA-N	-1	0	289.281	3.839	20	30		CHEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1	ZINC000812443434	1130691019	/nfs/dbraw/zinc/69/10/19/1130691019.db2.gz	RRANOFLKQABFFF-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CC(c2cccc(F)c2)C1	ZINC000781585084	1130728904	/nfs/dbraw/zinc/72/89/04/1130728904.db2.gz	GCAGKSNXSWCJQA-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3ccc(/C=C/C(=O)[O-])cc3)cc12	ZINC001235459886	1130746868	/nfs/dbraw/zinc/74/68/68/1130746868.db2.gz	VURUKEDWCWXCJS-FPYGCLRLSA-N	-1	0	288.306	3.804	20	30		CHEDRM
O=C(/C=C\c1ccc2cnccc2c1)c1ccc(O)cc1[O-]	ZINC000782342200	1130773284	/nfs/dbraw/zinc/77/32/84/1130773284.db2.gz	ORALMKQGYHIOLC-KXFIGUGUSA-N	-1	0	291.306	3.542	20	30		CHEDRM
O=C(C=Cc1ccc2cnccc2c1)c1sccc1[O-]	ZINC000782350969	1130774679	/nfs/dbraw/zinc/77/46/79/1130774679.db2.gz	GNFKRPNYSQLFEX-DUXPYHPUSA-N	-1	0	281.336	3.898	20	30		CHEDRM
O=C(C=Cc1scnc1C1CC1)c1sccc1[O-]	ZINC000782352834	1130774767	/nfs/dbraw/zinc/77/47/67/1130774767.db2.gz	VTPONJDJOPCNMW-ONEGZZNKSA-N	-1	0	277.370	3.684	20	30		CHEDRM
Cc1cc(-c2c(F)cc(F)c([O-])c2F)ccc1CC#N	ZINC001235997059	1130827150	/nfs/dbraw/zinc/82/71/50/1130827150.db2.gz	OJBMBKKKDPVGDV-UHFFFAOYSA-N	-1	0	277.245	3.851	20	30		CHEDRM
[O-]c1c(F)cc(F)c(-c2ccccc2CS)c1F	ZINC001236002008	1130829946	/nfs/dbraw/zinc/82/99/46/1130829946.db2.gz	HRDRFJFJELEVFR-UHFFFAOYSA-N	-1	0	270.275	3.906	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/Cc3ccccc3C2=O)c(Cl)c1	ZINC000783696153	1130847907	/nfs/dbraw/zinc/84/79/07/1130847907.db2.gz	FMJKFIIZCJUWFO-JYRVWZFOSA-N	-1	0	298.725	3.861	20	30		CHEDRM
Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2Cl)cc1	ZINC000783770599	1130854104	/nfs/dbraw/zinc/85/41/04/1130854104.db2.gz	AHAFUYRRCSBKCD-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
Cc1ccnc(-c2ccc(C(=O)[O-])c(C)c2Cl)c1C#N	ZINC001236107939	1130865619	/nfs/dbraw/zinc/86/56/19/1130865619.db2.gz	JJIGPUNWFITCPZ-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
O=C([O-])c1ccc(N=NCCC2CCCCC2)cc1	ZINC000814680996	1130894222	/nfs/dbraw/zinc/89/42/22/1130894222.db2.gz	RQVUAUHFCCKISG-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
CC(=NNc1ccc(C)cc1)c1csc(C(=O)[O-])c1	ZINC000814685563	1130896050	/nfs/dbraw/zinc/89/60/50/1130896050.db2.gz	JKOJJPNOLGSEGJ-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
CC(C)CCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814690202	1130901132	/nfs/dbraw/zinc/90/11/32/1130901132.db2.gz	XXEOIVUIANOPMJ-UHFFFAOYSA-N	-1	0	268.744	3.872	20	30		CHEDRM
COc1cccc(N=NC(C)CCCCCCC(=O)[O-])c1	ZINC000814778710	1130908929	/nfs/dbraw/zinc/90/89/29/1130908929.db2.gz	SCZNGTOYTPJUOJ-UHFFFAOYSA-N	-1	0	292.379	3.908	20	30		CHEDRM
CC(=NNCc1cccc(C)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814873349	1130928026	/nfs/dbraw/zinc/92/80/26/1130928026.db2.gz	XLVQNWYMFAZENY-CQSZACIVSA-N	-1	0	290.407	3.742	20	30		CHEDRM
CC(=NNCCC(C)(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000814901459	1130932190	/nfs/dbraw/zinc/93/21/90/1130932190.db2.gz	OAHNUSWFGTVYCK-GFCCVEGCSA-N	-1	0	270.417	3.669	20	30		CHEDRM
CC(=NNCCC(C)(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814901460	1130932235	/nfs/dbraw/zinc/93/22/35/1130932235.db2.gz	OAHNUSWFGTVYCK-LBPRGKRZSA-N	-1	0	270.417	3.669	20	30		CHEDRM
C[C@H]1CC(N=Nc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-]	ZINC000814904869	1130933580	/nfs/dbraw/zinc/93/35/80/1130933580.db2.gz	CBAFLEFCNFUMGE-WPRPVWTQSA-N	-1	0	298.745	3.768	20	30		CHEDRM
Cc1cccc(F)c1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000814905044	1130933614	/nfs/dbraw/zinc/93/36/14/1130933614.db2.gz	MAAUHHHXRSXEJV-UHFFFAOYSA-N	-1	0	278.327	3.567	20	30		CHEDRM
CC(=NOCCC(F)(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000814909081	1130935230	/nfs/dbraw/zinc/93/52/30/1130935230.db2.gz	DSMBWNAHUAOPOS-SECBINFHSA-N	-1	0	283.290	3.612	20	30		CHEDRM
COc1ccc(C#N)cc1-c1ccc([S-])cc1F	ZINC001236543828	1130970129	/nfs/dbraw/zinc/97/01/29/1130970129.db2.gz	NSOJHUXPNPRKBG-UHFFFAOYSA-N	-1	0	259.305	3.662	20	30		CHEDRM
C=CCC(C)(C)c1noc(-c2cccc(Cl)c2[O-])n1	ZINC000815704749	1131019849	/nfs/dbraw/zinc/01/98/49/1131019849.db2.gz	OOYVTVZPUMJOBK-UHFFFAOYSA-N	-1	0	278.739	3.949	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1cc([O-])c(F)c(F)c1F	ZINC001245636485	1131095938	/nfs/dbraw/zinc/09/59/38/1131095938.db2.gz	ZHSWOTDNUAHZKF-UHFFFAOYSA-N	-1	0	279.261	3.908	20	30		CHEDRM
COc1cccc(/C=C\C(=O)c2ccc(C)cc2[O-])c1F	ZINC000799891167	1131112705	/nfs/dbraw/zinc/11/27/05/1131112705.db2.gz	ADNOUTDDCYMFLI-CLFYSBASSA-N	-1	0	286.302	3.744	20	30		CHEDRM
COc1ccc(-c2cc(Cl)c([O-])cc2F)cc1CC#N	ZINC001245669531	1131116897	/nfs/dbraw/zinc/11/68/97/1131116897.db2.gz	IPXMGCIJLQKUJA-UHFFFAOYSA-N	-1	0	291.709	3.926	20	30		CHEDRM
Cc1ccc(CC(C)N=Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001116113828	1131128962	/nfs/dbraw/zinc/12/89/62/1131128962.db2.gz	UZHMYLHQOMLDJY-UHFFFAOYSA-N	-1	0	282.343	3.724	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CC12CC2	ZINC000818991463	1131224057	/nfs/dbraw/zinc/22/40/57/1131224057.db2.gz	DNXQQZNHNBDAQS-JFEKIERCSA-N	-1	0	256.132	3.670	20	30		CHEDRM
CC[C@H](C)CCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001137933149	1131438139	/nfs/dbraw/zinc/43/81/39/1131438139.db2.gz	WCTABFAQKKIQOG-LBPRGKRZSA-N	-1	0	274.364	3.809	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl	ZINC000846548089	1131713202	/nfs/dbraw/zinc/71/32/02/1131713202.db2.gz	CYWLOCJSEFWZMV-RKDXNWHRSA-N	-1	0	288.174	3.719	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCCC12CCC2	ZINC000834934585	1131737279	/nfs/dbraw/zinc/73/72/79/1131737279.db2.gz	FFDFZDJONFYGOJ-UHFFFAOYSA-N	-1	0	258.321	3.507	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCCCC1	ZINC000835010359	1131754795	/nfs/dbraw/zinc/75/47/95/1131754795.db2.gz	YPPBZWGBFODAFK-UHFFFAOYSA-N	-1	0	278.327	3.892	20	30		CHEDRM
C=CC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012836	1131755263	/nfs/dbraw/zinc/75/52/63/1131755263.db2.gz	WSVZJFGUQJRLJN-VIFPVBQESA-N	-1	0	264.300	3.524	20	30		CHEDRM
CCc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000835011605	1131755561	/nfs/dbraw/zinc/75/55/61/1131755561.db2.gz	RDJKJGYJOIYKCW-DGCLKSJQSA-N	-1	0	274.364	3.538	20	30		CHEDRM
C=CCCC[C@@H](C(=O)[N-]OC(C)C)c1ccccc1	ZINC001141475988	1132138811	/nfs/dbraw/zinc/13/88/11/1132138811.db2.gz	DSQLNEQHSAVESH-OAHLLOKOSA-N	-1	0	261.365	3.583	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc[n-]c(=O)c2Cl)C1	ZINC001230013674	1132144365	/nfs/dbraw/zinc/14/43/65/1132144365.db2.gz	HZVCHRNBDYGUAZ-GHMZBOCLSA-N	-1	0	280.755	3.515	20	30		CHEDRM
C#C[C@H](CC(C)C)Oc1cccc2oc(=S)[n-]c21	ZINC001231065276	1132250233	/nfs/dbraw/zinc/25/02/33/1132250233.db2.gz	LJIWVCVLEVOFAS-SNVBAGLBSA-N	-1	0	261.346	3.543	20	30		CHEDRM
C=C[C@H](C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231209868	1132271373	/nfs/dbraw/zinc/27/13/73/1132271373.db2.gz	FHGKEEZEZFZDGV-LBPRGKRZSA-N	-1	0	268.312	3.577	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC(F)(F)CC2)c(F)c1	ZINC000842536699	1132439727	/nfs/dbraw/zinc/43/97/27/1132439727.db2.gz	XJQZVJZSUHCQHS-UHFFFAOYSA-N	-1	0	286.253	3.501	20	30		CHEDRM
N#Cc1cnc(Nc2ccc(Cl)c([O-])c2F)c(Cl)c1	ZINC001214794045	1132552110	/nfs/dbraw/zinc/55/21/10/1132552110.db2.gz	WMWMBGAVHKHUAS-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
C=CCCC(C)(C)CNC(=O)c1ncc2ccccc2c1O	ZINC001150960860	1132562924	/nfs/dbraw/zinc/56/29/24/1132562924.db2.gz	JLPZSDFTSLDXEP-UHFFFAOYSA-N	-1	0	298.386	3.663	20	30		CHEDRM
CCc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001173871059	1132574407	/nfs/dbraw/zinc/57/44/07/1132574407.db2.gz	RKNFLVFIAISYIP-UHFFFAOYSA-N	-1	0	256.280	3.709	20	30		CHEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(Cl)c([O-])c1	ZINC001154223046	1132610911	/nfs/dbraw/zinc/61/09/11/1132610911.db2.gz	BOUSUEOFMSQIQI-UHFFFAOYSA-N	-1	0	281.783	3.768	20	30		CHEDRM
C[C@@H](Oc1c(Br)cccc1C#N)C1=CC=C[CH]1	ZINC001233694379	1132665046	/nfs/dbraw/zinc/66/50/46/1132665046.db2.gz	HOYXUOSDFHFJCK-SNVBAGLBSA-N	-1	0	289.152	3.789	20	30		CHEDRM
CC[C@@H](C)CC[C@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919279	1132698187	/nfs/dbraw/zinc/69/81/87/1132698187.db2.gz	DJMCBYZBZKEROU-PWSUYJOCSA-N	-1	0	262.353	3.561	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cccc(/C=C/C(=O)[O-])c2)s1	ZINC001174495861	1132862781	/nfs/dbraw/zinc/86/27/81/1132862781.db2.gz	YLESIJJPFQMXKL-AATRIKPKSA-N	-1	0	284.340	3.770	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc2[nH]ccc21	ZINC001174645355	1132938225	/nfs/dbraw/zinc/93/82/25/1132938225.db2.gz	GYXLFSPYZFEYKZ-UHFFFAOYSA-N	-1	0	255.302	3.550	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1Nc1cc(C#N)c(C)cc1C	ZINC001174679785	1132945859	/nfs/dbraw/zinc/94/58/59/1132945859.db2.gz	GODRPWWUOXRNLH-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
C=CCCC[C@@H](C(=O)[N-]OCC(=C)C)c1ccccc1	ZINC001164455258	1133220593	/nfs/dbraw/zinc/22/05/93/1133220593.db2.gz	NNSDINDDKBBVDX-MRXNPFEDSA-N	-1	0	273.376	3.750	20	30		CHEDRM
N#CCc1cccc(-c2ccc(F)c(C(=O)[O-])c2F)c1F	ZINC001205088560	1133527221	/nfs/dbraw/zinc/52/72/21/1133527221.db2.gz	KXCVCHRIUVXKFZ-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205100317	1133528464	/nfs/dbraw/zinc/52/84/64/1133528464.db2.gz	NLQZYVCFBQRVSG-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
N#CCc1cc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1F	ZINC001205095372	1133529156	/nfs/dbraw/zinc/52/91/56/1133529156.db2.gz	GMWLMIDSAZRVBT-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
[O-]/N=C/c1ccc(-c2c(F)cc(F)c(F)c2F)cc1F	ZINC001205192153	1133544503	/nfs/dbraw/zinc/54/45/03/1133544503.db2.gz	WEQJYXSIBLJRCX-PTXOJBNSSA-N	-1	0	287.187	3.857	20	30		CHEDRM
N#Cc1cnc(-c2ccsc2C(=O)[O-])c2ccccc12	ZINC001205378247	1133572037	/nfs/dbraw/zinc/57/20/37/1133572037.db2.gz	MCANUFLUWICBBD-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CC[C@H](C#Cc1ccccc1)OCc1ccc(C(=O)[O-])cc1	ZINC001205690935	1133604032	/nfs/dbraw/zinc/60/40/32/1133604032.db2.gz	RSYSWUSOKIWPGP-GOSISDBHSA-N	-1	0	294.350	3.732	20	30		CHEDRM
CC[C@@H](C#Cc1ccccc1)OCc1ccc(C(=O)[O-])cc1	ZINC001205690936	1133604142	/nfs/dbraw/zinc/60/41/42/1133604142.db2.gz	RSYSWUSOKIWPGP-SFHVURJKSA-N	-1	0	294.350	3.732	20	30		CHEDRM
Cc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc(C)c1C#N	ZINC001206031841	1133645227	/nfs/dbraw/zinc/64/52/27/1133645227.db2.gz	UROPTHQKIQBLJG-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
N#Cc1c(-c2csc(C(=O)[O-])c2)ccc2ncccc12	ZINC001206298429	1133685324	/nfs/dbraw/zinc/68/53/24/1133685324.db2.gz	FGPMDNPDBZONEB-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cn1	ZINC001209645914	1134043916	/nfs/dbraw/zinc/04/39/16/1134043916.db2.gz	DNQCOYONSXWZAB-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
CCCOc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001209866290	1134089773	/nfs/dbraw/zinc/08/97/73/1134089773.db2.gz	AOQBDXVGHGFUED-UHFFFAOYSA-N	-1	0	274.345	3.858	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1Cl	ZINC001209889666	1134096195	/nfs/dbraw/zinc/09/61/95/1134096195.db2.gz	RHMSXROECGXTKJ-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CC(C)c1ccc(Nc2ccc(C(=O)[O-])nc2)c(C#N)c1	ZINC001210176188	1134160038	/nfs/dbraw/zinc/16/00/38/1134160038.db2.gz	RDTWNBYAJNNPQA-UHFFFAOYSA-N	-1	0	281.315	3.518	20	30		CHEDRM
Cc1cc(Nc2ccc(Cl)cc2[S-])cnc1C#N	ZINC001210208634	1134166118	/nfs/dbraw/zinc/16/61/18/1134166118.db2.gz	IXEOPEZNLUBMDC-UHFFFAOYSA-N	-1	0	275.764	3.947	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210401717	1134208805	/nfs/dbraw/zinc/20/88/05/1134208805.db2.gz	XYRQFVBALRPGIZ-UHFFFAOYSA-N	-1	0	283.287	3.533	20	30		CHEDRM
C#Cc1cccnc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210924397	1134330248	/nfs/dbraw/zinc/33/02/48/1134330248.db2.gz	LNVIXBWIAOVSIA-UHFFFAOYSA-N	-1	0	279.126	3.819	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)c([O-])cc2Cl)ccc1N	ZINC001213437347	1134448665	/nfs/dbraw/zinc/44/86/65/1134448665.db2.gz	XOILSSXZZGRUJP-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
N#Cc1ccccc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214486489	1134543124	/nfs/dbraw/zinc/54/31/24/1134543124.db2.gz	KDZJUZXTVVEUNA-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1ccc(Cl)nc1Nc1c(Cl)ccc([O-])c1F	ZINC001214556319	1134551152	/nfs/dbraw/zinc/55/11/52/1134551152.db2.gz	PQJUSXGTBNQBGN-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)cc1F	ZINC001214801504	1134575413	/nfs/dbraw/zinc/57/54/13/1134575413.db2.gz	MZSWWIJMUPFUTP-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CSc1ncc(Nc2scc([O-])c2C#N)cc1Cl	ZINC001216026498	1134753048	/nfs/dbraw/zinc/75/30/48/1134753048.db2.gz	MWXTZUKGYGRJDV-UHFFFAOYSA-N	-1	0	297.792	3.839	20	30		CHEDRM
Cc1cc(Nc2cc(F)ccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216311075	1134845589	/nfs/dbraw/zinc/84/55/89/1134845589.db2.gz	DABLOVWWFCAMDC-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1cc(Nc2cccc(C#N)c2F)cc(C)c1C(=O)[O-]	ZINC001216312006	1134846627	/nfs/dbraw/zinc/84/66/27/1134846627.db2.gz	XRUQJYRCIKQYQH-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1sc(Nc2cccc(C(=O)[O-])c2C)c(C#N)c1C	ZINC001216656952	1134940222	/nfs/dbraw/zinc/94/02/22/1134940222.db2.gz	MVTWZCDFQIEHSC-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
Cc1c(Nc2onc(C(C)(C)C)c2C#N)cccc1C(=O)[O-]	ZINC001216658370	1134940416	/nfs/dbraw/zinc/94/04/16/1134940416.db2.gz	ZUNBNXLUYYWKQL-UHFFFAOYSA-N	-1	0	299.330	3.594	20	30		CHEDRM
N#Cc1cc(-c2nc(-c3ccccc3Cl)no2)ccc1[O-]	ZINC001216968119	1134954826	/nfs/dbraw/zinc/95/48/26/1134954826.db2.gz	RKDRBUMOSRESCZ-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
N#Cc1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1[O-]	ZINC001216979757	1134957059	/nfs/dbraw/zinc/95/70/59/1134957059.db2.gz	IRCGVCNOZOJOHA-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2ccc(Cl)c(CO)c2F)c1	ZINC001222361468	1135231311	/nfs/dbraw/zinc/23/13/11/1135231311.db2.gz	DVXMFBCQOPBDQA-NGYBGAFCSA-N	-1	0	297.688	3.586	20	30		CHEDRM
C=C(C)c1cncc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001222685096	1135263600	/nfs/dbraw/zinc/26/36/00/1135263600.db2.gz	FRHKJVURIIGAIB-UHFFFAOYSA-N	-1	0	279.339	3.898	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccncc1	ZINC001223597340	1135364118	/nfs/dbraw/zinc/36/41/18/1135364118.db2.gz	SFUDJCDBLAHNHS-BXWLNTHASA-N	-1	0	276.723	3.649	20	30		CHEDRM
C=CC[C@@H](CCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893060	1135395723	/nfs/dbraw/zinc/39/57/23/1135395723.db2.gz	QBFSLDFAUGOMMM-ICDILTBESA-N	-1	0	293.363	3.601	20	30		CHEDRM
CC[C@H](C#Cc1ccccc1)Oc1cc(C(C)=O)ccc1O	ZINC001225995950	1135649398	/nfs/dbraw/zinc/64/93/98/1135649398.db2.gz	VMTURHNFONWUJJ-QGZVFWFLSA-N	-1	0	294.350	3.804	20	30		CHEDRM
CC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C1CCCCC1	ZINC001226008392	1135651875	/nfs/dbraw/zinc/65/18/75/1135651875.db2.gz	HCIDNBLSAZJBDG-CYBMUJFWSA-N	-1	0	278.327	3.536	20	30		CHEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1csc(Cl)c1	ZINC001226013617	1135652630	/nfs/dbraw/zinc/65/26/30/1135652630.db2.gz	OTXALXXRAILNNH-ZCFIWIBFSA-N	-1	0	298.726	3.653	20	30		CHEDRM
C=CC[C@H](Oc1nccc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001226327171	1135685101	/nfs/dbraw/zinc/68/51/01/1135685101.db2.gz	RVACSJIOTUOARG-LBPRGKRZSA-N	-1	0	276.723	3.532	20	30		CHEDRM
C=C[C@@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)c1ccccc1	ZINC001226347223	1135686106	/nfs/dbraw/zinc/68/61/06/1135686106.db2.gz	PGEXRNYGIOQWGC-SNVBAGLBSA-N	-1	0	296.248	3.507	20	30		CHEDRM
C=C[C@H](CCCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605732	1135849580	/nfs/dbraw/zinc/84/95/80/1135849580.db2.gz	NARLVJPWJLKRSC-SSDOTTSWSA-N	-1	0	277.151	3.613	20	30		CHEDRM
C=CCN=c1[n-]nc(SCc2cc(C)sc2C)s1	ZINC000517996607	260332619	/nfs/dbraw/zinc/33/26/19/260332619.db2.gz	XPJIGKDVCAWFHJ-UHFFFAOYSA-N	-1	0	297.474	3.529	20	30		CHEDRM
CC(C)(C)c1[n-]n(CC2CCCC2)c(=O)c1CCC#N	ZINC000153493074	261079210	/nfs/dbraw/zinc/07/92/10/261079210.db2.gz	XUWAMLOSMWLRAY-UHFFFAOYSA-N	-1	0	275.396	3.533	20	30		CHEDRM
Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000175122040	261209311	/nfs/dbraw/zinc/20/93/11/261209311.db2.gz	MPXGXEDRIYSSNX-JTQLQIEISA-N	-1	0	282.324	3.688	20	30		CHEDRM
Cc1cc(F)ccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178468727	261394265	/nfs/dbraw/zinc/39/42/65/261394265.db2.gz	DBJRTMPZTRWBSN-ZDUSSCGKSA-N	-1	0	294.285	3.765	20	30		CHEDRM
C=CC[C@H](C(=O)NCc1ccc(O)c(F)c1)c1ccccc1	ZINC000186894735	262327977	/nfs/dbraw/zinc/32/79/77/262327977.db2.gz	QSTUKNMWBYTQGU-HNNXBMFYSA-N	-1	0	299.345	3.507	20	30		CHEDRM
N#CC(=C([O-])c1cc[nH]c1C1CC1)c1nc2ccccc2o1	ZINC000340367773	263120083	/nfs/dbraw/zinc/12/00/83/263120083.db2.gz	ZTLLXQSUSVKHPP-LBPRGKRZSA-N	-1	0	291.310	3.523	20	30		CHEDRM
N#CC(=C([O-])c1ccc(-c2ccccc2)o1)c1ccccn1	ZINC000344426379	265059200	/nfs/dbraw/zinc/05/92/00/265059200.db2.gz	XWXFUMLKXVPPOB-CQSZACIVSA-N	-1	0	288.306	3.832	20	30		CHEDRM
C=CCCC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CC1	ZINC000356790326	266175381	/nfs/dbraw/zinc/17/53/81/266175381.db2.gz	YQTXFDMKIXNERV-UHFFFAOYSA-N	-1	0	283.730	3.870	20	30		CHEDRM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)C)c1C	ZINC000069603934	326902445	/nfs/dbraw/zinc/90/24/45/326902445.db2.gz	ONTRAUBMYDJMJI-UHFFFAOYSA-N	-1	0	297.420	3.612	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000189033989	329374719	/nfs/dbraw/zinc/37/47/19/329374719.db2.gz	JHWHJDHTOMJJMT-ZDUSSCGKSA-N	-1	0	253.729	3.586	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCC1	ZINC000263555028	330059307	/nfs/dbraw/zinc/05/93/07/330059307.db2.gz	YJUMYHAGOISNHI-UHFFFAOYSA-N	-1	0	287.359	3.687	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080451074	330131001	/nfs/dbraw/zinc/13/10/01/330131001.db2.gz	IIOCBZLSTBVYRC-LLVKDONJSA-N	-1	0	274.345	3.658	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(Cl)cs1	ZINC000195336086	331170113	/nfs/dbraw/zinc/17/01/13/331170113.db2.gz	ZPSPHRJOZUOIBU-DUXPYHPUSA-N	-1	0	290.731	3.537	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000569225400	334862219	/nfs/dbraw/zinc/86/22/19/334862219.db2.gz	KVAQDSXNGCAYBN-LLVKDONJSA-N	-1	0	251.285	3.679	20	30		CHEDRM
N#Cc1sccc1-c1ccccc1CC1(C(=O)[O-])CC1	ZINC000581736752	336140601	/nfs/dbraw/zinc/14/06/01/336140601.db2.gz	HLTNNVUGDYEWEP-UHFFFAOYSA-N	-1	0	283.352	3.694	20	30		CHEDRM
O=C(CC1(C(=O)[O-])CCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000329946656	534481945	/nfs/dbraw/zinc/48/19/45/534481945.db2.gz	YAXZRNRONCUJIA-MELADBBJSA-N	-1	0	293.407	3.947	20	30		CHEDRM
C=CCc1ccccc1OC(=O)c1cccc(NC(=O)[O-])c1	ZINC000736115014	600056150	/nfs/dbraw/zinc/05/61/50/600056150.db2.gz	UEFLWEAHPXCVKF-UHFFFAOYSA-N	-1	0	297.310	3.724	20	30		CHEDRM
CCCCCCCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000131977503	600217587	/nfs/dbraw/zinc/21/75/87/600217587.db2.gz	AFGRMXMWQVJYPQ-CQSZACIVSA-N	-1	0	289.375	3.562	20	30		CHEDRM
CN(Cc1ccc(Nc2cccc(F)c2C#N)cc1)C(=O)[O-]	ZINC000737486207	600313178	/nfs/dbraw/zinc/31/31/78/600313178.db2.gz	RJTIIAKWGNBYIV-UHFFFAOYSA-N	-1	0	299.305	3.551	20	30		CHEDRM
CC[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)[O-]	ZINC000022865127	600402432	/nfs/dbraw/zinc/40/24/32/600402432.db2.gz	YQPWSCLKMOBFJX-CQSZACIVSA-N	-1	0	298.367	3.576	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1C	ZINC000734305347	600566800	/nfs/dbraw/zinc/56/68/00/600566800.db2.gz	RGOPKXKWKPZNRG-FLIBITNWSA-N	-1	0	280.323	3.898	20	30		CHEDRM
CC(C)c1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000736515082	600590030	/nfs/dbraw/zinc/59/00/30/600590030.db2.gz	FUPNJOSIMXVMTE-QGZVFWFLSA-N	-1	0	294.354	3.919	20	30		CHEDRM
C[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827773586	600740419	/nfs/dbraw/zinc/74/04/19/600740419.db2.gz	RGBIPNRNOATXJD-LLVKDONJSA-N	-1	0	281.315	3.821	20	30		CHEDRM
CC(C)(C(=O)[O-])c1ccc(Nc2cccc(F)c2C#N)cc1	ZINC000826126755	600817643	/nfs/dbraw/zinc/81/76/43/600817643.db2.gz	HOIHDGKGBYJVGP-UHFFFAOYSA-N	-1	0	298.317	3.803	20	30		CHEDRM
Cc1oc(C(=O)[O-])cc1CSc1ccc(C#N)cc1F	ZINC000738966143	600987040	/nfs/dbraw/zinc/98/70/40/600987040.db2.gz	QPCRMWTYLXFXBR-UHFFFAOYSA-N	-1	0	291.303	3.589	20	30		CHEDRM
CSc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832789594	601297727	/nfs/dbraw/zinc/29/77/27/601297727.db2.gz	AACPFHUVOOFECO-OAHLLOKOSA-N	-1	0	298.367	3.518	20	30		CHEDRM
CC(C)c1ccc([C@H](C)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1	ZINC000827117611	601337216	/nfs/dbraw/zinc/33/72/16/601337216.db2.gz	DYOBQOZNFIWMFR-LBPRGKRZSA-N	-1	0	299.374	3.521	20	30		CHEDRM
N#Cc1cc(Cl)ccc1SCc1ccoc1C(=O)[O-]	ZINC000833068664	601547697	/nfs/dbraw/zinc/54/76/97/601547697.db2.gz	IOJXINGMJIZCRX-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc3ccccc3c2)c[nH]1	ZINC000833092264	601791630	/nfs/dbraw/zinc/79/16/30/601791630.db2.gz	ABYDALVKUWDDKY-VMPITWQZSA-N	-1	0	291.306	3.762	20	30		CHEDRM
CC(C)(C#N)CCCNc1ccc(F)c(NC(=O)[O-])c1	ZINC000826070570	601906737	/nfs/dbraw/zinc/90/67/37/601906737.db2.gz	BCRIJMAVXRNVGN-UHFFFAOYSA-N	-1	0	279.315	3.657	20	30		CHEDRM
CCC(CC)CN(CCC#N)Cc1ccc(C(=O)[O-])s1	ZINC000828859249	601960088	/nfs/dbraw/zinc/96/00/88/601960088.db2.gz	XCZQCKVBZSMNSN-UHFFFAOYSA-N	-1	0	294.420	3.598	20	30		CHEDRM
N#Cc1ccc(SCc2ccoc2C(=O)[O-])c(Cl)c1	ZINC000833073622	602021285	/nfs/dbraw/zinc/02/12/85/602021285.db2.gz	FSFNEBBLRHYRKC-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
C=CCC(CC=C)C(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000825659806	602164333	/nfs/dbraw/zinc/16/43/33/602164333.db2.gz	GNDDEILLCLJAJG-UHFFFAOYSA-N	-1	0	287.359	3.506	20	30		CHEDRM
CCCCCCCCC(=O)N(C)c1ncc(C(=O)[O-])s1	ZINC000829357703	602331559	/nfs/dbraw/zinc/33/15/59/602331559.db2.gz	UUNMYJQVVBBGDV-UHFFFAOYSA-N	-1	0	298.408	3.555	20	30		CHEDRM
CC(N=Nc1ccccc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814684461	604632735	/nfs/dbraw/zinc/63/27/35/604632735.db2.gz	USQAEBBPBUANHG-LBPRGKRZSA-N	-1	0	262.353	3.756	20	30		CHEDRM
CC(=NN[C@@H](C)c1ccccc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814815178	604637647	/nfs/dbraw/zinc/63/76/47/604637647.db2.gz	PFVUTHYTVJXFET-HIFRSBDPSA-N	-1	0	290.407	3.994	20	30		CHEDRM
CC(C)(C)C1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763369724	604668488	/nfs/dbraw/zinc/66/84/88/604668488.db2.gz	JKXQMYAGKYNSAE-UHFFFAOYSA-N	-1	0	289.379	3.784	20	30		CHEDRM
C=C(C)COc1cccc(NCc2ccc(C(=O)[O-])cc2)c1	ZINC000833369722	604776812	/nfs/dbraw/zinc/77/68/12/604776812.db2.gz	CCLXVDFNKIQOKZ-UHFFFAOYSA-N	-1	0	297.354	3.952	20	30		CHEDRM
C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccccc2C(=O)[O-])o1	ZINC000812446214	605098769	/nfs/dbraw/zinc/09/87/69/605098769.db2.gz	SFLYTVXMWAJFIH-MFKMUULPSA-N	-1	0	284.315	3.547	20	30		CHEDRM
C[C@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000833526861	605208614	/nfs/dbraw/zinc/20/86/14/605208614.db2.gz	WJLRRIOKCNSJRM-LBPRGKRZSA-N	-1	0	295.342	3.846	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588451220	958407736	/nfs/dbraw/zinc/40/77/36/958407736.db2.gz	PPIVSMHXSCNNCZ-QMMMGPOBSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C#CCC1(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CCCCC1	ZINC001573303040	962667873	/nfs/dbraw/zinc/66/78/73/962667873.db2.gz	JMCZZHCLZPGMCH-UHFFFAOYSA-N	-1	0	299.370	3.606	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1	ZINC001573325168	962794833	/nfs/dbraw/zinc/79/48/33/962794833.db2.gz	FUNIBJRMCUQAKM-UHFFFAOYSA-N	-1	0	295.338	3.599	20	30		CHEDRM
C=CC[C@H](S[C@@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001573352383	962985056	/nfs/dbraw/zinc/98/50/56/962985056.db2.gz	BDLQSKWHKXAYSN-GWCFXTLKSA-N	-1	0	266.362	3.519	20	30		CHEDRM
CCCCCCCCCC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000398833419	968280303	/nfs/dbraw/zinc/28/03/03/968280303.db2.gz	IDWGQJOJVBDBFI-HUUCEWRRSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000393751083	972635087	/nfs/dbraw/zinc/63/50/87/972635087.db2.gz	VSDBXXCVWICZLZ-VIFPVBQESA-N	-1	0	296.754	3.514	20	30		CHEDRM
C=CCN(Cc1cccs1)Cc1cc(C(=O)[O-])oc1C	ZINC000565104994	974570863	/nfs/dbraw/zinc/57/08/63/974570863.db2.gz	PYFNOWGGUXLRGO-UHFFFAOYSA-N	-1	0	291.372	3.536	20	30		CHEDRM
CC(CC(C)(C)CC(=O)[O-])N=Nc1ccc2ccccc2n1	ZINC001592444080	978100409	/nfs/dbraw/zinc/10/04/09/978100409.db2.gz	IYUGTFAQKPAMQQ-UHFFFAOYSA-N	-1	0	299.374	3.914	20	30		CHEDRM
CC(CC(F)(F)F)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001592451675	978138084	/nfs/dbraw/zinc/13/80/84/978138084.db2.gz	FMYFSEIBMUUKJD-UHFFFAOYSA-N	-1	0	294.660	3.778	20	30		CHEDRM
C[C@H](CCC#N)CNc1cc2ccccc2c(C(=O)[O-])c1	ZINC001592470271	978219514	/nfs/dbraw/zinc/21/95/14/978219514.db2.gz	GSOFJCCVNRDMQX-GFCCVEGCSA-N	-1	0	282.343	3.890	20	30		CHEDRM
CCC(Cc1ccc(C)cc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763370154	978721856	/nfs/dbraw/zinc/72/18/56/978721856.db2.gz	LOUKPCJTVZWFEJ-UHFFFAOYSA-N	-1	0	297.358	3.509	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccc(C(F)F)cc2)c1	ZINC000794452002	978812706	/nfs/dbraw/zinc/81/27/06/978812706.db2.gz	LRVYAMRWCRDXEY-UHFFFAOYSA-N	-1	0	290.269	3.768	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H](c3ccccc3)C2)nc1	ZINC000814890612	978896528	/nfs/dbraw/zinc/89/65/28/978896528.db2.gz	ULBRPJKOEMOHFF-CYBMUJFWSA-N	-1	0	295.342	3.515	20	30		CHEDRM
C=CC[C@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000844600704	979396517	/nfs/dbraw/zinc/39/65/17/979396517.db2.gz	OCZNTYKFTDTTIG-JTQLQIEISA-N	-1	0	276.311	3.668	20	30		CHEDRM
Cc1c(N=NC2CCC[C@H]2CCF)cccc1C(=O)[O-]	ZINC000844622216	979397837	/nfs/dbraw/zinc/39/78/37/979397837.db2.gz	ACTUQVQWXGEDDC-NSHDSACASA-N	-1	0	278.327	3.621	20	30		CHEDRM
CC(C)[C@@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848416063	979468526	/nfs/dbraw/zinc/46/85/26/979468526.db2.gz	XOTOVWZXWVZRNE-AWEZNQCLSA-N	-1	0	274.364	3.538	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(F)c(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000863179133	979659417	/nfs/dbraw/zinc/65/94/17/979659417.db2.gz	PNXHOIQYUIADHW-IUCAKERBSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000908682951	981338749	/nfs/dbraw/zinc/33/87/49/981338749.db2.gz	APPRLIGRFNCYSN-CQSZACIVSA-N	-1	0	281.739	3.579	20	30		CHEDRM
CCCC[C@H](SCc1ccc(F)cc1C#N)C(=O)[O-]	ZINC001595656870	982057116	/nfs/dbraw/zinc/05/71/16/982057116.db2.gz	FASVZEJPPFMZBY-ZDUSSCGKSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCCCCCCNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001595704263	982272207	/nfs/dbraw/zinc/27/22/07/982272207.db2.gz	AVNMFXDXUFIANF-UHFFFAOYSA-N	-1	0	291.391	3.784	20	30		CHEDRM
CCCCCCCn1nc(C(=O)[O-])c(Cl)c1C	ZINC001595708840	982288204	/nfs/dbraw/zinc/28/82/04/982288204.db2.gz	IPUJBGDOXGLIKE-UHFFFAOYSA-N	-1	0	258.749	3.514	20	30		CHEDRM
C=C1CCC(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1	ZINC000911388413	982412922	/nfs/dbraw/zinc/41/29/22/982412922.db2.gz	YBRRWNNMHKTQSM-UHFFFAOYSA-N	-1	0	298.342	3.551	20	30		CHEDRM
C#Cc1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1	ZINC001588516918	983562993	/nfs/dbraw/zinc/56/29/93/983562993.db2.gz	HSBJPULHROMKPZ-UHFFFAOYSA-N	-1	0	279.339	3.595	20	30		CHEDRM
C#Cc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c(Cl)c1	ZINC001588517898	983567064	/nfs/dbraw/zinc/56/70/64/983567064.db2.gz	JABDVCWCAJQHGR-MPKXVKKWSA-N	-1	0	291.778	3.623	20	30		CHEDRM
C=C(C)C[C@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-]	ZINC001588540484	983604069	/nfs/dbraw/zinc/60/40/69/983604069.db2.gz	HNGFQHFWEJXKFE-AWEZNQCLSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC001588692986	983889352	/nfs/dbraw/zinc/88/93/52/983889352.db2.gz	OKJVJUQHFKNWGO-SNVBAGLBSA-N	-1	0	281.377	3.604	20	30		CHEDRM
C=CC[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001588731226	984007413	/nfs/dbraw/zinc/00/74/13/984007413.db2.gz	FPYHCWUMOSAAKU-MRXNPFEDSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C=CC[C@@H](SCc1ccccc1Cl)C(=O)[O-]	ZINC001588758726	984107418	/nfs/dbraw/zinc/10/74/18/984107418.db2.gz	IYADEXFADDCGMV-LLVKDONJSA-N	-1	0	256.754	3.603	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])s2)CCCCC1	ZINC001588764508	984122009	/nfs/dbraw/zinc/12/20/09/984122009.db2.gz	BZDLJUTVXZYNIH-UHFFFAOYSA-N	-1	0	293.388	3.911	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])cs2)CCCCC1	ZINC001588764641	984122836	/nfs/dbraw/zinc/12/28/36/984122836.db2.gz	FMVXSUIMJFVHIJ-UHFFFAOYSA-N	-1	0	293.388	3.911	20	30		CHEDRM
C=CC[C@@H]1CC[C@@H](Nc2cc(C)cc(C(=O)[O-])c2)C1	ZINC001588771001	984137551	/nfs/dbraw/zinc/13/75/51/984137551.db2.gz	LEIJYCAPSNMCEL-TZMCWYRMSA-N	-1	0	259.349	3.850	20	30		CHEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)C1CCCCC1)C(=O)[O-]	ZINC001588786601	984183727	/nfs/dbraw/zinc/18/37/27/984183727.db2.gz	QCJKVGAVCZUWLV-CQSZACIVSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=CCCCCCCNC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001588798350	984235571	/nfs/dbraw/zinc/23/55/71/984235571.db2.gz	BUYIBYVHPHLYDW-UHFFFAOYSA-N	-1	0	289.375	3.560	20	30		CHEDRM
C=CCCCCOc1ccc(C(=O)[O-])cc1Br	ZINC001588802773	984251403	/nfs/dbraw/zinc/25/14/03/984251403.db2.gz	ZAVDUGALEHCXDD-UHFFFAOYSA-N	-1	0	299.164	3.882	20	30		CHEDRM
C[C@H](C(=O)[O-])c1cccc(NCCCC(C)(C)C#N)c1	ZINC001589532714	987217524	/nfs/dbraw/zinc/21/75/24/987217524.db2.gz	VAIAYEPLXUSSQW-LBPRGKRZSA-N	-1	0	274.364	3.617	20	30		CHEDRM
CC(C)(C)ON=C1CCC[C@H](CCCC(=O)[O-])C1	ZINC001590399152	989934350	/nfs/dbraw/zinc/93/43/50/989934350.db2.gz	XSNJNCFCUAVIAV-LLVKDONJSA-N	-1	0	255.358	3.603	20	30		CHEDRM
CN(CCCCC1(C#N)CCC1)c1ccccc1C(=O)[O-]	ZINC001598475817	992074679	/nfs/dbraw/zinc/07/46/79/992074679.db2.gz	MDWYHVQABSLPEK-UHFFFAOYSA-N	-1	0	286.375	3.685	20	30		CHEDRM
CC1(CNN=Cc2cc(C(=O)[O-])ccc2Cl)CCCC1	ZINC001594027273	997572821	/nfs/dbraw/zinc/57/28/21/997572821.db2.gz	DDCMVUWYDJOAEP-UHFFFAOYSA-N	-1	0	294.782	3.542	20	30		CHEDRM
Cc1c(N=NC[C@H](C)C(C)(C)C)cccc1C(=O)[O-]	ZINC000844622605	1131586322	/nfs/dbraw/zinc/58/63/22/1131586322.db2.gz	HFQGSKSJJGBUAY-JTQLQIEISA-N	-1	0	262.353	3.773	20	30		CHEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC000835009394	1131753402	/nfs/dbraw/zinc/75/34/02/1131753402.db2.gz	RWENZRYQYSZYSA-VIFPVBQESA-N	-1	0	266.316	3.604	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1n[n-]c(=O)cc1Cl	ZINC001233589134	1132643934	/nfs/dbraw/zinc/64/39/34/1132643934.db2.gz	IRJQQCOYABADNQ-NHCYSSNCSA-N	-1	0	282.771	3.595	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C)c1	ZINC001174013743	1132680597	/nfs/dbraw/zinc/68/05/97/1132680597.db2.gz	FWWDTQPMYSLAIG-UHFFFAOYSA-N	-1	0	256.280	3.763	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2csc(C(=O)[O-])c2)cc1	ZINC001206284027	1133682981	/nfs/dbraw/zinc/68/29/81/1133682981.db2.gz	REVGJWSXZHNCMF-UHFFFAOYSA-N	-1	0	271.341	3.914	20	30		CHEDRM
Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1C#N	ZINC001211967215	1125537546	/nfs/dbraw/zinc/53/75/46/1125537546.db2.gz	WRLBAAHVLGDGIV-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
C#C[C@@H](CCC)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000790098276	1130290937	/nfs/dbraw/zinc/29/09/37/1130290937.db2.gz	FYWKIWHUIMGIAC-AXLKIAQESA-N	-1	0	270.159	3.920	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000905044698	1126887540	/nfs/dbraw/zinc/88/75/40/1126887540.db2.gz	XMYBBAQWJBUPAM-UHFFFAOYSA-N	-1	0	293.388	3.648	20	30		CHEDRM
[O-]c1c(Cl)cccc1C=NOC1CCCCC1	ZINC000777457593	1126941622	/nfs/dbraw/zinc/94/16/22/1126941622.db2.gz	XRHGZMWTMABEDX-UHFFFAOYSA-N	-1	0	253.729	3.729	20	30		CHEDRM
C=C1CCC(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CC1	ZINC000909831676	1127039727	/nfs/dbraw/zinc/03/97/27/1127039727.db2.gz	QHBKKSFOOILDAU-LBPRGKRZSA-N	-1	0	287.359	3.560	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CCC1	ZINC000359781812	1127477665	/nfs/dbraw/zinc/47/76/65/1127477665.db2.gz	FQFZYOUSNUWDAL-UHFFFAOYSA-N	-1	0	283.730	3.870	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)o1	ZINC000361519869	1127568967	/nfs/dbraw/zinc/56/89/67/1127568967.db2.gz	QQUULVNZLPUKPM-MRXNPFEDSA-N	-1	0	290.322	3.935	20	30		CHEDRM
CCC[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C(C)(C)C	ZINC001233915376	1128065542	/nfs/dbraw/zinc/06/55/42/1128065542.db2.gz	KKQWJGUNVSGKKX-GFCCVEGCSA-N	-1	0	262.353	3.561	20	30		CHEDRM
O=C1c2ccccc2CC/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000176379038	1128073617	/nfs/dbraw/zinc/07/36/17/1128073617.db2.gz	XXYDRUSHJPLMQR-FMIVXFBMSA-N	-1	0	295.294	3.513	20	30		CHEDRM
Cc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)s1	ZINC000915988698	1128401882	/nfs/dbraw/zinc/40/18/82/1128401882.db2.gz	BYRUDGPOBXFKDA-QPEQYQDCSA-N	-1	0	272.325	3.687	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(C)ccc1F	ZINC000763359579	1128409934	/nfs/dbraw/zinc/40/99/34/1128409934.db2.gz	QNWYPTWUZJVKLK-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccc3ccccc3c2)cc1	ZINC000916240371	1128412406	/nfs/dbraw/zinc/41/24/06/1128412406.db2.gz	AIFGBVDKUDZQES-UHFFFAOYSA-N	-1	0	290.322	3.984	20	30		CHEDRM
Cc1cc(C)c(C=NNc2cccc(C(=O)[O-])c2)cc1C	ZINC000916255090	1128412498	/nfs/dbraw/zinc/41/24/98/1128412498.db2.gz	AHTNCTGAMQBLMN-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
N#CCc1ccccc1-c1c(F)cc(F)c([O-])c1F	ZINC001235999052	1128452341	/nfs/dbraw/zinc/45/23/41/1128452341.db2.gz	WARRSTYRTPMUAJ-UHFFFAOYSA-N	-1	0	263.218	3.543	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2C)n1	ZINC000129986486	1128560484	/nfs/dbraw/zinc/56/04/84/1128560484.db2.gz	FVUFYTOIBAXTPL-LBPRGKRZSA-N	-1	0	290.775	3.903	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000041546267	1128547290	/nfs/dbraw/zinc/54/72/90/1128547290.db2.gz	ABFZFUPRSTXVMS-SNVBAGLBSA-N	-1	0	282.324	3.688	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000573350816	1128653897	/nfs/dbraw/zinc/65/38/97/1128653897.db2.gz	REBOFALXERGIGA-UHFFFAOYSA-N	-1	0	283.730	3.892	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Cl)cc2)c1	ZINC000920943496	1128695591	/nfs/dbraw/zinc/69/55/91/1128695591.db2.gz	LUZABLAFDCGVCV-SXGWCWSVSA-N	-1	0	290.706	3.573	20	30		CHEDRM
CC(C)Oc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000921252097	1128704958	/nfs/dbraw/zinc/70/49/58/1128704958.db2.gz	CKYWLNFNXPWANR-UHFFFAOYSA-N	-1	0	298.342	3.618	20	30		CHEDRM
O=C1c2ccc(F)cc2C/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000175326867	1128725133	/nfs/dbraw/zinc/72/51/33/1128725133.db2.gz	PWBKPNZAADLQTA-KMKOMSMNSA-N	-1	0	290.240	3.632	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)o1	ZINC000048853260	1128732453	/nfs/dbraw/zinc/73/24/53/1128732453.db2.gz	VJCLYNKVESSCKI-ZDUSSCGKSA-N	-1	0	276.295	3.626	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCCC2)n1	ZINC000254955492	1117916252	/nfs/dbraw/zinc/91/62/52/1117916252.db2.gz	MTYCSUMKGLMSFU-MEJMFZKBSA-N	-1	0	274.389	3.764	20	30		CHEDRM
COc1ccsc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000764442351	1118092351	/nfs/dbraw/zinc/09/23/51/1118092351.db2.gz	OXVWMBQLQRXJSF-IHWYPQMZSA-N	-1	0	296.294	3.637	20	30		CHEDRM
CC(=NNc1cc(C)ccc1F)c1cccc(C(=O)[O-])c1	ZINC000764697235	1118108182	/nfs/dbraw/zinc/10/81/82/1118108182.db2.gz	WPKJNRPYBLOGDY-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
CC(CCc1ccsc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000764892262	1118123919	/nfs/dbraw/zinc/12/39/19/1118123919.db2.gz	USVHOAQSNULGCA-UHFFFAOYSA-N	-1	0	288.372	3.867	20	30		CHEDRM
O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1ccccc1[O-]	ZINC000255060678	1118172268	/nfs/dbraw/zinc/17/22/68/1118172268.db2.gz	RDTAOGQVZQGVIK-SREVYHEPSA-N	-1	0	298.729	3.589	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)ccc1O	ZINC000035326137	1118248022	/nfs/dbraw/zinc/24/80/22/1118248022.db2.gz	MRLJTNKMGCGZFZ-UXBLZVDNSA-N	-1	0	281.355	3.663	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1cc([O-])c(Cl)cc1F	ZINC001210555272	1118325467	/nfs/dbraw/zinc/32/54/67/1118325467.db2.gz	WQTOTGARRCGADI-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CNc1ccc(C#N)cc1Nc1cccc([S-])c1	ZINC001210949459	1118430347	/nfs/dbraw/zinc/43/03/47/1118430347.db2.gz	FIXAUVZVGHCECC-UHFFFAOYSA-N	-1	0	255.346	3.632	20	30		CHEDRM
O=C(/C=C/c1cc(Cl)c([O-])cc1Cl)c1cccnc1	ZINC000134355693	1118519224	/nfs/dbraw/zinc/51/92/24/1118519224.db2.gz	SIEGZCHYYYLRJA-ONEGZZNKSA-N	-1	0	294.137	3.990	20	30		CHEDRM
N#Cc1cc(F)c(Nc2cc(F)c(O)cc2F)cc1F	ZINC001215571400	1118528931	/nfs/dbraw/zinc/52/89/31/1118528931.db2.gz	CBHALLWIQBVGON-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1cccnc1	ZINC000255276310	1118542988	/nfs/dbraw/zinc/54/29/88/1118542988.db2.gz	LTINITLVJSPLAZ-IUXPMGMMSA-N	-1	0	281.142	3.713	20	30		CHEDRM
CC1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000835010033	1118764190	/nfs/dbraw/zinc/76/41/90/1118764190.db2.gz	LYRRWVLFMGBCOU-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccncc1	ZINC000022726791	1118822914	/nfs/dbraw/zinc/82/29/14/1118822914.db2.gz	UPABVYHKWCFVAO-CAOOACKPSA-N	-1	0	281.142	3.713	20	30		CHEDRM
COc1cc(C)c(C)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001216377624	1119031438	/nfs/dbraw/zinc/03/14/38/1119031438.db2.gz	ZIDHPKANNZIHLY-UHFFFAOYSA-N	-1	0	286.306	3.772	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCC1CC1	ZINC000743044240	1119211655	/nfs/dbraw/zinc/21/16/55/1119211655.db2.gz	HMMLFHSDCKEYKR-CHHVJCJISA-N	-1	0	258.148	3.918	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000023164412	1119287835	/nfs/dbraw/zinc/28/78/35/1119287835.db2.gz	WCCIPHRAUDVWDB-FNORWQNLSA-N	-1	0	283.283	3.505	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211602073	1119430677	/nfs/dbraw/zinc/43/06/77/1119430677.db2.gz	XUZYKSMMJDLVOO-UHFFFAOYSA-N	-1	0	280.327	3.871	20	30		CHEDRM
C[C@H](C#N)Oc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588590443	1119490418	/nfs/dbraw/zinc/49/04/18/1119490418.db2.gz	YHIRWDCVKMRDCR-MEQVVJDKSA-N	-1	0	299.351	3.641	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1onc(C(C)(C)C)c1C#N	ZINC001211618928	1119533319	/nfs/dbraw/zinc/53/33/19/1119533319.db2.gz	YGEQEQDXLLISQE-UHFFFAOYSA-N	-1	0	299.330	3.594	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(F)cc(C#N)cc1F	ZINC001211624948	1119616813	/nfs/dbraw/zinc/61/68/13/1119616813.db2.gz	YJCOOMQSCRMSHK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)c(F)cc1C#N	ZINC001211626740	1119636259	/nfs/dbraw/zinc/63/62/59/1119636259.db2.gz	VAGOHWWEXHBYNG-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)c(C#N)c(F)c1	ZINC001211626731	1119636345	/nfs/dbraw/zinc/63/63/45/1119636345.db2.gz	UMLODSBGCIKODI-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])cc1C	ZINC001211626772	1119637122	/nfs/dbraw/zinc/63/71/22/1119637122.db2.gz	WMRCHNKSJPGKJR-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1ccccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647371445	1119698561	/nfs/dbraw/zinc/69/85/61/1119698561.db2.gz	QORPOVMCXFRGGW-CYBMUJFWSA-N	-1	0	282.368	3.819	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nc1C	ZINC000647380206	1119712594	/nfs/dbraw/zinc/71/25/94/1119712594.db2.gz	UNQUOZQVDYQTGL-GFCCVEGCSA-N	-1	0	297.383	3.522	20	30		CHEDRM
O=C(/C=C\c1ccc(F)cc1F)c1ccc([O-])c(F)c1	ZINC000255768598	1119743288	/nfs/dbraw/zinc/74/32/88/1119743288.db2.gz	FMYBLWFWWUIVEE-DJWKRKHSSA-N	-1	0	278.229	3.706	20	30		CHEDRM
CSc1ccc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000179734347	1119758637	/nfs/dbraw/zinc/75/86/37/1119758637.db2.gz	UHJZFQJHGKKJNV-UHFFFAOYSA-N	-1	0	298.367	3.547	20	30		CHEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000617781549	1128869898	/nfs/dbraw/zinc/86/98/98/1128869898.db2.gz	PHIYTBYMQWNOEW-JTQLQIEISA-N	-1	0	297.757	3.613	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3cccc(C)c3o2)n1	ZINC000146846113	1120174376	/nfs/dbraw/zinc/17/43/76/1120174376.db2.gz	PWMAYMHSMHKZKD-LBPRGKRZSA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1oc(Nc2ccc(C(=O)[O-])c(C)c2)c(C#N)c1C	ZINC001211650117	1120183335	/nfs/dbraw/zinc/18/33/35/1120183335.db2.gz	PSEDXFYXBDZUEH-UHFFFAOYSA-N	-1	0	270.288	3.518	20	30		CHEDRM
CCCCCCCCC(=O)NCc1ccc(O)c(F)c1	ZINC000078505822	1128942564	/nfs/dbraw/zinc/94/25/64/1128942564.db2.gz	NPZMVECPXMLLRG-UHFFFAOYSA-N	-1	0	281.371	3.898	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1F	ZINC001174985955	1121142278	/nfs/dbraw/zinc/14/22/78/1121142278.db2.gz	HROZVAYOTARLCS-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
CCOc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175093269	1121181752	/nfs/dbraw/zinc/18/17/52/1121181752.db2.gz	MICUNBFHLGHJRT-UHFFFAOYSA-N	-1	0	272.279	3.545	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001175158517	1121187743	/nfs/dbraw/zinc/18/77/43/1121187743.db2.gz	SFAOJVWYTMCLIY-SNVBAGLBSA-N	-1	0	284.290	3.895	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001175158515	1121187958	/nfs/dbraw/zinc/18/79/58/1121187958.db2.gz	SFAOJVWYTMCLIY-JTQLQIEISA-N	-1	0	284.290	3.895	20	30		CHEDRM
CCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001175170872	1121213831	/nfs/dbraw/zinc/21/38/31/1121213831.db2.gz	NGNPARFLXBCMST-UHFFFAOYSA-N	-1	0	286.306	3.854	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175220638	1121228341	/nfs/dbraw/zinc/22/83/41/1121228341.db2.gz	UMDQRXJJQHECCX-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CCOc1ccc(F)c(F)c1Nc1scc([O-])c1C#N	ZINC001175283218	1121252512	/nfs/dbraw/zinc/25/25/12/1121252512.db2.gz	VJYMYCKYILSECS-UHFFFAOYSA-N	-1	0	296.298	3.746	20	30		CHEDRM
CSc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001175289102	1121255819	/nfs/dbraw/zinc/25/58/19/1121255819.db2.gz	OETLDMIWFVPQNQ-UHFFFAOYSA-N	-1	0	262.359	3.791	20	30		CHEDRM
Cc1cc(C)c(Nc2cccc(C(=O)[O-])c2)cc1C#N	ZINC001175334894	1121288395	/nfs/dbraw/zinc/28/83/95/1121288395.db2.gz	NOTWKMMLFBAYIC-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
COc1cc(Cl)cc(Nc2scc([O-])c2C#N)c1	ZINC001176342849	1121601176	/nfs/dbraw/zinc/60/11/76/1121601176.db2.gz	RJWSCDVMHSCNSE-UHFFFAOYSA-N	-1	0	280.736	3.731	20	30		CHEDRM
COc1cc(Cl)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001176345284	1121602381	/nfs/dbraw/zinc/60/23/81/1121602381.db2.gz	DYQNVDDXNUKWOD-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1csc(C(=O)[O-])c1	ZINC001176439268	1121622345	/nfs/dbraw/zinc/62/23/45/1121622345.db2.gz	QHRZEWKCKSGPND-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2csc(C(=O)[O-])c2)c1	ZINC001176439417	1121622871	/nfs/dbraw/zinc/62/28/71/1121622871.db2.gz	VIEPWVZQXIWZLK-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(OCC2CC2)c1	ZINC001176492866	1121639147	/nfs/dbraw/zinc/63/91/47/1121639147.db2.gz	IJGSKGMVWQHNED-UHFFFAOYSA-N	-1	0	286.356	3.858	20	30		CHEDRM
N#CCc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176588197	1121649021	/nfs/dbraw/zinc/64/90/21/1121649021.db2.gz	HNHJIIUPWCMUSL-UHFFFAOYSA-N	-1	0	292.338	3.612	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595053	1121650207	/nfs/dbraw/zinc/65/02/07/1121650207.db2.gz	APCCMPHFWJHAJZ-FPYGCLRLSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176592783	1121650523	/nfs/dbraw/zinc/65/05/23/1121650523.db2.gz	OGRVVUPMSFPFMZ-ZZXKWVIFSA-N	-1	0	282.274	3.539	20	30		CHEDRM
Cc1oc(Nc2c(F)cc(F)c([O-])c2F)c(C#N)c1C	ZINC001176664562	1121671231	/nfs/dbraw/zinc/67/12/31/1121671231.db2.gz	PPSQFAFRLUQIRL-UHFFFAOYSA-N	-1	0	282.221	3.635	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(F)ccc2Cl)c1	ZINC000727972883	1121758779	/nfs/dbraw/zinc/75/87/79/1121758779.db2.gz	JIMLUIZUXHBULZ-UHFFFAOYSA-N	-1	0	294.669	3.844	20	30		CHEDRM
Cc1ccsc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000730149652	1121794434	/nfs/dbraw/zinc/79/44/34/1121794434.db2.gz	YLKVZWOHWHVMPJ-NSCUHMNNSA-N	-1	0	278.354	3.712	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccccc2Cl)cs1	ZINC000730149649	1121795095	/nfs/dbraw/zinc/79/50/95/1121795095.db2.gz	YKDINYAURVORAC-WAYWQWQTSA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c(C)c1	ZINC000730149145	1121795947	/nfs/dbraw/zinc/79/59/47/1121795947.db2.gz	TZCCGUNULXBRFA-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000731159970	1121853278	/nfs/dbraw/zinc/85/32/78/1121853278.db2.gz	ZFDHGFKZRWHTQJ-WAYWQWQTSA-N	-1	0	292.381	3.966	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/CCCc3ccccc3C2=O)c1	ZINC000774107276	1122127892	/nfs/dbraw/zinc/12/78/92/1122127892.db2.gz	XQTWEJWAPITENT-PTNGSMBKSA-N	-1	0	292.334	3.987	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccc(F)c2F)c1	ZINC000774133652	1122132797	/nfs/dbraw/zinc/13/27/97/1122132797.db2.gz	GEMVWRPHXXUSKH-FPLPWBNLSA-N	-1	0	288.249	3.559	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1ccsc1C(=O)[O-]	ZINC001205377556	1122409427	/nfs/dbraw/zinc/40/94/27/1122409427.db2.gz	DTSIVVLODOXAQF-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CCCCCCCCS(=O)(=O)[N-]c1occ(C)c1C#N	ZINC001188001855	1122450224	/nfs/dbraw/zinc/45/02/24/1122450224.db2.gz	SPNIFZMYCQWUFU-UHFFFAOYSA-N	-1	0	298.408	3.562	20	30		CHEDRM
CC(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)c(O)c1	ZINC000436660290	1122570402	/nfs/dbraw/zinc/57/04/02/1122570402.db2.gz	SDXQKNVQRXDGRX-UHFFFAOYSA-N	-1	0	294.354	3.834	20	30		CHEDRM
CCCCCCCOC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001194009317	1122738304	/nfs/dbraw/zinc/73/83/04/1122738304.db2.gz	UYELVBRBPXDHAO-UHFFFAOYSA-N	-1	0	276.336	3.783	20	30		CHEDRM
CCCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000633894766	1129093869	/nfs/dbraw/zinc/09/38/69/1129093869.db2.gz	QVWJQCZNRNXRAE-NSHDSACASA-N	-1	0	290.413	3.956	20	30		CHEDRM
CCCCCCCCCCS(=O)(=O)N[C@@H]1[CH]CC=C1	ZINC001201837539	1123154204	/nfs/dbraw/zinc/15/42/04/1123154204.db2.gz	YXBSIPJSXNHBFA-HNNXBMFYSA-N	-1	0	286.461	3.579	20	30		CHEDRM
Cc1cccc(C)c1NC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001202209870	1123187976	/nfs/dbraw/zinc/18/79/76/1123187976.db2.gz	BFVMZNOJWPBLST-UHFFFAOYSA-N	-1	0	299.305	3.664	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2nc3c(s2)CCCC3)c([O-])c1	ZINC000776264824	1123190173	/nfs/dbraw/zinc/19/01/73/1123190173.db2.gz	JJFYPZUNBYHJOC-CMDGGOBGSA-N	-1	0	299.395	3.932	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2cc(F)cc(Cl)c2)c1	ZINC000776722889	1123478712	/nfs/dbraw/zinc/47/87/12/1123478712.db2.gz	YPQLRDJAGCFIFN-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CSc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041521269	1123591041	/nfs/dbraw/zinc/59/10/41/1123591041.db2.gz	XKACMCFHDQIACO-NSHDSACASA-N	-1	0	288.397	3.664	20	30		CHEDRM
Cc1c(N=NCC(C)(C)C(C)(F)F)cccc1C(=O)[O-]	ZINC000863124282	1123846128	/nfs/dbraw/zinc/84/61/28/1123846128.db2.gz	SVBSNVUSZXAQNL-UHFFFAOYSA-N	-1	0	284.306	3.772	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1cccnc1F	ZINC000794832712	1123969677	/nfs/dbraw/zinc/96/96/77/1123969677.db2.gz	KMMFZMGMZQWOBJ-REZTVBANSA-N	-1	0	299.132	3.852	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccsc1	ZINC000794934858	1124085478	/nfs/dbraw/zinc/08/54/78/1124085478.db2.gz	NTFVRBXFOVSKFA-ONEGZZNKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2cccc(Cl)c2F)cc1	ZINC000759647011	1124093806	/nfs/dbraw/zinc/09/38/06/1124093806.db2.gz	UKAQOBZSLXSRPT-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
N#CCC1CCN(Cc2c(Cl)cc(O)cc2Cl)CC1	ZINC001142115139	1124464477	/nfs/dbraw/zinc/46/44/77/1124464477.db2.gz	YPGAXEVBKOFUPL-UHFFFAOYSA-N	-1	0	299.201	3.825	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2ccc(C(=O)[O-])cc2F)cc1	ZINC001239262063	1131308616	/nfs/dbraw/zinc/30/86/16/1131308616.db2.gz	RTWKPGFRAVOJGM-SNVBAGLBSA-N	-1	0	269.275	3.818	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2oc3ccccc3c2C)n1	ZINC000041521678	1125433257	/nfs/dbraw/zinc/43/32/57/1125433257.db2.gz	BPCRIVYUXCXURL-GFCCVEGCSA-N	-1	0	296.351	3.996	20	30		CHEDRM
C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1	ZINC000041515995	1125433631	/nfs/dbraw/zinc/43/36/31/1125433631.db2.gz	SEBOUWORFVNJAX-CQSZACIVSA-N	-1	0	298.367	3.506	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3cc(C)ccc3o2)n1	ZINC000125061746	1125444015	/nfs/dbraw/zinc/44/40/15/1125444015.db2.gz	VAXIEDFKXYPYDB-LBPRGKRZSA-N	-1	0	296.351	3.996	20	30		CHEDRM
CCN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)C#N	ZINC000091983349	1129376350	/nfs/dbraw/zinc/37/63/50/1129376350.db2.gz	NIDJREKFEHWEEX-VIFPVBQESA-N	-1	0	287.190	3.681	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2cc3cc(F)ccc3o2)c1	ZINC000741759157	1129449902	/nfs/dbraw/zinc/44/99/02/1129449902.db2.gz	GWXJEJSATZWDCH-UHFFFAOYSA-N	-1	0	298.273	3.716	20	30		CHEDRM
Cc1ccccc1CC(C)N=Nc1cccc(C(=O)[O-])c1	ZINC000743418026	1129523721	/nfs/dbraw/zinc/52/37/21/1129523721.db2.gz	TVDPZPZAQXGXQC-UHFFFAOYSA-N	-1	0	282.343	3.724	20	30		CHEDRM
CCOc1cccc(C(C)=NNc2cccc(C(=O)[O-])c2)c1	ZINC000743526340	1129529185	/nfs/dbraw/zinc/52/91/85/1129529185.db2.gz	QTMJSKWAFFRPNQ-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CO[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000745976860	1129621599	/nfs/dbraw/zinc/62/15/99/1129621599.db2.gz	OFZFKXWMFFEVDR-CBIOAZOESA-N	-1	0	290.190	3.789	20	30		CHEDRM
CCN(CC)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001212970790	1129644109	/nfs/dbraw/zinc/64/41/09/1129644109.db2.gz	JJOZMHOANUUQCD-UHFFFAOYSA-N	-1	0	299.349	3.993	20	30		CHEDRM
COc1ccc(C#N)c(Nc2c(Cl)ccc([O-])c2F)c1	ZINC001214561292	1129656727	/nfs/dbraw/zinc/65/67/27/1129656727.db2.gz	DQEOYMLZKGHQJF-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1ccc(F)cc1[O-]	ZINC001242215974	1129684198	/nfs/dbraw/zinc/68/41/98/1129684198.db2.gz	LHELCRQIPYGGPW-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
C[Si](C)(C)C#Cc1ccnc(-c2ccc(F)cc2[O-])c1	ZINC001242217715	1129688173	/nfs/dbraw/zinc/68/81/73/1129688173.db2.gz	TXZZKTVUSUGYQX-UHFFFAOYSA-N	-1	0	285.394	3.822	20	30		CHEDRM
Fc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2)cc1	ZINC000254513385	1129699436	/nfs/dbraw/zinc/69/94/36/1129699436.db2.gz	BOBWVDHJBGAVOY-UHFFFAOYSA-N	-1	0	298.346	3.629	20	30		CHEDRM
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1	ZINC000254792028	1129710721	/nfs/dbraw/zinc/71/07/21/1129710721.db2.gz	BOCOKUYWLYGMCG-UHFFFAOYSA-N	-1	0	294.383	3.798	20	30		CHEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(Cl)c([O-])c1	ZINC001212591290	1129737174	/nfs/dbraw/zinc/73/71/74/1129737174.db2.gz	FCJSDCBGDIUFBN-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1ccc(Cl)c([O-])c1	ZINC001212591474	1129737572	/nfs/dbraw/zinc/73/75/72/1129737572.db2.gz	OGXPYNTWILCITC-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
Cc1cc(Cl)ccc1C=NNc1ccccc1C(=O)[O-]	ZINC000767362325	1129789019	/nfs/dbraw/zinc/78/90/19/1129789019.db2.gz	VVBQDNYTWHQPTJ-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cc2)C[C@@H]1c1ccccc1	ZINC000767733879	1129811814	/nfs/dbraw/zinc/81/18/14/1129811814.db2.gz	HCZXXNVSYMZUMQ-LRDDRELGSA-N	-1	0	294.354	3.976	20	30		CHEDRM
COc1c(F)c(F)c(-c2ccccc2C=N[O-])c(F)c1F	ZINC001242738558	1129990469	/nfs/dbraw/zinc/99/04/69/1129990469.db2.gz	UFCAZSZYJGCRPB-UHFFFAOYSA-N	-1	0	299.223	3.727	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1	ZINC000802892063	1130060193	/nfs/dbraw/zinc/06/01/93/1130060193.db2.gz	YVQTVLJFLIFXFH-SOUVJXGZSA-N	-1	0	298.386	3.809	20	30		CHEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1	ZINC000746684998	1130151581	/nfs/dbraw/zinc/15/15/81/1130151581.db2.gz	WSQWIYKITXJJBI-KBXRYBNXSA-N	-1	0	292.334	3.766	20	30		CHEDRM
CC(C)C(CN=Nc1ccccc1C(=O)[O-])C(C)C	ZINC000788981191	1130225073	/nfs/dbraw/zinc/22/50/73/1130225073.db2.gz	QXQPXJOVKUCTBL-UHFFFAOYSA-N	-1	0	262.353	3.711	20	30		CHEDRM
Cc1cc(/C=C2\Cc3cc(O)ccc3C2=O)ccc1F	ZINC000780188487	1130234263	/nfs/dbraw/zinc/23/42/63/1130234263.db2.gz	SFOQLCBPNKQYSE-NTUHNPAUSA-N	-1	0	268.287	3.662	20	30		CHEDRM
CC(C)=CCCC(C)N=Nc1ccccc1C(=O)[O-]	ZINC000749158811	1130269311	/nfs/dbraw/zinc/26/93/11/1130269311.db2.gz	SHYWOMANPWTYQP-UHFFFAOYSA-N	-1	0	260.337	3.919	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240548692	1130351172	/nfs/dbraw/zinc/35/11/72/1130351172.db2.gz	WGOOCLQMYOAEIZ-RMKNXTFCSA-N	-1	0	292.338	3.841	20	30		CHEDRM
O=C([O-])/C=C/c1cccc(-c2cccc(CS)c2)c1	ZINC001240550941	1130353281	/nfs/dbraw/zinc/35/32/81/1130353281.db2.gz	MMZNFNDITGRSPI-BQYQJAHWSA-N	-1	0	270.353	3.881	20	30		CHEDRM
N#Cc1ccc2ccnc(-c3cc(F)ccc3[O-])c2c1	ZINC001240693282	1130421316	/nfs/dbraw/zinc/42/13/16/1130421316.db2.gz	KZQLBMOPIPACET-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
Cc1c(C#N)c(-c2cc(F)ccc2[O-])nc2ccccc12	ZINC001240696007	1130422742	/nfs/dbraw/zinc/42/27/42/1130422742.db2.gz	WAKBXZFWCODNSA-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
C=CCOCc1cccc(-c2ccc(C(=O)[O-])cc2OC)c1	ZINC001240736124	1130446569	/nfs/dbraw/zinc/44/65/69/1130446569.db2.gz	LQGSTZRDWQJJPA-UHFFFAOYSA-N	-1	0	298.338	3.763	20	30		CHEDRM
O=C(/C=C/c1cncc2ccccc12)c1ccc(F)cc1[O-]	ZINC000772799357	1130454273	/nfs/dbraw/zinc/45/42/73/1130454273.db2.gz	BSHVVKXYAHFIJR-VMPITWQZSA-N	-1	0	293.297	3.976	20	30		CHEDRM
C=C(C)c1ccc(-c2ccc(C(=O)[O-])c(F)c2F)nc1	ZINC001243511290	1130524410	/nfs/dbraw/zinc/52/44/10/1130524410.db2.gz	BKLRDWYVVDOFSC-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc(C#N)c2ccccc21	ZINC001240999732	1130557191	/nfs/dbraw/zinc/55/71/91/1130557191.db2.gz	UKVYHTOQZSXYGY-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(F)ccc1CC#N	ZINC001241001325	1130558493	/nfs/dbraw/zinc/55/84/93/1130558493.db2.gz	XLTFBQAZEVTRDB-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(CS)c1	ZINC001241003783	1130560789	/nfs/dbraw/zinc/56/07/89/1130560789.db2.gz	YLDZGGSBFGBHJI-UHFFFAOYSA-N	-1	0	258.342	3.790	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2nc(C#N)ccc2c1	ZINC001241003382	1130560642	/nfs/dbraw/zinc/56/06/42/1130560642.db2.gz	PNPOSZVILTXZHT-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NNCc2ccccc2)cc1Cl	ZINC000758095377	1130597066	/nfs/dbraw/zinc/59/70/66/1130597066.db2.gz	JSGZNNHMTBNVCV-UHFFFAOYSA-N	-1	0	295.169	3.823	20	30		CHEDRM
CC(C)[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000747736302	1130635539	/nfs/dbraw/zinc/63/55/39/1130635539.db2.gz	OGUYOUDVCLIWKZ-CYBMUJFWSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C=CC[C@@H](C)Oc1ccc2[n-]c(=S)sc2c1	ZINC001234427185	1130643674	/nfs/dbraw/zinc/64/36/74/1130643674.db2.gz	RTVFFOPMMAIVKU-MRVPVSSYSA-N	-1	0	251.376	3.928	20	30		CHEDRM
CC[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759712935	1130671610	/nfs/dbraw/zinc/67/16/10/1130671610.db2.gz	CHLGVQLTCQVWNW-CQSZACIVSA-N	-1	0	286.375	3.809	20	30		CHEDRM
C=CC[C@@H](CCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234813022	1130678289	/nfs/dbraw/zinc/67/82/89/1130678289.db2.gz	DGZVJQSFOPHRAJ-ZDUSSCGKSA-N	-1	0	288.343	3.931	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1ccccc1C#N	ZINC001234818690	1130678893	/nfs/dbraw/zinc/67/88/93/1130678893.db2.gz	CRSQRECJPZXENJ-GFCCVEGCSA-N	-1	0	266.300	3.506	20	30		CHEDRM
C=CC[C@@H](Oc1cc([O-])cc2oc(C)cc(=O)c12)C(C)C	ZINC001234819677	1130678966	/nfs/dbraw/zinc/67/89/66/1130678966.db2.gz	MZYGDHRRYBHQRX-CQSZACIVSA-N	-1	0	288.343	3.787	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1ccc(F)c(F)c1	ZINC001234820220	1130679066	/nfs/dbraw/zinc/67/90/66/1130679066.db2.gz	SCTSDRKWEBCXME-JTQLQIEISA-N	-1	0	277.270	3.913	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1c(F)cccc1F	ZINC001234823737	1130679783	/nfs/dbraw/zinc/67/97/83/1130679783.db2.gz	XUGHVBSJUPRRRD-JTQLQIEISA-N	-1	0	277.270	3.913	20	30		CHEDRM
Cc1ccc(C)c(C(C)N=Nc2ccccc2C(=O)[O-])c1	ZINC000812444263	1130691204	/nfs/dbraw/zinc/69/12/04/1130691204.db2.gz	BKJCFLHXCGHHRO-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3ccc(/C=C/C(=O)[O-])cc3)ccc12	ZINC001235532359	1130752193	/nfs/dbraw/zinc/75/21/93/1130752193.db2.gz	TUNYAADTRWIICT-FPYGCLRLSA-N	-1	0	288.306	3.804	20	30		CHEDRM
O=C([O-])/C=C/c1ccc(-c2ccccc2CS)cc1	ZINC001235623550	1130759072	/nfs/dbraw/zinc/75/90/72/1130759072.db2.gz	RKRNNNJLPQOXBF-JXMROGBWSA-N	-1	0	270.353	3.881	20	30		CHEDRM
Cc1ccc2c(c1)C/C(=C\c1cc(C(=O)[O-])cs1)C2=O	ZINC000782199174	1130762182	/nfs/dbraw/zinc/76/21/82/1130762182.db2.gz	CNNSUCUYLFWNAW-IZZDOVSWSA-N	-1	0	284.336	3.577	20	30		CHEDRM
Cc1nc(-c2c(F)cc(F)c([O-])c2F)c(C#N)c(C)c1C	ZINC001235991937	1130824397	/nfs/dbraw/zinc/82/43/97/1130824397.db2.gz	FGTVRPHPIGLFQC-UHFFFAOYSA-N	-1	0	292.260	3.668	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1ccc(C(=O)[O-])cc1	ZINC001236064245	1130844553	/nfs/dbraw/zinc/84/45/53/1130844553.db2.gz	CFUGVUOKWNYTAI-UHFFFAOYSA-N	-1	0	289.237	3.525	20	30		CHEDRM
C=CCCCCCOC(=O)c1c(F)cc([O-])cc1F	ZINC000783715358	1130851469	/nfs/dbraw/zinc/85/14/69/1130851469.db2.gz	CXDOCGAILCFCCH-UHFFFAOYSA-N	-1	0	270.275	3.574	20	30		CHEDRM
Cc1c(Cl)c(-c2cccc(/C=N/O)c2)ccc1C(=O)[O-]	ZINC001236128548	1130871816	/nfs/dbraw/zinc/87/18/16/1130871816.db2.gz	OHNPBNLMLQOSRQ-CAOOACKPSA-N	-1	0	289.718	3.822	20	30		CHEDRM
Cc1cccc(NN=Cc2cccc(C(=O)[O-])c2Cl)c1	ZINC000814687178	1130900035	/nfs/dbraw/zinc/90/00/35/1130900035.db2.gz	BBBBDNSIYNGPHA-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
CC(=NOCc1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814791405	1130911383	/nfs/dbraw/zinc/91/13/83/1130911383.db2.gz	GLKINZMDMVAWDS-CABCVRRESA-N	-1	0	289.375	3.716	20	30		CHEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc2ncccc12	ZINC000814804308	1130918933	/nfs/dbraw/zinc/91/89/33/1130918933.db2.gz	JIHDUJWGEZDZPY-NWDGAFQWSA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1ccc(N=NC(C)CCCCCCC(=O)[O-])nc1	ZINC000814831831	1130921009	/nfs/dbraw/zinc/92/10/09/1130921009.db2.gz	SNOKKYYAHJOHGH-UHFFFAOYSA-N	-1	0	277.368	3.603	20	30		CHEDRM
Cc1ccc(F)c(-c2ccc(C#N)c(C(F)(F)F)n2)c1[O-]	ZINC001236391321	1130924932	/nfs/dbraw/zinc/92/49/32/1130924932.db2.gz	IJTYQBPDMRDBHO-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
Cc1ccc(F)c(-c2nccc(C(F)(F)F)c2C#N)c1[O-]	ZINC001236389506	1130925580	/nfs/dbraw/zinc/92/55/80/1130925580.db2.gz	FPZKYGNPDZCVPE-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
C=CCCC(CCC)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000814887679	1130929820	/nfs/dbraw/zinc/92/98/20/1130929820.db2.gz	WHMXEQJUNQGJFE-UHFFFAOYSA-N	-1	0	290.363	3.928	20	30		CHEDRM
CC(=NOCc1ccc(F)cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814903605	1130933009	/nfs/dbraw/zinc/93/30/09/1130933009.db2.gz	RFLDGRLAAAIBQA-GFCCVEGCSA-N	-1	0	295.354	3.999	20	30		CHEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C)C(C)(C)C	ZINC000814937906	1130939872	/nfs/dbraw/zinc/93/98/72/1130939872.db2.gz	RPHKJENXPDWPQJ-SDDRHHMPSA-N	-1	0	282.428	3.524	20	30		CHEDRM
N#Cc1ccc(-c2ccc3oc(=S)[n-]c3c2)c(F)c1	ZINC001236530354	1130966097	/nfs/dbraw/zinc/96/60/97/1130966097.db2.gz	IVEPNAASWAHQKI-UHFFFAOYSA-N	-1	0	270.288	3.794	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1cnc2ccccc2n1	ZINC000816045866	1131044443	/nfs/dbraw/zinc/04/44/43/1131044443.db2.gz	ZJHSQXAIPQLUQM-LBPRGKRZSA-N	-1	0	295.317	3.604	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1cc([O-])c(F)c(F)c1F	ZINC001245639292	1131100690	/nfs/dbraw/zinc/10/06/90/1131100690.db2.gz	SIHOBMUNMAMECG-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
N#CCc1cc(-c2cc(Cl)c([O-])cc2F)ccc1C#N	ZINC001245671000	1131122264	/nfs/dbraw/zinc/12/22/64/1131122264.db2.gz	BHVIGPGJYHFBLR-UHFFFAOYSA-N	-1	0	286.693	3.789	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccccc2)CC2(CCC2)C1	ZINC001144589462	1131662287	/nfs/dbraw/zinc/66/22/87/1131662287.db2.gz	NSYLEAYIUFIVOX-CQSZACIVSA-N	-1	0	285.387	3.511	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	ZINC000846551355	1131713316	/nfs/dbraw/zinc/71/33/16/1131713316.db2.gz	UKBFVOVHXNYHTG-ZIAGYGMSSA-N	-1	0	291.391	3.508	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2C2CCC2)c(F)c1	ZINC000835009592	1131753972	/nfs/dbraw/zinc/75/39/72/1131753972.db2.gz	ZHNSEPHVUWUDJR-NSHDSACASA-N	-1	0	276.311	3.502	20	30		CHEDRM
CC1=C[C@@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835008279	1131754231	/nfs/dbraw/zinc/75/42/31/1131754231.db2.gz	DTPJBZIWCNNBAB-PWSUYJOCSA-N	-1	0	290.338	3.914	20	30		CHEDRM
C[C@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009943	1131754380	/nfs/dbraw/zinc/75/43/80/1131754380.db2.gz	IVSHUSCIRFIULA-WDEREUQCSA-N	-1	0	278.327	3.748	20	30		CHEDRM
N#Cc1ncc(Nc2cc(Cl)ccc2[S-])cc1F	ZINC001203055124	1131845180	/nfs/dbraw/zinc/84/51/80/1131845180.db2.gz	GNMZWYLAAHQVDU-UHFFFAOYSA-N	-1	0	279.727	3.778	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]ncc(=O)c1Cl	ZINC001228390940	1131874839	/nfs/dbraw/zinc/87/48/39/1131874839.db2.gz	QAXZSAZYIWKRCO-JFGNBEQYSA-N	-1	0	282.771	3.595	20	30		CHEDRM
C=CC[C@H](CCCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228972850	1131989455	/nfs/dbraw/zinc/98/94/55/1131989455.db2.gz	DZSAQHQPZAPQAQ-LLVKDONJSA-N	-1	0	281.308	3.520	20	30		CHEDRM
C=C[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229797558	1132119621	/nfs/dbraw/zinc/11/96/21/1132119621.db2.gz	GOHCLGVWYSBGOV-SNVBAGLBSA-N	-1	0	282.295	3.605	20	30		CHEDRM
CCCCCCC[C@@H](CC)n1[n-]c2ccnc(=O)c-2c1N	ZINC001172356214	1132185791	/nfs/dbraw/zinc/18/57/91/1132185791.db2.gz	GTQMBHJSIDEETD-GFCCVEGCSA-N	-1	0	290.411	3.570	20	30		CHEDRM
C=CC[C@@H](C=C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231048094	1132247953	/nfs/dbraw/zinc/24/79/53/1132247953.db2.gz	GEABDFDWAVNAKP-SSDOTTSWSA-N	-1	0	284.146	3.774	20	30		CHEDRM
CO[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000840707875	1132272817	/nfs/dbraw/zinc/27/28/17/1132272817.db2.gz	YXVKFYDALHBONO-CBIOAZOESA-N	-1	0	288.174	3.543	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCCCC2(F)F)c1	ZINC000840707156	1132273321	/nfs/dbraw/zinc/27/33/21/1132273321.db2.gz	OAKIXZCALCDSIZ-FQKVVYMKSA-N	-1	0	298.289	3.545	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC(F)(F)CC2)cc1F	ZINC000842536684	1132440120	/nfs/dbraw/zinc/44/01/20/1132440120.db2.gz	XCJUFMQXLHADTK-UHFFFAOYSA-N	-1	0	286.253	3.501	20	30		CHEDRM
C#C[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232627289	1132498997	/nfs/dbraw/zinc/49/89/97/1132498997.db2.gz	IBUPRBZYIZVVRH-SNVBAGLBSA-N	-1	0	284.186	3.544	20	30		CHEDRM
C=CCCO[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1	ZINC001149445887	1132543354	/nfs/dbraw/zinc/54/33/54/1132543354.db2.gz	SZSGMWOAMWGZOC-UHFFFAOYSA-N	-1	0	293.794	3.776	20	30		CHEDRM
C=CCCO[N-]C(=O)[C@@H](SCc1ccccc1)C(C)C	ZINC001149451696	1132544128	/nfs/dbraw/zinc/54/41/28/1132544128.db2.gz	FGXHJHAPVBOCQL-HNNXBMFYSA-N	-1	0	293.432	3.568	20	30		CHEDRM
N#CCN(Cc1ccccc1)Cc1ccc([S-])cc1	ZINC001233261774	1132591459	/nfs/dbraw/zinc/59/14/59/1132591459.db2.gz	CRNBSABBXUMNME-UHFFFAOYSA-N	-1	0	268.385	3.501	20	30		CHEDRM
Cc1cc(F)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173967660	1132637273	/nfs/dbraw/zinc/63/72/73/1132637273.db2.gz	HEPXUNTWCQPKCE-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
C=CC[C@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1	ZINC001233586312	1132642357	/nfs/dbraw/zinc/64/23/57/1132642357.db2.gz	DUALZIWLLVQEKY-LBPRGKRZSA-N	-1	0	276.723	3.532	20	30		CHEDRM
CCCCC[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C(C)C	ZINC001233919460	1132698861	/nfs/dbraw/zinc/69/88/61/1132698861.db2.gz	RZFQUJOTXYYTOW-CQSZACIVSA-N	-1	0	276.380	3.951	20	30		CHEDRM
COc1ccc(Nc2scc([O-])c2C#N)cc1Cl	ZINC001174152392	1132750569	/nfs/dbraw/zinc/75/05/69/1132750569.db2.gz	SFQKKJGNMPVPMK-UHFFFAOYSA-N	-1	0	280.736	3.731	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F	ZINC001174497018	1132862277	/nfs/dbraw/zinc/86/22/77/1132862277.db2.gz	AKEBPQKYEMETRW-AATRIKPKSA-N	-1	0	296.301	3.847	20	30		CHEDRM
C=C(C)CO[N-]C(=O)C1c2ccccc2Oc2ccccc21	ZINC001164451046	1133219105	/nfs/dbraw/zinc/21/91/05/1133219105.db2.gz	RJAKVTQASPSFAZ-UHFFFAOYSA-N	-1	0	295.338	3.548	20	30		CHEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1	ZINC001164454715	1133220435	/nfs/dbraw/zinc/22/04/35/1133220435.db2.gz	KGCIOMXBEIMHAP-UHFFFAOYSA-N	-1	0	297.345	3.700	20	30		CHEDRM
Cc1cccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1C	ZINC001204656304	1133472309	/nfs/dbraw/zinc/47/23/09/1133472309.db2.gz	JRIOVWYCMGJNHH-UHFFFAOYSA-N	-1	0	293.346	3.556	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1csc(C(=O)[O-])c1	ZINC001206250741	1133676911	/nfs/dbraw/zinc/67/69/11/1133676911.db2.gz	UGRGDLUFCBQZAL-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)ccc2[S-])cn1	ZINC001209568046	1134037040	/nfs/dbraw/zinc/03/70/40/1134037040.db2.gz	ALMRXLCMYOKYEC-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
Cc1cc(C)c(Nc2scc([O-])c2C#N)cc1C	ZINC001209831824	1134073010	/nfs/dbraw/zinc/07/30/10/1134073010.db2.gz	RLVIQTOYACJHNR-UHFFFAOYSA-N	-1	0	258.346	3.994	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210008629	1134121624	/nfs/dbraw/zinc/12/16/24/1134121624.db2.gz	RMUQIOXGDWMDKI-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
C#Cc1cccc(Nc2cc(C(=O)[O-])cc(F)c2C)c1	ZINC001210008908	1134122287	/nfs/dbraw/zinc/12/22/87/1134122287.db2.gz	XEHSHQMJHSXSEZ-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2cccnc2c1	ZINC001210055003	1134137640	/nfs/dbraw/zinc/13/76/40/1134137640.db2.gz	QRVFCSUWDLWLPP-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1cccc(CC(=O)[O-])c1	ZINC001210073941	1134141376	/nfs/dbraw/zinc/14/13/76/1134141376.db2.gz	ZKVMVEXGATVJKR-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1F	ZINC001210240762	1134176123	/nfs/dbraw/zinc/17/61/23/1134176123.db2.gz	GYZHPLBUATWMBQ-UHFFFAOYSA-N	-1	0	284.290	3.702	20	30		CHEDRM
Cc1cc(C)c(Nc2cccc(C(=O)[O-])c2F)cc1C#N	ZINC001210244416	1134177304	/nfs/dbraw/zinc/17/73/04/1134177304.db2.gz	GKDUCFVQLXCZQG-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(OC(F)F)cc1	ZINC001210326552	1134193734	/nfs/dbraw/zinc/19/37/34/1134193734.db2.gz	SJCCQOVPAUWSIG-UHFFFAOYSA-N	-1	0	282.271	3.670	20	30		CHEDRM
N#Cc1cc(Cl)cc([N-]c2nnc(-c3ccco3)o2)c1	ZINC001210536860	1134241681	/nfs/dbraw/zinc/24/16/81/1134241681.db2.gz	WXEJZZDPVOFDCL-UHFFFAOYSA-N	-1	0	286.678	3.598	20	30		CHEDRM
Cc1nc(C#N)c(Nc2cc(Cl)c([O-])c(Cl)c2)o1	ZINC001210927283	1134329026	/nfs/dbraw/zinc/32/90/26/1134329026.db2.gz	SZOKTJWUORLSAT-UHFFFAOYSA-N	-1	0	284.102	3.611	20	30		CHEDRM
N#Cc1ccc2nccc(-c3cc(F)c([O-])cc3F)c2c1	ZINC001211337948	1134410112	/nfs/dbraw/zinc/41/01/12/1134410112.db2.gz	AHMNTFCWCAETET-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
Cc1cc(F)cc(-c2cc(F)c([O-])cc2F)c1C#N	ZINC001211349850	1134411369	/nfs/dbraw/zinc/41/13/69/1134411369.db2.gz	JDEAHQOBKCOIBT-UHFFFAOYSA-N	-1	0	263.218	3.657	20	30		CHEDRM
COCc1ccc(C)c(Nc2scc([O-])c2C#N)c1	ZINC001213571553	1134463518	/nfs/dbraw/zinc/46/35/18/1134463518.db2.gz	GANKSSNOBPOQKR-UHFFFAOYSA-N	-1	0	274.345	3.524	20	30		CHEDRM
Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1C#N	ZINC001213629856	1134470949	/nfs/dbraw/zinc/47/09/49/1134470949.db2.gz	UPHXHTOKPCTHIG-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(CC(F)(F)F)nc1	ZINC001213911479	1134495758	/nfs/dbraw/zinc/49/57/58/1134495758.db2.gz	OXBAMIOMHXOQRA-UHFFFAOYSA-N	-1	0	299.277	3.569	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cc(C)cc(C#N)c1	ZINC001214279606	1134527087	/nfs/dbraw/zinc/52/70/87/1134527087.db2.gz	VUMHCJPZKJGJCK-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
Cc1nsc(Nc2c(Cl)ccc([O-])c2F)c1C#N	ZINC001214554295	1134550117	/nfs/dbraw/zinc/55/01/17/1134550117.db2.gz	POIFXNSLGWITKF-UHFFFAOYSA-N	-1	0	283.715	3.565	20	30		CHEDRM
Cc1cc(-c2noc(-c3ccc([S-])cc3)n2)ccc1C#N	ZINC001215307545	1134616275	/nfs/dbraw/zinc/61/62/75/1134616275.db2.gz	DJVYFPSEBJSESZ-UHFFFAOYSA-N	-1	0	293.351	3.872	20	30		CHEDRM
N#Cc1ccc(F)c(-c2noc(-c3ccccc3[S-])n2)c1	ZINC001215308534	1134616586	/nfs/dbraw/zinc/61/65/86/1134616586.db2.gz	XNLRKGJEXVXBTK-UHFFFAOYSA-N	-1	0	297.314	3.703	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccsc2C(=O)[O-])c1C#N	ZINC001215397180	1134623606	/nfs/dbraw/zinc/62/36/06/1134623606.db2.gz	AWABWRPFQVHRBT-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215467873	1134629602	/nfs/dbraw/zinc/62/96/02/1134629602.db2.gz	OVNVHAVJAUUIRB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(C)c1F	ZINC001215704319	1134662332	/nfs/dbraw/zinc/66/23/32/1134662332.db2.gz	JSOKXRUKLXKVNT-UHFFFAOYSA-N	-1	0	290.269	3.603	20	30		CHEDRM
Cc1noc([N-]c2c(F)ccc(C3CC3)c2F)c1C#N	ZINC001215991341	1134744060	/nfs/dbraw/zinc/74/40/60/1134744060.db2.gz	FZEAEWTXDGGEKX-UHFFFAOYSA-N	-1	0	275.258	3.754	20	30		CHEDRM
Cc1ccc(Nc2c([O-])cc(F)cc2F)cc1C#N	ZINC001216076065	1134767288	/nfs/dbraw/zinc/76/72/88/1134767288.db2.gz	OKYNVXOUNFTKRG-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc2c(cccc2F)o1	ZINC001216292249	1134837063	/nfs/dbraw/zinc/83/70/63/1134837063.db2.gz	YEWXOWCUGMRNQU-UHFFFAOYSA-N	-1	0	274.276	3.954	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)ccc2F)cc(C)c1C(=O)[O-]	ZINC001216311051	1134845137	/nfs/dbraw/zinc/84/51/37/1134845137.db2.gz	CSNKUVNQWNSULZ-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1cc(Nc2cccc(CC#N)c2)cc(C)c1C(=O)[O-]	ZINC001216312825	1134846310	/nfs/dbraw/zinc/84/63/10/1134846310.db2.gz	SNHHIBDVRRRATJ-UHFFFAOYSA-N	-1	0	280.327	3.811	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cc1F	ZINC001216313414	1134848022	/nfs/dbraw/zinc/84/80/22/1134848022.db2.gz	JKRDOEOTJTXITR-UHFFFAOYSA-N	-1	0	283.302	3.866	20	30		CHEDRM
N#Cc1cc(Nc2ccc(O)cc2Cl)c([O-])cc1F	ZINC001216430795	1134894878	/nfs/dbraw/zinc/89/48/78/1134894878.db2.gz	VDSGMPSIGRIGOP-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
Cc1c(Nc2c(F)cc(C#N)cc2F)cccc1C(=O)[O-]	ZINC001216661520	1134941257	/nfs/dbraw/zinc/94/12/57/1134941257.db2.gz	JIHMSFLIMOYLKT-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1c(Nc2ccc(C#N)c(Cl)c2)cccc1C(=O)[O-]	ZINC001216660900	1134941906	/nfs/dbraw/zinc/94/19/06/1134941906.db2.gz	VGEGVNYWACVMCC-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(F)cc(-c2c(F)cc(C(=O)[O-])cc2F)c1C#N	ZINC001222403144	1135236956	/nfs/dbraw/zinc/23/69/56/1135236956.db2.gz	MLHLASMMHVBTTI-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
N#CCc1c(F)cccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222425180	1135240511	/nfs/dbraw/zinc/24/05/11/1135240511.db2.gz	VWFGSXAIZXTXHF-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
Cc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001222686607	1135263664	/nfs/dbraw/zinc/26/36/64/1135263664.db2.gz	VGHKUVMLQVXXFO-UHFFFAOYSA-N	-1	0	277.323	3.650	20	30		CHEDRM
Cc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c(C)c1C#N	ZINC001222694113	1135264688	/nfs/dbraw/zinc/26/46/88/1135264688.db2.gz	DQQMEAOPAJADBH-UHFFFAOYSA-N	-1	0	291.350	3.958	20	30		CHEDRM
CC(C)[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)C(F)(F)F	ZINC001223888321	1135394773	/nfs/dbraw/zinc/39/47/73/1135394773.db2.gz	HITIOPCLEATEFF-WENGMCCWSA-N	-1	0	297.223	3.704	20	30		CHEDRM
CCCCCCCCC[C@@H](C)OCC[P@@](=O)([O-])O	ZINC001224602313	1135461466	/nfs/dbraw/zinc/46/14/66/1135461466.db2.gz	QCWUEGBTFLRCNG-CYBMUJFWSA-N	-1	0	280.345	3.710	20	30		CHEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC001226008155	1135651635	/nfs/dbraw/zinc/65/16/35/1135651635.db2.gz	FMJSYCIEGSDOBQ-DMDPSCGWSA-N	-1	0	290.338	3.536	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009562	1135651893	/nfs/dbraw/zinc/65/18/93/1135651893.db2.gz	YELAWFSKSNEANB-VHRBIJSZSA-N	-1	0	290.338	3.558	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009549	1135652029	/nfs/dbraw/zinc/65/20/29/1135652029.db2.gz	YELAWFSKSNEANB-JKOKRWQUSA-N	-1	0	290.338	3.558	20	30		CHEDRM
COc1ccc([C@H](C)Oc2cccc(/C=N/O)c2)cc1	ZINC001226113844	1135664485	/nfs/dbraw/zinc/66/44/85/1135664485.db2.gz	AOJJIUYEBHTBCI-OOIIIRTPSA-N	-1	0	271.316	3.643	20	30		CHEDRM
Cc1ccc(OC[C@H](C)Oc2cccc(/C=N/O)c2)cc1	ZINC001226113952	1135664490	/nfs/dbraw/zinc/66/44/90/1135664490.db2.gz	BYJYGUQLDMBQFQ-BGARDKSCSA-N	-1	0	285.343	3.649	20	30		CHEDRM
C=C(C)n1c2ccccc2nc1O[C@H](C)C1=CC=C[CH]1	ZINC001226219768	1135674035	/nfs/dbraw/zinc/67/40/35/1135674035.db2.gz	ZHEWJFLWNMMDHB-CYBMUJFWSA-N	-1	0	265.336	3.995	20	30		CHEDRM
C[C@H]1C[C@H](C([O-])=Nc2nc3ccsc3s2)CCC1=O	ZINC000329002843	227253664	/nfs/dbraw/zinc/25/36/64/227253664.db2.gz	WMELAFQTBMNUTJ-JGVFFNPUSA-N	-1	0	294.401	3.951	20	30		CHEDRM
Cc1ccccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000151842608	261055922	/nfs/dbraw/zinc/05/59/22/261055922.db2.gz	VFZSIGSXOIMWEB-UHFFFAOYSA-N	-1	0	297.402	3.699	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/C=C/c1ccc(F)cc1	ZINC000178534853	261397670	/nfs/dbraw/zinc/39/76/70/261397670.db2.gz	IYDJMPWHCRWKKW-ZPUQHVIOSA-N	-1	0	294.285	3.517	20	30		CHEDRM
CCOC(C)(C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000186945128	262117512	/nfs/dbraw/zinc/11/75/12/262117512.db2.gz	AEEUQIDHSDAMSS-FRKPEAEDSA-N	-1	0	290.190	3.933	20	30		CHEDRM
O=C1CCC(C([O-])=Nc2nc3ccsc3s2)CC1	ZINC000329898678	262377172	/nfs/dbraw/zinc/37/71/72/262377172.db2.gz	MLISYGPRDMFPTC-UHFFFAOYSA-N	-1	0	280.374	3.705	20	30		CHEDRM
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1	ZINC000280897902	263064907	/nfs/dbraw/zinc/06/49/07/263064907.db2.gz	CFFQYRIFSUBJKO-VDGZZLJRSA-N	-1	0	288.174	3.543	20	30		CHEDRM
C=Cc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000340363935	263119397	/nfs/dbraw/zinc/11/93/97/263119397.db2.gz	RUUAVRUFLBYOGR-CYBMUJFWSA-N	-1	0	268.341	3.585	20	30		CHEDRM
C=CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000292742361	328273204	/nfs/dbraw/zinc/27/32/04/328273204.db2.gz	HMYJGAQCNOVQOP-UHFFFAOYSA-N	-1	0	285.174	3.601	20	30		CHEDRM
CC(C)CN(C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1	ZINC000557780350	327026724	/nfs/dbraw/zinc/02/67/24/327026724.db2.gz	BXFRLENJHWVERH-UHFFFAOYSA-N	-1	0	294.354	3.567	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1F	ZINC000041543360	329565982	/nfs/dbraw/zinc/56/59/82/329565982.db2.gz	ICQLKPPCVOGYBS-GFCCVEGCSA-N	-1	0	294.285	3.765	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000263176890	330047421	/nfs/dbraw/zinc/04/74/21/330047421.db2.gz	GUMHRIDJJVSSSO-LBPRGKRZSA-N	-1	0	287.359	3.582	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)cn2)n1	ZINC000422122048	330125614	/nfs/dbraw/zinc/12/56/14/330125614.db2.gz	PIJZJSRRXGWRLN-GFCCVEGCSA-N	-1	0	299.399	3.634	20	30		CHEDRM
CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000442903112	330791298	/nfs/dbraw/zinc/79/12/98/330791298.db2.gz	SHPMDMATBMLQEW-UHFFFAOYSA-N	-1	0	294.354	3.814	20	30		CHEDRM
C=C(C)Cn1c(-c2sccc2C)n[n-]c1=NC(C)(C)C	ZINC000463111721	331340562	/nfs/dbraw/zinc/34/05/62/331340562.db2.gz	XJFPOXMJAJYSQO-UHFFFAOYSA-N	-1	0	290.436	3.523	20	30		CHEDRM
Cc1cccc2c1C/C(=C/c1ccc(C(=O)[O-])cc1)C2=O	ZINC000729151290	600146208	/nfs/dbraw/zinc/14/62/08/600146208.db2.gz	QGUVOQFZWSJXMK-ZROIWOOFSA-N	-1	0	278.307	3.516	20	30		CHEDRM
N#Cc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000050920398	600177399	/nfs/dbraw/zinc/17/73/99/600177399.db2.gz	GJYNMENBLZBMSW-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
CCCCCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000131977302	600217614	/nfs/dbraw/zinc/21/76/14/600217614.db2.gz	AFGRMXMWQVJYPQ-AWEZNQCLSA-N	-1	0	289.375	3.562	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc(C)c1F	ZINC000738319719	600816810	/nfs/dbraw/zinc/81/68/10/600816810.db2.gz	OOUMZMDVMHJMBB-HWKANZROSA-N	-1	0	288.274	3.630	20	30		CHEDRM
CCCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000829567059	601297720	/nfs/dbraw/zinc/29/77/20/601297720.db2.gz	XGXNRQNCEPZNMG-KRWDZBQOSA-N	-1	0	294.354	3.749	20	30		CHEDRM
Cc1c2ccccc2oc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1	ZINC000832848559	601792103	/nfs/dbraw/zinc/79/21/03/601792103.db2.gz	GWCLPIPEZGIPPP-SREVYHEPSA-N	-1	0	295.294	3.664	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000678979379	602086606	/nfs/dbraw/zinc/08/66/06/602086606.db2.gz	BLQDCXRARQUIPY-UHFFFAOYSA-N	-1	0	293.750	3.745	20	30		CHEDRM
C=CCCNc1ccc(NC(=O)[O-])cc1C(F)(F)F	ZINC000738492238	603408100	/nfs/dbraw/zinc/40/81/00/603408100.db2.gz	CBIFJQUZYFONMC-UHFFFAOYSA-N	-1	0	274.242	3.783	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000832880408	604627124	/nfs/dbraw/zinc/62/71/24/604627124.db2.gz	DLXMNBYNYIHCMH-OQFOIZHKSA-N	-1	0	284.286	3.728	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1F	ZINC000832928874	604629531	/nfs/dbraw/zinc/62/95/31/604629531.db2.gz	XTRHVDQIVQEUEK-RUDMXATFSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(N=Nc1cccc(F)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814815163	604637726	/nfs/dbraw/zinc/63/77/26/604637726.db2.gz	OYIVSMUUMSSJQN-NSHDSACASA-N	-1	0	280.343	3.895	20	30		CHEDRM
CC(C)=CCCC(C)C=CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763377676	604669162	/nfs/dbraw/zinc/66/91/62/604669162.db2.gz	SKJJKEZTNWPXFQ-PJSBQUSISA-N	-1	0	287.363	3.870	20	30		CHEDRM
C=CCC[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1	ZINC000833373240	604716582	/nfs/dbraw/zinc/71/65/82/604716582.db2.gz	IRVREFPLATXVPU-CQSZACIVSA-N	-1	0	282.343	3.899	20	30		CHEDRM
CC(C)c1ccc(CCN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763372411	604901491	/nfs/dbraw/zinc/90/14/91/604901491.db2.gz	XPNCVUYYNXAWBM-UHFFFAOYSA-N	-1	0	297.358	3.544	20	30		CHEDRM
C=C(CC)CNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000833371169	605005196	/nfs/dbraw/zinc/00/51/96/605005196.db2.gz	YLOUFMRJVUFGRP-UHFFFAOYSA-N	-1	0	285.343	3.681	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833374039	605057242	/nfs/dbraw/zinc/05/72/42/605057242.db2.gz	OEFDWFZSIQWKOU-NSHDSACASA-N	-1	0	291.351	3.643	20	30		CHEDRM
CC(C)(C)C[C@@H](Sc1cccc(C#N)c1)C(=O)[O-]	ZINC000833430298	605154889	/nfs/dbraw/zinc/15/48/89/605154889.db2.gz	VDEDJHPDRANQDT-GFCCVEGCSA-N	-1	0	263.362	3.540	20	30		CHEDRM
CC(C)(CCC#N)CN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833451753	605156685	/nfs/dbraw/zinc/15/66/85/605156685.db2.gz	ZDBMIEWQYJXDOH-UHFFFAOYSA-N	-1	0	293.754	3.766	20	30		CHEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1cccc(C(=O)[O-])c1	ZINC000783772089	605328924	/nfs/dbraw/zinc/32/89/24/605328924.db2.gz	JOUBCHOQBPCTKW-YPMHNXCESA-N	-1	0	260.337	3.609	20	30		CHEDRM
C=C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000301020093	963053043	/nfs/dbraw/zinc/05/30/43/963053043.db2.gz	NIAMEDPOBVVHMA-MRVPVSSYSA-N	-1	0	263.145	3.725	20	30		CHEDRM
CCCCCCCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000100151042	949208396	/nfs/dbraw/zinc/20/83/96/949208396.db2.gz	VZUFDQGVFQHVBS-UHFFFAOYSA-N	-1	0	263.337	3.684	20	30		CHEDRM
Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CC=CCC2)cc1	ZINC000013181617	956966864	/nfs/dbraw/zinc/96/68/64/956966864.db2.gz	FTCACNYGFFWKSQ-CABCVRRESA-N	-1	0	287.359	3.824	20	30		CHEDRM
Cc1cccc(C#N)c1SCCC1(C(=O)[O-])CCC1	ZINC001594386933	958685670	/nfs/dbraw/zinc/68/56/70/958685670.db2.gz	RVYSCGKYHWPQSD-UHFFFAOYSA-N	-1	0	275.373	3.604	20	30		CHEDRM
CCCCCCCCC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000165633046	959287376	/nfs/dbraw/zinc/28/73/76/959287376.db2.gz	WXZVCSMKQGOTMJ-UHFFFAOYSA-N	-1	0	297.439	3.888	20	30		CHEDRM
Cc1cc(OCCCCC(C)(C)C#N)ccc1C(=O)[O-]	ZINC000232365901	960259799	/nfs/dbraw/zinc/25/97/99/960259799.db2.gz	OMSVJCDGIZPTFU-UHFFFAOYSA-N	-1	0	275.348	3.792	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001573840627	961066597	/nfs/dbraw/zinc/06/65/97/961066597.db2.gz	INPMBKHRPZVGLF-RHSMWYFYSA-N	-1	0	297.439	3.696	20	30		CHEDRM
Cc1cccc2c1CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000729641029	1125482097	/nfs/dbraw/zinc/48/20/97/1125482097.db2.gz	ANXYUHIDUDIMLY-VHWUNXFSSA-N	-1	0	296.326	3.715	20	30		CHEDRM
C=C1CCC(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1	ZINC001573344397	962918389	/nfs/dbraw/zinc/91/83/89/962918389.db2.gz	VYXLDIGUKYZVGK-UHFFFAOYSA-N	-1	0	293.750	3.723	20	30		CHEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC001573353137	962997774	/nfs/dbraw/zinc/99/77/74/962997774.db2.gz	PRXVOBBHNHKVQY-UHFFFAOYSA-N	-1	0	288.130	3.596	20	30		CHEDRM
C=CCCCCCCNC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000315115053	963857922	/nfs/dbraw/zinc/85/79/22/963857922.db2.gz	OUBZCNZCNVUGPH-UHFFFAOYSA-N	-1	0	290.363	3.643	20	30		CHEDRM
CCCCCCCCCC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000398833418	968281217	/nfs/dbraw/zinc/28/12/17/968281217.db2.gz	IDWGQJOJVBDBFI-GJZGRUSLSA-N	-1	0	297.439	3.696	20	30		CHEDRM
N#Cc1ccccc1SCc1ccc(C(=O)[O-])cc1	ZINC001605620336	973943508	/nfs/dbraw/zinc/94/35/08/973943508.db2.gz	ZVKIHGXOTUNSFD-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
C=CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1cccs1	ZINC000580206117	974890945	/nfs/dbraw/zinc/89/09/45/974890945.db2.gz	QDGYIUJSQWWZMI-UHFFFAOYSA-N	-1	0	291.372	3.536	20	30		CHEDRM
Cc1ccc(N=NC(C)CCc2ccco2)cc1C(=O)[O-]	ZINC001592552420	978439796	/nfs/dbraw/zinc/43/97/96/978439796.db2.gz	ZGEDTDLVONXZJA-UHFFFAOYSA-N	-1	0	286.331	3.707	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC=CCc1ccccc1	ZINC000756905465	978701595	/nfs/dbraw/zinc/70/15/95/978701595.db2.gz	APMUNPUBDZGFEN-XQJBRBSMSA-N	-1	0	296.326	3.505	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)c1ccccc1	ZINC000756905860	978702245	/nfs/dbraw/zinc/70/22/45/978702245.db2.gz	NLNZGULHZHJJPK-LBPRGKRZSA-N	-1	0	298.342	3.595	20	30		CHEDRM
COc1cc(C)ccc1C(C)=NNc1cccc(C(=O)[O-])c1	ZINC000767031381	978732299	/nfs/dbraw/zinc/73/22/99/978732299.db2.gz	XAJPJKYSLVRTJB-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1sccc1Cl	ZINC000782177976	978791662	/nfs/dbraw/zinc/79/16/62/978791662.db2.gz	XQYQKCFQDAQQPK-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
CCc1cccc(F)c1C=NNc1cccc(C(=O)[O-])c1	ZINC000794452489	978813184	/nfs/dbraw/zinc/81/31/84/978813184.db2.gz	XYGSAEBTAMDWKQ-UHFFFAOYSA-N	-1	0	286.306	3.532	20	30		CHEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])cc1	ZINC000809155907	978853900	/nfs/dbraw/zinc/85/39/00/978853900.db2.gz	HSHBEFXRUKZUQH-HPUUJOOBSA-N	-1	0	278.307	3.768	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814693333	978873496	/nfs/dbraw/zinc/87/34/96/978873496.db2.gz	KERPKCPEDVNUIS-NXEZZACHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
COc1cccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])c1	ZINC000814778615	978883871	/nfs/dbraw/zinc/88/38/71/978883871.db2.gz	OBYMBYRULSBEPW-GFCCVEGCSA-N	-1	0	292.379	3.764	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(Cl)c2F)CC[C@@H]1CC(=O)[O-]	ZINC000814818711	978888027	/nfs/dbraw/zinc/88/80/27/978888027.db2.gz	FVVWFWIQQPUBTK-RKDXNWHRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CC(=NN[C@H]1CCCC1(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814917466	978898735	/nfs/dbraw/zinc/89/87/35/978898735.db2.gz	LTTQKISUAMFRLU-JSGCOSHPSA-N	-1	0	282.428	3.812	20	30		CHEDRM
CC(=NN[C@H]1CCCC1(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000814917467	978898821	/nfs/dbraw/zinc/89/88/21/978898821.db2.gz	LTTQKISUAMFRLU-OCCSQVGLSA-N	-1	0	282.428	3.812	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCCF)cc1F	ZINC000835009544	979244273	/nfs/dbraw/zinc/24/42/73/979244273.db2.gz	VBNLFTKYPPVIAQ-SNVBAGLBSA-N	-1	0	296.317	3.842	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccc(Cl)s2)c1	ZINC000839383480	979273390	/nfs/dbraw/zinc/27/33/90/979273390.db2.gz	KQUVTDBLRJYLLF-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
Cc1c(N=NC2CCC[C@@H]2C(C)(C)C#N)cccc1C(=O)[O-]	ZINC000844624634	979397240	/nfs/dbraw/zinc/39/72/40/979397240.db2.gz	YNOTZWRDLYNWMO-ZDUSSCGKSA-N	-1	0	299.374	3.811	20	30		CHEDRM
CCC(CC)CN(CCC#N)Cc1csc(C(=O)[O-])c1	ZINC001595111296	979456798	/nfs/dbraw/zinc/45/67/98/979456798.db2.gz	FAJUSNHVRHHHPS-UHFFFAOYSA-N	-1	0	294.420	3.598	20	30		CHEDRM
CC1(C)CCC/C(=C\c2ccc(C(=O)[O-])c(F)c2)C1=O	ZINC000849246636	979490461	/nfs/dbraw/zinc/49/04/61/979490461.db2.gz	JJIBDURVBRKIPB-DHZHZOJOSA-N	-1	0	276.307	3.687	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000899539578	980229481	/nfs/dbraw/zinc/22/94/81/980229481.db2.gz	BXIHARPUEBMJLZ-SNVBAGLBSA-N	-1	0	293.388	3.648	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000909106898	981418271	/nfs/dbraw/zinc/41/82/71/981418271.db2.gz	HJGBEQRFIANUGG-AWEZNQCLSA-N	-1	0	281.739	3.579	20	30		CHEDRM
CCCC[C@@H](S[C@H](C#N)Cc1ccc(C)cc1)C(=O)[O-]	ZINC001595651553	982022977	/nfs/dbraw/zinc/02/29/77/982022977.db2.gz	HUOVHWQAPNVHIB-LSDHHAIUSA-N	-1	0	291.416	3.806	20	30		CHEDRM
CCCCCCCCC/C=C/C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001595705361	982284644	/nfs/dbraw/zinc/28/46/44/982284644.db2.gz	XYDXHZSWDATIHN-AUECHBEKSA-N	-1	0	295.423	3.616	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1	ZINC001596058416	983365614	/nfs/dbraw/zinc/36/56/14/983365614.db2.gz	KUYNIVGRQPYCOI-CMDGGOBGSA-N	-1	0	284.311	3.826	20	30		CHEDRM
C=C(C)C[C@@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-]	ZINC001588540485	983604095	/nfs/dbraw/zinc/60/40/95/983604095.db2.gz	HNGFQHFWEJXKFE-CQSZACIVSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)N(CCCC)[C@H]1CCC[C@H](C)C1	ZINC001588612847	983704019	/nfs/dbraw/zinc/70/40/19/983704019.db2.gz	YLOOFOOHJAEMOQ-ZFWWWQNUSA-N	-1	0	295.423	3.615	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-]	ZINC001588673334	983829769	/nfs/dbraw/zinc/82/97/69/983829769.db2.gz	RHQSBKMHOTUPGY-UHFFFAOYSA-N	-1	0	295.766	3.887	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588692607	983884581	/nfs/dbraw/zinc/88/45/81/983884581.db2.gz	FRQQCUAQJOJKGQ-SECBINFHSA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=CC[C@H](SCc1cc(C)ccc1C)C(=O)[O-]	ZINC001588758228	984105503	/nfs/dbraw/zinc/10/55/03/984105503.db2.gz	FFKMCVCMSVAQOU-ZDUSSCGKSA-N	-1	0	250.363	3.566	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1	ZINC001588764738	984123620	/nfs/dbraw/zinc/12/36/20/984123620.db2.gz	HQQOHSDRIDYJGP-UHFFFAOYSA-N	-1	0	287.359	3.850	20	30		CHEDRM
C=CC[C@H]1CC[C@H](Nc2cc(C)cc(C(=O)[O-])c2)C1	ZINC001588770999	984137218	/nfs/dbraw/zinc/13/72/18/984137218.db2.gz	LEIJYCAPSNMCEL-JSGCOSHPSA-N	-1	0	259.349	3.850	20	30		CHEDRM
C=CCC[C@@H](CC)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588777681	984157484	/nfs/dbraw/zinc/15/74/84/984157484.db2.gz	FVDYWILAAZWKJU-GFCCVEGCSA-N	-1	0	263.337	3.550	20	30		CHEDRM
C=CCCC[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001588787043	984185549	/nfs/dbraw/zinc/18/55/49/984185549.db2.gz	SVFLNPYPGSOYEA-HUUCEWRRSA-N	-1	0	295.423	3.519	20	30		CHEDRM
CC(C)(C)c1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC001590472381	990044902	/nfs/dbraw/zinc/04/49/02/990044902.db2.gz	OASPVVVXLSSALF-WTKPLQERSA-N	-1	0	297.354	3.907	20	30		CHEDRM
C[C@@H](SCc1cccc(C(=O)[O-])n1)c1ccc(C#N)cc1	ZINC001593661523	996037852	/nfs/dbraw/zinc/03/78/52/996037852.db2.gz	DSSIIVLNGXEYHM-LLVKDONJSA-N	-1	0	298.367	3.646	20	30		CHEDRM
C[C@H](SCc1cccc(C(=O)[O-])n1)c1cccc(C#N)c1	ZINC001593661664	996039035	/nfs/dbraw/zinc/03/90/35/996039035.db2.gz	KPPZBNNAEVZHDI-NSHDSACASA-N	-1	0	298.367	3.646	20	30		CHEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000853258455	1123430823	/nfs/dbraw/zinc/43/08/23/1123430823.db2.gz	PYHXMWFVCHPZIN-UHFFFAOYSA-N	-1	0	293.754	3.766	20	30		CHEDRM
Cc1noc(Nc2cc(Cl)c([O-])c(Cl)c2)c1C#N	ZINC001210923039	1134327384	/nfs/dbraw/zinc/32/73/84/1134327384.db2.gz	JMTAFCYSIURZMQ-UHFFFAOYSA-N	-1	0	284.102	3.611	20	30		CHEDRM
N#Cc1ccc(Cl)nc1Nc1ccc(Cl)c([O-])c1F	ZINC001214796459	1134574141	/nfs/dbraw/zinc/57/41/41/1134574141.db2.gz	WYPCCBVIVDFDHV-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
N#Cc1cccc(Nc2ccc(Cl)c([O-])c2F)c1F	ZINC001214799048	1134574673	/nfs/dbraw/zinc/57/46/73/1134574673.db2.gz	JRHZOAZXOBXLLS-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1ccc([S-])cc1	ZINC001225555382	1135586874	/nfs/dbraw/zinc/58/68/74/1135586874.db2.gz	MMTRAJFUCLCLHE-NSHDSACASA-N	-1	0	250.439	3.623	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211964990	1125530391	/nfs/dbraw/zinc/53/03/91/1125530391.db2.gz	IOXLBFVGXOEDEC-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1ccsc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136508844	1125641049	/nfs/dbraw/zinc/64/10/49/1125641049.db2.gz	ORSIWBYZDINYLN-SNAWJCMRSA-N	-1	0	289.312	3.566	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)[C@](C)(CC)CC(=O)[O-])c1	ZINC000899854351	1126705033	/nfs/dbraw/zinc/70/50/33/1126705033.db2.gz	JTMURLJGFICISN-MRXNPFEDSA-N	-1	0	275.348	3.549	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NOCc2cccnc2)cc1Cl	ZINC000758119896	1130597906	/nfs/dbraw/zinc/59/79/06/1130597906.db2.gz	POZPZKXVULWBCI-UHFFFAOYSA-N	-1	0	297.141	3.645	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000907769124	1126984296	/nfs/dbraw/zinc/98/42/96/1126984296.db2.gz	RVVZAMQXMVCWLL-SECBINFHSA-N	-1	0	296.392	3.506	20	30		CHEDRM
C=CCN=c1[n-]nc(S[C@H](C)c2ccccc2C)s1	ZINC000487213112	1127024851	/nfs/dbraw/zinc/02/48/51/1127024851.db2.gz	XFJVFWLKWKTHQC-LLVKDONJSA-N	-1	0	291.445	3.720	20	30		CHEDRM
CCCCCCCC[C@H](CC)OCCCS(=O)(=O)[O-]	ZINC001224899584	1127134619	/nfs/dbraw/zinc/13/46/19/1127134619.db2.gz	PHBHCKBJLOWZHE-AWEZNQCLSA-N	-1	0	294.457	3.810	20	30		CHEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000355290865	1127331695	/nfs/dbraw/zinc/33/16/95/1127331695.db2.gz	BOIKCULSKNKOFO-VIFPVBQESA-N	-1	0	299.380	3.551	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ccoc2C(C)C)n1	ZINC000361648647	1127579437	/nfs/dbraw/zinc/57/94/37/1127579437.db2.gz	TXGQGZJHBWGRDW-LLVKDONJSA-N	-1	0	274.345	3.658	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCc1ccccn1	ZINC000060803062	1127587037	/nfs/dbraw/zinc/58/70/37/1127587037.db2.gz	DZZFODQWSNYZDY-RQZCQDPDSA-N	-1	0	295.169	3.756	20	30		CHEDRM
COc1ccccc1/C=C/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000170851749	1127658084	/nfs/dbraw/zinc/65/80/84/1127658084.db2.gz	MVSARWZTOQBMRR-JHMJBTLWSA-N	-1	0	298.313	3.992	20	30		CHEDRM
Cc1ccsc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915991153	1128401687	/nfs/dbraw/zinc/40/16/87/1128401687.db2.gz	WRTHDHRDYPWFKS-SREVYHEPSA-N	-1	0	286.352	3.580	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000915987462	1128401879	/nfs/dbraw/zinc/40/18/79/1128401879.db2.gz	DWUAAPZOXPUNST-YFHOEESVSA-N	-1	0	280.323	3.518	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000036313503	1128403917	/nfs/dbraw/zinc/40/39/17/1128403917.db2.gz	RVKHKZFBVWEOHL-QPJJXVBHSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CC(C)[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C[C@H]1C	ZINC000763369261	1128418979	/nfs/dbraw/zinc/41/89/79/1128418979.db2.gz	USQOLCSHNWPYBV-RISCZKNCSA-N	-1	0	289.379	3.640	20	30		CHEDRM
CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000916877909	1128460084	/nfs/dbraw/zinc/46/00/84/1128460084.db2.gz	IQIQRIJLKDFIDW-CYBMUJFWSA-N	-1	0	282.343	3.558	20	30		CHEDRM
Cc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000917559274	1128505955	/nfs/dbraw/zinc/50/59/55/1128505955.db2.gz	JGIFLRVOAQAIGK-YXHQGMJNSA-N	-1	0	284.315	3.789	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000935973318	1128506742	/nfs/dbraw/zinc/50/67/42/1128506742.db2.gz	SPQBQKOOMXQGTN-MRVPVSSYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1F	ZINC000778533850	1128542943	/nfs/dbraw/zinc/54/29/43/1128542943.db2.gz	YQBHPDLNZWFBLH-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041545477	1128547282	/nfs/dbraw/zinc/54/72/82/1128547282.db2.gz	RKRAEFMJNNIFAE-CQSZACIVSA-N	-1	0	290.322	3.880	20	30		CHEDRM
CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041545480	1128547374	/nfs/dbraw/zinc/54/73/74/1128547374.db2.gz	RKRAEFMJNNIFAE-AWEZNQCLSA-N	-1	0	290.322	3.880	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)cc1)c1nc2ccccc2o1	ZINC000041546315	1128547470	/nfs/dbraw/zinc/54/74/70/1128547470.db2.gz	ULQYAZPJHYXXIB-LBPRGKRZSA-N	-1	0	296.713	3.971	20	30		CHEDRM
C[C@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000156601012	1128637260	/nfs/dbraw/zinc/63/72/60/1128637260.db2.gz	KHQRQSDKEJJNGW-RUNBWSAHSA-N	-1	0	293.322	3.579	20	30		CHEDRM
Cc1ccc2c(c1)CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920177953	1128670799	/nfs/dbraw/zinc/67/07/99/1128670799.db2.gz	MLDVKUPLXHVCLC-VHWUNXFSSA-N	-1	0	296.326	3.715	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCCCO1	ZINC000920387522	1128679731	/nfs/dbraw/zinc/67/97/31/1128679731.db2.gz	QQVRMHTXKQXXNS-FQKZPNAISA-N	-1	0	288.174	3.687	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(Cl)c2F)c1	ZINC000920944480	1128696325	/nfs/dbraw/zinc/69/63/25/1128696325.db2.gz	MNVQZYCBSCLYTQ-UHFFFAOYSA-N	-1	0	294.669	3.844	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc(F)c(F)c1	ZINC000175321408	1117864520	/nfs/dbraw/zinc/86/45/20/1117864520.db2.gz	OARGBBFNWZRHSW-DAFODLJHSA-N	-1	0	296.219	3.845	20	30		CHEDRM
O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc([O-])c(F)c1	ZINC000170851714	1128740588	/nfs/dbraw/zinc/74/05/88/1128740588.db2.gz	FMQYVDAKWZNOAF-FNORWQNLSA-N	-1	0	296.297	3.746	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCCOC1	ZINC000255037024	1118004603	/nfs/dbraw/zinc/00/46/03/1118004603.db2.gz	QLAOWSRSUJMFAC-JUAVFEPTSA-N	-1	0	288.174	3.545	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CC(c3ccccc3)C2)c1	ZINC000728226594	1118033434	/nfs/dbraw/zinc/03/34/34/1118033434.db2.gz	UTPWEZVLFMTYIL-WQRHYEAKSA-N	-1	0	296.326	3.666	20	30		CHEDRM
Cc1ccc(F)c(-c2cc(C#N)cc3[nH]ccc32)c1O	ZINC001236413489	1128752799	/nfs/dbraw/zinc/75/27/99/1128752799.db2.gz	AFGXCYHKCPKRHI-UHFFFAOYSA-N	-1	0	266.275	3.860	20	30		CHEDRM
C[C@]1(c2ccccc2)C[C@H]1C(=O)N(O)Cc1ccc(F)cc1	ZINC001649075879	1118320381	/nfs/dbraw/zinc/32/03/81/1118320381.db2.gz	ISCQERLFNKRZMX-FUHWJXTLSA-N	-1	0	299.345	3.521	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1ccccc1C(=O)[O-]	ZINC000086112420	1118342165	/nfs/dbraw/zinc/34/21/65/1118342165.db2.gz	KLEPRJNCFRUTGZ-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2c[nH]c3ccccc23)c1	ZINC000782200934	1118502258	/nfs/dbraw/zinc/50/22/58/1118502258.db2.gz	OXSYSHYPEVJGCU-AATRIKPKSA-N	-1	0	297.335	3.824	20	30		CHEDRM
Cc1nscc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000180444938	1128793675	/nfs/dbraw/zinc/79/36/75/1128793675.db2.gz	GWRSCDPIUJIFHS-VIFPVBQESA-N	-1	0	291.401	3.522	20	30		CHEDRM
COc1ccccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480354	1118910708	/nfs/dbraw/zinc/91/07/08/1118910708.db2.gz	RVMLBCQOQGLAQD-VURMDHGXSA-N	-1	0	288.730	3.950	20	30		CHEDRM
C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000255426983	1118911563	/nfs/dbraw/zinc/91/15/63/1118911563.db2.gz	KHQRQSDKEJJNGW-BIRHUZIMSA-N	-1	0	293.322	3.579	20	30		CHEDRM
CCOc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000728438933	1118947390	/nfs/dbraw/zinc/94/73/90/1118947390.db2.gz	RCEPFKFSRZDOJC-SOFGYWHQSA-N	-1	0	286.302	3.826	20	30		CHEDRM
COc1ccsc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000588488983	1118954666	/nfs/dbraw/zinc/95/46/66/1118954666.db2.gz	CEIJNRSZRBUAPJ-IHWYPQMZSA-N	-1	0	296.294	3.637	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(F)cc2C#N)cc(C(=O)[O-])c1	ZINC001211547116	1119099643	/nfs/dbraw/zinc/09/96/43/1119099643.db2.gz	GGHGVYPKGKKSKV-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#CCCC[C@H](N=c1nc(C2CC2)[n-]s1)c1ccccc1	ZINC000431485228	1119202720	/nfs/dbraw/zinc/20/27/20/1119202720.db2.gz	GWPWBJRMOIFXDH-AWEZNQCLSA-N	-1	0	298.415	3.684	20	30		CHEDRM
CC(C)Oc1cccc(Nc2scc([O-])c2C#N)c1F	ZINC001212319762	1128843316	/nfs/dbraw/zinc/84/33/16/1128843316.db2.gz	QZMRHTCHZONUOA-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C(C)(C)C#N)nc1	ZINC001211616187	1119512147	/nfs/dbraw/zinc/51/21/47/1119512147.db2.gz	AHJLBFRAJWDBHQ-UHFFFAOYSA-N	-1	0	295.342	3.633	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1F	ZINC001211629039	1119685421	/nfs/dbraw/zinc/68/54/21/1119685421.db2.gz	ULQUOMXKXIQEQV-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
CC(C)(C)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000187176321	1120013319	/nfs/dbraw/zinc/01/33/19/1120013319.db2.gz	UFVSIXZNHRPZFH-UHFFFAOYSA-N	-1	0	277.412	3.779	20	30		CHEDRM
N#Cc1ccccc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119262313	1120196750	/nfs/dbraw/zinc/19/67/50/1120196750.db2.gz	ZUSDNIUKFCCZGZ-FNORWQNLSA-N	-1	0	283.714	3.813	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(O)c(Cl)c1	ZINC001214482602	1120245676	/nfs/dbraw/zinc/24/56/76/1120245676.db2.gz	DEMQBDWUDRKGQJ-UHFFFAOYSA-N	-1	0	284.699	3.567	20	30		CHEDRM
CCCOc1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001211666168	1120750542	/nfs/dbraw/zinc/75/05/42/1120750542.db2.gz	VTMRSVGFQXJHEZ-UHFFFAOYSA-N	-1	0	292.335	3.997	20	30		CHEDRM
CC(C)(C)n1cc(C#N)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174805981	1121055083	/nfs/dbraw/zinc/05/50/83/1121055083.db2.gz	MEFNQCVCKYFAHR-UHFFFAOYSA-N	-1	0	289.360	3.618	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])s1	ZINC001174811086	1121057286	/nfs/dbraw/zinc/05/72/86/1121057286.db2.gz	XCNSYQNJHZUUJG-UHFFFAOYSA-N	-1	0	272.329	3.624	20	30		CHEDRM
Cc1ccc(F)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174884183	1121059364	/nfs/dbraw/zinc/05/93/64/1121059364.db2.gz	KOYFEOIRBUGCDA-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
CC(C)Oc1cc(F)cc(Nc2scc([O-])c2C#N)c1	ZINC001175139914	1121199301	/nfs/dbraw/zinc/19/93/01/1121199301.db2.gz	AIEPUGMZFHKKDY-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001175161649	1121204159	/nfs/dbraw/zinc/20/41/59/1121204159.db2.gz	KSRGCLJJSWDTNW-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175220708	1121228080	/nfs/dbraw/zinc/22/80/80/1121228080.db2.gz	YYOAPPHZUQLUKI-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001175221558	1121229458	/nfs/dbraw/zinc/22/94/58/1121229458.db2.gz	HKYRJAGKGAOVJX-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1sc(Nc2cccc(C(=O)[O-])c2)c(C#N)c1C	ZINC001175328682	1121285215	/nfs/dbraw/zinc/28/52/15/1121285215.db2.gz	NJHBEQWGIPQDCX-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175331716	1121287119	/nfs/dbraw/zinc/28/71/19/1121287119.db2.gz	LOEJSSAFIHELBA-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cnn(C2CCCCC2)c1	ZINC001175877900	1121475332	/nfs/dbraw/zinc/47/53/32/1121475332.db2.gz	CUZKKKHHJYCPET-UHFFFAOYSA-N	-1	0	288.376	3.771	20	30		CHEDRM
N#Cc1cc(Nc2csc(C(=O)[O-])c2)ccc1Cl	ZINC001176438916	1121622770	/nfs/dbraw/zinc/62/27/70/1121622770.db2.gz	FZVGTILZDABXTQ-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1csc(C(=O)[O-])c1	ZINC001176439411	1121622833	/nfs/dbraw/zinc/62/28/33/1121622833.db2.gz	VFGCRORZEDQWLP-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176589153	1121649330	/nfs/dbraw/zinc/64/93/30/1121649330.db2.gz	CSRTWSVHQKOHNJ-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176595128	1121650302	/nfs/dbraw/zinc/65/03/02/1121650302.db2.gz	HQGRFWJVUNLFJB-XBXARRHUSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1	ZINC001176672519	1121672945	/nfs/dbraw/zinc/67/29/45/1121672945.db2.gz	ZFTCVDALNXZDJJ-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176673359	1121673204	/nfs/dbraw/zinc/67/32/04/1121673204.db2.gz	UAUJYFRBLFBYRE-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)ccc1F	ZINC000729150950	1121760604	/nfs/dbraw/zinc/76/06/04/1121760604.db2.gz	RBWOZHNTNZJTBG-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
Cc1ccc(C)c(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730149985	1121795114	/nfs/dbraw/zinc/79/51/14/1121795114.db2.gz	NQNASLDKXPLRHX-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cc1C	ZINC000731314282	1121859670	/nfs/dbraw/zinc/85/96/70/1121859670.db2.gz	JDLYAOKEKDLYSC-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
C[C@@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1	ZINC000733081222	1121956767	/nfs/dbraw/zinc/95/67/67/1121956767.db2.gz	RGQGDJYWDWDXIZ-LOXUEPLVSA-N	-1	0	276.336	3.544	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249961762	1121970648	/nfs/dbraw/zinc/97/06/48/1121970648.db2.gz	DRBHWYFNMDCBGB-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
C=C1CC(C)(C(=O)Nc2ccc3[n-]c(=S)sc3c2)C1	ZINC001184787280	1122297619	/nfs/dbraw/zinc/29/76/19/1122297619.db2.gz	JBYCECOFQDLNNW-UHFFFAOYSA-N	-1	0	290.413	3.880	20	30		CHEDRM
O=C(C=Cc1nccn1-c1ccccc1)c1sccc1[O-]	ZINC000193149565	1129056018	/nfs/dbraw/zinc/05/60/18/1129056018.db2.gz	VOLQWFZUCAZWIH-VOTSOKGWSA-N	-1	0	296.351	3.536	20	30		CHEDRM
C=CC[C@@H](Oc1c(F)c(F)c([O-])c(F)c1F)C(C)C	ZINC001225884123	1122620543	/nfs/dbraw/zinc/62/05/43/1122620543.db2.gz	GMGBAHDVILECQJ-SSDOTTSWSA-N	-1	0	278.245	3.928	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292107	1122637625	/nfs/dbraw/zinc/63/76/25/1122637625.db2.gz	BRKQMJVSVFIKND-UHFFFAOYSA-N	-1	0	284.290	3.702	20	30		CHEDRM
C=CCOC(=O)Nc1cc(Cl)c(CC)c(Cl)c1[O-]	ZINC001194320170	1122765843	/nfs/dbraw/zinc/76/58/43/1122765843.db2.gz	UMUAWKVYHSWBDS-UHFFFAOYSA-N	-1	0	290.146	3.996	20	30		CHEDRM
CC(C)c1ccccc1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195733246	1122882276	/nfs/dbraw/zinc/88/22/76/1122882276.db2.gz	GJYCUNBWXWJCHF-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
C=CCCCCCN(C)C(=O)c1cccc(Cl)c1[O-]	ZINC000775753331	1122939837	/nfs/dbraw/zinc/93/98/37/1122939837.db2.gz	JGNJWPZNMSDLCU-UHFFFAOYSA-N	-1	0	281.783	3.864	20	30		CHEDRM
CCc1cc(C(=O)Nc2ccccc2[S-])ccc1C#N	ZINC001197293038	1122952920	/nfs/dbraw/zinc/95/29/20/1122952920.db2.gz	SNLXEMONLFVPBW-UHFFFAOYSA-N	-1	0	282.368	3.662	20	30		CHEDRM
Cc1cccc(C)c1NC(=O)NC1=C(C#N)C(=O)CS1	ZINC001202198846	1123186239	/nfs/dbraw/zinc/18/62/39/1123186239.db2.gz	NTBSWPTYRKCXMC-UHFFFAOYSA-N	-1	0	287.344	3.586	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000007333314	1123248997	/nfs/dbraw/zinc/24/89/97/1123248997.db2.gz	AEZOYDAAFPWNAL-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
C=CCCc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000443416270	1123395949	/nfs/dbraw/zinc/39/59/49/1123395949.db2.gz	HTQHZCLZJCDNMD-UHFFFAOYSA-N	-1	0	293.413	3.668	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)c1	ZINC000041545430	1123592498	/nfs/dbraw/zinc/59/24/98/1123592498.db2.gz	GVJPRLOUBQGTKX-CQSZACIVSA-N	-1	0	290.322	3.935	20	30		CHEDRM
COCC[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840712191	1123721969	/nfs/dbraw/zinc/72/19/69/1123721969.db2.gz	XBHZFEKUTLJUMU-VKPPLCHCSA-N	-1	0	290.190	3.791	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)co1	ZINC000444454676	1124037149	/nfs/dbraw/zinc/03/71/49/1124037149.db2.gz	PHLXUHDIWBYEHF-NSHDSACASA-N	-1	0	282.324	3.688	20	30		CHEDRM
CC(=C\c1ccccc1)/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000508603446	1124487187	/nfs/dbraw/zinc/48/71/87/1124487187.db2.gz	JDHLIAMVICUVEH-OJNBOFHUSA-N	-1	0	290.322	3.768	20	30		CHEDRM
CCc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)s1	ZINC000018065731	1124545029	/nfs/dbraw/zinc/54/50/29/1124545029.db2.gz	CSWCPPOGOCRWNE-WEVVVXLNSA-N	-1	0	286.352	3.905	20	30		CHEDRM
C[C@H](CCC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000124004511	1124702248	/nfs/dbraw/zinc/70/22/48/1124702248.db2.gz	VEBWAQJDKUHBHS-CYBMUJFWSA-N	-1	0	294.354	3.786	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C(F)=C2CCC2)n1	ZINC000820183516	1131278741	/nfs/dbraw/zinc/27/87/41/1131278741.db2.gz	ABIBUJNDDFFZPX-SNVBAGLBSA-N	-1	0	278.352	3.850	20	30		CHEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2F)cc(F)c1C#N	ZINC001239262166	1131308720	/nfs/dbraw/zinc/30/87/20/1131308720.db2.gz	UBEHAXILGCOBFU-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])cc2F)c2sccc21	ZINC001239253992	1131307646	/nfs/dbraw/zinc/30/76/46/1131307646.db2.gz	GXSDURFURRAXCK-UHFFFAOYSA-N	-1	0	298.298	3.672	20	30		CHEDRM
N#Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c2cc[nH]c21	ZINC001239351179	1131321035	/nfs/dbraw/zinc/32/10/35/1131321035.db2.gz	AWTSQPNHONONTM-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
C=CCOCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000849171698	1125299813	/nfs/dbraw/zinc/29/98/13/1125299813.db2.gz	DTRKTYOIXRTOOX-CXUHLZMHSA-N	-1	0	288.174	3.711	20	30		CHEDRM
Cc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000213228460	1125358834	/nfs/dbraw/zinc/35/88/34/1125358834.db2.gz	PRIIMVFIAMDWOA-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1C	ZINC000734305022	1129300318	/nfs/dbraw/zinc/30/03/18/1129300318.db2.gz	FLNLVXVNBWJCQZ-CLFYSBASSA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000206429173	1129465657	/nfs/dbraw/zinc/46/56/57/1129465657.db2.gz	ZNTUNGCKZMYALL-XQRVVYSFSA-N	-1	0	289.312	3.566	20	30		CHEDRM
CCC(CC)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])SC	ZINC000743044026	1129512119	/nfs/dbraw/zinc/51/21/19/1129512119.db2.gz	CSQQFYGQMOUXOS-OQLLNIDSSA-N	-1	0	296.392	3.641	20	30		CHEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccccc1	ZINC000746366836	1129650454	/nfs/dbraw/zinc/65/04/54/1129650454.db2.gz	RNVAFGRKMIXMSA-GFCCVEGCSA-N	-1	0	282.343	3.976	20	30		CHEDRM
N#Cc1cc(-c2ccc(F)cc2[O-])nc2ccccc12	ZINC001242218468	1129688584	/nfs/dbraw/zinc/68/85/84/1129688584.db2.gz	VQBIVXWASGFNQV-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
N#CC12CCC(Nc3ccccc3/C=C/C(=O)[O-])(CC1)CC2	ZINC001169750843	1129752476	/nfs/dbraw/zinc/75/24/76/1129752476.db2.gz	NYUHFKSNSYCMPG-AATRIKPKSA-N	-1	0	296.370	3.813	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(C(=O)[O-])c2)C[C@@H]1c1ccccc1	ZINC000767745194	1129812199	/nfs/dbraw/zinc/81/21/99/1129812199.db2.gz	ZUZRNUIFPAAYSN-WBMJQRKESA-N	-1	0	294.354	3.976	20	30		CHEDRM
N#Cc1cccc(NC(=O)Nc2cccc(Cl)c2[O-])c1	ZINC001202786959	1129839444	/nfs/dbraw/zinc/83/94/44/1129839444.db2.gz	HPJLJTXHQDCCOH-UHFFFAOYSA-N	-1	0	287.706	3.561	20	30		CHEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119276073	1129847104	/nfs/dbraw/zinc/84/71/04/1129847104.db2.gz	QUKCSBUBBMBZGZ-GQCTYLIASA-N	-1	0	277.707	3.547	20	30		CHEDRM
O=C(/C=C\c1ccc(Cl)nc1)c1ccc([O-])c(Cl)c1	ZINC000768757646	1129872225	/nfs/dbraw/zinc/87/22/25/1129872225.db2.gz	PRECFIJISLOLSY-RJRFIUFISA-N	-1	0	294.137	3.990	20	30		CHEDRM
CCC[C@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000769589607	1129918376	/nfs/dbraw/zinc/91/83/76/1129918376.db2.gz	NLDAGCSAGOMLIW-CQSZACIVSA-N	-1	0	297.358	3.761	20	30		CHEDRM
CC(=NNc1ccc(C#N)c(Cl)c1)c1sccc1[O-]	ZINC000769800187	1129926381	/nfs/dbraw/zinc/92/63/81/1129926381.db2.gz	CKGSNINGVWURTF-UHFFFAOYSA-N	-1	0	291.763	3.815	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2cscc2Cl)c1	ZINC000771872313	1129992241	/nfs/dbraw/zinc/99/22/41/1129992241.db2.gz	UKLUWALWXKKTLL-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1	ZINC000802892060	1130059761	/nfs/dbraw/zinc/05/97/61/1130059761.db2.gz	YVQTVLJFLIFXFH-RBSFLKMASA-N	-1	0	298.386	3.809	20	30		CHEDRM
[O-]/N=C/c1ccc(-c2cccc(F)c2F)cc1F	ZINC001239707560	1130064298	/nfs/dbraw/zinc/06/42/98/1130064298.db2.gz	RQXRKELCEXOWDE-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000903106723	1130113845	/nfs/dbraw/zinc/11/38/45/1130113845.db2.gz	UORNFXABMBTXNE-MRVPVSSYSA-N	-1	0	285.174	3.653	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1csc(Cl)c1	ZINC000787146159	1130132739	/nfs/dbraw/zinc/13/27/39/1130132739.db2.gz	VZNKAYOBGXZOMI-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCC12CCCC2	ZINC000788701553	1130201928	/nfs/dbraw/zinc/20/19/28/1130201928.db2.gz	GQLDKTSVWKGPOT-UHFFFAOYSA-N	-1	0	258.321	3.507	20	30		CHEDRM
N#Cc1ccc(-c2ccc3oc(=S)[n-]c3c2)cc1F	ZINC001240155000	1130226717	/nfs/dbraw/zinc/22/67/17/1130226717.db2.gz	OMAUQQSMNYGFPC-UHFFFAOYSA-N	-1	0	270.288	3.794	20	30		CHEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccsc1	ZINC000749098435	1130263438	/nfs/dbraw/zinc/26/34/38/1130263438.db2.gz	ALIAREPMVBOWMU-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
CC[C@H](NN=C1CCCC[C@H](c2ccccc2)C1)C(=O)[O-]	ZINC000793058631	1130517419	/nfs/dbraw/zinc/51/74/19/1130517419.db2.gz	XHLHDYWOAFWDNR-HOCLYGCPSA-N	-1	0	288.391	3.543	20	30		CHEDRM
N#CCc1c[nH]c2cccc(-c3ccc(CC(=O)[O-])cc3)c12	ZINC001240975495	1130546101	/nfs/dbraw/zinc/54/61/01/1130546101.db2.gz	AYJWEMCYKZKWAB-UHFFFAOYSA-N	-1	0	290.322	3.528	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc2ccccc2c1C#N	ZINC001241000059	1130558559	/nfs/dbraw/zinc/55/85/59/1130558559.db2.gz	YGFGUIVOOYCUCS-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
N#C[C@@H]1CC[C@@H](Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234426989	1130643745	/nfs/dbraw/zinc/64/37/45/1130643745.db2.gz	NKDPAIHOBYCOGV-RKDXNWHRSA-N	-1	0	276.386	3.656	20	30		CHEDRM
N#Cc1ncccc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000811847031	1130654575	/nfs/dbraw/zinc/65/45/75/1130654575.db2.gz	WFPLECCCQWRWCJ-UHFFFAOYSA-N	-1	0	294.141	3.578	20	30		CHEDRM
CCSc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759716795	1130671456	/nfs/dbraw/zinc/67/14/56/1130671456.db2.gz	CYCQCDBPNLFHEE-UHFFFAOYSA-N	-1	0	298.367	3.628	20	30		CHEDRM
CC(=NOC1CCC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000812235184	1130675147	/nfs/dbraw/zinc/67/51/47/1130675147.db2.gz	AALKFDMUHGXIQB-UHFFFAOYSA-N	-1	0	299.326	3.938	20	30		CHEDRM
C=C[C@@H](CCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234814199	1130677435	/nfs/dbraw/zinc/67/74/35/1130677435.db2.gz	NPJGWPXZWJIRNV-LBPRGKRZSA-N	-1	0	274.316	3.541	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1ccc(F)c(F)c1	ZINC001234820229	1130678800	/nfs/dbraw/zinc/67/88/00/1130678800.db2.gz	SCTSDRKWEBCXME-SNVBAGLBSA-N	-1	0	277.270	3.913	20	30		CHEDRM
[O-]N=Cc1ccccc1O[C@H]1CCc2c1cc(F)cc2F	ZINC001234820058	1130679073	/nfs/dbraw/zinc/67/90/73/1130679073.db2.gz	RJCLHIPOISEKGF-INIZCTEOSA-N	-1	0	289.281	3.839	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1ccccc1F	ZINC001234823813	1130679992	/nfs/dbraw/zinc/67/99/92/1130679992.db2.gz	ZKXREQQPDOYNQH-NSHDSACASA-N	-1	0	259.280	3.774	20	30		CHEDRM
C=CCC[C@H](C(=O)[N-]OC/C=C\Cl)c1ccccc1	ZINC000812399833	1130686269	/nfs/dbraw/zinc/68/62/69/1130686269.db2.gz	VWTFPOWQUWINKK-JOHMGYAOSA-N	-1	0	279.767	3.537	20	30		CHEDRM
Cc1cc(C)c(CN=Nc2ccccc2C(=O)[O-])cc1C	ZINC000812445415	1130690804	/nfs/dbraw/zinc/69/08/04/1130690804.db2.gz	PYAZCYOEVBLDSP-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
CCOc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1	ZINC000812444393	1130691042	/nfs/dbraw/zinc/69/10/42/1130691042.db2.gz	FVWZZEQARQEUSG-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CC(C)c1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812442020	1130691084	/nfs/dbraw/zinc/69/10/84/1130691084.db2.gz	MQTFZNYUBPURJF-UHFFFAOYSA-N	-1	0	282.343	3.954	20	30		CHEDRM
COc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1CC#N	ZINC001235460018	1130747742	/nfs/dbraw/zinc/74/77/42/1130747742.db2.gz	ZTDIOFROEWEUPY-RUDMXATFSA-N	-1	0	293.322	3.526	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccccc2Cl)c1	ZINC000782199416	1130761796	/nfs/dbraw/zinc/76/17/96/1130761796.db2.gz	FCPWMLQOIWFBGH-WAYWQWQTSA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000782200725	1130761953	/nfs/dbraw/zinc/76/19/53/1130761953.db2.gz	NRXXXPMHQITNOU-ONEGZZNKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001235692115	1130770732	/nfs/dbraw/zinc/77/07/32/1130770732.db2.gz	QBHDYWBLWBJOGP-UDUXXYNTSA-N	-1	0	281.311	3.650	20	30		CHEDRM
O=C(/C=C\c1ccc2cnccc2c1)c1ccc([O-])c(F)c1	ZINC000782328719	1130773002	/nfs/dbraw/zinc/77/30/02/1130773002.db2.gz	XPEXTARQRVOTLC-DJWKRKHSSA-N	-1	0	293.297	3.976	20	30		CHEDRM
O=C(/C=C/c1ccc2cnccc2c1)c1ccc(O)cc1[O-]	ZINC000782342201	1130774027	/nfs/dbraw/zinc/77/40/27/1130774027.db2.gz	ORALMKQGYHIOLC-QHHAFSJGSA-N	-1	0	291.306	3.542	20	30		CHEDRM
COc1cc(-c2c(F)cc(F)c([O-])c2F)ccc1CC#N	ZINC001235998933	1130827025	/nfs/dbraw/zinc/82/70/25/1130827025.db2.gz	SZUGQGJZMSFWEM-UHFFFAOYSA-N	-1	0	293.244	3.551	20	30		CHEDRM
N#CCc1cc(-c2c(F)cc(F)c([O-])c2F)ccc1F	ZINC001235997545	1130827094	/nfs/dbraw/zinc/82/70/94/1130827094.db2.gz	QFTLOVDDZNPCJE-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000783769696	1130854227	/nfs/dbraw/zinc/85/42/27/1130854227.db2.gz	IFFPRKQLWUICQR-YPMHNXCESA-N	-1	0	260.337	3.609	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2cccc(F)c2)c(Cl)c1	ZINC000783831008	1130855617	/nfs/dbraw/zinc/85/56/17/1130855617.db2.gz	GGVGYPAHXNTXAU-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CC[C@H](CN=Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000814680180	1130893923	/nfs/dbraw/zinc/89/39/23/1130893923.db2.gz	DQSZTCNSTJNTLE-CYBMUJFWSA-N	-1	0	282.343	3.976	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(Cl)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814683746	1130895648	/nfs/dbraw/zinc/89/56/48/1130895648.db2.gz	OGBAOHPUHBTXNH-NXEZZACHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccccc1F	ZINC000814789599	1130911240	/nfs/dbraw/zinc/91/12/40/1130911240.db2.gz	KKHDXIXMCVBGMT-UHFFFAOYSA-N	-1	0	286.306	3.587	20	30		CHEDRM
CCc1ccccc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814802265	1130912523	/nfs/dbraw/zinc/91/25/23/1130912523.db2.gz	ZCIGCTIAHMHWDS-AAEUAGOBSA-N	-1	0	274.364	3.538	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncccc1Cl	ZINC000814810351	1130919921	/nfs/dbraw/zinc/91/99/21/1130919921.db2.gz	IXSNEVWYWYKNOI-UHFFFAOYSA-N	-1	0	297.786	3.948	20	30		CHEDRM
O=C([O-])C1CCC(N=Nc2c(F)cccc2Cl)CC1	ZINC000814905130	1130933759	/nfs/dbraw/zinc/93/37/59/1130933759.db2.gz	PAQQQNRMEZYSNP-UHFFFAOYSA-N	-1	0	284.718	3.522	20	30		CHEDRM
CC(=NNc1c(C)cccc1F)c1csc(C(=O)[O-])c1	ZINC000814905363	1130934262	/nfs/dbraw/zinc/93/42/62/1130934262.db2.gz	VHJXWTBPNLWDOA-UHFFFAOYSA-N	-1	0	292.335	3.730	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NOC/C=C/Cl	ZINC000814934389	1130938656	/nfs/dbraw/zinc/93/86/56/1130938656.db2.gz	SYZRVBWBCKECKX-QXPAZZFISA-N	-1	0	261.749	3.557	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@@H]1CCCC1(C)C	ZINC000814917779	1130941471	/nfs/dbraw/zinc/94/14/71/1130941471.db2.gz	RAIIKUJWXPSWQE-OAHLLOKOSA-N	-1	0	288.391	3.504	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@H]1CCCC1(C)C	ZINC000814917778	1130941779	/nfs/dbraw/zinc/94/17/79/1130941779.db2.gz	RAIIKUJWXPSWQE-HNNXBMFYSA-N	-1	0	288.391	3.504	20	30		CHEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccc(F)cc1	ZINC000748002757	1130992835	/nfs/dbraw/zinc/99/28/35/1130992835.db2.gz	OEYSSOIRNAJLOV-NSHDSACASA-N	-1	0	298.317	3.535	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)N[C@](C)(CCCCCC)C(=O)[O-]	ZINC000799244687	1131077715	/nfs/dbraw/zinc/07/77/15/1131077715.db2.gz	GIPGOSUBPGCLJO-XJKSGUPXSA-N	-1	0	283.412	3.519	20	30		CHEDRM
Cc1cc(C)cc(NC(=O)Nc2ccc(C#N)cc2O)c1	ZINC001202848693	1131527990	/nfs/dbraw/zinc/52/79/90/1131527990.db2.gz	DETPCDRJWOEJHE-UHFFFAOYSA-N	-1	0	281.315	3.525	20	30		CHEDRM
Cc1c(N=NC[C@H](C)CC(C)C)cccc1C(=O)[O-]	ZINC000844622500	1131586222	/nfs/dbraw/zinc/58/62/22/1131586222.db2.gz	DXNNZXCOWCPKMK-LLVKDONJSA-N	-1	0	262.353	3.773	20	30		CHEDRM
C=CCCC(N=Nc1cccc(C(=O)[O-])c1C)C1CC1	ZINC000844625085	1131586730	/nfs/dbraw/zinc/58/67/30/1131586730.db2.gz	VMMRFIJAEXWQNJ-UHFFFAOYSA-N	-1	0	272.348	3.837	20	30		CHEDRM
COCC(C)(C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000793653874	1131706542	/nfs/dbraw/zinc/70/65/42/1131706542.db2.gz	JHLPYFLTMUDYDK-OMCISZLKSA-N	-1	0	290.190	3.791	20	30		CHEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl	ZINC000846539293	1131714560	/nfs/dbraw/zinc/71/45/60/1131714560.db2.gz	DVVUFKKUUVITHB-VIFPVBQESA-N	-1	0	288.174	3.721	20	30		CHEDRM
CC[C@@H](C)CCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000834915225	1131734014	/nfs/dbraw/zinc/73/40/14/1131734014.db2.gz	HJUWHYIGOPXSHA-SECBINFHSA-N	-1	0	268.744	3.872	20	30		CHEDRM
CC(C)CC[C@H]1CCC(=NNc2cnnc([O-])c2Cl)C1	ZINC000834937014	1131736576	/nfs/dbraw/zinc/73/65/76/1131736576.db2.gz	GVTWODFGQRULGR-JTQLQIEISA-N	-1	0	296.802	3.840	20	30		CHEDRM
CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)C1CCCCC1	ZINC001171256528	1131753692	/nfs/dbraw/zinc/75/36/92/1131753692.db2.gz	WRLLESZWAHUUIE-UHFFFAOYSA-N	-1	0	286.375	3.575	20	30		CHEDRM
CC(C)(C)[C@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009720	1131754118	/nfs/dbraw/zinc/75/41/18/1131754118.db2.gz	YZEFDHNQDBJFKS-NSHDSACASA-N	-1	0	278.327	3.748	20	30		CHEDRM
C=CC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009860	1131754217	/nfs/dbraw/zinc/75/42/17/1131754217.db2.gz	FZRDBSRDMSXPMJ-VIFPVBQESA-N	-1	0	264.300	3.524	20	30		CHEDRM
CCc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000835011600	1131755432	/nfs/dbraw/zinc/75/54/32/1131755432.db2.gz	RDJKJGYJOIYKCW-AAEUAGOBSA-N	-1	0	274.364	3.538	20	30		CHEDRM
CCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000835041725	1131762014	/nfs/dbraw/zinc/76/20/14/1131762014.db2.gz	ZWCWVFAZYHJORU-MARXPDLDSA-N	-1	0	294.354	3.724	20	30		CHEDRM
CCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000835041728	1131763052	/nfs/dbraw/zinc/76/30/52/1131763052.db2.gz	ZWCWVFAZYHJORU-RBJHHQRMSA-N	-1	0	294.354	3.724	20	30		CHEDRM
C=CC[C@@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228387180	1131873516	/nfs/dbraw/zinc/87/35/16/1131873516.db2.gz	KZXLBCKUKDQDQX-GFCCVEGCSA-N	-1	0	276.723	3.532	20	30		CHEDRM
C=C[C@H](CC)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229798369	1132119065	/nfs/dbraw/zinc/11/90/65/1132119065.db2.gz	WTCGPJOLPMFLFS-GFCCVEGCSA-N	-1	0	296.322	3.995	20	30		CHEDRM
C=CC[C@@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230018131	1132145398	/nfs/dbraw/zinc/14/53/98/1132145398.db2.gz	NUZPQFOQJYRJAS-LLVKDONJSA-N	-1	0	276.723	3.532	20	30		CHEDRM
CC#CC[C@H](CC)Oc1cccc2oc(=S)[n-]c21	ZINC001231064606	1132250188	/nfs/dbraw/zinc/25/01/88/1132250188.db2.gz	GRAXJTMWGIGFHY-JTQLQIEISA-N	-1	0	261.346	3.687	20	30		CHEDRM
CC1(C)COC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840708592	1132273067	/nfs/dbraw/zinc/27/30/67/1132273067.db2.gz	HEZYAMLRYRYPNM-QFSIEVOISA-N	-1	0	288.174	3.543	20	30		CHEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1F	ZINC000842535485	1132438648	/nfs/dbraw/zinc/43/86/48/1132438648.db2.gz	GXINSUIWVXSJAF-WOPDTQHZSA-N	-1	0	288.322	3.524	20	30		CHEDRM
CCCCCCCCC[C@H](CCC)NCS(=O)(=O)[O-]	ZINC001173283923	1132456271	/nfs/dbraw/zinc/45/62/71/1132456271.db2.gz	AKUKOTUUGYVZRD-AWEZNQCLSA-N	-1	0	293.473	3.731	20	30		CHEDRM
N#Cc1sccc1NC(=O)c1c([O-])ccc2ccccc21	ZINC001153499095	1132595225	/nfs/dbraw/zinc/59/52/25/1132595225.db2.gz	NZPXZALSQATART-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
C=CCC[C@@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835506	1132687197	/nfs/dbraw/zinc/68/71/97/1132687197.db2.gz	ZRNWTAZGRLBSSK-GFCCVEGCSA-N	-1	0	274.316	3.622	20	30		CHEDRM
C=C[C@H](CCCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835494	1132687389	/nfs/dbraw/zinc/68/73/89/1132687389.db2.gz	ZHCGOUWEPILFKS-GFCCVEGCSA-N	-1	0	274.316	3.622	20	30		CHEDRM
Cc1sc(Nc2ccc(C(=O)[O-])cc2F)c(C#N)c1C	ZINC001203286402	1133309764	/nfs/dbraw/zinc/30/97/64/1133309764.db2.gz	QFTFAFFIDXSOPJ-UHFFFAOYSA-N	-1	0	290.319	3.818	20	30		CHEDRM
C#Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1F	ZINC001203333246	1133315786	/nfs/dbraw/zinc/31/57/86/1133315786.db2.gz	AUBPZCPFEZMIGG-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
N#CCCc1cccc(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205087654	1133526233	/nfs/dbraw/zinc/52/62/33/1133526233.db2.gz	DWKSIHNIQWBZRP-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
Cc1cc(-c2ccc(F)c(C(=O)[O-])c2F)cc(F)c1C#N	ZINC001205099887	1133528686	/nfs/dbraw/zinc/52/86/86/1133528686.db2.gz	BUXUHHDNTILSJK-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1csc(C(=O)[O-])c1	ZINC001206250689	1133676815	/nfs/dbraw/zinc/67/68/15/1133676815.db2.gz	RIXJMFQCNXANSE-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#CCc1cc2ccccc2nc1-c1csc(C(=O)[O-])c1	ZINC001206264668	1133678811	/nfs/dbraw/zinc/67/88/11/1133678811.db2.gz	BISFKDFUFCQAGO-UHFFFAOYSA-N	-1	0	294.335	3.728	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1cc(F)c([O-])cc1F	ZINC001206762507	1133744806	/nfs/dbraw/zinc/74/48/06/1133744806.db2.gz	ZKAPUZOCLTZGBU-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001209888965	1134096119	/nfs/dbraw/zinc/09/61/19/1134096119.db2.gz	IIBDISYMTGIAAZ-JTQLQIEISA-N	-1	0	284.290	3.895	20	30		CHEDRM
COc1ccc(Nc2c(C)cc(C#N)cc2C)cc1C(=O)[O-]	ZINC001209903476	1134099477	/nfs/dbraw/zinc/09/94/77/1134099477.db2.gz	PEVHEFULGCSDHA-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(CC#N)cc1	ZINC001210007269	1134121311	/nfs/dbraw/zinc/12/13/11/1134121311.db2.gz	AUVIBMFOAXBWMQ-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
Cc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1F	ZINC001210036878	1134129654	/nfs/dbraw/zinc/12/96/54/1134129654.db2.gz	BQXHQPJIOVANTM-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
N#Cc1cc(Nc2ccc3cnccc3c2)c([O-])cc1F	ZINC001210052630	1134137466	/nfs/dbraw/zinc/13/74/66/1134137466.db2.gz	QNYQQAIFXWIWKU-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(Cl)cc(C#N)c1	ZINC001210537378	1134241884	/nfs/dbraw/zinc/24/18/84/1134241884.db2.gz	WIYNSTKLYYEFFZ-UHFFFAOYSA-N	-1	0	275.720	3.594	20	30		CHEDRM
N#Cc1ccc(Nc2ccccc2C(=O)[O-])c2cccnc12	ZINC001210970000	1134341684	/nfs/dbraw/zinc/34/16/84/1134341684.db2.gz	VXJHADFPDWTQOS-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
N#CCc1cccc(-c2cc(F)c([O-])cc2F)c1F	ZINC001211338566	1134409964	/nfs/dbraw/zinc/40/99/64/1134409964.db2.gz	FUGOSSAPGHGPHO-UHFFFAOYSA-N	-1	0	263.218	3.543	20	30		CHEDRM
Cc1ccc(-c2cc(F)c([O-])cc2F)c(C)c1C#N	ZINC001211352983	1134411152	/nfs/dbraw/zinc/41/11/52/1134411152.db2.gz	QBLQHRHHPMQYNB-UHFFFAOYSA-N	-1	0	259.255	3.826	20	30		CHEDRM
Cc1nc2ccc(Nc3cc(C#N)c(F)cc3[O-])cc2o1	ZINC001213068671	1134419774	/nfs/dbraw/zinc/41/97/74/1134419774.db2.gz	WTEOHNXBLMFTLY-UHFFFAOYSA-N	-1	0	283.262	3.596	20	30		CHEDRM
COc1cc(Nc2cc(C#N)c(C)cc2C)cc(C(=O)[O-])c1	ZINC001213599782	1134467624	/nfs/dbraw/zinc/46/76/24/1134467624.db2.gz	YDCXABXLBDPUMF-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213632118	1134471391	/nfs/dbraw/zinc/47/13/91/1134471391.db2.gz	WFIIOSNEOZZVPO-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
CCCOc1cc(F)ccc1Nc1scc([O-])c1C#N	ZINC001214079742	1134509547	/nfs/dbraw/zinc/50/95/47/1134509547.db2.gz	PUCWBYCMJYQORL-UHFFFAOYSA-N	-1	0	292.335	3.997	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cccc(CC#N)c1	ZINC001214276360	1134526874	/nfs/dbraw/zinc/52/68/74/1134526874.db2.gz	BIJHDGILOGKGFO-UHFFFAOYSA-N	-1	0	296.326	3.593	20	30		CHEDRM
N#Cc1ccccc1Nc1c(Cl)ccc([O-])c1F	ZINC001214560037	1134552368	/nfs/dbraw/zinc/55/23/68/1134552368.db2.gz	ZGTSHKOPCFFKEB-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214799305	1134575673	/nfs/dbraw/zinc/57/56/73/1134575673.db2.gz	QLXIJHLZHNNEOX-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)c1	ZINC001215152372	1134602133	/nfs/dbraw/zinc/60/21/33/1134602133.db2.gz	VMVFWRNRWAQSLT-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2ccsc2C(=O)[O-])c1	ZINC001215394310	1134623254	/nfs/dbraw/zinc/62/32/54/1134623254.db2.gz	UMORYRPKCUMALS-UHFFFAOYSA-N	-1	0	286.356	3.991	20	30		CHEDRM
C#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1F	ZINC001215471697	1134630448	/nfs/dbraw/zinc/63/04/48/1134630448.db2.gz	YHXBLDYLJDDDNX-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
N#Cc1ccccc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215699016	1134661591	/nfs/dbraw/zinc/66/15/91/1134661591.db2.gz	YGPGHBQDYUQQRG-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CC(C)c1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1O	ZINC001215848676	1134702862	/nfs/dbraw/zinc/70/28/62/1134702862.db2.gz	KUJAWRCBAZYXIM-UHFFFAOYSA-N	-1	0	286.306	3.976	20	30		CHEDRM
CSc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C)n1	ZINC001215910570	1134716588	/nfs/dbraw/zinc/71/65/88/1134716588.db2.gz	MWHQXXVHVNHYCI-UHFFFAOYSA-N	-1	0	289.335	3.572	20	30		CHEDRM
Cc1nc(OC(C)C)ccc1Nc1scc([O-])c1C#N	ZINC001215918615	1134719392	/nfs/dbraw/zinc/71/93/92/1134719392.db2.gz	IMDBTRRAGLLQMH-UHFFFAOYSA-N	-1	0	289.360	3.560	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(N)c(C(F)(F)F)c1	ZINC001216050126	1134761065	/nfs/dbraw/zinc/76/10/65/1134761065.db2.gz	HQEUDLHQCAWSGO-UHFFFAOYSA-N	-1	0	299.277	3.670	20	30		CHEDRM
Cc1ccc(Nc2ccc(F)c(F)c2[O-])cc1C#N	ZINC001216076956	1134767965	/nfs/dbraw/zinc/76/79/65/1134767965.db2.gz	PVHQUJRAALGIJE-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
CC(C)(C)c1nc([N-]c2cccc(Cl)c2C#N)no1	ZINC001216124401	1134786294	/nfs/dbraw/zinc/78/62/94/1134786294.db2.gz	VAPDJXQVILFCQY-UHFFFAOYSA-N	-1	0	276.727	3.636	20	30		CHEDRM
Cc1cc(Cl)ncc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001216280628	1134835083	/nfs/dbraw/zinc/83/50/83/1134835083.db2.gz	BDXQFKYKCBXAKH-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
Cc1oc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c(C#N)c1C	ZINC001216309840	1134845888	/nfs/dbraw/zinc/84/58/88/1134845888.db2.gz	MTOGSESVXPHMSR-UHFFFAOYSA-N	-1	0	284.315	3.827	20	30		CHEDRM
CC(C)(C)c1nsc([N-]c2cccc(C#N)c2F)n1	ZINC001216412442	1134887158	/nfs/dbraw/zinc/88/71/58/1134887158.db2.gz	CRNRHFUWXTVOPC-UHFFFAOYSA-N	-1	0	276.340	3.590	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cccc(C(=O)[O-])c2C)c1	ZINC001216660529	1134940881	/nfs/dbraw/zinc/94/08/81/1134940881.db2.gz	LGEMYTUIVYYDNO-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1C	ZINC001216660842	1134941277	/nfs/dbraw/zinc/94/12/77/1134941277.db2.gz	UJJZMIFOPRPSLY-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1c(Nc2cccc(Cl)c2C#N)cccc1C(=O)[O-]	ZINC001216661139	1134941653	/nfs/dbraw/zinc/94/16/53/1134941653.db2.gz	AICUFUJPPLZBJU-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1c(Nc2cc(F)c(F)c(C#N)c2)cccc1C(=O)[O-]	ZINC001216662130	1134943109	/nfs/dbraw/zinc/94/31/09/1134943109.db2.gz	ZPTQAQYWDOIIIU-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCc1cccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1	ZINC001216969951	1134955945	/nfs/dbraw/zinc/95/59/45/1134955945.db2.gz	VGZOTKBXWOKLQJ-UHFFFAOYSA-N	-1	0	291.310	3.543	20	30		CHEDRM
N#Cc1cccc(-c2nc(-c3ccccc3Cl)no2)c1[O-]	ZINC001216978781	1134957017	/nfs/dbraw/zinc/95/70/17/1134957017.db2.gz	KOPSRHOISYHPQW-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
N#CCCc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001222679044	1135263794	/nfs/dbraw/zinc/26/37/94/1135263794.db2.gz	SDPWYZUAZMRWPN-UHFFFAOYSA-N	-1	0	291.350	3.926	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1	ZINC001225620110	1135598000	/nfs/dbraw/zinc/59/80/00/1135598000.db2.gz	MRPPADYEDRPBJJ-WFASDCNBSA-N	-1	0	289.331	3.980	20	30		CHEDRM
C#C[C@H](CCCCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225880266	1135633070	/nfs/dbraw/zinc/63/30/70/1135633070.db2.gz	SGEBAFSNKGZUGP-MRVPVSSYSA-N	-1	0	290.256	3.910	20	30		CHEDRM
C=CCC(CC=C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226065035	1135658840	/nfs/dbraw/zinc/65/88/40/1135658840.db2.gz	RPGZORKHBHUVDV-UHFFFAOYSA-N	-1	0	298.264	3.577	20	30		CHEDRM
COc1cccc([C@@H](C)Oc2cccc(/C=N/O)c2)c1	ZINC001226113828	1135664354	/nfs/dbraw/zinc/66/43/54/1135664354.db2.gz	ALTXMNNNARRESL-PBSOMRJOSA-N	-1	0	271.316	3.643	20	30		CHEDRM
C=CC[C@H](CCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556438	1135712695	/nfs/dbraw/zinc/71/26/95/1135712695.db2.gz	NMONOLLBOSZUDX-SECBINFHSA-N	-1	0	293.754	3.507	20	30		CHEDRM
C=CCC[C@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605909	1135850074	/nfs/dbraw/zinc/85/00/74/1135850074.db2.gz	SEYICNDPIPBQFW-ZETCQYMHSA-N	-1	0	277.151	3.613	20	30		CHEDRM
C[C@H]1CC(=O)CC[C@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329001860	227254644	/nfs/dbraw/zinc/25/46/44/227254644.db2.gz	WBQQCYOVGJIENG-IONNQARKSA-N	-1	0	294.401	3.951	20	30		CHEDRM
N#Cc1csc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)c1	ZINC000352004536	228173785	/nfs/dbraw/zinc/17/37/85/228173785.db2.gz	AIZVIAPYUSSPBQ-SNAWJCMRSA-N	-1	0	296.307	3.630	20	30		CHEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000058072139	262350505	/nfs/dbraw/zinc/35/05/05/262350505.db2.gz	BBHBXKVAXVCPDZ-UHFFFAOYSA-N	-1	0	287.425	3.576	20	30		CHEDRM
CCCc1occc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000342650560	263466669	/nfs/dbraw/zinc/46/66/69/263466669.db2.gz	XCOJYSSPWJBTPZ-GFCCVEGCSA-N	-1	0	293.326	3.598	20	30		CHEDRM
CC1CCC(C)(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000331204891	264160724	/nfs/dbraw/zinc/16/07/24/264160724.db2.gz	SGLOXYICRHQFRX-UHFFFAOYSA-N	-1	0	292.335	3.574	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C2CC2)n1	ZINC000357508814	266313082	/nfs/dbraw/zinc/31/30/82/266313082.db2.gz	GBXSLZIPNQDUFB-LLVKDONJSA-N	-1	0	288.397	3.881	20	30		CHEDRM
C[C@H]1CC[C@@H](C([O-])=Nc2nc3ccsc3s2)O1	ZINC000330081540	533687085	/nfs/dbraw/zinc/68/70/85/533687085.db2.gz	JZYZQRIKNLKAQV-XPUUQOCRSA-N	-1	0	268.363	3.513	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccsc2)n1	ZINC000080457781	330131235	/nfs/dbraw/zinc/13/12/35/330131235.db2.gz	NLSWURHKDSSBRI-JTQLQIEISA-N	-1	0	276.386	3.818	20	30		CHEDRM
CC(=Cc1ccc(C(C)C)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435337862	330653008	/nfs/dbraw/zinc/65/30/08/330653008.db2.gz	YVUDRRMZYWMPBE-XFXZXTDPSA-N	-1	0	293.370	3.634	20	30		CHEDRM
C=C(C)CN(CC)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000125715448	333570264	/nfs/dbraw/zinc/57/02/64/333570264.db2.gz	GHDCMOGIUZGULK-UHFFFAOYSA-N	-1	0	288.174	3.737	20	30		CHEDRM
C=CCC[C@H]([NH2+]Cc1ncccc1O)c1ccccc1	ZINC000564301207	334021997	/nfs/dbraw/zinc/02/19/97/334021997.db2.gz	IPKRASWEZXTUMQ-HNNXBMFYSA-N	-1	0	268.360	3.584	20	30		CHEDRM
CC1CC(C#N)(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC000546617152	334040661	/nfs/dbraw/zinc/04/06/61/334040661.db2.gz	WIUPCRPSOQUOGE-UHFFFAOYSA-N	-1	0	299.157	3.577	20	30		CHEDRM
C=CCCCN(C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000080029276	334165306	/nfs/dbraw/zinc/16/53/06/334165306.db2.gz	MKHBXGHQXFTXKV-UHFFFAOYSA-N	-1	0	288.174	3.737	20	30		CHEDRM
C=CCOc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1	ZINC000556282705	334506015	/nfs/dbraw/zinc/50/60/15/334506015.db2.gz	ZQCFXZRUANAHTI-ZZXKWVIFSA-N	-1	0	281.311	3.515	20	30		CHEDRM
CC(C)c1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000736521208	600590152	/nfs/dbraw/zinc/59/01/52/600590152.db2.gz	LZCHAAHAYIIPFG-QGZVFWFLSA-N	-1	0	294.354	3.919	20	30		CHEDRM
CCCCCC[C@H](C)NN=Cc1cc(C(=O)[O-])c(C)o1	ZINC000829357717	600724247	/nfs/dbraw/zinc/72/42/47/600724247.db2.gz	VAQMSSJQABYCHL-NSHDSACASA-N	-1	0	280.368	3.569	20	30		CHEDRM
N#Cc1ccc([C@@H](Sc2ccc(F)cc2)C(=O)[O-])cc1	ZINC000739116658	600935525	/nfs/dbraw/zinc/93/55/25/600935525.db2.gz	BNTMGZUNKTVGDN-CQSZACIVSA-N	-1	0	287.315	3.615	20	30		CHEDRM
N#Cc1ccc(S[C@@H](C(=O)[O-])c2ccccc2)c(F)c1	ZINC000738434814	600986746	/nfs/dbraw/zinc/98/67/46/600986746.db2.gz	PACZXOYWILCRJP-CQSZACIVSA-N	-1	0	287.315	3.615	20	30		CHEDRM
CC(C)c1ccc([C@@H](C)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1	ZINC000827117609	601337163	/nfs/dbraw/zinc/33/71/63/601337163.db2.gz	DYOBQOZNFIWMFR-GFCCVEGCSA-N	-1	0	299.374	3.521	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc3c(s2)CCC3)cc1	ZINC000764431242	602148558	/nfs/dbraw/zinc/14/85/58/602148558.db2.gz	CMRPNQSCGLAEJE-RMKNXTFCSA-N	-1	0	298.363	3.831	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cc3c(s2)CCC3)cc1	ZINC000764431244	602148841	/nfs/dbraw/zinc/14/88/41/602148841.db2.gz	CMRPNQSCGLAEJE-TWGQIWQCSA-N	-1	0	298.363	3.831	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000823491578	604048675	/nfs/dbraw/zinc/04/86/75/604048675.db2.gz	XKGVGJSBEHDXES-UHFFFAOYSA-N	-1	0	292.310	3.623	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000832967102	604630009	/nfs/dbraw/zinc/63/00/09/604630009.db2.gz	BZROPRHQKTZWRI-BJMVGYQFSA-N	-1	0	266.296	3.589	20	30		CHEDRM
CC(=NNc1cccc(C)c1)c1ccc(C(=O)[O-])cc1	ZINC000825809301	604632941	/nfs/dbraw/zinc/63/29/41/604632941.db2.gz	SJEIFNHMMZKCET-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
Cc1cc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1C	ZINC000763368937	604668556	/nfs/dbraw/zinc/66/85/56/604668556.db2.gz	QPTUXVLPEJKARO-UHFFFAOYSA-N	-1	0	297.358	3.541	20	30		CHEDRM
C=C[C@H](CC(=O)Oc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833371929	604762939	/nfs/dbraw/zinc/76/29/39/604762939.db2.gz	XAWKLQNPFOWNHN-CYBMUJFWSA-N	-1	0	296.322	3.650	20	30		CHEDRM
CC(C)(C#N)CCCOc1cc(Cl)ccc1C(=O)[O-]	ZINC000087596451	604810776	/nfs/dbraw/zinc/81/07/76/604810776.db2.gz	YEVMKBBMYSLAQO-UHFFFAOYSA-N	-1	0	281.739	3.747	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1sccc1C	ZINC000733744603	605099582	/nfs/dbraw/zinc/09/95/82/605099582.db2.gz	NMNPXPMWSKLVAF-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
C=CCC(CC=C)C(=O)OCc1ccc(NC(=O)[O-])cc1	ZINC000833371816	605303153	/nfs/dbraw/zinc/30/31/53/605303153.db2.gz	WZMFOFBTRPJABH-UHFFFAOYSA-N	-1	0	289.331	3.588	20	30		CHEDRM
C[C@H]1CCCC[C@H]1CN=Nc1cccc(C(=O)[O-])c1	ZINC000783772086	605329126	/nfs/dbraw/zinc/32/91/26/605329126.db2.gz	JOUBCHOQBPCTKW-AAEUAGOBSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C#CCCCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833361738	605607207	/nfs/dbraw/zinc/60/72/07/605607207.db2.gz	JPHYQSREBWYGAJ-UHFFFAOYSA-N	-1	0	293.750	3.560	20	30		CHEDRM
CCCCCCCCCC(=O)NC1(C(=O)[O-])CCCC1	ZINC000059213260	939031728	/nfs/dbraw/zinc/03/17/28/939031728.db2.gz	IRYXLGMABHFULC-UHFFFAOYSA-N	-1	0	283.412	3.641	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccsc1C(=O)[O-]	ZINC000059082232	957559773	/nfs/dbraw/zinc/55/97/73/957559773.db2.gz	GSXQMRDWMADQMB-UHFFFAOYSA-N	-1	0	269.366	3.745	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001573841247	961077289	/nfs/dbraw/zinc/07/72/89/961077289.db2.gz	RMDTTYSUVRFQHT-HUUCEWRRSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CC(C)(C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001573347242	962947016	/nfs/dbraw/zinc/94/70/16/962947016.db2.gz	KAACXMQWVQNGCO-AWEZNQCLSA-N	-1	0	288.343	3.518	20	30		CHEDRM
C=CCCC[C@H](Nc1ccc(C(=O)[O-])nn1)c1ccccc1	ZINC001573364654	963049331	/nfs/dbraw/zinc/04/93/31/963049331.db2.gz	ACUGGNFHOPIJJQ-AWEZNQCLSA-N	-1	0	297.358	3.684	20	30		CHEDRM
CC(C)c1ccc(C=NOCc2ccc(C(=O)[O-])o2)cc1	ZINC001591953345	976516717	/nfs/dbraw/zinc/51/67/17/976516717.db2.gz	YERCSXAGUMPBSX-UHFFFAOYSA-N	-1	0	287.315	3.652	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccc(Cl)c2)c1	ZINC000765824503	978723832	/nfs/dbraw/zinc/72/38/32/978723832.db2.gz	MLFBZZRCRJYVTA-FPLPWBNLSA-N	-1	0	286.714	3.934	20	30		CHEDRM
CC(CCCC(F)(F)F)N=Nc1ccccc1C(=O)[O-]	ZINC000774347987	978746907	/nfs/dbraw/zinc/74/69/07/978746907.db2.gz	HYWLHMKWNCEFNN-UHFFFAOYSA-N	-1	0	288.269	3.905	20	30		CHEDRM
C[C@H]1C(N=Nc2ccccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814690972	978873666	/nfs/dbraw/zinc/87/36/66/978873666.db2.gz	HHKGXJATMOSLFU-ZJUUUORDSA-N	-1	0	280.755	3.629	20	30		CHEDRM
CSc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000834998430	979243230	/nfs/dbraw/zinc/24/32/30/979243230.db2.gz	HDBHQVKADKYYNS-MNOVXSKESA-N	-1	0	292.404	3.697	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000851626076	979561780	/nfs/dbraw/zinc/56/17/80/979561780.db2.gz	FHBUCMNTLKAICQ-UHFFFAOYSA-N	-1	0	295.766	3.513	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910947584	982172594	/nfs/dbraw/zinc/17/25/94/982172594.db2.gz	HVRQRIROQVORIR-HNNXBMFYSA-N	-1	0	293.388	3.648	20	30		CHEDRM
CCCCCCC[C@H](C)CNc1ccc(C(=O)[O-])nn1	ZINC001595704959	982281563	/nfs/dbraw/zinc/28/15/63/982281563.db2.gz	LZCDQQXJOZFTLG-LBPRGKRZSA-N	-1	0	279.384	3.583	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001595705054	982281876	/nfs/dbraw/zinc/28/18/76/982281876.db2.gz	OVLWSEINKILLMR-UKRRQHHQSA-N	-1	0	295.423	3.663	20	30		CHEDRM
CCCCCCCc1nc(-c2cc(C(=O)[O-])co2)no1	ZINC001595709063	982290057	/nfs/dbraw/zinc/29/00/57/982290057.db2.gz	RUXPRFBSXMHTSJ-UHFFFAOYSA-N	-1	0	278.308	3.541	20	30		CHEDRM
C=C(C)C[C@H](Nc1nc2c(cc(C)cc2C)s1)C(=O)[O-]	ZINC001588555158	983633387	/nfs/dbraw/zinc/63/33/87/983633387.db2.gz	ZXMSSWCFYYNFCK-NSHDSACASA-N	-1	0	290.388	3.744	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CCCCC)C(C)(C)C	ZINC001588622285	983722867	/nfs/dbraw/zinc/72/28/67/983722867.db2.gz	TXECRBGDHLGFDG-CYBMUJFWSA-N	-1	0	283.412	3.519	20	30		CHEDRM
C=C(CNc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1	ZINC001588637363	983760044	/nfs/dbraw/zinc/76/00/44/983760044.db2.gz	MMFHKTWGRFOXGR-UHFFFAOYSA-N	-1	0	294.763	3.620	20	30		CHEDRM
C=C[C@H](Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)[O-]	ZINC001588702336	983919808	/nfs/dbraw/zinc/91/98/08/983919808.db2.gz	QIJYSCQYHCUDHD-ZDUSSCGKSA-N	-1	0	271.316	3.615	20	30		CHEDRM
C=C[C@@H](Sc1nc(C2CCCCC2)cs1)C(=O)[O-]	ZINC001588714190	983950393	/nfs/dbraw/zinc/95/03/93/983950393.db2.gz	BEVYFLZGXFVVQG-LLVKDONJSA-N	-1	0	283.418	3.922	20	30		CHEDRM
C=CC1(CC(=O)Nc2cc(C(=O)[O-])cs2)CCCCC1	ZINC001588718577	983956973	/nfs/dbraw/zinc/95/69/73/983956973.db2.gz	CZKHUCVFOJLQDN-UHFFFAOYSA-N	-1	0	293.388	3.911	20	30		CHEDRM
C=CC[C@H](C(=O)[O-])N1C[C@@H](C(C)(C)C)Cc2ccccc21	ZINC001588728458	983983002	/nfs/dbraw/zinc/98/30/02/983983002.db2.gz	KDEUKLUXARTYCL-GOEBONIOSA-N	-1	0	287.403	3.741	20	30		CHEDRM
C=CC[C@H](C(=O)[O-])N1C[C@H](C(C)(C)C)Cc2ccccc21	ZINC001588728455	983983014	/nfs/dbraw/zinc/98/30/14/983983014.db2.gz	KDEUKLUXARTYCL-GDBMZVCRSA-N	-1	0	287.403	3.741	20	30		CHEDRM
C=CCC1(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)CCCC1	ZINC001588764992	984124657	/nfs/dbraw/zinc/12/46/57/984124657.db2.gz	OTJXRTJNDLPORB-LLVKDONJSA-N	-1	0	292.331	3.719	20	30		CHEDRM
C=CCC[C@H](C)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001588777570	984156787	/nfs/dbraw/zinc/15/67/87/984156787.db2.gz	DKMKSBYIJSRXJL-STQMWFEESA-N	-1	0	261.365	3.716	20	30		CHEDRM
C=CCCC[C@H](NC(=O)C(C)(C)C1CCCCC1)C(=O)[O-]	ZINC001588786597	984183831	/nfs/dbraw/zinc/18/38/31/984183831.db2.gz	QCJKVGAVCZUWLV-AWEZNQCLSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)c1cccc(C(=O)[O-])c1	ZINC001588817416	984276157	/nfs/dbraw/zinc/27/61/57/984276157.db2.gz	KFYJVWOAGNGKNP-UHFFFAOYSA-N	-1	0	295.338	3.756	20	30		CHEDRM
Cc1ccc(N=NC(C)C2CCCC2)cc1C(=O)[O-]	ZINC001589016386	984994401	/nfs/dbraw/zinc/99/44/01/984994401.db2.gz	KKFXBRLHELNGLE-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
CC(C)(CCC#N)CNc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC001590655813	990351582	/nfs/dbraw/zinc/35/15/82/990351582.db2.gz	DPTVICOJIDZISS-UHFFFAOYSA-N	-1	0	285.347	3.608	20	30		CHEDRM
C[C@@H](Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(C#N)c1	ZINC001593359615	995020089	/nfs/dbraw/zinc/02/00/89/995020089.db2.gz	JYWIOYULIDLVJO-SNVBAGLBSA-N	-1	0	284.290	3.569	20	30		CHEDRM
C[C@@H](Sc1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1	ZINC001593678267	996090716	/nfs/dbraw/zinc/09/07/16/996090716.db2.gz	HYIFJGIFSSHNMW-MRVPVSSYSA-N	-1	0	290.369	3.566	20	30		CHEDRM
CC1(C)C/C(=C\c2cc(C(=O)[O-])co2)C(=O)c2ccccc21	ZINC001593842372	996603181	/nfs/dbraw/zinc/60/31/81/996603181.db2.gz	KEDILBPVSSOBNS-YRNVUSSQSA-N	-1	0	296.322	3.925	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc(C(C)C)cc1	ZINC000846551133	1131712822	/nfs/dbraw/zinc/71/28/22/1131712822.db2.gz	STLZAYQIIWEOKP-GFCCVEGCSA-N	-1	0	279.405	3.524	20	30		CHEDRM
N#C[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)CC1	ZINC001232632033	1132497923	/nfs/dbraw/zinc/49/79/23/1132497923.db2.gz	UPNLSGGWNJETAB-JTQLQIEISA-N	-1	0	299.201	3.825	20	30		CHEDRM
CCC[C@H](C)[C@H](Oc1[n-]c(=O)cc(C)c1C#N)C(C)C	ZINC001233919293	1132698560	/nfs/dbraw/zinc/69/85/60/1132698560.db2.gz	DWDZOVQEILFXAD-XHDPSFHLSA-N	-1	0	276.380	3.807	20	30		CHEDRM
CCC[C@H](C)[C@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919305	1132698571	/nfs/dbraw/zinc/69/85/71/1132698571.db2.gz	GIHYBUZLHYRRDR-GWCFXTLKSA-N	-1	0	262.353	3.561	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214803898	1134574785	/nfs/dbraw/zinc/57/47/85/1134574785.db2.gz	JZDYPPGMEFERAI-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
C#Cc1ccccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211966550	1125535681	/nfs/dbraw/zinc/53/56/81/1125535681.db2.gz	FBVNTVYPQRTBOZ-UHFFFAOYSA-N	-1	0	271.703	3.763	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F	ZINC001211965325	1125532831	/nfs/dbraw/zinc/53/28/31/1125532831.db2.gz	ZELBGUCPGBBVFK-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#CCc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211966871	1125535855	/nfs/dbraw/zinc/53/58/55/1125535855.db2.gz	PTQGHTRFXAYBIX-UHFFFAOYSA-N	-1	0	286.718	3.848	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211966862	1125535865	/nfs/dbraw/zinc/53/58/65/1125535865.db2.gz	PFLAXKXXTOURPH-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CCOc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000221635506	1125732912	/nfs/dbraw/zinc/73/29/12/1125732912.db2.gz	FOPLFWWZIAXVGV-XFXZXTDPSA-N	-1	0	268.312	3.687	20	30		CHEDRM
O=C(/C=C\c1cccnc1Cl)c1cc(F)cc(F)c1[O-]	ZINC000757471465	1125766310	/nfs/dbraw/zinc/76/63/10/1125766310.db2.gz	CSSBREFHIVOPSX-ARJAWSKDSA-N	-1	0	295.672	3.615	20	30		CHEDRM
C=C(C)c1cccc(NC2CCC(C(=O)[O-])CC2)c1	ZINC000905798571	1126916452	/nfs/dbraw/zinc/91/64/52/1126916452.db2.gz	WVELKORQCBXBFS-UHFFFAOYSA-N	-1	0	259.349	3.775	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccccc1)c1nc2ccccc2o1	ZINC000054735121	1127138195	/nfs/dbraw/zinc/13/81/95/1127138195.db2.gz	GBSIUMKICADNDN-VNDWYCCKSA-N	-1	0	288.306	3.717	20	30		CHEDRM
CC(C)(C)CN(CCC#N)Cc1cccc(O)c1Cl	ZINC000351395629	1127187928	/nfs/dbraw/zinc/18/79/28/1127187928.db2.gz	JTZFXURKIYDGIM-UHFFFAOYSA-N	-1	0	280.799	3.807	20	30		CHEDRM
CCc1ccc(CC)c(NC(=O)c2cc(O)cc(C#N)c2)c1	ZINC000589189057	1127215598	/nfs/dbraw/zinc/21/55/98/1127215598.db2.gz	XTIWWZMPOJAYDF-UHFFFAOYSA-N	-1	0	294.354	3.641	20	30		CHEDRM
N#Cc1c(NC2CCC(C(=O)[O-])CC2)cccc1C(F)F	ZINC000595965735	1127480508	/nfs/dbraw/zinc/48/05/08/1127480508.db2.gz	JDLONMLKJGMUAF-UHFFFAOYSA-N	-1	0	294.301	3.551	20	30		CHEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)C(C)C	ZINC000076762216	1127549578	/nfs/dbraw/zinc/54/95/78/1127549578.db2.gz	LTDNTSYTJBAHOO-AWEZNQCLSA-N	-1	0	297.420	3.513	20	30		CHEDRM
CC[C@H]1C(=O)N(c2ccc(C#N)c(Cl)c2)N=C1C(C)C	ZINC000601948898	1127553343	/nfs/dbraw/zinc/55/33/43/1127553343.db2.gz	NHVHOVMYDQOZFH-GFCCVEGCSA-N	-1	0	289.766	3.596	20	30		CHEDRM
Cc1[n-]n([C@@H](C)c2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000601935729	1127553352	/nfs/dbraw/zinc/55/33/52/1127553352.db2.gz	MIAKMKCPISACGN-SMDDNHRTSA-N	-1	0	289.766	3.539	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3occc3s2)n1	ZINC000606146182	1127751833	/nfs/dbraw/zinc/75/18/33/1127751833.db2.gz	LJKYZRVMKAKUPO-MRVPVSSYSA-N	-1	0	288.353	3.749	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3ccccc3o2)n1	ZINC000003196090	1128128932	/nfs/dbraw/zinc/12/89/32/1128128932.db2.gz	FBYGGEYDBMOXST-LLVKDONJSA-N	-1	0	282.324	3.688	20	30		CHEDRM
CCc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000916240667	1128412696	/nfs/dbraw/zinc/41/26/96/1128412696.db2.gz	JREIAMGVNCPPJX-UHFFFAOYSA-N	-1	0	282.343	3.783	20	30		CHEDRM
CCC(CC)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916259544	1128413220	/nfs/dbraw/zinc/41/32/20/1128413220.db2.gz	OCCWCDKLQXVDCP-UHFFFAOYSA-N	-1	0	268.744	3.872	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]3CCCC[C@@H]3C2)nc1	ZINC000763367845	1128416330	/nfs/dbraw/zinc/41/63/30/1128416330.db2.gz	GGCDUFRVALCBSX-VXGBXAGGSA-N	-1	0	287.363	3.538	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(F)cc1F)O2	ZINC000915988747	1128401855	/nfs/dbraw/zinc/40/18/55/1128401855.db2.gz	FNLCTOSLXDDAIQ-LHHJGKSTSA-N	-1	0	288.249	3.595	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1C	ZINC000915988463	1128401953	/nfs/dbraw/zinc/40/19/53/1128401953.db2.gz	XAZLQZIYEXVHIL-JXMROGBWSA-N	-1	0	294.350	3.827	20	30		CHEDRM
Cc1ccc(C)c(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000915988441	1128401978	/nfs/dbraw/zinc/40/19/78/1128401978.db2.gz	WMMKTMGSIKIWDJ-MDZDMXLPSA-N	-1	0	294.350	3.827	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1Cl	ZINC000916240681	1128412321	/nfs/dbraw/zinc/41/23/21/1128412321.db2.gz	KJMYESIGCYXQPP-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000916877910	1128460110	/nfs/dbraw/zinc/46/01/10/1128460110.db2.gz	IQIQRIJLKDFIDW-ZDUSSCGKSA-N	-1	0	282.343	3.558	20	30		CHEDRM
Cc1cc(=O)[n-]c(N=NC(CCc2ccccc2)C(C)C)n1	ZINC000917529356	1128505255	/nfs/dbraw/zinc/50/52/55/1128505255.db2.gz	NFNQDJDZNUXDBZ-UHFFFAOYSA-N	-1	0	298.390	3.547	20	30		CHEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cccs1)CC2	ZINC000041575028	1128548364	/nfs/dbraw/zinc/54/83/64/1128548364.db2.gz	UUKVZDMASVILGR-VQHVLOKHSA-N	-1	0	288.324	3.560	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000569225407	1128602098	/nfs/dbraw/zinc/60/20/98/1128602098.db2.gz	KVAQDSXNGCAYBN-NSHDSACASA-N	-1	0	251.285	3.679	20	30		CHEDRM
O=C([O-])c1cc(N=NC=CCc2ccco2)ccc1Cl	ZINC000920357294	1128677672	/nfs/dbraw/zinc/67/76/72/1128677672.db2.gz	CZEDTHVCLDEGGA-MAPOGHOJSA-N	-1	0	290.706	3.742	20	30		CHEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518318	1128714403	/nfs/dbraw/zinc/71/44/03/1128714403.db2.gz	UCDPLZOFWHNZKS-ZHACJKMWSA-N	-1	0	293.388	3.524	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000175320465	1128723893	/nfs/dbraw/zinc/72/38/93/1128723893.db2.gz	MKIWMNULJORHHY-VOTSOKGWSA-N	-1	0	274.266	3.875	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000072614397	1117778300	/nfs/dbraw/zinc/77/83/00/1117778300.db2.gz	NSTGDVFBUKRRMY-HWKANZROSA-N	-1	0	289.312	3.566	20	30		CHEDRM
CC(=NOC/C=C/Cl)c1ccc(O)c(Cl)c1	ZINC000811672042	1117936058	/nfs/dbraw/zinc/93/60/58/1117936058.db2.gz	ONMSUOMQLUHIDW-MSVOIAIGSA-N	-1	0	260.120	3.539	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000255020730	1117993150	/nfs/dbraw/zinc/99/31/50/1117993150.db2.gz	OLIZQPYINMSPGI-HYXAFXHYSA-N	-1	0	289.312	3.566	20	30		CHEDRM
COc1cc(C#N)ccc1Nc1ccc([S-])cc1	ZINC001209411617	1118040101	/nfs/dbraw/zinc/04/01/01/1118040101.db2.gz	RINLNHBZFLZRAX-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(OC)c(C(=O)[O-])c1	ZINC001209902308	1118107592	/nfs/dbraw/zinc/10/75/92/1118107592.db2.gz	BRUVKUFHAGQVQL-UHFFFAOYSA-N	-1	0	296.326	3.571	20	30		CHEDRM
Cc1cc(Cl)nc(Nc2ccc(F)cc2O)c1C#N	ZINC001210016482	1118132053	/nfs/dbraw/zinc/13/20/53/1118132053.db2.gz	LNCNSOAVUVZRAC-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ns1	ZINC000683689723	1118285734	/nfs/dbraw/zinc/28/57/34/1118285734.db2.gz	KFBVPKDBAVMVBL-VIFPVBQESA-N	-1	0	291.401	3.522	20	30		CHEDRM
O=C(Cc1coc2ccccc12)N(O)Cc1ccc(F)cc1	ZINC001649075660	1118319719	/nfs/dbraw/zinc/31/97/19/1118319719.db2.gz	ANNCAFSYMUKGJC-UHFFFAOYSA-N	-1	0	299.301	3.532	20	30		CHEDRM
N#Cc1cc(Nc2coc3ccccc23)c([O-])cc1F	ZINC001203155342	1118480729	/nfs/dbraw/zinc/48/07/29/1118480729.db2.gz	WMIDOJHBFXXPRR-UHFFFAOYSA-N	-1	0	268.247	3.893	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)s1	ZINC000211709115	1118494004	/nfs/dbraw/zinc/49/40/04/1118494004.db2.gz	KVZCJHXCTOVZMB-YVMONPNESA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000782200503	1118502789	/nfs/dbraw/zinc/50/27/89/1118502789.db2.gz	RWKYOTQXCSMGPY-AATRIKPKSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1ccc(F)cc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000588394321	1118523166	/nfs/dbraw/zinc/52/31/66/1118523166.db2.gz	GTSMTXLGRVMCLG-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cccc(F)c1	ZINC000255310743	1118604373	/nfs/dbraw/zinc/60/43/73/1118604373.db2.gz	OUXKUZRUMYCPBL-PLNGDYQASA-N	-1	0	278.229	3.706	20	30		CHEDRM
CC(C)c1cc(Nc2scc([O-])c2C#N)ccc1O	ZINC001215845035	1118610065	/nfs/dbraw/zinc/61/00/65/1118610065.db2.gz	VNMPTAXORWTSPM-UHFFFAOYSA-N	-1	0	274.345	3.898	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1c(C)cc(C)cc1O	ZINC000799866186	1118679650	/nfs/dbraw/zinc/67/96/50/1118679650.db2.gz	WZNDFDQNWVRZEV-UHFFFAOYSA-N	-1	0	298.342	3.543	20	30		CHEDRM
CCCCC(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012907	1118769198	/nfs/dbraw/zinc/76/91/98/1118769198.db2.gz	ZKJWUQXXBOBOQE-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
CC1(C)CCC[C@H]1NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000782286379	1118776035	/nfs/dbraw/zinc/77/60/35/1118776035.db2.gz	JGPIYWGGJYPQGU-CYBMUJFWSA-N	-1	0	294.782	3.540	20	30		CHEDRM
C=CCOc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000728438177	1118944669	/nfs/dbraw/zinc/94/46/69/1118944669.db2.gz	BOEBXVHFTDCVCM-SOFGYWHQSA-N	-1	0	298.313	3.992	20	30		CHEDRM
Cc1cc(Nc2ccc(C(C)(C)C#N)nc2)cc(C(=O)[O-])c1	ZINC001211537296	1118976676	/nfs/dbraw/zinc/97/66/76/1118976676.db2.gz	BYLFPHXZPGYAGT-UHFFFAOYSA-N	-1	0	295.342	3.633	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])cc(C)c1O	ZINC000588495771	1118991649	/nfs/dbraw/zinc/99/16/49/1118991649.db2.gz	URLQFTYUZMRYDC-ARJAWSKDSA-N	-1	0	274.341	3.672	20	30		CHEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)s1	ZINC000255495437	1119028891	/nfs/dbraw/zinc/02/88/91/1119028891.db2.gz	JEIKEHCIKWZSNC-DJWKRKHSSA-N	-1	0	289.743	3.875	20	30		CHEDRM
Cc1cc(Nc2c(C)cccc2C#N)cc(C(=O)[O-])c1	ZINC001211544450	1119073919	/nfs/dbraw/zinc/07/39/19/1119073919.db2.gz	AGSUIIHYRDDQSH-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049502295	1119096264	/nfs/dbraw/zinc/09/62/64/1119096264.db2.gz	MNAKFWWVCKOKAD-UHFFFAOYSA-N	-1	0	287.425	3.576	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(C)(C)C#N)nc2)cc1C(=O)[O-]	ZINC001211594064	1119396036	/nfs/dbraw/zinc/39/60/36/1119396036.db2.gz	KEZMMCRMKGWMDC-UHFFFAOYSA-N	-1	0	295.342	3.633	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\Sc2ccccc2)c1	ZINC000255587040	1119474341	/nfs/dbraw/zinc/47/43/41/1119474341.db2.gz	ANWYQAGTBDFUTC-HJWRWDBZSA-N	-1	0	296.351	3.508	20	30		CHEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1cccc(F)c1	ZINC000176818460	1119496325	/nfs/dbraw/zinc/49/63/25/1119496325.db2.gz	NXRQTAAQFPBQAL-LLVKDONJSA-N	-1	0	298.317	3.535	20	30		CHEDRM
Cc1ccsc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255604691	1119615145	/nfs/dbraw/zinc/61/51/45/1119615145.db2.gz	FZBRHDRBTJYCDT-PLNGDYQASA-N	-1	0	262.305	3.797	20	30		CHEDRM
COCc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000255753450	1119738124	/nfs/dbraw/zinc/73/81/24/1119738124.db2.gz	DXNXHGQZGZOFFS-VURMDHGXSA-N	-1	0	286.302	3.574	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2Cl)c(C#N)c1	ZINC000235858648	1119828074	/nfs/dbraw/zinc/82/80/74/1119828074.db2.gz	JDHMNTDWJLHBCZ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)c1	ZINC000069579238	1128885034	/nfs/dbraw/zinc/88/50/34/1128885034.db2.gz	XIGVSEKSJJHHQY-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
C=CCCO[N-]C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1	ZINC001168626936	1120089333	/nfs/dbraw/zinc/08/93/33/1120089333.db2.gz	JKBZHMYIDCYZLY-UHFFFAOYSA-N	-1	0	287.403	3.640	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1C	ZINC000765825588	1120112199	/nfs/dbraw/zinc/11/21/99/1120112199.db2.gz	QGRCVLJOBQIEET-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccc(F)c(F)c2)c1	ZINC000765826762	1120113001	/nfs/dbraw/zinc/11/30/01/1120113001.db2.gz	SNCAZVQINGUTRT-RQOWECAXSA-N	-1	0	294.278	3.621	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1C#N	ZINC001211657470	1120575326	/nfs/dbraw/zinc/57/53/26/1120575326.db2.gz	OSYPWZAULLXYFX-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(Nc2ccccc2CC#N)ccc1C(=O)[O-]	ZINC001211658582	1120635369	/nfs/dbraw/zinc/63/53/69/1120635369.db2.gz	SSIJYHPBDBATBB-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(F)c(C#N)c2)ccc1C(=O)[O-]	ZINC001211660925	1120664491	/nfs/dbraw/zinc/66/44/91/1120664491.db2.gz	SYCXWDXTHJRMQX-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1	ZINC001212513356	1120703730	/nfs/dbraw/zinc/70/37/30/1120703730.db2.gz	MRXCKYPSCCZAKC-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)c(Cl)cc2O)ccc1N	ZINC001213438871	1120839840	/nfs/dbraw/zinc/83/98/40/1120839840.db2.gz	BFVACTBCDNGOGK-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C(C)C)n2)n1	ZINC000171145453	1121096148	/nfs/dbraw/zinc/09/61/48/1121096148.db2.gz	AUKLMNBNCJIMHL-VIFPVBQESA-N	-1	0	291.401	3.522	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(CC(=O)[O-])cc2)cc1C#N	ZINC001174954614	1121109586	/nfs/dbraw/zinc/10/95/86/1121109586.db2.gz	KBYGBSMAKFXNKK-UHFFFAOYSA-N	-1	0	280.327	3.546	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)c(F)c(F)c2)c([O-])cc1F	ZINC001174959930	1121112684	/nfs/dbraw/zinc/11/26/84/1121112684.db2.gz	AWFBCCUFXFYJQZ-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)o1	ZINC000674300098	1121115350	/nfs/dbraw/zinc/11/53/50/1121115350.db2.gz	ZATMCKOAPIXVPT-CQSZACIVSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(F)c1F	ZINC001174984397	1121142727	/nfs/dbraw/zinc/14/27/27/1121142727.db2.gz	NRAFLPZSDIXHFD-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175159423	1121189219	/nfs/dbraw/zinc/18/92/19/1121189219.db2.gz	AZCIGWGIWKWUBN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC001175161295	1121190548	/nfs/dbraw/zinc/19/05/48/1121190548.db2.gz	DSGCNJNIJIWJJX-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175220712	1121228433	/nfs/dbraw/zinc/22/84/33/1121228433.db2.gz	ZEODMEJHLBOERU-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1F	ZINC001175318810	1121281025	/nfs/dbraw/zinc/28/10/25/1121281025.db2.gz	GDFVFWCGYZMNGQ-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1cc(C)c(Nc2cccc(O)c2F)cc1C#N	ZINC001212553883	1121292763	/nfs/dbraw/zinc/29/27/63/1121292763.db2.gz	ADCDFLPORNKFBH-UHFFFAOYSA-N	-1	0	256.280	3.763	20	30		CHEDRM
N#Cc1cc(Nc2ccc3scnc3c2)c([O-])cc1F	ZINC001175914740	1121497859	/nfs/dbraw/zinc/49/78/59/1121497859.db2.gz	VJDBTJFAZKQLII-UHFFFAOYSA-N	-1	0	285.303	3.756	20	30		CHEDRM
C#Cc1cccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1	ZINC001175974733	1121509617	/nfs/dbraw/zinc/50/96/17/1121509617.db2.gz	ACTMGCZPFBZHJV-UHFFFAOYSA-N	-1	0	297.116	3.958	20	30		CHEDRM
C#Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1F	ZINC001176595320	1121650544	/nfs/dbraw/zinc/65/05/44/1121650544.db2.gz	MHGQFJUYYSKUQZ-BJMVGYQFSA-N	-1	0	281.286	3.648	20	30		CHEDRM
CCC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000729149727	1121757352	/nfs/dbraw/zinc/75/73/52/1121757352.db2.gz	OGWROWSWZGZXOK-XWAFYUISSA-N	-1	0	299.330	3.656	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1F	ZINC000729151820	1121760766	/nfs/dbraw/zinc/76/07/66/1121760766.db2.gz	YBLMCACTUAMFSS-ZZXKWVIFSA-N	-1	0	274.266	3.875	20	30		CHEDRM
C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(=O)[O-])cc2)o1	ZINC000732762517	1121937856	/nfs/dbraw/zinc/93/78/56/1121937856.db2.gz	IKFIANMZAWQGPG-HZMBPMFUSA-N	-1	0	284.315	3.547	20	30		CHEDRM
C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(=O)[O-])cc2)o1	ZINC000732762520	1121938119	/nfs/dbraw/zinc/93/81/19/1121938119.db2.gz	IKFIANMZAWQGPG-YGRLFVJLSA-N	-1	0	284.315	3.547	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1NC(=O)c1cccc([S-])c1	ZINC001186152808	1122377029	/nfs/dbraw/zinc/37/70/29/1122377029.db2.gz	PINKRNQKVJTNJS-UHFFFAOYSA-N	-1	0	286.331	3.547	20	30		CHEDRM
CCc1ccccc1NC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001187641209	1122435759	/nfs/dbraw/zinc/43/57/59/1122435759.db2.gz	KJHHPRBSUJKVHM-UHFFFAOYSA-N	-1	0	299.305	3.609	20	30		CHEDRM
Oc1ccc(Cl)cc1C=Nc1nc2cc(F)ccc2[nH]1	ZINC000775229778	1122494115	/nfs/dbraw/zinc/49/41/15/1122494115.db2.gz	DCEBLARSYYTZQQ-UHFFFAOYSA-N	-1	0	289.697	3.812	20	30		CHEDRM
CC(C)c1ccccc1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001190265271	1122531261	/nfs/dbraw/zinc/53/12/61/1122531261.db2.gz	NDIKQYCXTNLBIZ-UHFFFAOYSA-N	-1	0	298.317	3.779	20	30		CHEDRM
C=CCC(C)(C)c1noc(-c2ccc(Cl)cc2[O-])n1	ZINC000436566011	1122561927	/nfs/dbraw/zinc/56/19/27/1122561927.db2.gz	ORUZNOLDYYWCKA-UHFFFAOYSA-N	-1	0	278.739	3.949	20	30		CHEDRM
C=CCC(C)(C)c1noc(-c2ccc([O-])c(Cl)c2)n1	ZINC000436566060	1122562003	/nfs/dbraw/zinc/56/20/03/1122562003.db2.gz	PAFWQUHVLRALSV-UHFFFAOYSA-N	-1	0	278.739	3.949	20	30		CHEDRM
CCCCCCCCNC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001191069545	1122567898	/nfs/dbraw/zinc/56/78/98/1122567898.db2.gz	LYWIMBJGJFRKRD-UHFFFAOYSA-N	-1	0	289.379	3.746	20	30		CHEDRM
C=C(C)CCc1noc(-c2ccc(Cl)cc2[O-])n1	ZINC000436689186	1122572468	/nfs/dbraw/zinc/57/24/68/1122572468.db2.gz	WAVXTDVPUNAKKT-UHFFFAOYSA-N	-1	0	264.712	3.604	20	30		CHEDRM
C=CCOC(=O)Nc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001194323402	1122765126	/nfs/dbraw/zinc/76/51/26/1122765126.db2.gz	CLCCKKADWXWONS-ZDUSSCGKSA-N	-1	0	291.347	3.635	20	30		CHEDRM
N#Cc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)ccc1F	ZINC001250636644	1122866402	/nfs/dbraw/zinc/86/64/02/1122866402.db2.gz	NBCCZWOQMAOORS-UHFFFAOYSA-N	-1	0	275.666	3.716	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000007333330	1123249018	/nfs/dbraw/zinc/24/90/18/1123249018.db2.gz	WMUFUPRYBOWARP-BQYQJAHWSA-N	-1	0	286.352	3.905	20	30		CHEDRM
CC(C)C[C@@H](C)CC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000779781012	1129109497	/nfs/dbraw/zinc/10/94/97/1129109497.db2.gz	BJGKKRYNJYNGMA-LLVKDONJSA-N	-1	0	277.368	3.640	20	30		CHEDRM
CC(C)C[C@H](C)CC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000779781013	1129109523	/nfs/dbraw/zinc/10/95/23/1129109523.db2.gz	BJGKKRYNJYNGMA-NSHDSACASA-N	-1	0	277.368	3.640	20	30		CHEDRM
Cc1ccc(F)cc1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000853393295	1123438817	/nfs/dbraw/zinc/43/88/17/1123438817.db2.gz	AYZMGNDCGBPAEU-UHFFFAOYSA-N	-1	0	278.327	3.567	20	30		CHEDRM
CCc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)s1	ZINC000205687768	1124017018	/nfs/dbraw/zinc/01/70/18/1124017018.db2.gz	CSWCPPOGOCRWNE-UITAMQMPSA-N	-1	0	286.352	3.905	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C(F)=C2CCC2)n1	ZINC000820183515	1131278680	/nfs/dbraw/zinc/27/86/80/1131278680.db2.gz	ABIBUJNDDFFZPX-JTQLQIEISA-N	-1	0	278.352	3.850	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C(F)F)n1	ZINC000873495336	1124773110	/nfs/dbraw/zinc/77/31/10/1124773110.db2.gz	KCVFORPVFWODFS-QMMMGPOBSA-N	-1	0	298.339	3.941	20	30		CHEDRM
N#CC1(c2cccc(-c3ccc(C(=O)[O-])cc3F)c2)CC1	ZINC001239257018	1131307693	/nfs/dbraw/zinc/30/76/93/1131307693.db2.gz	PRQHDONGRLTVMV-UHFFFAOYSA-N	-1	0	281.286	3.746	20	30		CHEDRM
Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1CC#N	ZINC001239351749	1131321210	/nfs/dbraw/zinc/32/12/10/1131321210.db2.gz	MAYJIZQNGZQXFW-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000129527154	1125341502	/nfs/dbraw/zinc/34/15/02/1125341502.db2.gz	LEFMWKIFOPWLFF-VQHVLOKHSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#CC(=C([O-])c1ccco1)c1nc(-c2ccccc2)cs1	ZINC000041536142	1125434456	/nfs/dbraw/zinc/43/44/56/1125434456.db2.gz	MFFNYARQYWIYNW-GFCCVEGCSA-N	-1	0	294.335	3.893	20	30		CHEDRM
CC(C)(C)c1ncc(/C=C2\Cc3cc(O)ccc3C2=O)s1	ZINC000187220676	1129282219	/nfs/dbraw/zinc/28/22/19/1129282219.db2.gz	MYMMZHHFQLLACV-DHZHZOJOSA-N	-1	0	299.395	3.969	20	30		CHEDRM
CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000735203730	1129334881	/nfs/dbraw/zinc/33/48/81/1129334881.db2.gz	LXUNGSKTQIIJIO-MFNCVGGLSA-N	-1	0	294.354	3.724	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc([O-])c(F)c2)n1	ZINC001240785691	1129353280	/nfs/dbraw/zinc/35/32/80/1129353280.db2.gz	BFUBIHXFWUVLIC-UHFFFAOYSA-N	-1	0	270.307	3.762	20	30		CHEDRM
Cc1cccc([C@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000741165346	1129430866	/nfs/dbraw/zinc/43/08/66/1129430866.db2.gz	LBFMDBCNNBJCKI-VBEHJTROSA-N	-1	0	298.342	3.831	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@H]2C2CCCCC2)c1	ZINC000741465766	1129436933	/nfs/dbraw/zinc/43/69/33/1129436933.db2.gz	YFXDNYOPPKVKAA-HGHQNMJOSA-N	-1	0	288.347	3.688	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3c(F)cc([O-])cc3F)cc12	ZINC001241120985	1129458738	/nfs/dbraw/zinc/45/87/38/1129458738.db2.gz	WQRNDTWDSILNHJ-UHFFFAOYSA-N	-1	0	270.238	3.690	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCOC1CCC1	ZINC000743044509	1129511239	/nfs/dbraw/zinc/51/12/39/1129511239.db2.gz	KRMXYJXWGCOVSY-LZYBPNLTSA-N	-1	0	288.174	3.687	20	30		CHEDRM
CC[C@H](C)C[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000743041700	1129511291	/nfs/dbraw/zinc/51/12/91/1129511291.db2.gz	BZWAIPJRHFAIFJ-DNNIXFFWSA-N	-1	0	264.325	3.544	20	30		CHEDRM
Cn1cccc1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000743501570	1129528281	/nfs/dbraw/zinc/52/82/81/1129528281.db2.gz	NIUBFEHPMXRFMS-FRKPEAEDSA-N	-1	0	283.158	3.657	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1	ZINC000647371079	1129576445	/nfs/dbraw/zinc/57/64/45/1129576445.db2.gz	JSLWWPCQHTXMKE-SNVBAGLBSA-N	-1	0	288.397	3.881	20	30		CHEDRM
CCc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000744515875	1129580759	/nfs/dbraw/zinc/58/07/59/1129580759.db2.gz	BPUUDCHTEULBPU-UHFFFAOYSA-N	-1	0	288.372	3.845	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])ccc1C#N	ZINC000766489763	1129669546	/nfs/dbraw/zinc/66/95/46/1129669546.db2.gz	GDKVZCFIDHMERP-HYXAFXHYSA-N	-1	0	299.276	3.747	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2)cc1C#N	ZINC001212593392	1129744442	/nfs/dbraw/zinc/74/44/42/1129744442.db2.gz	OMVICHCKOUXVAK-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212593607	1129746665	/nfs/dbraw/zinc/74/66/65/1129746665.db2.gz	ZVNIPRFOCDQSCX-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc(Cl)c([O-])c1	ZINC001212595347	1129756956	/nfs/dbraw/zinc/75/69/56/1129756956.db2.gz	OZVFADKUUQYGDI-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1cccc(F)c1[O-]	ZINC001242352134	1129790386	/nfs/dbraw/zinc/79/03/86/1129790386.db2.gz	NUEYLIHRNZSTED-UHFFFAOYSA-N	-1	0	279.217	3.671	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cc2)C[C@H]1c1ccccc1	ZINC000767733880	1129811724	/nfs/dbraw/zinc/81/17/24/1129811724.db2.gz	HCZXXNVSYMZUMQ-MLGOLLRUSA-N	-1	0	294.354	3.976	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(C(=O)[O-])c2)C[C@H]1c1ccccc1	ZINC000767745190	1129811825	/nfs/dbraw/zinc/81/18/25/1129811825.db2.gz	ZUZRNUIFPAAYSN-BLLLJJGKSA-N	-1	0	294.354	3.976	20	30		CHEDRM
Cc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1C(=O)[O-]	ZINC000110989294	1129843225	/nfs/dbraw/zinc/84/32/25/1129843225.db2.gz	FWSFNEIWVOSJDY-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCC[C@@H](C)C1	ZINC000768367351	1129854387	/nfs/dbraw/zinc/85/43/87/1129854387.db2.gz	PEUCGDYWYLGDQM-VXGBXAGGSA-N	-1	0	290.363	3.617	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2CCC(F)(F)CC2)c1	ZINC000800721143	1129885824	/nfs/dbraw/zinc/88/58/24/1129885824.db2.gz	KETQYMVBTDZJAD-RQZCQDPDSA-N	-1	0	298.289	3.545	20	30		CHEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1	ZINC000800790076	1129887543	/nfs/dbraw/zinc/88/75/43/1129887543.db2.gz	BEKDMYGOKVTGQO-UGHKADQRSA-N	-1	0	276.317	3.542	20	30		CHEDRM
O=C(/C=C\c1cccc2nccn21)c1cc(Cl)ccc1[O-]	ZINC000769610456	1129919191	/nfs/dbraw/zinc/91/91/91/1129919191.db2.gz	QHDDCFOJUBDKQB-ALCCZGGFSA-N	-1	0	298.729	3.589	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CC[C@H]1c1ccccc1	ZINC000769778666	1129923164	/nfs/dbraw/zinc/92/31/64/1129923164.db2.gz	VDODXDCCKHJHEK-ZDUSSCGKSA-N	-1	0	280.327	3.730	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1	ZINC000770571423	1129950821	/nfs/dbraw/zinc/95/08/21/1129950821.db2.gz	DABOHMQXCSEHKM-QPJJXVBHSA-N	-1	0	281.286	3.608	20	30		CHEDRM
N#CC1(c2ccc(-c3cccc([S-])c3)nc2)CC1	ZINC001242865842	1130108886	/nfs/dbraw/zinc/10/88/86/1130108886.db2.gz	FNMJHYZGEUNRJO-UHFFFAOYSA-N	-1	0	252.342	3.592	20	30		CHEDRM
CCCn1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001240132403	1130220760	/nfs/dbraw/zinc/22/07/60/1130220760.db2.gz	OHELDFWWWKAVJY-FBCYGCLPSA-N	-1	0	297.280	3.787	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2ccnc(C(F)(F)F)c2)c1	ZINC001240339536	1130269341	/nfs/dbraw/zinc/26/93/41/1130269341.db2.gz	GLPIBAJMPNWLGR-FBCYGCLPSA-N	-1	0	284.212	3.715	20	30		CHEDRM
CC[C@@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000790180845	1130294216	/nfs/dbraw/zinc/29/42/16/1130294216.db2.gz	BBTFHGLSAAWQSD-SSDOTTSWSA-N	-1	0	275.179	3.811	20	30		CHEDRM
N#Cc1cc(-c2cc(F)ccc2[O-])nc2ccccc12	ZINC001240695254	1130422422	/nfs/dbraw/zinc/42/24/22/1130422422.db2.gz	FYHZDMVNIDZRTM-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
CC(C)(C)CN(CCC#N)Cc1c([O-])ccc(Cl)c1F	ZINC000792167893	1130433784	/nfs/dbraw/zinc/43/37/84/1130433784.db2.gz	SZSGDXLLBZQSDB-UHFFFAOYSA-N	-1	0	298.789	3.946	20	30		CHEDRM
O=C(/C=C\c1cncc2ccccc12)c1ccc(O)cc1[O-]	ZINC000772801190	1130458843	/nfs/dbraw/zinc/45/88/43/1130458843.db2.gz	JTNATVIIVKXRII-YVMONPNESA-N	-1	0	291.306	3.542	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1ccc([O-])c(F)c1	ZINC001240787794	1130471752	/nfs/dbraw/zinc/47/17/52/1130471752.db2.gz	QRJXWJIEDOOUKI-UHFFFAOYSA-N	-1	0	279.217	3.671	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1ccc(C(=O)[O-])s1	ZINC001240842478	1130490492	/nfs/dbraw/zinc/49/04/92/1130490492.db2.gz	HBHHBVFSYRWGRQ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])s2)n1	ZINC001240846187	1130491657	/nfs/dbraw/zinc/49/16/57/1130491657.db2.gz	UMMOKBOWOIXPKQ-UHFFFAOYSA-N	-1	0	286.356	3.677	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)CCC1	ZINC001240973644	1130544613	/nfs/dbraw/zinc/54/46/13/1130544613.db2.gz	LIEVWBNUWNIPTE-UHFFFAOYSA-N	-1	0	291.350	3.926	20	30		CHEDRM
[O-]/N=C/c1cccc(-c2cc(F)c(F)c(F)c2)c1	ZINC001240980570	1130548915	/nfs/dbraw/zinc/54/89/15/1130548915.db2.gz	NJNIBEALNQZFNP-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2ccc(F)c(F)c2F)c1	ZINC001240992940	1130556483	/nfs/dbraw/zinc/55/64/83/1130556483.db2.gz	RHVAXVZWUZHURD-NGYBGAFCSA-N	-1	0	269.197	3.718	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2c(ccnc2C#N)c1	ZINC001241003864	1130560534	/nfs/dbraw/zinc/56/05/34/1130560534.db2.gz	ZLPRCLIIJPLDDD-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(OCCC#N)cc1	ZINC001241003230	1130560687	/nfs/dbraw/zinc/56/06/87/1130560687.db2.gz	WCSFPCUNZHTLRH-UHFFFAOYSA-N	-1	0	281.311	3.653	20	30		CHEDRM
CC(=NNc1cc(C)ccc1C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758094841	1130597156	/nfs/dbraw/zinc/59/71/56/1130597156.db2.gz	GHFXWCUAARNLPE-UHFFFAOYSA-N	-1	0	299.330	3.753	20	30		CHEDRM
Cc1oc2ccccc2c1C=NNc1ccccc1C(=O)[O-]	ZINC000758098125	1130597180	/nfs/dbraw/zinc/59/71/80/1130597180.db2.gz	AAJOZUMRJZQNNK-UHFFFAOYSA-N	-1	0	294.310	3.885	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NO[C@H]2CCCCO2)cc1Cl	ZINC000758117972	1130598095	/nfs/dbraw/zinc/59/80/95/1130598095.db2.gz	JMZOTAXKXSCJIL-LBPRGKRZSA-N	-1	0	290.146	3.576	20	30		CHEDRM
O=C(/C=C/C=C/c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759088531	1130636088	/nfs/dbraw/zinc/63/60/88/1130636088.db2.gz	AZFUSJZUCZGXNW-KBXRYBNXSA-N	-1	0	295.294	3.753	20	30		CHEDRM
C#C[C@@H](Oc1ccc2[n-]c(=S)sc2c1)C(C)C	ZINC001234424895	1130642195	/nfs/dbraw/zinc/64/21/95/1130642195.db2.gz	OPODVOQEOCRCQX-LLVKDONJSA-N	-1	0	263.387	3.622	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C1CC=CC1	ZINC000759643688	1130665672	/nfs/dbraw/zinc/66/56/72/1130665672.db2.gz	ONDVWQOUMKULIX-VIZOYTHASA-N	-1	0	256.132	3.837	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CC(c3cccc(F)c3)C2)c1	ZINC000781571414	1130727218	/nfs/dbraw/zinc/72/72/18/1130727218.db2.gz	KDHVIWYVGDEALS-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
N#CCc1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235457660	1130745221	/nfs/dbraw/zinc/74/52/21/1130745221.db2.gz	FDLCHABXARSQNR-RMKNXTFCSA-N	-1	0	263.296	3.517	20	30		CHEDRM
N#CCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c(F)c1	ZINC001235459020	1130747380	/nfs/dbraw/zinc/74/73/80/1130747380.db2.gz	NPOMROISQJQCGC-XBXARRHUSA-N	-1	0	281.286	3.657	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cc(F)cc(F)c2)c1	ZINC000782207839	1130762924	/nfs/dbraw/zinc/76/29/24/1130762924.db2.gz	SNIVVRFJTVBZFF-OWOJBTEDSA-N	-1	0	294.278	3.621	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2)n1	ZINC001236058215	1130843848	/nfs/dbraw/zinc/84/38/48/1130843848.db2.gz	LWYGSLQUWJFDIC-UHFFFAOYSA-N	-1	0	280.327	3.616	20	30		CHEDRM
Cc1ccc(-c2ccc(C(=O)[O-])cc2)c(C)c1C#N	ZINC001236065871	1130845512	/nfs/dbraw/zinc/84/55/12/1130845512.db2.gz	OLAAPFINNPOPQR-UHFFFAOYSA-N	-1	0	251.285	3.540	20	30		CHEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000783769695	1130853734	/nfs/dbraw/zinc/85/37/34/1130853734.db2.gz	IFFPRKQLWUICQR-WCQYABFASA-N	-1	0	260.337	3.609	20	30		CHEDRM
N#CCc1ccccc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236159977	1130877374	/nfs/dbraw/zinc/87/73/74/1130877374.db2.gz	ZDINCTJJTSUKAC-UHFFFAOYSA-N	-1	0	289.693	3.910	20	30		CHEDRM
CC(C)(C#N)[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680711	1130894633	/nfs/dbraw/zinc/89/46/33/1130894633.db2.gz	FUXTVZVNMAZSEC-CYBMUJFWSA-N	-1	0	285.347	3.503	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccccc1Cl	ZINC000814690861	1130901270	/nfs/dbraw/zinc/90/12/70/1130901270.db2.gz	BTKGXIKERZXIPY-UHFFFAOYSA-N	-1	0	280.755	3.773	20	30		CHEDRM
Cc1ccc(F)c(N=NC(C)CC2(C(=O)[O-])CCC2)c1	ZINC000814872281	1130927801	/nfs/dbraw/zinc/92/78/01/1130927801.db2.gz	JDGSSBQQJZUXFA-UHFFFAOYSA-N	-1	0	278.327	3.567	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NOC1CCCC1	ZINC000814895443	1130931229	/nfs/dbraw/zinc/93/12/29/1130931229.db2.gz	XIZIDTOTIYGALE-UHFFFAOYSA-N	-1	0	255.358	3.747	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=NC1CCCCC1	ZINC000814910408	1130935155	/nfs/dbraw/zinc/93/51/55/1130935155.db2.gz	VUKHNDLVDNMELH-UHFFFAOYSA-N	-1	0	268.401	3.710	20	30		CHEDRM
C[C@@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)[O-]	ZINC000814914026	1130941864	/nfs/dbraw/zinc/94/18/64/1130941864.db2.gz	ZHGHFYOIWINFFX-IUODEOHRSA-N	-1	0	294.439	3.621	20	30		CHEDRM
C[C@@H]1C(N=N[C@H]2CCCC2(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814917774	1130942065	/nfs/dbraw/zinc/94/20/65/1130942065.db2.gz	QUIOPWRFWQOSNG-DYEKYZERSA-N	-1	0	294.439	3.668	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1CCCC1(C)C	ZINC000814917734	1130942817	/nfs/dbraw/zinc/94/28/17/1130942817.db2.gz	PULCMERZXBNUNQ-CQSZACIVSA-N	-1	0	282.428	3.956	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)CCC2CCCCC2)c1	ZINC000748002299	1130995024	/nfs/dbraw/zinc/99/50/24/1130995024.db2.gz	IJHHOYXPMBTODS-UHFFFAOYSA-N	-1	0	272.348	3.563	20	30		CHEDRM
CC[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000748005575	1130996813	/nfs/dbraw/zinc/99/68/13/1130996813.db2.gz	WMKSLNOZLYCXLG-CQSZACIVSA-N	-1	0	294.354	3.786	20	30		CHEDRM
C=CCC(F)(F)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000815905611	1131030273	/nfs/dbraw/zinc/03/02/73/1131030273.db2.gz	SUGSYPHTVFRQKX-UHFFFAOYSA-N	-1	0	296.100	3.849	20	30		CHEDRM
N#C[C@H](OC(=O)c1cc([S-])ccc1F)C1CCCCC1	ZINC000798724327	1131049123	/nfs/dbraw/zinc/04/91/23/1131049123.db2.gz	KAUGOEIYKROJAB-AWEZNQCLSA-N	-1	0	293.363	3.744	20	30		CHEDRM
CC(C)(C#N)CCCOC(=O)c1cc([S-])ccc1F	ZINC000798724762	1131049237	/nfs/dbraw/zinc/04/92/37/1131049237.db2.gz	VUAVGMXNQNSEKG-UHFFFAOYSA-N	-1	0	281.352	3.601	20	30		CHEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1	ZINC001117852313	1131204013	/nfs/dbraw/zinc/20/40/13/1131204013.db2.gz	HLZQVKLSEGBMAO-UHFFFAOYSA-N	-1	0	288.174	3.505	20	30		CHEDRM
C=CC[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000844601379	1131583333	/nfs/dbraw/zinc/58/33/33/1131583333.db2.gz	SKEAYUGBCDMHHV-JTQLQIEISA-N	-1	0	276.311	3.668	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1cccc2ccccc21	ZINC000846555592	1131713773	/nfs/dbraw/zinc/71/37/73/1131713773.db2.gz	WVJTXUBMAXKGAM-ZDUSSCGKSA-N	-1	0	283.371	3.740	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2C2CCC2)cc1F	ZINC000835009792	1131753649	/nfs/dbraw/zinc/75/36/49/1131753649.db2.gz	ZYAGJDQOHLGLIA-NSHDSACASA-N	-1	0	276.311	3.502	20	30		CHEDRM
CC(C)(C)[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009717	1131754336	/nfs/dbraw/zinc/75/43/36/1131754336.db2.gz	YZEFDHNQDBJFKS-LLVKDONJSA-N	-1	0	278.327	3.748	20	30		CHEDRM
C[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012885	1131755214	/nfs/dbraw/zinc/75/52/14/1131755214.db2.gz	YVERNQCEEUXDHZ-VIFPVBQESA-N	-1	0	264.300	3.502	20	30		CHEDRM
C[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010213	1131755631	/nfs/dbraw/zinc/75/56/31/1131755631.db2.gz	TWANFSXQKWOJPR-SECBINFHSA-N	-1	0	264.300	3.502	20	30		CHEDRM
O=C([O-])c1ccc(N=NCC2CCCCCC2)cc1F	ZINC000835010128	1131755695	/nfs/dbraw/zinc/75/56/95/1131755695.db2.gz	PSTZPUVOOSKJAE-UHFFFAOYSA-N	-1	0	278.327	3.892	20	30		CHEDRM
C=CC[C@@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1	ZINC001228480772	1131892776	/nfs/dbraw/zinc/89/27/76/1131892776.db2.gz	OSSCXRACJMJTBZ-GFCCVEGCSA-N	-1	0	276.723	3.532	20	30		CHEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1C	ZINC000773144072	1131961136	/nfs/dbraw/zinc/96/11/36/1131961136.db2.gz	WBBBOQFNKYNOKB-WAYWQWQTSA-N	-1	0	274.341	3.667	20	30		CHEDRM
COc1ccc(C(=O)/C=C\c2ccc(C)c(OC)c2)c([O-])c1	ZINC000773144100	1131961540	/nfs/dbraw/zinc/96/15/40/1131961540.db2.gz	XKWPDQUYMSYHBP-TWGQIWQCSA-N	-1	0	298.338	3.614	20	30		CHEDRM
Cc1ccc(C)c2c1CCC[C@H]2Oc1[n-]c(=O)ccc1C#N	ZINC001228902129	1131975007	/nfs/dbraw/zinc/97/50/07/1131975007.db2.gz	QANVFDLKDYFPPS-OAHLLOKOSA-N	-1	0	294.354	3.732	20	30		CHEDRM
C=C[C@H](C)Oc1cc(O)ccc1C(=O)Cc1ccccc1	ZINC001229258880	1132045463	/nfs/dbraw/zinc/04/54/63/1132045463.db2.gz	IFPMNUPWCBZMMV-ZDUSSCGKSA-N	-1	0	282.339	3.771	20	30		CHEDRM
C#C[C@@H](CCCC)Oc1cccc2oc(=S)[n-]c21	ZINC001231065945	1132250412	/nfs/dbraw/zinc/25/04/12/1132250412.db2.gz	RGVPXAMHHFKJBA-JTQLQIEISA-N	-1	0	261.346	3.687	20	30		CHEDRM
C#C[C@H](Oc1cccc2oc(=S)[n-]c21)c1ccccc1	ZINC001231064335	1132250657	/nfs/dbraw/zinc/25/06/57/1132250657.db2.gz	DGBBRLZYYFBKBZ-LBPRGKRZSA-N	-1	0	281.336	3.870	20	30		CHEDRM
CC1(C)OCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840705182	1132271659	/nfs/dbraw/zinc/27/16/59/1132271659.db2.gz	CINASQXALJGIRP-PFJSLNBISA-N	-1	0	288.174	3.685	20	30		CHEDRM
CC[C@](C)(C/N=C\c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000840706428	1132272123	/nfs/dbraw/zinc/27/21/23/1132272123.db2.gz	IEHCAPMEBYSQIJ-YSTIZTGUSA-N	-1	0	290.190	3.933	20	30		CHEDRM
CC1(C)COC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840708591	1132273626	/nfs/dbraw/zinc/27/36/26/1132273626.db2.gz	HEZYAMLRYRYPNM-MYZIAMLESA-N	-1	0	288.174	3.543	20	30		CHEDRM
C=CCN(CC=C)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232627150	1132499095	/nfs/dbraw/zinc/49/90/95/1132499095.db2.gz	AZNKIVBLAVBRDO-UHFFFAOYSA-N	-1	0	272.175	3.873	20	30		CHEDRM
CSc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001173814582	1132518797	/nfs/dbraw/zinc/51/87/97/1132518797.db2.gz	WNYMGICDBQLHIR-UHFFFAOYSA-N	-1	0	262.359	3.791	20	30		CHEDRM
Cc1cc2cc(C(=O)Nc3ccc(O)c(C#N)c3)ccc2o1	ZINC001150745467	1132559523	/nfs/dbraw/zinc/55/95/23/1132559523.db2.gz	JNGFXIROEPIPHS-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
C=C1CCC(C(=O)Nc2cccc(Cl)c2[O-])CC1	ZINC001152995420	1132589727	/nfs/dbraw/zinc/58/97/27/1132589727.db2.gz	OHEJNULTTSAMSY-UHFFFAOYSA-N	-1	0	265.740	3.731	20	30		CHEDRM
N#CCC(=O)c1ccccc1O[C@@H](c1cccnc1)C1CC1	ZINC001233524419	1132631760	/nfs/dbraw/zinc/63/17/60/1132631760.db2.gz	NUJJLKXBVVZIAO-GOSISDBHSA-N	-1	0	292.338	3.708	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2n[n-]c(=O)cc2Cl)C1	ZINC001233587665	1132642265	/nfs/dbraw/zinc/64/22/65/1132642265.db2.gz	WOIMOASDFAGKFE-CMPLNLGQSA-N	-1	0	280.755	3.515	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2[nH]ccc2c1	ZINC001173940687	1132651615	/nfs/dbraw/zinc/65/16/15/1132651615.db2.gz	ZPAQLMTWJMLGPC-UHFFFAOYSA-N	-1	0	255.302	3.550	20	30		CHEDRM
N#Cc1cc(Nc2cnc3ccccc3c2)c([O-])cc1F	ZINC001174003334	1132674246	/nfs/dbraw/zinc/67/42/46/1132674246.db2.gz	KUBFPNHWRNJRNN-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
CCCC[C@H](CCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919441	1132698324	/nfs/dbraw/zinc/69/83/24/1132698324.db2.gz	QFROPGDEVIWGRR-LBPRGKRZSA-N	-1	0	262.353	3.705	20	30		CHEDRM
CC(C)Oc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001174109647	1132725144	/nfs/dbraw/zinc/72/51/44/1132725144.db2.gz	IIMPONFREHLETH-UHFFFAOYSA-N	-1	0	286.306	3.934	20	30		CHEDRM
CC(C)n1cnc2cc(Nc3scc([O-])c3C#N)ccc21	ZINC001174381638	1132828635	/nfs/dbraw/zinc/82/86/35/1132828635.db2.gz	LYPBUHYNYGSSLT-UHFFFAOYSA-N	-1	0	298.371	4.000	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174497520	1132863909	/nfs/dbraw/zinc/86/39/09/1132863909.db2.gz	WJLILXMFYZISEH-AATRIKPKSA-N	-1	0	296.301	3.847	20	30		CHEDRM
C=CCCC[C@H](C(=O)[N-]OCC(=C)C)c1ccccc1	ZINC001164455256	1133220231	/nfs/dbraw/zinc/22/02/31/1133220231.db2.gz	NNSDINDDKBBVDX-INIZCTEOSA-N	-1	0	273.376	3.750	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC001203292406	1133311871	/nfs/dbraw/zinc/31/18/71/1133311871.db2.gz	HRISVIMDTHWDCK-JTQLQIEISA-N	-1	0	284.290	3.895	20	30		CHEDRM
C#Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1F	ZINC001203328343	1133315262	/nfs/dbraw/zinc/31/52/62/1133315262.db2.gz	RHXMIBXLFQWXEK-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)c(F)c1	ZINC001205089301	1133528151	/nfs/dbraw/zinc/52/81/51/1133528151.db2.gz	RTGSGVQPONUBBU-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001205100624	1133530347	/nfs/dbraw/zinc/53/03/47/1133530347.db2.gz	UCWZSLRPEVCAAF-VIFPVBQESA-N	-1	0	287.265	3.957	20	30		CHEDRM
O=C([O-])c1sccc1-c1cccc(CS)c1	ZINC001205605208	1133594350	/nfs/dbraw/zinc/59/43/50/1133594350.db2.gz	GKXMXRQFXFTOOL-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1ccsc1C(=O)[O-]	ZINC001205605186	1133594390	/nfs/dbraw/zinc/59/43/90/1133594390.db2.gz	GAIUOPHNEUVNCX-UHFFFAOYSA-N	-1	0	295.266	3.586	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001206058120	1133651042	/nfs/dbraw/zinc/65/10/42/1133651042.db2.gz	GVGMEIFMGUQWPY-QGMBQPNBSA-N	-1	0	291.253	3.528	20	30		CHEDRM
COc1c(F)ccc(Nc2scc([O-])c2C#N)c1Cl	ZINC001209800982	1134068734	/nfs/dbraw/zinc/06/87/34/1134068734.db2.gz	AUMVGQWWGZNQSS-UHFFFAOYSA-N	-1	0	298.726	3.870	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)cc1	ZINC001210006716	1134120524	/nfs/dbraw/zinc/12/05/24/1134120524.db2.gz	CLQOSZQDLYLUEP-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1c(F)cccc1C#N	ZINC001210008634	1134121309	/nfs/dbraw/zinc/12/13/09/1134121309.db2.gz	RUONWMQFOVQDDK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C#CCOc1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)cc1	ZINC001210006996	1134121391	/nfs/dbraw/zinc/12/13/91/1134121391.db2.gz	HAZDINOKUXZAON-UHFFFAOYSA-N	-1	0	299.301	3.588	20	30		CHEDRM
N#Cc1cc(Nc2ccc3cccnc3c2)c([O-])cc1F	ZINC001210059462	1134139728	/nfs/dbraw/zinc/13/97/28/1134139728.db2.gz	YCJPDHLEDGTWDM-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)c(Cl)c1	ZINC001210072824	1134141503	/nfs/dbraw/zinc/14/15/03/1134141503.db2.gz	ZSYRXPYQZRMJCY-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210072423	1134141613	/nfs/dbraw/zinc/14/16/13/1134141613.db2.gz	XNADXVFZBGWVIZ-UHFFFAOYSA-N	-1	0	280.327	3.546	20	30		CHEDRM
N#Cc1cccc2c(Nc3ccc(C(=O)[O-])nc3)cccc12	ZINC001210176291	1134159760	/nfs/dbraw/zinc/15/97/60/1134159760.db2.gz	VYYWDDGLXBCKTR-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc([C@H](C)C#N)cc1	ZINC001210258960	1134179338	/nfs/dbraw/zinc/17/93/38/1134179338.db2.gz	WONSLAGCQHPAGD-LLVKDONJSA-N	-1	0	296.326	3.764	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210400176	1134209368	/nfs/dbraw/zinc/20/93/68/1134209368.db2.gz	DOWHTCUINCFPKM-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc(F)c(F)c2[O-])c1	ZINC001210540164	1134242578	/nfs/dbraw/zinc/24/25/78/1134242578.db2.gz	YBQLEDFVWJXURS-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CC(C)(C)n1ncc(C#N)c1Nc1cccc([O-])c1Cl	ZINC001210845212	1134312732	/nfs/dbraw/zinc/31/27/32/1134312732.db2.gz	VFBUMDQGCSJTCR-UHFFFAOYSA-N	-1	0	290.754	3.612	20	30		CHEDRM
COc1cc(C#N)c(F)cc1Nc1cccc([S-])c1	ZINC001210948083	1134336855	/nfs/dbraw/zinc/33/68/55/1134336855.db2.gz	COJIETABRMPLJI-UHFFFAOYSA-N	-1	0	274.320	3.738	20	30		CHEDRM
COc1cc(Nc2ccc([C@@H](C)C#N)cc2)cc(C(=O)[O-])c1	ZINC001213593137	1134466772	/nfs/dbraw/zinc/46/67/72/1134466772.db2.gz	YQJGFDILPCUQTF-NSHDSACASA-N	-1	0	296.326	3.764	20	30		CHEDRM
COc1cc(F)c(Nc2scc([O-])c2C#N)cc1Cl	ZINC001214060444	1134507801	/nfs/dbraw/zinc/50/78/01/1134507801.db2.gz	QVUKJJBAAFRDOB-UHFFFAOYSA-N	-1	0	298.726	3.870	20	30		CHEDRM
CC(C)(C)c1nc([N-]c2ccc(C#N)cc2Cl)no1	ZINC001213989843	1134503924	/nfs/dbraw/zinc/50/39/24/1134503924.db2.gz	RRHQZEFTGIVNAH-UHFFFAOYSA-N	-1	0	276.727	3.636	20	30		CHEDRM
C#Cc1cccc(Nc2cc(C(=O)[O-])ccc2OCC)c1	ZINC001214273606	1134526427	/nfs/dbraw/zinc/52/64/27/1134526427.db2.gz	HHCHXTOXRQHQLX-UHFFFAOYSA-N	-1	0	281.311	3.508	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])ccc2OCC)cc1F	ZINC001214279510	1134526957	/nfs/dbraw/zinc/52/69/57/1134526957.db2.gz	QMWOZHJFGOWWIX-UHFFFAOYSA-N	-1	0	299.301	3.648	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1	ZINC001214486691	1134544108	/nfs/dbraw/zinc/54/41/08/1134544108.db2.gz	UQMMIYFPOVAROQ-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1F	ZINC001214488789	1134544163	/nfs/dbraw/zinc/54/41/63/1134544163.db2.gz	LYHPKSHRRKTUBK-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1ncc(Cl)cc1Nc1c(Cl)ccc([O-])c1F	ZINC001214559324	1134551098	/nfs/dbraw/zinc/55/10/98/1134551098.db2.gz	MGXVPEOEHRYQSH-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
COc1c(F)cc(Nc2scc([O-])c2C#N)cc1Cl	ZINC001214969124	1134589465	/nfs/dbraw/zinc/58/94/65/1134589465.db2.gz	PDGSWZDXAJUEBZ-UHFFFAOYSA-N	-1	0	298.726	3.870	20	30		CHEDRM
COc1c(F)c(C)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001215603542	1134651854	/nfs/dbraw/zinc/65/18/54/1134651854.db2.gz	BNPBJMJWYWMCBJ-UHFFFAOYSA-N	-1	0	290.269	3.603	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1[N-]c1nnc(-c2ccco2)o1	ZINC001215645235	1134655075	/nfs/dbraw/zinc/65/50/75/1134655075.db2.gz	GPGIPWWAKSZWNJ-UHFFFAOYSA-N	-1	0	280.287	3.562	20	30		CHEDRM
CCc1cc([N-]c2nnc(C(C)(C)C)o2)ccc1C#N	ZINC001216313069	1134846421	/nfs/dbraw/zinc/84/64/21/1134846421.db2.gz	AHIPXSUCCWEVOF-UHFFFAOYSA-N	-1	0	270.336	3.545	20	30		CHEDRM
Cc1cc(Nc2c(F)cccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216311574	1134846862	/nfs/dbraw/zinc/84/68/62/1134846862.db2.gz	OAMDQUFCGSWDJH-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1c(Nc2cc(Cl)ccc2C#N)cccc1C(=O)[O-]	ZINC001216661301	1134941185	/nfs/dbraw/zinc/94/11/85/1134941185.db2.gz	FKYPCDVBAPYCJO-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1C	ZINC001216661500	1134941516	/nfs/dbraw/zinc/94/15/16/1134941516.db2.gz	IZHGGZWPTOCOQJ-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1c(Nc2c(F)cc(F)cc2C#N)cccc1C(=O)[O-]	ZINC001216663154	1134942256	/nfs/dbraw/zinc/94/22/56/1134942256.db2.gz	NHFXCIAXWVLNSI-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1	ZINC001216680754	1134943669	/nfs/dbraw/zinc/94/36/69/1134943669.db2.gz	CBIAMMQRSCEZIU-NSHDSACASA-N	-1	0	298.317	3.823	20	30		CHEDRM
Cc1cc(C)c(Nc2cc(CC(=O)[O-])ccc2F)cc1C#N	ZINC001216684622	1134944254	/nfs/dbraw/zinc/94/42/54/1134944254.db2.gz	FTXWCFMDMSNIKR-UHFFFAOYSA-N	-1	0	298.317	3.685	20	30		CHEDRM
C#CC[C@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940829	1135286724	/nfs/dbraw/zinc/28/67/24/1135286724.db2.gz	YAAMFQLSZREXLT-XZCCHYJMSA-N	-1	0	287.693	3.539	20	30		CHEDRM
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc([S-])cc1	ZINC001225555252	1135586957	/nfs/dbraw/zinc/58/69/57/1135586957.db2.gz	KNWAOIOLTZWAQK-NSHDSACASA-N	-1	0	280.389	3.641	20	30		CHEDRM
C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccccc1[S-]	ZINC001225584413	1135590707	/nfs/dbraw/zinc/59/07/07/1135590707.db2.gz	PWMXJOJTJCVUNX-LLVKDONJSA-N	-1	0	280.389	3.641	20	30		CHEDRM
C[C@H](C#C[Si](C)(C)C)Oc1cccc([S-])c1	ZINC001226014087	1135652576	/nfs/dbraw/zinc/65/25/76/1135652576.db2.gz	PANSRBWBDIIVHH-LLVKDONJSA-N	-1	0	250.439	3.623	20	30		CHEDRM
CC[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1F	ZINC001226222686	1135673978	/nfs/dbraw/zinc/67/39/78/1135673978.db2.gz	GOADTZJLKVCFLI-AWEZNQCLSA-N	-1	0	286.306	3.637	20	30		CHEDRM
Cc1cc(C#N)cc(Cl)c1O[C@@H](C)C1=CC=C[CH]1	ZINC001226595527	1135716774	/nfs/dbraw/zinc/71/67/74/1135716774.db2.gz	MOKLAWHNDOPVPC-NSHDSACASA-N	-1	0	258.728	3.988	20	30		CHEDRM
N#Cc1cc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])cs1	ZINC000517966250	260328066	/nfs/dbraw/zinc/32/80/66/260328066.db2.gz	VULRUFRLWGVHJU-NVXWUHKLSA-N	-1	0	295.363	3.575	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCCOCC1	ZINC000182699224	261948748	/nfs/dbraw/zinc/94/87/48/261948748.db2.gz	LDUOVOXBVXLTLN-FNQVVVRFSA-N	-1	0	288.174	3.687	20	30		CHEDRM
CC/C=C/CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000184438804	262020528	/nfs/dbraw/zinc/02/05/28/262020528.db2.gz	VNFCRWGRVKOTSY-VOTSOKGWSA-N	-1	0	275.396	3.699	20	30		CHEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000285775014	263095703	/nfs/dbraw/zinc/09/57/03/263095703.db2.gz	JPQFZSGYXMFLQM-LBPRGKRZSA-N	-1	0	287.146	3.577	20	30		CHEDRM
CC1(C)CCCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330774676	264034570	/nfs/dbraw/zinc/03/45/70/264034570.db2.gz	GVPOIPDZHPTCEH-CYBMUJFWSA-N	-1	0	292.335	3.574	20	30		CHEDRM
CC1(C)CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000330775758	264035253	/nfs/dbraw/zinc/03/52/53/264035253.db2.gz	HZYWZUJPPZWTNB-UHFFFAOYSA-N	-1	0	292.335	3.574	20	30		CHEDRM
C=CCCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000580053902	327685432	/nfs/dbraw/zinc/68/54/32/327685432.db2.gz	FSRWAKWNSSLXER-UHFFFAOYSA-N	-1	0	275.396	3.699	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000041502729	329565382	/nfs/dbraw/zinc/56/53/82/329565382.db2.gz	QQASOPFHLCSFKY-NSHDSACASA-N	-1	0	282.324	3.688	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)sc1C	ZINC000041547128	329566178	/nfs/dbraw/zinc/56/61/78/329566178.db2.gz	WVLJIKAYQGLCMS-NSHDSACASA-N	-1	0	296.351	3.996	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000262889689	330032573	/nfs/dbraw/zinc/03/25/73/330032573.db2.gz	AFVQNWIAIBQLDI-GFCCVEGCSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=CCCCc1nc(-c2ccc(O)cc2Cl)no1	ZINC000445443722	330355235	/nfs/dbraw/zinc/35/52/35/330355235.db2.gz	DGEZMOBNYCCWEH-UHFFFAOYSA-N	-1	0	264.712	3.604	20	30		CHEDRM
N#Cc1cccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)c1	ZINC000439272146	330736131	/nfs/dbraw/zinc/73/61/31/330736131.db2.gz	KKXNNQNDPVKHGB-QPJJXVBHSA-N	-1	0	290.278	3.568	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)CCC1	ZINC000450510975	330984459	/nfs/dbraw/zinc/98/44/59/330984459.db2.gz	OZVZFSSOWDUFAF-UHFFFAOYSA-N	-1	0	287.359	3.687	20	30		CHEDRM
CC#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000468327033	331432473	/nfs/dbraw/zinc/43/24/73/331432473.db2.gz	CRSCGAZYZLXYEI-UHFFFAOYSA-N	-1	0	286.158	3.831	20	30		CHEDRM
C=CCC[C@@H]([NH2+]Cc1ncccc1O)c1ccccc1	ZINC000564301208	334022006	/nfs/dbraw/zinc/02/20/06/334022006.db2.gz	IPKRASWEZXTUMQ-OAHLLOKOSA-N	-1	0	268.360	3.584	20	30		CHEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=CC(C)(C)C	ZINC000077880749	334117710	/nfs/dbraw/zinc/11/77/10/334117710.db2.gz	MRFAVRWCBYQYLM-IIANPFDCSA-N	-1	0	295.404	3.636	20	30		CHEDRM
C=CCOc1cccc(CNc2cc(C(=O)[O-])ccc2C)c1	ZINC000551057864	334237417	/nfs/dbraw/zinc/23/74/17/334237417.db2.gz	IPZAYJXFCWXJIR-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCOCC1	ZINC000330216020	534329631	/nfs/dbraw/zinc/32/96/31/534329631.db2.gz	HKCUVUVSPMCRRH-MRVPVSSYSA-N	-1	0	287.718	3.589	20	30		CHEDRM
Cc1cc2ccccc2nc1N=NC1CCC(C(=O)[O-])CC1	ZINC000814896123	598195846	/nfs/dbraw/zinc/19/58/46/598195846.db2.gz	JZVRANZSLNGVNO-UHFFFAOYSA-N	-1	0	297.358	3.586	20	30		CHEDRM
O=C([O-])c1ccccc1-c1ccc(C=NNC2CCCC2)o1	ZINC000740243603	599731484	/nfs/dbraw/zinc/73/14/84/599731484.db2.gz	ZFYIQIDUSWDERG-UHFFFAOYSA-N	-1	0	298.342	3.511	20	30		CHEDRM
N#Cc1ccccc1CNc1cc(Cl)cc(C(=O)[O-])c1	ZINC000739147618	600207070	/nfs/dbraw/zinc/20/70/70/600207070.db2.gz	XQGJVOBOLAKZOJ-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
C[C@H](Sc1cccc(C#N)c1)c1ccc(C(=O)[O-])o1	ZINC000827914800	601318933	/nfs/dbraw/zinc/31/89/33/601318933.db2.gz	GHGVITIEWLALRJ-VIFPVBQESA-N	-1	0	273.313	3.703	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000827112709	601330524	/nfs/dbraw/zinc/33/05/24/601330524.db2.gz	MJRUORNQLOSTDF-NTMALXAHSA-N	-1	0	283.327	3.732	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])s1	ZINC000059275088	601402225	/nfs/dbraw/zinc/40/22/25/601402225.db2.gz	IXHVZYQFEYHEFS-UHFFFAOYSA-N	-1	0	269.366	3.745	20	30		CHEDRM
COc1ccc(NCCCC(C)(C)C#N)cc1NC(=O)[O-]	ZINC000829480311	604269693	/nfs/dbraw/zinc/26/96/93/604269693.db2.gz	VXCRDXLSNVXQNW-UHFFFAOYSA-N	-1	0	291.351	3.527	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000201296837	604626039	/nfs/dbraw/zinc/62/60/39/604626039.db2.gz	NRQIKPMRZIPWHB-WDZFZDKYSA-N	-1	0	266.296	3.589	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1	ZINC000833309856	604630611	/nfs/dbraw/zinc/63/06/11/604630611.db2.gz	HENJRMYNISVDPD-HJWRWDBZSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(N=Nc1ccc(Cl)nc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814858597	604640679	/nfs/dbraw/zinc/64/06/79/604640679.db2.gz	DCYKBEXEARMBMU-SNVBAGLBSA-N	-1	0	297.786	3.804	20	30		CHEDRM
CC(C)[C@@H]1CC[C@@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763377683	604669856	/nfs/dbraw/zinc/66/98/56/604669856.db2.gz	STPIMLJTBVRZAL-YPMHNXCESA-N	-1	0	289.379	3.640	20	30		CHEDRM
C=CCCC[C@@H](C)OC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833373923	605021796	/nfs/dbraw/zinc/02/17/96/605021796.db2.gz	JCMKZPYEPWZSAF-LLVKDONJSA-N	-1	0	277.320	3.678	20	30		CHEDRM
C[C@H]1C[C@@H]1c1ccc(C=NNc2ccccc2C(=O)[O-])o1	ZINC000812446212	605098952	/nfs/dbraw/zinc/09/89/52/605098952.db2.gz	SFLYTVXMWAJFIH-GWCFXTLKSA-N	-1	0	284.315	3.547	20	30		CHEDRM
C[C@@H](CN=Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000812441936	605099248	/nfs/dbraw/zinc/09/92/48/605099248.db2.gz	JKHUKVNUCWCBSJ-LBPRGKRZSA-N	-1	0	268.316	3.586	20	30		CHEDRM
CC(C)(C)CCN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833429236	605156099	/nfs/dbraw/zinc/15/60/99/605156099.db2.gz	HBPXMGKEHMDLGP-UHFFFAOYSA-N	-1	0	268.744	3.872	20	30		CHEDRM
C=CCCSCc1coc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000833375127	605158903	/nfs/dbraw/zinc/15/89/03/605158903.db2.gz	WZYFTPCXZHJULV-UHFFFAOYSA-N	-1	0	289.356	3.849	20	30		CHEDRM
N#C[C@@H](SCC1CCN(C(=O)[O-])CC1)C1CCCCC1	ZINC000833964455	605407760	/nfs/dbraw/zinc/40/77/60/605407760.db2.gz	HLDAEDHNHKGTOO-CQSZACIVSA-N	-1	0	296.436	3.582	20	30		CHEDRM
C[C@H]1C[C@H]1c1ccc(C=NNc2cccc(C(=O)[O-])c2)o1	ZINC000732761498	605594679	/nfs/dbraw/zinc/59/46/79/605594679.db2.gz	GXCBILAHVZSKQN-IINYFYTJSA-N	-1	0	284.315	3.547	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C)s1	ZINC000833387031	605596213	/nfs/dbraw/zinc/59/62/13/605596213.db2.gz	LGNCORCRBIVNMP-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001589644826	949712372	/nfs/dbraw/zinc/71/23/72/949712372.db2.gz	AYPXBDZGAJLKIY-GJZGRUSLSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCC[C@@H](C)CNC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001589645354	949723294	/nfs/dbraw/zinc/72/32/94/949723294.db2.gz	YJDWPINFYAMKEM-DYVFJYSZSA-N	-1	0	297.439	3.600	20	30		CHEDRM
CCCCCCCCCN(C)C(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001589645309	949723444	/nfs/dbraw/zinc/72/34/44/949723444.db2.gz	UUSLSCRSLASDDU-QGZVFWFLSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCCCCCSc1nc(C(=O)[O-])cs1	ZINC000382163466	971802367	/nfs/dbraw/zinc/80/23/67/971802367.db2.gz	IULVVSXNNHXMSN-UHFFFAOYSA-N	-1	0	257.380	3.680	20	30		CHEDRM
CC1(c2ccccc2)CC(N=Nc2cccc(C(=O)[O-])c2)C1	ZINC000729632401	1125465697	/nfs/dbraw/zinc/46/56/97/1125465697.db2.gz	BGCLVTDIIOQHDA-UHFFFAOYSA-N	-1	0	294.354	3.904	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)C2CCCCC2)cc1	ZINC000007905579	956884495	/nfs/dbraw/zinc/88/44/95/956884495.db2.gz	HLWTWNSKZTZTSQ-DHZHZOJOSA-N	-1	0	258.317	3.547	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000104521253	958367121	/nfs/dbraw/zinc/36/71/21/958367121.db2.gz	ILALQFTZUNJSDQ-AWEZNQCLSA-N	-1	0	283.412	3.593	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)cc1	ZINC000221726348	959811074	/nfs/dbraw/zinc/81/10/74/959811074.db2.gz	LASJQORRWMTBCQ-YFHOEESVSA-N	-1	0	291.306	3.762	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1	ZINC001573325484	962797481	/nfs/dbraw/zinc/79/74/81/962797481.db2.gz	KISPZLXJXUVNMJ-UHFFFAOYSA-N	-1	0	295.338	3.599	20	30		CHEDRM
C=CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2	ZINC001573328491	962811498	/nfs/dbraw/zinc/81/14/98/962811498.db2.gz	IVUSPEQKLAIPEZ-UHFFFAOYSA-N	-1	0	293.388	3.620	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1	ZINC001573330448	962814729	/nfs/dbraw/zinc/81/47/29/962814729.db2.gz	ZSHULGXVDWZXCG-UHFFFAOYSA-N	-1	0	295.338	3.599	20	30		CHEDRM
C=CC[C@@H](S[C@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001573352389	962985474	/nfs/dbraw/zinc/98/54/74/962985474.db2.gz	BDLQSKWHKXAYSN-ZWNOBZJWSA-N	-1	0	266.362	3.519	20	30		CHEDRM
C=CCC1(C(=O)OCc2ccc(C(=O)[O-])o2)CCCCC1	ZINC001573352900	962994607	/nfs/dbraw/zinc/99/46/07/962994607.db2.gz	MRENRTTUUFUCPQ-UHFFFAOYSA-N	-1	0	292.331	3.548	20	30		CHEDRM
C=C[C@H](Nc1cccc(Oc2ccccc2)c1)C(=O)[O-]	ZINC000312588411	963576771	/nfs/dbraw/zinc/57/67/71/963576771.db2.gz	NLLOFPHCHZMCGP-HNNXBMFYSA-N	-1	0	269.300	3.530	20	30		CHEDRM
C#CCCCCCCNc1cc(C(=O)[O-])cc2cccnc21	ZINC001588441576	964052244	/nfs/dbraw/zinc/05/22/44/964052244.db2.gz	IQNQMZQMPBTXIF-UHFFFAOYSA-N	-1	0	296.370	3.929	20	30		CHEDRM
N#Cc1ccc(SCc2ccc(C(=O)[O-])cc2)cc1	ZINC001605612644	973926952	/nfs/dbraw/zinc/92/69/52/973926952.db2.gz	RFBCKQGORCUPJA-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
CC(CC(C)(C)CC(=O)[O-])N=Nc1cccc2cnccc21	ZINC001592445041	978108262	/nfs/dbraw/zinc/10/82/62/978108262.db2.gz	VQMVTUKOLYIVFP-UHFFFAOYSA-N	-1	0	299.374	3.914	20	30		CHEDRM
COc1ccc(C)cc1C(C)=NNc1cccc(C(=O)[O-])c1	ZINC000744555547	978678929	/nfs/dbraw/zinc/67/89/29/978678929.db2.gz	QDEBDOSJLOAPJK-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
CCCCCC1=C(N=Nc2ccc(C(=O)[O-])cn2)CCC1	ZINC000763372081	978722627	/nfs/dbraw/zinc/72/26/27/978722627.db2.gz	QRHVQQUTSYKSML-UHFFFAOYSA-N	-1	0	287.363	3.848	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCC[C@H]2c2ccccn2)c1	ZINC000794854623	978823123	/nfs/dbraw/zinc/82/31/23/978823123.db2.gz	JUNSWURADJGMAR-AWEZNQCLSA-N	-1	0	295.342	3.515	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(Cl)c(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814862755	978894598	/nfs/dbraw/zinc/89/45/98/978894598.db2.gz	QQKBXTZDWKMHOZ-BDAKNGLRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@H](CSc1ccc(C(=O)[O-])nc1C#N)c1ccccc1	ZINC001592829762	979550471	/nfs/dbraw/zinc/55/04/71/979550471.db2.gz	ANHXDZWSBSDHEC-LLVKDONJSA-N	-1	0	298.367	3.547	20	30		CHEDRM
CCCCCCCCCCN1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001595704618	982276959	/nfs/dbraw/zinc/27/69/59/982276959.db2.gz	DGKLMGNJPXJLQA-KBPBESRZSA-N	-1	0	273.392	3.624	20	30		CHEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588561707	983642822	/nfs/dbraw/zinc/64/28/22/983642822.db2.gz	ZCCJZCZQSSDWCL-UHFFFAOYSA-N	-1	0	298.342	3.578	20	30		CHEDRM
C=CC(C)(C)CCCNc1ncc(C(=O)[O-])cc1Cl	ZINC001588677102	983833350	/nfs/dbraw/zinc/83/33/50/983833350.db2.gz	QOLRZLJIDFSSII-UHFFFAOYSA-N	-1	0	282.771	3.838	20	30		CHEDRM
C=C[C@H](Nc1cccc(COc2ccccc2)c1C)C(=O)[O-]	ZINC001588702214	983919440	/nfs/dbraw/zinc/91/94/40/983919440.db2.gz	MVMFFMCFHWENRP-INIZCTEOSA-N	-1	0	297.354	3.625	20	30		CHEDRM
C=CC[C@@H](S[C@@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588758284	984105391	/nfs/dbraw/zinc/10/53/91/984105391.db2.gz	FHMCGLZDFKEPMA-GXFFZTMASA-N	-1	0	266.362	3.519	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])ccc2C)CCCC1	ZINC001588765331	984126159	/nfs/dbraw/zinc/12/61/59/984126159.db2.gz	XRRCYIXAHWDSTK-UHFFFAOYSA-N	-1	0	287.359	3.768	20	30		CHEDRM
C=CCC[C@@H](Nc1cc(CC(=O)[O-])ccn1)c1ccccc1	ZINC001588778711	984162604	/nfs/dbraw/zinc/16/26/04/984162604.db2.gz	JPBCSWAEDIEVNO-MRXNPFEDSA-N	-1	0	296.370	3.828	20	30		CHEDRM
C=CCCCC(=O)Nc1cccc2cc(C(=O)[O-])sc21	ZINC001588782563	984172909	/nfs/dbraw/zinc/17/29/09/984172909.db2.gz	IZHXIBMBQKMCED-UHFFFAOYSA-N	-1	0	289.356	3.894	20	30		CHEDRM
C=CCCCC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588782832	984174738	/nfs/dbraw/zinc/17/47/38/984174738.db2.gz	NUMGSXGABYECDE-UHFFFAOYSA-N	-1	0	283.327	3.833	20	30		CHEDRM
C=CCN(Cc1ccc(C(=O)[O-])c(C)c1)c1ccccc1	ZINC001588829294	984312925	/nfs/dbraw/zinc/31/29/25/984312925.db2.gz	PBBDKABNLVHYHE-UHFFFAOYSA-N	-1	0	281.355	3.886	20	30		CHEDRM
N#CC(=C([O-])c1ccsc1)c1nc(C2CC2)cs1	ZINC000647374153	1119701448	/nfs/dbraw/zinc/70/14/48/1119701448.db2.gz	XEFRMOQDRGXUBD-SNVBAGLBSA-N	-1	0	274.370	3.572	20	30		CHEDRM
CC(C)(C)CCNN=C1CCC[C@H](CCCC(=O)[O-])C1	ZINC001589776715	988137937	/nfs/dbraw/zinc/13/79/37/988137937.db2.gz	CQUUGFJIDOZZKL-CYBMUJFWSA-N	-1	0	282.428	3.813	20	30		CHEDRM
CSc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1C(=O)[O-]	ZINC001599820754	988509072	/nfs/dbraw/zinc/50/90/72/988509072.db2.gz	LNPJRMUXOOGLDK-JTQLQIEISA-N	-1	0	292.404	3.847	20	30		CHEDRM
CC(C)(CCN=Nc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC001590653694	990343156	/nfs/dbraw/zinc/34/31/56/990343156.db2.gz	DQJIHQKFAUUYGG-UHFFFAOYSA-N	-1	0	288.269	3.604	20	30		CHEDRM
C[C@@H](NN=C1CCC[C@H](CCCC(=O)[O-])C1)C(C)(C)C	ZINC001593318165	994828696	/nfs/dbraw/zinc/82/86/96/994828696.db2.gz	BLQRDAJFKVFJNZ-CHWSQXEVSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@H](SCc1cccc(C(=O)[O-])n1)c1ccc(C#N)cc1	ZINC001593661524	996038354	/nfs/dbraw/zinc/03/83/54/996038354.db2.gz	DSSIIVLNGXEYHM-NSHDSACASA-N	-1	0	298.367	3.646	20	30		CHEDRM
CC1(C)C/C(=C\c2c[nH]c(C(=O)[O-])c2)C(=O)c2ccccc21	ZINC001593842562	996604247	/nfs/dbraw/zinc/60/42/47/996604247.db2.gz	PODSMWGPKKNRQB-KPKJPENVSA-N	-1	0	295.338	3.661	20	30		CHEDRM
CC1(C)CCC[C@@H]1NN=Cc1cc(C(=O)[O-])ccc1Cl	ZINC001593904769	996783696	/nfs/dbraw/zinc/78/36/96/996783696.db2.gz	KSISIIPVONQYPQ-ZDUSSCGKSA-N	-1	0	294.782	3.540	20	30		CHEDRM
C[C@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1CC(=O)[O-]	ZINC001594120313	998268083	/nfs/dbraw/zinc/26/80/83/998268083.db2.gz	DYTKGHWWITYFKJ-CHWSQXEVSA-N	-1	0	294.439	3.621	20	30		CHEDRM
C[C@@H]1C/C(=C/c2cc(C(=O)[O-])co2)C(=O)c2ccccc21	ZINC001594195989	998760043	/nfs/dbraw/zinc/76/00/43/998760043.db2.gz	FNKYGVNWQKPUTI-PAKSIRSJSA-N	-1	0	282.295	3.751	20	30		CHEDRM
C[C@@H]1CCC[C@H](CN=Nc2cccc(F)c2C(=O)[O-])C1	ZINC001594345151	999305151	/nfs/dbraw/zinc/30/51/51/999305151.db2.gz	NPIAHLHMFMPFKN-MNOVXSKESA-N	-1	0	278.327	3.748	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1ccsc1C(=O)[O-]	ZINC001215395995	1134623619	/nfs/dbraw/zinc/62/36/19/1134623619.db2.gz	UPVRLGVBIZHOCG-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1ccc(O)c(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214801302	1134574794	/nfs/dbraw/zinc/57/47/94/1134574794.db2.gz	IRMBKDXUOFCYBU-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1ccc(Cl)c([O-])c1F	ZINC001214802179	1134575604	/nfs/dbraw/zinc/57/56/04/1134575604.db2.gz	WLXGEFMVANZNDY-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
C=CCC(CC=C)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225880277	1135633226	/nfs/dbraw/zinc/63/32/26/1135633226.db2.gz	SKGZIDPGOYGQCN-UHFFFAOYSA-N	-1	0	276.229	3.848	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211965051	1125531786	/nfs/dbraw/zinc/53/17/86/1125531786.db2.gz	LEIVFGVLLSPRRN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#CCc1ccccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211967064	1125537078	/nfs/dbraw/zinc/53/70/78/1125537078.db2.gz	UKRIFFJMMSGHHN-UHFFFAOYSA-N	-1	0	286.718	3.848	20	30		CHEDRM
C[C@H]([NH2+]CC1(C#N)CCCCC1)c1c([O-])cccc1F	ZINC000886638382	1125700637	/nfs/dbraw/zinc/70/06/37/1125700637.db2.gz	SEMMYWJSBWNBIU-LBPRGKRZSA-N	-1	0	276.355	3.656	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C2CCC2)n1	ZINC000088817888	1129211055	/nfs/dbraw/zinc/21/10/55/1129211055.db2.gz	JYSLSTACCLTXSL-LLVKDONJSA-N	-1	0	260.362	3.553	20	30		CHEDRM
N#Cc1csc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c1	ZINC000485975469	1126964695	/nfs/dbraw/zinc/96/46/95/1126964695.db2.gz	JUWTYUMDCUCQDK-RQOWECAXSA-N	-1	0	296.307	3.630	20	30		CHEDRM
CC[C@H](C)CON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814939114	1130940998	/nfs/dbraw/zinc/94/09/98/1130940998.db2.gz	FNLKRTPTKPQAAA-UHTWSYAYSA-N	-1	0	269.385	3.562	20	30		CHEDRM
O=C(/C=C/C=C/c1ccccc1)c1ccc(O)cc1[O-]	ZINC000156625705	1127162909	/nfs/dbraw/zinc/16/29/09/1127162909.db2.gz	CGPOFQXGTXKVFC-KBXRYBNXSA-N	-1	0	266.296	3.550	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c([O-])c1	ZINC000156705167	1127165586	/nfs/dbraw/zinc/16/55/86/1127165586.db2.gz	ZQHIUNRNYYTKDS-FNORWQNLSA-N	-1	0	269.325	3.530	20	30		CHEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1	ZINC000045098661	1127182838	/nfs/dbraw/zinc/18/28/38/1127182838.db2.gz	VLVAUCOVUDCYGL-UHFFFAOYSA-N	-1	0	297.420	3.721	20	30		CHEDRM
[O-]c1cc(F)c(-c2cccc(/C=N/O)c2)cc1Cl	ZINC001245672765	1131123151	/nfs/dbraw/zinc/12/31/51/1131123151.db2.gz	ZYXQEBMDIWVYTR-FRKPEAEDSA-N	-1	0	265.671	3.660	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCC1	ZINC000287128146	1127290525	/nfs/dbraw/zinc/29/05/25/1127290525.db2.gz	ZFFZAFHJCAUYMT-UHFFFAOYSA-N	-1	0	283.730	3.870	20	30		CHEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1	ZINC000592973352	1127363970	/nfs/dbraw/zinc/36/39/70/1127363970.db2.gz	DNFUAZANUXGTKM-SNVBAGLBSA-N	-1	0	299.330	3.562	20	30		CHEDRM
CC[C@H](Cc1cccc(-c2csc(C#N)c2)c1)C(=O)[O-]	ZINC000594871981	1127431146	/nfs/dbraw/zinc/43/11/46/1127431146.db2.gz	LRCNTOMQQSTFDU-GFCCVEGCSA-N	-1	0	285.368	3.940	20	30		CHEDRM
N#CC(=C([O-])C1=CCCC1)c1nc2cc(F)ccc2s1	ZINC000761166156	1127488258	/nfs/dbraw/zinc/48/82/58/1127488258.db2.gz	JSPOUYDDGLADAK-LLVKDONJSA-N	-1	0	286.331	3.722	20	30		CHEDRM
C=CCCCSc1n[n-]c(=Nc2ccccc2F)s1	ZINC000605075976	1127728305	/nfs/dbraw/zinc/72/83/05/1127728305.db2.gz	BFAVDSCWOARQTK-UHFFFAOYSA-N	-1	0	295.408	3.901	20	30		CHEDRM
CCC[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000173915724	1127860375	/nfs/dbraw/zinc/86/03/75/1127860375.db2.gz	YTPPHODUAQWQND-BXUZGUMPSA-N	-1	0	296.370	3.804	20	30		CHEDRM
O=C(/C=C\c1ccc(Cl)nc1Cl)c1ccccc1[O-]	ZINC000761478352	1128111107	/nfs/dbraw/zinc/11/11/07/1128111107.db2.gz	DQINJWHEKWFRDS-ALCCZGGFSA-N	-1	0	294.137	3.990	20	30		CHEDRM
O=C([O-])c1c(F)ccc(-c2cccc(CS)c2)c1F	ZINC001205106306	1128185752	/nfs/dbraw/zinc/18/57/52/1128185752.db2.gz	CVUIXZOJWGVXCL-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
C=CCC[C@@H](C(=O)[N-]OC1CCCC1)c1ccccc1	ZINC000777819732	1128283932	/nfs/dbraw/zinc/28/39/32/1128283932.db2.gz	ZCQAIMLKXOZWAS-MRXNPFEDSA-N	-1	0	273.376	3.727	20	30		CHEDRM
Cc1ccc(F)cc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000777916049	1128323211	/nfs/dbraw/zinc/32/32/11/1128323211.db2.gz	TYTNWUYTZOVQIE-VQHVLOKHSA-N	-1	0	298.313	3.657	20	30		CHEDRM
Cc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916259555	1128412983	/nfs/dbraw/zinc/41/29/83/1128412983.db2.gz	ORLRUSRVYZGYSF-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
Cc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)s1	ZINC000915988697	1128401676	/nfs/dbraw/zinc/40/16/76/1128401676.db2.gz	BYRUDGPOBXFKDA-NTUHNPAUSA-N	-1	0	272.325	3.687	20	30		CHEDRM
CCCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255303	1128412366	/nfs/dbraw/zinc/41/23/66/1128412366.db2.gz	QPVSCRXYZRUPOE-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C)s1	ZINC000917022684	1128468283	/nfs/dbraw/zinc/46/82/83/1128468283.db2.gz	QWSPPWTXDNTVMF-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
Cc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000917559272	1128505727	/nfs/dbraw/zinc/50/57/27/1128505727.db2.gz	JGIFLRVOAQAIGK-NJPLLEPOSA-N	-1	0	284.315	3.789	20	30		CHEDRM
CC[C@@H](Cc1ccccc1-c1csc(C#N)c1)C(=O)[O-]	ZINC000565235817	1128522328	/nfs/dbraw/zinc/52/23/28/1128522328.db2.gz	IVKQKFCMGBDBQI-NSHDSACASA-N	-1	0	285.368	3.940	20	30		CHEDRM
N#CC(=C([O-])c1cccc(Cl)c1)c1nc2ccccc2o1	ZINC000041546251	1128547381	/nfs/dbraw/zinc/54/73/81/1128547381.db2.gz	NKNDSFZGXLZBKS-LBPRGKRZSA-N	-1	0	296.713	3.971	20	30		CHEDRM
CCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)sc1C	ZINC000041574574	1128548343	/nfs/dbraw/zinc/54/83/43/1128548343.db2.gz	YUEYXMQCTJDZKA-CYBMUJFWSA-N	-1	0	299.399	3.516	20	30		CHEDRM
O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708631	1128664413	/nfs/dbraw/zinc/66/44/13/1128664413.db2.gz	IKGXRGWYQDFYKP-UHFFFAOYSA-N	-1	0	295.404	3.692	20	30		CHEDRM
Cc1cccc2[nH]cc(C=NNc3ccc(C(=O)[O-])cc3)c21	ZINC000920359407	1128677989	/nfs/dbraw/zinc/67/79/89/1128677989.db2.gz	LUTONPQPEFVAJQ-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
C[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1C	ZINC000920943103	1128695694	/nfs/dbraw/zinc/69/56/94/1128695694.db2.gz	NMLWONCHPJZJMC-JFNAFIFTSA-N	-1	0	276.336	3.544	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccc(Cl)c(F)c2)cc1	ZINC000921255353	1128704334	/nfs/dbraw/zinc/70/43/34/1128704334.db2.gz	ZQFVOPPWOLLWKX-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)c1	ZINC000175319918	1128723602	/nfs/dbraw/zinc/72/36/02/1128723602.db2.gz	GQEZBSCFNFKKOA-AATRIKPKSA-N	-1	0	274.266	3.875	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000671278966	1117790899	/nfs/dbraw/zinc/79/08/99/1117790899.db2.gz	RBVLCUSYZYXTIC-CQSZACIVSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)s1	ZINC000175322081	1117865456	/nfs/dbraw/zinc/86/54/56/1117865456.db2.gz	VWGFSQAMXIFHLI-ONEGZZNKSA-N	-1	0	280.295	3.936	20	30		CHEDRM
Cc1ccsc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255051522	1118051137	/nfs/dbraw/zinc/05/11/37/1118051137.db2.gz	ORSIWBYZDINYLN-PLNGDYQASA-N	-1	0	289.312	3.566	20	30		CHEDRM
N#CCc1c(F)cccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239364833	1118188852	/nfs/dbraw/zinc/18/88/52/1118188852.db2.gz	JMEJQJRDLMLEHA-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2cccc([S-])c2)cn1	ZINC001210945429	1118427723	/nfs/dbraw/zinc/42/77/23/1118427723.db2.gz	RHIPGTHHBFIAOI-UHFFFAOYSA-N	-1	0	269.373	3.915	20	30		CHEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480293	1118910511	/nfs/dbraw/zinc/91/05/11/1118910511.db2.gz	QUKCSBUBBMBZGZ-XQRVVYSFSA-N	-1	0	277.707	3.547	20	30		CHEDRM
N#Cc1ccccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480311	1118910967	/nfs/dbraw/zinc/91/09/67/1118910967.db2.gz	ZUSDNIUKFCCZGZ-ALCCZGGFSA-N	-1	0	283.714	3.813	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(C)cc(C(=O)[O-])c2)s1	ZINC001211535063	1118934895	/nfs/dbraw/zinc/93/48/95/1118934895.db2.gz	MAOOVORLMFQNKJ-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1cc(Nc2ccc(Cl)cc2C#N)cc(C(=O)[O-])c1	ZINC001211545051	1119078803	/nfs/dbraw/zinc/07/88/03/1119078803.db2.gz	PUXXBSRYUBZWOQ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)c1	ZINC000048505658	1119080829	/nfs/dbraw/zinc/08/08/29/1119080829.db2.gz	HDSBMNGDMUSNLL-UHFFFAOYSA-N	-1	0	295.404	3.611	20	30		CHEDRM
Cc1cc(Nc2c(C#N)ccc(F)c2F)cc(C(=O)[O-])c1	ZINC001211549304	1119116278	/nfs/dbraw/zinc/11/62/78/1119116278.db2.gz	JLTXTUPMDMWTJM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1csc(Nc2ccc(C)c(C(=O)[O-])c2)c1C#N	ZINC001211591829	1119388672	/nfs/dbraw/zinc/38/86/72/1119388672.db2.gz	DMDDAMKCWVHKTR-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C)c(C(=O)[O-])c2)s1	ZINC001211594157	1119397117	/nfs/dbraw/zinc/39/71/17/1119397117.db2.gz	NQXPPNYWXUETKJ-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211603896	1119440381	/nfs/dbraw/zinc/44/03/81/1119440381.db2.gz	JENKVRBWHQFJNN-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)c(C)cc2C)cc1C(=O)[O-]	ZINC001211610507	1119480472	/nfs/dbraw/zinc/48/04/72/1119480472.db2.gz	ZLWXFMHTYLJRRQ-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1nc2ccc(Nc3scc([O-])c3C#N)cc2o1	ZINC001213064845	1119511477	/nfs/dbraw/zinc/51/14/77/1119511477.db2.gz	JXDLWIDXAYHKAV-UHFFFAOYSA-N	-1	0	271.301	3.519	20	30		CHEDRM
O=C(/C=C\c1cccc(F)c1F)c1ccc([O-])c(F)c1	ZINC000255594265	1119534200	/nfs/dbraw/zinc/53/42/00/1119534200.db2.gz	NEHFSDJQLLMJNZ-XQRVVYSFSA-N	-1	0	278.229	3.706	20	30		CHEDRM
N#CC(=C([O-])c1cccs1)c1nc(C2CC2)cs1	ZINC000647371725	1119699737	/nfs/dbraw/zinc/69/97/37/1119699737.db2.gz	XJTRGPBTLLHKFM-SECBINFHSA-N	-1	0	274.370	3.572	20	30		CHEDRM
CSc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000107407861	1120291797	/nfs/dbraw/zinc/29/17/97/1120291797.db2.gz	HRDXDMFUOCPFNE-QMMMGPOBSA-N	-1	0	294.426	3.725	20	30		CHEDRM
C[C@H]1CC(C)(C)CC1N=Nc1ccccc1C(=O)[O-]	ZINC000766002917	1120616040	/nfs/dbraw/zinc/61/60/40/1120616040.db2.gz	RGUZIACKUYVSQA-JTQLQIEISA-N	-1	0	260.337	3.609	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)cc1	ZINC000070029213	1128931825	/nfs/dbraw/zinc/93/18/25/1128931825.db2.gz	PWCXPTGWGTUKAR-CYBMUJFWSA-N	-1	0	297.420	3.713	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])s2)cc1F	ZINC001174812455	1121058152	/nfs/dbraw/zinc/05/81/52/1121058152.db2.gz	JVHQIZNQPMYUGP-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
N#C[C@H]1CC[C@H](Nc2cc(F)ccc2[S-])CC1	ZINC001167844922	1121081789	/nfs/dbraw/zinc/08/17/89/1121081789.db2.gz	DFAGCGYMKMKFQN-HOMQSWHASA-N	-1	0	250.342	3.609	20	30		CHEDRM
N#Cc1cc(Nc2cccc3ncccc32)c([O-])cc1F	ZINC001174909177	1121088653	/nfs/dbraw/zinc/08/86/53/1121088653.db2.gz	KOJBQRRCGCPJFY-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)o1	ZINC000674300096	1121115393	/nfs/dbraw/zinc/11/53/93/1121115393.db2.gz	ZATMCKOAPIXVPT-AWEZNQCLSA-N	-1	0	290.322	3.935	20	30		CHEDRM
COc1c(C)cc(Nc2scc([O-])c2C#N)cc1C	ZINC001174998420	1121125813	/nfs/dbraw/zinc/12/58/13/1121125813.db2.gz	WPNSSXITMXBVGM-UHFFFAOYSA-N	-1	0	274.345	3.694	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1Cl	ZINC001174982198	1121140127	/nfs/dbraw/zinc/14/01/27/1121140127.db2.gz	KJQCTNANHJYSPR-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(C)c1	ZINC001174983964	1121141258	/nfs/dbraw/zinc/14/12/58/1121141258.db2.gz	GHZAQEDAWBFRKC-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
COc1cc(C)c(Nc2scc([O-])c2C#N)cc1C	ZINC001175110219	1121169035	/nfs/dbraw/zinc/16/90/35/1121169035.db2.gz	FPCBSCSSDFRYBT-UHFFFAOYSA-N	-1	0	274.345	3.694	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175222086	1121228948	/nfs/dbraw/zinc/22/89/48/1121228948.db2.gz	RLTQFGQYZKVKKL-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2ccncc2c1	ZINC001175701529	1121419026	/nfs/dbraw/zinc/41/90/26/1121419026.db2.gz	LDOGCNUWBYFRRU-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1Cl	ZINC001175778356	1121463004	/nfs/dbraw/zinc/46/30/04/1121463004.db2.gz	XJKHSGBMYMSKFP-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1ccc(Nc2cncc(C(=O)[O-])c2)c2ccccc12	ZINC001175841962	1121471041	/nfs/dbraw/zinc/47/10/41/1121471041.db2.gz	HTIZAKHNHZTAIV-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cccc(C)c1)CC2	ZINC000141558861	1121478260	/nfs/dbraw/zinc/47/82/60/1121478260.db2.gz	ZXGLVOFXPFABJS-UKTHLTGXSA-N	-1	0	296.322	3.807	20	30		CHEDRM
CCOc1cc(F)c(F)cc1Nc1scc([O-])c1C#N	ZINC001211798894	1121599126	/nfs/dbraw/zinc/59/91/26/1121599126.db2.gz	MCZPEBIRAMXLIQ-UHFFFAOYSA-N	-1	0	296.298	3.746	20	30		CHEDRM
Cc1csc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001176583007	1121647520	/nfs/dbraw/zinc/64/75/20/1121647520.db2.gz	UOLWADUHVGKPSV-UHFFFAOYSA-N	-1	0	298.367	3.788	20	30		CHEDRM
Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1C#N	ZINC001176590733	1121649205	/nfs/dbraw/zinc/64/92/05/1121649205.db2.gz	VIDALTOGTSFIEV-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F	ZINC001176597484	1121667641	/nfs/dbraw/zinc/66/76/41/1121667641.db2.gz	QQGAORLLUUGWDB-BJMVGYQFSA-N	-1	0	281.286	3.648	20	30		CHEDRM
O=C([O-])c1ccc(N=NC(Cc2ccccc2)C2CC2)cc1	ZINC000729145442	1121757944	/nfs/dbraw/zinc/75/79/44/1121757944.db2.gz	LFHQMWPEKQTLIB-UHFFFAOYSA-N	-1	0	294.354	3.805	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cccc(Cl)c2)cs1	ZINC000730148929	1121794301	/nfs/dbraw/zinc/79/43/01/1121794301.db2.gz	QABWRBUKNHECPH-SNAWJCMRSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C=CC[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225563156	1121849000	/nfs/dbraw/zinc/84/90/00/1121849000.db2.gz	RNIXQMFXICTNNN-LLVKDONJSA-N	-1	0	276.723	3.532	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1C	ZINC000731156878	1121850893	/nfs/dbraw/zinc/85/08/93/1121850893.db2.gz	OHXICVXSVNONPZ-SREVYHEPSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1F	ZINC000731489678	1121870267	/nfs/dbraw/zinc/87/02/67/1121870267.db2.gz	JFVNECSQQBISRV-XQRVVYSFSA-N	-1	0	274.266	3.875	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774117441	1122126569	/nfs/dbraw/zinc/12/65/69/1122126569.db2.gz	VUOQJEVSUVWUCC-HJWRWDBZSA-N	-1	0	280.323	3.898	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(F)cc2F)c1	ZINC000774119857	1122129465	/nfs/dbraw/zinc/12/94/65/1122129465.db2.gz	OJEJWZNRSSATCD-DAXSKMNVSA-N	-1	0	288.249	3.559	20	30		CHEDRM
Cc1cccc2c1C/C(=C\c1cccc(C(=O)[O-])c1)C2=O	ZINC000774140149	1122129864	/nfs/dbraw/zinc/12/98/64/1122129864.db2.gz	SZKLTHDDHRTFIS-NTEUORMPSA-N	-1	0	278.307	3.516	20	30		CHEDRM
N#CCCCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC001250061799	1122169526	/nfs/dbraw/zinc/16/95/26/1122169526.db2.gz	CLSAUOLOYUVEES-UHFFFAOYSA-N	-1	0	265.312	3.898	20	30		CHEDRM
N#Cc1oc2ccccc2c1NC(=O)c1cccc([S-])c1	ZINC001186130762	1122376215	/nfs/dbraw/zinc/37/62/15/1122376215.db2.gz	ZPVDSRAHEPYLGZ-UHFFFAOYSA-N	-1	0	294.335	3.845	20	30		CHEDRM
N#Cc1cc(C(=O)Nc2ccc(F)c(C3CC3)c2)ccc1[O-]	ZINC001193513135	1122696250	/nfs/dbraw/zinc/69/62/50/1122696250.db2.gz	ZGBPKAGFKGDQNH-UHFFFAOYSA-N	-1	0	296.301	3.533	20	30		CHEDRM
N#Cc1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc1	ZINC000439269742	1122766345	/nfs/dbraw/zinc/76/63/45/1122766345.db2.gz	DDMIWTHJVAINPI-YVMONPNESA-N	-1	0	290.278	3.568	20	30		CHEDRM
CC1(C)SC[C@@H]1/N=C(/[O-])Nc1nc2ccsc2s1	ZINC000328733403	1123109406	/nfs/dbraw/zinc/10/94/06/1123109406.db2.gz	HTCSNPCHHSSFGH-ZETCQYMHSA-N	-1	0	299.446	3.578	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/CCc3ccc(F)cc3C2=O)cc1	ZINC000776191647	1123112633	/nfs/dbraw/zinc/11/26/33/1123112633.db2.gz	FBUGMMJSIZLLHG-ZROIWOOFSA-N	-1	0	296.297	3.736	20	30		CHEDRM
CC(C)(C#N)c1ccc(C(=O)Nc2cccc(O)c2F)cc1	ZINC000335754746	1123422508	/nfs/dbraw/zinc/42/25/08/1123422508.db2.gz	OESINBLEGPDFFI-UHFFFAOYSA-N	-1	0	298.317	3.585	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909511369	1123428635	/nfs/dbraw/zinc/42/86/35/1123428635.db2.gz	SKLVIICOVZPYAY-UHFFFAOYSA-N	-1	0	275.348	3.542	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC(=C3CCC3)CC2)cn1	ZINC000853354283	1123435998	/nfs/dbraw/zinc/43/59/98/1123435998.db2.gz	CMGAIYDJPOOHBO-UHFFFAOYSA-N	-1	0	285.347	3.602	20	30		CHEDRM
CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000084692404	1129154207	/nfs/dbraw/zinc/15/42/07/1129154207.db2.gz	OWPOCBAYAIQUHH-UHFFFAOYSA-N	-1	0	297.420	3.545	20	30		CHEDRM
CC(C)n1nccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000794943906	1124093559	/nfs/dbraw/zinc/09/35/59/1124093559.db2.gz	AHRKELQZQXWCJQ-XQRVVYSFSA-N	-1	0	290.750	3.719	20	30		CHEDRM
Cc1c(N=NC[C@H]2CCC(F)(F)C2)cccc1C(=O)[O-]	ZINC000872387056	1124711702	/nfs/dbraw/zinc/71/17/02/1124711702.db2.gz	JWOYWZGDCIBTPC-JTQLQIEISA-N	-1	0	282.290	3.526	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1ccc(C(=O)[O-])cc1F	ZINC001239247053	1131306553	/nfs/dbraw/zinc/30/65/53/1131306553.db2.gz	KSBYONBRERQZEW-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
CCn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001123337432	1131311274	/nfs/dbraw/zinc/31/12/74/1131311274.db2.gz	QNURJRKHVZFWOK-ODUNQGDFSA-N	-1	0	289.354	3.513	20	30		CHEDRM
N#CCc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1F	ZINC001239346681	1131320202	/nfs/dbraw/zinc/32/02/02/1131320202.db2.gz	XJOPVRPBGXESCI-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#CCc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1	ZINC001239345753	1131320619	/nfs/dbraw/zinc/32/06/19/1131320619.db2.gz	DYYXFTRNBBFYPP-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1	ZINC000007717570	1125006241	/nfs/dbraw/zinc/00/62/41/1125006241.db2.gz	DKTUHVGKFBXDLC-FPYGCLRLSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CCC(CC)(CNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000137655928	1125227314	/nfs/dbraw/zinc/22/73/14/1125227314.db2.gz	MVEKGOIBEISTDE-UHFFFAOYSA-N	-1	0	280.755	3.515	20	30		CHEDRM
N#Cc1cccc(-c2ccc(C(=O)[O-])cc2Cl)c1	ZINC000149053375	1125409690	/nfs/dbraw/zinc/40/96/90/1125409690.db2.gz	JNEZKGDGEXQJML-UHFFFAOYSA-N	-1	0	257.676	3.577	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])cnc1Cl	ZINC000760262152	1125416304	/nfs/dbraw/zinc/41/63/04/1125416304.db2.gz	BDVSKVKVFSHGLR-DJWKRKHSSA-N	-1	0	291.709	3.784	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2cc(C)ccc2C)n1	ZINC000041520059	1125433655	/nfs/dbraw/zinc/43/36/55/1125433655.db2.gz	QAGJXKNNIFWIIM-ZDUSSCGKSA-N	-1	0	270.357	3.558	20	30		CHEDRM
C=CCN(C(=O)c1ccc(Cl)cc1[O-])c1ccccc1	ZINC000641896860	1129396490	/nfs/dbraw/zinc/39/64/90/1129396490.db2.gz	GVKIKMKCOZJAEE-UHFFFAOYSA-N	-1	0	287.746	3.878	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1	ZINC000741845668	1129456096	/nfs/dbraw/zinc/45/60/96/1129456096.db2.gz	VIEUCVCOPHQGGB-PZEKQYFXSA-N	-1	0	288.347	3.688	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1	ZINC000741845672	1129456225	/nfs/dbraw/zinc/45/62/25/1129456225.db2.gz	VIEUCVCOPHQGGB-RQSUVKSXSA-N	-1	0	288.347	3.688	20	30		CHEDRM
CCC(Cc1ccccc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000745805965	1129617054	/nfs/dbraw/zinc/61/70/54/1129617054.db2.gz	GKCMJZRRUAXKOQ-UHFFFAOYSA-N	-1	0	282.343	3.805	20	30		CHEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000746368551	1129651008	/nfs/dbraw/zinc/65/10/08/1129651008.db2.gz	LFUOFLHTSSFTHN-GFCCVEGCSA-N	-1	0	282.343	3.976	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccccc1	ZINC000746367919	1129651380	/nfs/dbraw/zinc/65/13/80/1129651380.db2.gz	RQXRZTDZMKRLJL-LBPRGKRZSA-N	-1	0	282.343	3.976	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(Cl)c([O-])c2)c1	ZINC001212591709	1129738251	/nfs/dbraw/zinc/73/82/51/1129738251.db2.gz	ZTGFEPIFCMEZCY-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc(Cl)c([O-])c1	ZINC001212595430	1129757784	/nfs/dbraw/zinc/75/77/84/1129757784.db2.gz	SZMSGPLJCFHNLV-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
C=CCOc1ccc(-c2cccc(Cl)c2[O-])nc1C#N	ZINC001242365898	1129797712	/nfs/dbraw/zinc/79/77/12/1129797712.db2.gz	VMJLYMBRYCJADA-UHFFFAOYSA-N	-1	0	286.718	3.544	20	30		CHEDRM
C[C@@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000768352558	1129853959	/nfs/dbraw/zinc/85/39/59/1129853959.db2.gz	OQIAPVPFVXIKJI-NEPJUHHUSA-N	-1	0	260.337	3.609	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCC[C@@H]1CCCF	ZINC000800807932	1129889656	/nfs/dbraw/zinc/88/96/56/1129889656.db2.gz	DAEJBVMBCATHSV-LLVKDONJSA-N	-1	0	278.327	3.703	20	30		CHEDRM
C#Cc1cccc(N(CC)C(=O)c2c([O-])cccc2Cl)c1	ZINC000769763532	1129922663	/nfs/dbraw/zinc/92/26/63/1129922663.db2.gz	WXMYZRGIHXBKHI-UHFFFAOYSA-N	-1	0	299.757	3.694	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1c([O-])cccc1F	ZINC000901561039	1129936569	/nfs/dbraw/zinc/93/65/69/1129936569.db2.gz	LWVMIGVHKXNFDU-BQYQJAHWSA-N	-1	0	288.322	3.513	20	30		CHEDRM
CCOc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000771744814	1129988955	/nfs/dbraw/zinc/98/89/55/1129988955.db2.gz	NMVIUKREWVXYIG-BQYQJAHWSA-N	-1	0	274.341	3.749	20	30		CHEDRM
COc1ncccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001239858650	1130137337	/nfs/dbraw/zinc/13/73/37/1130137337.db2.gz	WIWNRLATSGMUKW-UFWORHAWSA-N	-1	0	296.248	3.584	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCC=CO1	ZINC000780149905	1130219144	/nfs/dbraw/zinc/21/91/44/1130219144.db2.gz	POFVEEZIVLHESH-PFJSLNBISA-N	-1	0	286.158	3.811	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cn3cc(C)ccc3n2)c([O-])c1	ZINC000789142229	1130233647	/nfs/dbraw/zinc/23/36/47/1130233647.db2.gz	IUJVBVJEIPCEIF-ALCCZGGFSA-N	-1	0	292.338	3.553	20	30		CHEDRM
Cc1cccc(C)c1/C=C1\Cc2cc(O)ccc2C1=O	ZINC000780186561	1130234324	/nfs/dbraw/zinc/23/43/24/1130234324.db2.gz	KYVMRRWXJGSKSP-GXDHUFHOSA-N	-1	0	264.324	3.831	20	30		CHEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)c1ccccc1	ZINC000746815360	1130252925	/nfs/dbraw/zinc/25/29/25/1130252925.db2.gz	HVBYJULAJLQNDT-NLKYIXICSA-N	-1	0	298.342	3.912	20	30		CHEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)c1ccccc1	ZINC000746815359	1130253491	/nfs/dbraw/zinc/25/34/91/1130253491.db2.gz	HVBYJULAJLQNDT-LDQMOMIISA-N	-1	0	298.342	3.912	20	30		CHEDRM
Cc1cc(C(=O)[O-])cc(-c2cccc(C)c2C#N)c1	ZINC001243182772	1130312715	/nfs/dbraw/zinc/31/27/15/1130312715.db2.gz	QLWKPDFPZUBISP-UHFFFAOYSA-N	-1	0	251.285	3.540	20	30		CHEDRM
O=C(C=Cc1ccnn1-c1ccccc1)c1sccc1[O-]	ZINC000790607825	1130323260	/nfs/dbraw/zinc/32/32/60/1130323260.db2.gz	AGZMHEVMMSVTHP-SREVYHEPSA-N	-1	0	296.351	3.536	20	30		CHEDRM
Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)c(C)c1C#N	ZINC001240550511	1130353925	/nfs/dbraw/zinc/35/39/25/1130353925.db2.gz	DTMFHYSPGNRIRO-VQHVLOKHSA-N	-1	0	277.323	3.940	20	30		CHEDRM
CC(=NNc1ccccc1)c1cc(C(=O)[O-])ccc1C	ZINC000788407977	1130463679	/nfs/dbraw/zinc/46/36/79/1130463679.db2.gz	JEUJMANHUOLWEA-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
O=C(/C=C/c1cccc(F)c1F)c1ccc(F)cc1[O-]	ZINC000757476997	1130485306	/nfs/dbraw/zinc/48/53/06/1130485306.db2.gz	WMMPAWPMDGHZKX-QPJJXVBHSA-N	-1	0	278.229	3.706	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2cc(F)cc(F)c2[O-])n1	ZINC001243501117	1130515542	/nfs/dbraw/zinc/51/55/42/1130515542.db2.gz	YBZPASRJMIHABG-UHFFFAOYSA-N	-1	0	274.270	3.727	20	30		CHEDRM
CC[C@@H](NN=C1CCCC[C@@H](c2ccccc2)C1)C(=O)[O-]	ZINC000793058628	1130517344	/nfs/dbraw/zinc/51/73/44/1130517344.db2.gz	XHLHDYWOAFWDNR-GDBMZVCRSA-N	-1	0	288.391	3.543	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(F)c(CC#N)c1	ZINC001241002357	1130559630	/nfs/dbraw/zinc/55/96/30/1130559630.db2.gz	YFINBYQGVKICQQ-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOC/C=C/Cl	ZINC000811668336	1130631752	/nfs/dbraw/zinc/63/17/52/1130631752.db2.gz	DTXXOFCJUIJIQR-XOWKLHRESA-N	-1	0	280.538	3.802	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2cccc(Cl)c2F)c1	ZINC000759647391	1130666680	/nfs/dbraw/zinc/66/66/80/1130666680.db2.gz	YNUMYTAVLVIBTR-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1cccc([N+](=O)[O-])c1	ZINC001234819721	1130678649	/nfs/dbraw/zinc/67/86/49/1130678649.db2.gz	OFABJOGDVDFYDC-LLVKDONJSA-N	-1	0	286.287	3.543	20	30		CHEDRM
CC[C@H](C#Cc1ccccc1)Oc1ccccc1C=N[O-]	ZINC001234819133	1130679001	/nfs/dbraw/zinc/67/90/01/1130679001.db2.gz	IANAMDXHZCYJPM-QGZVFWFLSA-N	-1	0	279.339	3.704	20	30		CHEDRM
C=C[C@@]1(C)CC[C@H](Oc2nc3sccc3[nH]2)C(C)(C)O1	ZINC001234848184	1130681733	/nfs/dbraw/zinc/68/17/33/1130681733.db2.gz	MUPPKWRSHAOPCU-NHYWBVRUSA-N	-1	0	292.404	3.906	20	30		CHEDRM
C#CCCCCCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000812707337	1130708078	/nfs/dbraw/zinc/70/80/78/1130708078.db2.gz	DDBYFDPVGWUNDI-UHFFFAOYSA-N	-1	0	287.359	3.507	20	30		CHEDRM
C=C(C)c1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1	ZINC001235169490	1130717928	/nfs/dbraw/zinc/71/79/28/1130717928.db2.gz	NGBHOIUOILSKEN-BJMVGYQFSA-N	-1	0	265.312	3.880	20	30		CHEDRM
CO[C@H](c1ccccc1)C(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000782096223	1130754616	/nfs/dbraw/zinc/75/46/16/1130754616.db2.gz	IIEACRYDUAWNCA-INIZCTEOSA-N	-1	0	298.342	3.560	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000782199464	1130762420	/nfs/dbraw/zinc/76/24/20/1130762420.db2.gz	DTOBIMAUMMNLGH-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000782352955	1130774629	/nfs/dbraw/zinc/77/46/29/1130774629.db2.gz	XUZPIDALZFXBIG-DJWKRKHSSA-N	-1	0	291.709	3.784	20	30		CHEDRM
O=C(C=Cc1scnc1C1CC1)c1sccc1[O-]	ZINC000782352831	1130774772	/nfs/dbraw/zinc/77/47/72/1130774772.db2.gz	VTPONJDJOPCNMW-ARJAWSKDSA-N	-1	0	277.370	3.684	20	30		CHEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(C)c2Cl)n1	ZINC001236111438	1130867714	/nfs/dbraw/zinc/86/77/14/1130867714.db2.gz	GJHYWCBTKWQWTB-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
CC(C)(C)[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)CS1	ZINC000814687711	1130899286	/nfs/dbraw/zinc/89/92/86/1130899286.db2.gz	RZTQACBRSNBTRK-CYBMUJFWSA-N	-1	0	292.404	3.704	20	30		CHEDRM
Cc1cccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000814687783	1130900806	/nfs/dbraw/zinc/90/08/06/1130900806.db2.gz	UERGAXXPTAOGHO-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
CCCCCC[C@@H](C)NN=C(C)CC1(C(=O)[O-])CCC1	ZINC000814858522	1130923813	/nfs/dbraw/zinc/92/38/13/1130923813.db2.gz	AJFBYKWAKXZSLM-CYBMUJFWSA-N	-1	0	282.428	3.956	20	30		CHEDRM
CCCCCC[C@@H](C)NN=C1CCC(C(=O)[O-])CC1	ZINC000814859143	1130924942	/nfs/dbraw/zinc/92/49/42/1130924942.db2.gz	NSJBIUADMTZYIV-PZORYLMUSA-N	-1	0	268.401	3.566	20	30		CHEDRM
Cc1ccc(F)c(-c2nc3ccccc3cc2C#N)c1[O-]	ZINC001236390354	1130925506	/nfs/dbraw/zinc/92/55/06/1130925506.db2.gz	GCCWDSBADZNUQD-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
CC(N=Nc1cc(Cl)ccn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814898411	1130931244	/nfs/dbraw/zinc/93/12/44/1130931244.db2.gz	PAYMFEDGVGGDCX-SNVBAGLBSA-N	-1	0	297.786	3.804	20	30		CHEDRM
C[C@H]1C(=NNCCC(C)(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814901311	1130932051	/nfs/dbraw/zinc/93/20/51/1130932051.db2.gz	IAJOHZNRVQEUJJ-NWDGAFQWSA-N	-1	0	282.428	3.525	20	30		CHEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1c(F)cccc1Cl	ZINC000814904874	1130933991	/nfs/dbraw/zinc/93/39/91/1130933991.db2.gz	CIMBNZVHFXGPSW-IUCAKERBSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CC(=NNCC1(C)CCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814937519	1130939656	/nfs/dbraw/zinc/93/96/56/1130939656.db2.gz	JJTHAMCFLALPCB-KGLIPLIRSA-N	-1	0	294.439	3.669	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1cnc2ccccc2n1	ZINC000816045865	1131044274	/nfs/dbraw/zinc/04/42/74/1131044274.db2.gz	ZJHSQXAIPQLUQM-GFCCVEGCSA-N	-1	0	295.317	3.604	20	30		CHEDRM
CCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1CC	ZINC001137933035	1131438516	/nfs/dbraw/zinc/43/85/16/1131438516.db2.gz	RRKQGEAQZLKWPH-UHFFFAOYSA-N	-1	0	294.354	3.641	20	30		CHEDRM
Cc1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC001202827118	1131503573	/nfs/dbraw/zinc/50/35/73/1131503573.db2.gz	RFEBZANFTJLRTG-UHFFFAOYSA-N	-1	0	281.315	3.525	20	30		CHEDRM
CC(C)[C@H](C#N)Oc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000844203391	1131538366	/nfs/dbraw/zinc/53/83/66/1131538366.db2.gz	AJLQXNDPTLLRMN-KRWDZBQOSA-N	-1	0	295.338	3.979	20	30		CHEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)C1CCC1	ZINC000844622928	1131586491	/nfs/dbraw/zinc/58/64/91/1131586491.db2.gz	IUPCYSGZAUTWRH-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	ZINC000846551348	1131712913	/nfs/dbraw/zinc/71/29/13/1131712913.db2.gz	UKBFVOVHXNYHTG-KGLIPLIRSA-N	-1	0	291.391	3.508	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1cccc2ccccc21	ZINC000846555589	1131713163	/nfs/dbraw/zinc/71/31/63/1131713163.db2.gz	WVJTXUBMAXKGAM-CYBMUJFWSA-N	-1	0	283.371	3.740	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC3(CC3)CC2)cc1F	ZINC000835008923	1131753552	/nfs/dbraw/zinc/75/35/52/1131753552.db2.gz	LFBYRUBXLJEADZ-UHFFFAOYSA-N	-1	0	276.311	3.646	20	30		CHEDRM
CCCC(CC)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011338	1131755409	/nfs/dbraw/zinc/75/54/09/1131755409.db2.gz	DUFSNBNFMMUEMN-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010307	1131755520	/nfs/dbraw/zinc/75/55/20/1131755520.db2.gz	WWPXJZNESLXNOM-MNOVXSKESA-N	-1	0	278.327	3.748	20	30		CHEDRM
C#C[C@@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140831999	1131942416	/nfs/dbraw/zinc/94/24/16/1131942416.db2.gz	BUQQVIMSXSLNNT-SNVBAGLBSA-N	-1	0	284.186	3.544	20	30		CHEDRM
O=C(C=Cc1cc(F)cc(F)c1)c1sccc1[O-]	ZINC000773151155	1131964123	/nfs/dbraw/zinc/96/41/23/1131964123.db2.gz	UWHYNBKSRUDPEB-OWOJBTEDSA-N	-1	0	266.268	3.628	20	30		CHEDRM
O=C(C=Cc1cc(F)cc(F)c1)c1sccc1[O-]	ZINC000773151156	1131964806	/nfs/dbraw/zinc/96/48/06/1131964806.db2.gz	UWHYNBKSRUDPEB-UPHRSURJSA-N	-1	0	266.268	3.628	20	30		CHEDRM
CN(C)c1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000773151073	1131965774	/nfs/dbraw/zinc/96/57/74/1131965774.db2.gz	TXVFIOHBQNLRQC-GQCTYLIASA-N	-1	0	291.347	3.555	20	30		CHEDRM
CCC[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228899905	1131975072	/nfs/dbraw/zinc/97/50/72/1131975072.db2.gz	AQMBEQPFKXVSPJ-AWEZNQCLSA-N	-1	0	268.316	3.579	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@@H](C)c1cccnc1F	ZINC001229737557	1132111877	/nfs/dbraw/zinc/11/18/77/1132111877.db2.gz	AYPDCUBFODSVGD-HPAYWCODSA-N	-1	0	274.295	3.559	20	30		CHEDRM
CC1(C)COC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840708593	1132273565	/nfs/dbraw/zinc/27/35/65/1132273565.db2.gz	HEZYAMLRYRYPNM-XQHYMVDSSA-N	-1	0	288.174	3.543	20	30		CHEDRM
CCCCN(CCC#N)Cc1ccc(Cl)cc1C(=O)[O-]	ZINC001142656389	1132418304	/nfs/dbraw/zinc/41/83/04/1132418304.db2.gz	GBNPDDYHNYJIHR-UHFFFAOYSA-N	-1	0	294.782	3.554	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc(C2CC2)cs1	ZINC000842939809	1132479313	/nfs/dbraw/zinc/47/93/13/1132479313.db2.gz	XXHVIYZQEPQKQV-FYJFLYSWSA-N	-1	0	284.340	3.503	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c1	ZINC001152999627	1132588798	/nfs/dbraw/zinc/58/87/98/1132588798.db2.gz	BMEJEDJFPWEFOI-SHTZXODSSA-N	-1	0	298.386	3.809	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1n[n-]c(=O)cc1Cl	ZINC001233589129	1132643897	/nfs/dbraw/zinc/64/38/97/1132643897.db2.gz	IRJQQCOYABADNQ-JFGNBEQYSA-N	-1	0	282.771	3.595	20	30		CHEDRM
C[C@H](Oc1c(Br)cccc1C#N)C1=CC=C[CH]1	ZINC001233694371	1132665078	/nfs/dbraw/zinc/66/50/78/1132665078.db2.gz	HOYXUOSDFHFJCK-JTQLQIEISA-N	-1	0	289.152	3.789	20	30		CHEDRM
C=C(C)C[C@@H](Oc1cc([O-])cc2occc(=O)c12)C(=C)C	ZINC001233835166	1132688026	/nfs/dbraw/zinc/68/80/26/1132688026.db2.gz	VNGDGAXISQODPY-CQSZACIVSA-N	-1	0	286.327	3.788	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2ncsc2c1	ZINC001174365320	1132822213	/nfs/dbraw/zinc/82/22/13/1132822213.db2.gz	WRKXJXBIFAASPL-UHFFFAOYSA-N	-1	0	273.342	3.679	20	30		CHEDRM
N#Cc1cc(Nc2ccc3ncsc3c2)c([O-])cc1F	ZINC001174366763	1132824123	/nfs/dbraw/zinc/82/41/23/1132824123.db2.gz	ZRDUBJCAVKYWLO-UHFFFAOYSA-N	-1	0	285.303	3.756	20	30		CHEDRM
COc1cc(Nc2c(C)ccc(C)c2C#N)ccc1C(=O)[O-]	ZINC001174688034	1132947575	/nfs/dbraw/zinc/94/75/75/1132947575.db2.gz	LWUBVVBOGFGMOS-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])cc2F)ccc1Cl	ZINC001203291941	1133310698	/nfs/dbraw/zinc/31/06/98/1133310698.db2.gz	BYEIIZHJQCIAJP-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cn1cc(Nc2scc([O-])c2C#N)c2ccccc21	ZINC001203419613	1133324677	/nfs/dbraw/zinc/32/46/77/1133324677.db2.gz	PXVSGVILHBFPOD-UHFFFAOYSA-N	-1	0	269.329	3.561	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)cc3[nH]ccc32)c([O-])cc1F	ZINC001203736262	1133362093	/nfs/dbraw/zinc/36/20/93/1133362093.db2.gz	RUVLSDWDXOGCIG-UHFFFAOYSA-N	-1	0	285.253	3.767	20	30		CHEDRM
N#Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)c2cc[nH]c21	ZINC001205100892	1133530261	/nfs/dbraw/zinc/53/02/61/1133530261.db2.gz	XARJSUOFULZYPL-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205108632	1133531246	/nfs/dbraw/zinc/53/12/46/1133531246.db2.gz	WPNXCXVGGNGOII-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
C=C(C)c1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)nc1	ZINC001206017915	1133642284	/nfs/dbraw/zinc/64/22/84/1133642284.db2.gz	UJFUDBYWBVDBNL-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
N#Cc1cc2cc(-c3cc(F)c(F)c(C(=O)[O-])c3)ccc2[nH]1	ZINC001206038475	1133646529	/nfs/dbraw/zinc/64/65/29/1133646529.db2.gz	AZWDZXXMRFCIHL-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#Cc1cnc(-c2csc(C(=O)[O-])c2)c2ccccc12	ZINC001206243358	1133675029	/nfs/dbraw/zinc/67/50/29/1133675029.db2.gz	GRYAHDPRIGXNJM-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc(C#N)c1F	ZINC001210008315	1134121762	/nfs/dbraw/zinc/12/17/62/1134121762.db2.gz	OXRDVSWFWKANQT-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1cccc(CC(=O)[O-])c1	ZINC001210071673	1134140560	/nfs/dbraw/zinc/14/05/60/1134140560.db2.gz	MSCUXRYAYIXFNE-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2cccc(CC(=O)[O-])c2)cc1	ZINC001210071648	1134140913	/nfs/dbraw/zinc/14/09/13/1134140913.db2.gz	MAVJHDWYKITUJR-GFCCVEGCSA-N	-1	0	280.327	3.684	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc2cc[nH]c21	ZINC001210210566	1134166879	/nfs/dbraw/zinc/16/68/79/1134166879.db2.gz	ZTJCLNRGEAOMST-UHFFFAOYSA-N	-1	0	255.302	3.550	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1c([O-])cc(F)cc1F	ZINC001210500902	1134231492	/nfs/dbraw/zinc/23/14/92/1134231492.db2.gz	FNUPLQIRBFMBNN-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
Cc1ccc(Nc2cc([O-])c(F)c(F)c2)c(C#N)c1	ZINC001210569705	1134252099	/nfs/dbraw/zinc/25/20/99/1134252099.db2.gz	ULMWGNMNXOTUSR-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
C[C@@H]1CC(=O)C=C(Nc2ccc3[n-]c(=S)sc3c2)C1	ZINC001210772350	1134292129	/nfs/dbraw/zinc/29/21/29/1134292129.db2.gz	BGHSOMLVSQAMSO-QMMMGPOBSA-N	-1	0	290.413	3.880	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1cccc([O-])c1Cl	ZINC001210854263	1134311765	/nfs/dbraw/zinc/31/17/65/1134311765.db2.gz	LDIOVPSZXIUIAH-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1OC	ZINC001211036881	1134353941	/nfs/dbraw/zinc/35/39/41/1134353941.db2.gz	NEHOMFMOXWITOM-UHFFFAOYSA-N	-1	0	296.326	3.571	20	30		CHEDRM
N#Cc1ccc2c(c1)nccc2-c1cc(F)c([O-])cc1F	ZINC001211338392	1134410071	/nfs/dbraw/zinc/41/00/71/1134410071.db2.gz	DGSPLYBLITUCEB-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
N#Cc1ccc2cc(-c3cc(F)c([O-])cc3F)ccc2n1	ZINC001211359814	1134412907	/nfs/dbraw/zinc/41/29/07/1134412907.db2.gz	NGQOHAOIFKXPOF-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213629561	1134471073	/nfs/dbraw/zinc/47/10/73/1134471073.db2.gz	FVVOJIXBWOQNHF-UHFFFAOYSA-N	-1	0	294.354	3.936	20	30		CHEDRM
Cc1cccc(Nc2ccc(CCC(=O)[O-])cc2)c1C#N	ZINC001213629801	1134471076	/nfs/dbraw/zinc/47/10/76/1134471076.db2.gz	QZSFATLJRDUEKK-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(CCC(=O)[O-])cc2)cc1C#N	ZINC001213635250	1134471989	/nfs/dbraw/zinc/47/19/89/1134471989.db2.gz	ASBNLMDIXQIOHD-UHFFFAOYSA-N	-1	0	294.354	3.936	20	30		CHEDRM
COc1cccc(Nc2scc([O-])c2C#N)c1C1CC1	ZINC001213800629	1134485499	/nfs/dbraw/zinc/48/54/99/1134485499.db2.gz	DQACKXHIDVCGAS-UHFFFAOYSA-N	-1	0	286.356	3.955	20	30		CHEDRM
COc1c(C)ccc(F)c1Nc1scc([O-])c1C#N	ZINC001214530144	1134547318	/nfs/dbraw/zinc/54/73/18/1134547318.db2.gz	RFPBLRPKENVNLN-UHFFFAOYSA-N	-1	0	278.308	3.525	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)c([O-])c2F)ccc1F	ZINC001214799336	1134575046	/nfs/dbraw/zinc/57/50/46/1134575046.db2.gz	RYKTXZXEAFREPU-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CC(C)(C)n1cc(C#N)cc1Nc1ccsc1C(=O)[O-]	ZINC001215383795	1134621749	/nfs/dbraw/zinc/62/17/49/1134621749.db2.gz	PJJRAIQTTCKZOL-UHFFFAOYSA-N	-1	0	289.360	3.618	20	30		CHEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])cc1Cl	ZINC001215391759	1134622689	/nfs/dbraw/zinc/62/26/89/1134622689.db2.gz	KOKARKLHUHWSBB-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CSc1ccc(F)cc1Nc1scc([O-])c1C#N	ZINC001215448262	1134628657	/nfs/dbraw/zinc/62/86/57/1134628657.db2.gz	ARZHWFDTQKJDJC-UHFFFAOYSA-N	-1	0	280.349	3.930	20	30		CHEDRM
Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1C#N	ZINC001215466254	1134629841	/nfs/dbraw/zinc/62/98/41/1134629841.db2.gz	PRZQSACRBIQZOV-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1c(Nc2sc3c(c2C#N)CCC3)cccc1C(=O)[O-]	ZINC001216656929	1134940457	/nfs/dbraw/zinc/94/04/57/1134940457.db2.gz	LPIDZQUUPVYYIZ-UHFFFAOYSA-N	-1	0	298.367	3.859	20	30		CHEDRM
Cc1c(Nc2cc(Cl)cc(C#N)c2)cccc1C(=O)[O-]	ZINC001216662056	1134942352	/nfs/dbraw/zinc/94/23/52/1134942352.db2.gz	XCWXDOIHXKWJHR-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2C)cc1F	ZINC001216663185	1134942534	/nfs/dbraw/zinc/94/25/34/1134942534.db2.gz	OPDZFDFXLOUMDG-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
C=CCOc1ccccc1CO[C@H](C)C1=CC=C[CH]1	ZINC001223787358	1135384025	/nfs/dbraw/zinc/38/40/25/1135384025.db2.gz	VGNGEGXSJGJWSH-CQSZACIVSA-N	-1	0	255.337	3.857	20	30		CHEDRM
CCCCC[C@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223890926	1135394656	/nfs/dbraw/zinc/39/46/56/1135394656.db2.gz	AEOXNAAQKNKKTJ-ICDILTBESA-N	-1	0	295.379	3.825	20	30		CHEDRM
N#C[C@H](Oc1cccc([S-])c1)c1ccccc1F	ZINC001226014480	1135652747	/nfs/dbraw/zinc/65/27/47/1135652747.db2.gz	UUBHAKRLNNVUJC-AWEZNQCLSA-N	-1	0	259.305	3.758	20	30		CHEDRM
C=CC[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226220982	1135673946	/nfs/dbraw/zinc/67/39/46/1135673946.db2.gz	DSHVWTGLVLMCEN-OAHLLOKOSA-N	-1	0	280.327	3.664	20	30		CHEDRM
C=CC[C@@H](Oc1nccc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001226327170	1135685039	/nfs/dbraw/zinc/68/50/39/1135685039.db2.gz	RVACSJIOTUOARG-GFCCVEGCSA-N	-1	0	276.723	3.532	20	30		CHEDRM
C=CCC(CC=C)Oc1cc2c(C)cc(=O)oc2cc1O	ZINC001226536771	1135710246	/nfs/dbraw/zinc/71/02/46/1135710246.db2.gz	ZPLATONXLUYJAO-UHFFFAOYSA-N	-1	0	286.327	3.707	20	30		CHEDRM
C=CC[C@H](CCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227602672	1135848821	/nfs/dbraw/zinc/84/88/21/1135848821.db2.gz	YHFMXUYTEOLSFV-SSDOTTSWSA-N	-1	0	277.151	3.613	20	30		CHEDRM
C[C@@H]1C[C@@H](C([O-])=Nc2nc3ccsc3s2)CCC1=O	ZINC000329002844	227253731	/nfs/dbraw/zinc/25/37/31/227253731.db2.gz	WMELAFQTBMNUTJ-SFYZADRCSA-N	-1	0	294.401	3.951	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc(F)cc(Cl)c2)n1	ZINC000336042550	228181872	/nfs/dbraw/zinc/18/18/72/228181872.db2.gz	IQWYKWLDCXKDMB-NSHDSACASA-N	-1	0	294.738	3.734	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000287115464	263101036	/nfs/dbraw/zinc/10/10/36/263101036.db2.gz	YIGMUKIROXIUTK-ZDUSSCGKSA-N	-1	0	271.719	3.726	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000342465367	263437078	/nfs/dbraw/zinc/43/70/78/263437078.db2.gz	VCOFOUJPRJNCIC-LLVKDONJSA-N	-1	0	280.283	3.528	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)o1	ZINC000338186733	327970381	/nfs/dbraw/zinc/97/03/81/327970381.db2.gz	AORZCOZYMXGHDL-LBPRGKRZSA-N	-1	0	296.351	3.996	20	30		CHEDRM
N#CCc1c[nH]c2ccc(-c3cccc(C(=O)[O-])c3)cc12	ZINC000584116423	327042159	/nfs/dbraw/zinc/04/21/59/327042159.db2.gz	XDDHNPYNMGXUFA-UHFFFAOYSA-N	-1	0	276.295	3.599	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(Cl)cc2O)CCC1	ZINC000189797182	329387122	/nfs/dbraw/zinc/38/71/22/329387122.db2.gz	PQJUIRXLZMUFJX-UHFFFAOYSA-N	-1	0	265.740	3.731	20	30		CHEDRM
CCc1cc(C([O-])=C(C#N)c2nc(C)cs2)sc1C	ZINC000041520923	329565699	/nfs/dbraw/zinc/56/56/99/329565699.db2.gz	HVLPJMRLZFZITB-NSHDSACASA-N	-1	0	290.413	3.874	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)o1	ZINC000073977302	329862946	/nfs/dbraw/zinc/86/29/46/329862946.db2.gz	FRYJJIJKGQXZKA-GFCCVEGCSA-N	-1	0	280.283	3.528	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000424759295	330470802	/nfs/dbraw/zinc/47/08/02/330470802.db2.gz	VVRBJCIBZNOYFW-UHFFFAOYSA-N	-1	0	253.729	3.586	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000436994792	330690571	/nfs/dbraw/zinc/69/05/71/330690571.db2.gz	FYTAQEXUTCXHOE-VIFPVBQESA-N	-1	0	285.746	3.659	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1	ZINC000439899134	330744514	/nfs/dbraw/zinc/74/45/14/330744514.db2.gz	VEIBBOXMHUCBFO-LLVKDONJSA-N	-1	0	275.348	3.542	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2csc(Cl)c2)n1	ZINC000191371848	333218835	/nfs/dbraw/zinc/21/88/35/333218835.db2.gz	DGPHJZKRDKGABH-QMMMGPOBSA-N	-1	0	282.777	3.657	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cnc3ccsc3c2)n1	ZINC000524760506	333387406	/nfs/dbraw/zinc/38/74/06/333387406.db2.gz	LENBWZWJORAIBU-JTQLQIEISA-N	-1	0	299.380	3.551	20	30		CHEDRM
C=CCOc1ccccc1/C=C\c1cc(C(=O)[O-])ccn1	ZINC000550976105	334235264	/nfs/dbraw/zinc/23/52/64/334235264.db2.gz	UINNCUOIZAXHSP-FPLPWBNLSA-N	-1	0	281.311	3.515	20	30		CHEDRM
N#CC[C@@H]1CC[C@H](N=c2nc(C3CCCCC3)[n-]s2)C1	ZINC000333890856	534711513	/nfs/dbraw/zinc/71/15/13/534711513.db2.gz	XBDPMBPTAOYBAZ-AAEUAGOBSA-N	-1	0	290.436	3.502	20	30		CHEDRM
O=C([O-])c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1	ZINC000089629969	567939926	/nfs/dbraw/zinc/93/99/26/567939926.db2.gz	NIVQJMYIRBMXQV-UHFFFAOYSA-N	-1	0	290.134	3.674	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000730436735	600139226	/nfs/dbraw/zinc/13/92/26/600139226.db2.gz	LRQJNUYRUXUWDM-YVMONPNESA-N	-1	0	280.323	3.898	20	30		CHEDRM
CCCCCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000736983562	600591574	/nfs/dbraw/zinc/59/15/74/600591574.db2.gz	NWDURPBFKRCXPQ-INIZCTEOSA-N	-1	0	291.391	3.631	20	30		CHEDRM
Cc1ccccc1S[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738785300	600937443	/nfs/dbraw/zinc/93/74/43/600937443.db2.gz	NWGSSYBFGNLKGN-OAHLLOKOSA-N	-1	0	283.352	3.785	20	30		CHEDRM
C=CCCCC(=O)Oc1cc2ccccc2cc1C(=O)[O-]	ZINC000825671134	601126499	/nfs/dbraw/zinc/12/64/99/601126499.db2.gz	DNXCHQIPLJHZBS-UHFFFAOYSA-N	-1	0	284.311	3.800	20	30		CHEDRM
CC(C)c1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000827124468	601297364	/nfs/dbraw/zinc/29/73/64/601297364.db2.gz	MQQUZOCACDFTRZ-KRWDZBQOSA-N	-1	0	294.354	3.919	20	30		CHEDRM
N#Cc1cccc(SCc2ccc(F)cc2C(=O)[O-])c1	ZINC000833075071	601319874	/nfs/dbraw/zinc/31/98/74/601319874.db2.gz	KTXVLJZOULVUBE-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
N#Cc1ccc(SCc2ccsc2C(=O)[O-])c(F)c1	ZINC000833074025	601896096	/nfs/dbraw/zinc/89/60/96/601896096.db2.gz	MOZLYUILSAOJSQ-UHFFFAOYSA-N	-1	0	293.344	3.749	20	30		CHEDRM
CN(Cc1ccc(NCCCC(C)(C)C#N)cc1)C(=O)[O-]	ZINC000830836551	601908827	/nfs/dbraw/zinc/90/88/27/601908827.db2.gz	YQIGZAKIYVEYJH-UHFFFAOYSA-N	-1	0	289.379	3.538	20	30		CHEDRM
C[C@@H](NC(=O)[O-])c1ccc(NCC(C)(C)CCC#N)cc1	ZINC000825448992	603178678	/nfs/dbraw/zinc/17/86/78/603178678.db2.gz	JCGQYJUZACRMKV-GFCCVEGCSA-N	-1	0	289.379	3.757	20	30		CHEDRM
C=CCCCC(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC000833373467	604572959	/nfs/dbraw/zinc/57/29/59/604572959.db2.gz	QCMFOJFHUAZLQT-UHFFFAOYSA-N	-1	0	293.388	3.548	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1	ZINC000833309575	604630869	/nfs/dbraw/zinc/63/08/69/604630869.db2.gz	CCROOOUPDLNAKM-SOFGYWHQSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(N=Nc1ccc(C#N)cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814803166	604637991	/nfs/dbraw/zinc/63/79/91/604637991.db2.gz	MIUDQXKOYWDLDE-LBPRGKRZSA-N	-1	0	287.363	3.627	20	30		CHEDRM
CC(C)(C#N)c1ccccc1COc1cccc(C(=O)[O-])c1	ZINC000826081030	604649398	/nfs/dbraw/zinc/64/93/98/604649398.db2.gz	KJRMFOIDKUHHLF-UHFFFAOYSA-N	-1	0	295.338	3.765	20	30		CHEDRM
CC(=NNc1ccc(F)cc1C)c1ccc(C(=O)[O-])cc1	ZINC000750939129	605012951	/nfs/dbraw/zinc/01/29/51/605012951.db2.gz	VHSSNOPMNGNEAZ-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
C=CCCCNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833374349	605038717	/nfs/dbraw/zinc/03/87/17/605038717.db2.gz	YNEOZBRENSWDHX-UHFFFAOYSA-N	-1	0	284.153	3.525	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC=CCc1ccc(F)cc1	ZINC000747755825	605097746	/nfs/dbraw/zinc/09/77/46/605097746.db2.gz	WQIMCPQYCNWGRW-ZRSOARAGSA-N	-1	0	284.290	3.635	20	30		CHEDRM
C[C@H]1CCC[C@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000768353920	605098945	/nfs/dbraw/zinc/09/89/45/605098945.db2.gz	CEVBGWJMHCYNBF-RYUDHWBXSA-N	-1	0	260.337	3.609	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1coc2ccccc12	ZINC000746563528	605100276	/nfs/dbraw/zinc/10/02/76/605100276.db2.gz	FGUJOLRPHLRAQU-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
CC(C)(C)C[C@H](Sc1ccc(C#N)cc1)C(=O)[O-]	ZINC000833429084	605152888	/nfs/dbraw/zinc/15/28/88/605152888.db2.gz	GZFBISGUUIUBJD-LBPRGKRZSA-N	-1	0	263.362	3.540	20	30		CHEDRM
CC(C)(C)C[C@@H](Sc1ccccc1C#N)C(=O)[O-]	ZINC000833428877	605154273	/nfs/dbraw/zinc/15/42/73/605154273.db2.gz	BBJBSUUHQDEYDF-GFCCVEGCSA-N	-1	0	263.362	3.540	20	30		CHEDRM
CC(C)(C)C[C@H](Sc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000833430440	605155252	/nfs/dbraw/zinc/15/52/52/605155252.db2.gz	WPNTZOBDRWCIFE-LBPRGKRZSA-N	-1	0	281.352	3.679	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833369666	605274416	/nfs/dbraw/zinc/27/44/16/605274416.db2.gz	COXKDOOJCJVCQY-UHFFFAOYSA-N	-1	0	292.310	3.623	20	30		CHEDRM
CCc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C	ZINC000833671539	605290307	/nfs/dbraw/zinc/29/03/07/605290307.db2.gz	KNZWQHGWHGLLEC-QGZVFWFLSA-N	-1	0	294.354	3.667	20	30		CHEDRM
C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1cccc(C#N)c1	ZINC000833526330	605302256	/nfs/dbraw/zinc/30/22/56/605302256.db2.gz	TYMVOFXCGHLMNP-SNVBAGLBSA-N	-1	0	299.305	3.960	20	30		CHEDRM
C=CCCC(N=Nc1cccc(C(=O)[O-])c1)C1CC1	ZINC000747736596	605592388	/nfs/dbraw/zinc/59/23/88/605592388.db2.gz	RJOIDMXPULWXKR-UHFFFAOYSA-N	-1	0	258.321	3.529	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000112787317	949229819	/nfs/dbraw/zinc/22/98/19/949229819.db2.gz	ZYDALLQKIUKUPC-MRXNPFEDSA-N	-1	0	283.412	3.593	20	30		CHEDRM
CCCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000139577265	949343951	/nfs/dbraw/zinc/34/39/51/949343951.db2.gz	WYOFGNUIJOOGQU-CQSZACIVSA-N	-1	0	283.412	3.593	20	30		CHEDRM
CCCCCCC[C@@H](C)CNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001589645134	949720861	/nfs/dbraw/zinc/72/08/61/949720861.db2.gz	QIDYGZNKGSCVRN-CQSZACIVSA-N	-1	0	295.423	3.520	20	30		CHEDRM
N#Cc1ccc(NCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000062790355	957610947	/nfs/dbraw/zinc/61/09/47/957610947.db2.gz	NNPLCRCGMBJJNO-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
C#Cc1ccc(NCc2ccc(C(=O)[O-])s2)c(Cl)c1	ZINC001588438924	958307502	/nfs/dbraw/zinc/30/75/02/958307502.db2.gz	JYFFUCOUDGGDRM-UHFFFAOYSA-N	-1	0	291.759	3.693	20	30		CHEDRM
CCCCCCCCC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000109687794	958379934	/nfs/dbraw/zinc/37/99/34/958379934.db2.gz	AJNOSOAILNIZPX-MRXNPFEDSA-N	-1	0	297.439	3.887	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc(F)c2F)cc1	ZINC000182725458	959446264	/nfs/dbraw/zinc/44/62/64/959446264.db2.gz	VMGBBDIZTKTNSD-RMKNXTFCSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1cccc(C(=O)[O-])c1	ZINC000729633248	1125473152	/nfs/dbraw/zinc/47/31/52/1125473152.db2.gz	MFQABFVNRXWZHW-UHFFFAOYSA-N	-1	0	280.393	3.704	20	30		CHEDRM
Cc1cccc2c1CC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000729641023	1125482081	/nfs/dbraw/zinc/48/20/81/1125482081.db2.gz	ANXYUHIDUDIMLY-LTKMBJGESA-N	-1	0	296.326	3.715	20	30		CHEDRM
C#CCCCCCCN1CCCc2c(C(=O)[O-])cccc21	ZINC001573302568	962655219	/nfs/dbraw/zinc/65/52/19/962655219.db2.gz	XVRGPXFIZVXKBH-UHFFFAOYSA-N	-1	0	285.387	3.721	20	30		CHEDRM
C=CC(C)(C)CCCNc1nc(Cl)c(C(=O)[O-])s1	ZINC001573346547	962941177	/nfs/dbraw/zinc/94/11/77/962941177.db2.gz	BRJWJMZTJXSKAL-UHFFFAOYSA-N	-1	0	288.800	3.899	20	30		CHEDRM
C=CCCCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001573357740	963020103	/nfs/dbraw/zinc/02/01/03/963020103.db2.gz	RQWQVILYEGTNKB-HNNXBMFYSA-N	-1	0	288.343	3.662	20	30		CHEDRM
CCCCCCC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763368972	978721572	/nfs/dbraw/zinc/72/15/72/978721572.db2.gz	RKYYLBRJUGZNAZ-UHFFFAOYSA-N	-1	0	263.341	3.538	20	30		CHEDRM
CCOc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000774126276	978746502	/nfs/dbraw/zinc/74/65/02/978746502.db2.gz	IGENYMNRAWCFLR-MDZDMXLPSA-N	-1	0	296.322	3.680	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc3ccccc3n2)CC[C@@H]1CC(=O)[O-]	ZINC000814697717	978873613	/nfs/dbraw/zinc/87/36/13/978873613.db2.gz	ZLVGIHXYYNASBN-DGCLKSJQSA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1cc(C)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814753591	978880318	/nfs/dbraw/zinc/88/03/18/978880318.db2.gz	QVBCXXXIVFYZNB-OLZOCXBDSA-N	-1	0	274.364	3.592	20	30		CHEDRM
Cc1ccc(C)c(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814753772	978880613	/nfs/dbraw/zinc/88/06/13/978880613.db2.gz	ZJOCSAPYMZYTTO-CHWSQXEVSA-N	-1	0	274.364	3.592	20	30		CHEDRM
CC(=NOCc1ccccc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814791661	978885663	/nfs/dbraw/zinc/88/56/63/978885663.db2.gz	IMWUAKTXYUKPBV-CYBMUJFWSA-N	-1	0	277.364	3.860	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(Cl)c(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814862757	978894534	/nfs/dbraw/zinc/89/45/34/978894534.db2.gz	QQKBXTZDWKMHOZ-DTWKUNHWSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@@H]1C(N=Nc2c(F)cccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814905566	978898108	/nfs/dbraw/zinc/89/81/08/978898108.db2.gz	ZDWNYDUMAQLPQP-IUCAKERBSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@@H]1CC(C)(C)CC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413992	979467088	/nfs/dbraw/zinc/46/70/88/979467088.db2.gz	HBGIIOPVJYQFDE-LLVKDONJSA-N	-1	0	274.364	3.538	20	30		CHEDRM
CC(C)[C@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848416064	979468464	/nfs/dbraw/zinc/46/84/64/979468464.db2.gz	XOTOVWZXWVZRNE-CQSZACIVSA-N	-1	0	274.364	3.538	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(F)c2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000863158405	979659686	/nfs/dbraw/zinc/65/96/86/979659686.db2.gz	AAPVYADBNXDMCN-RKDXNWHRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@H](Cc1ccc(NCC(C)(C)CCC#N)cc1)C(=O)[O-]	ZINC001592877083	979743255	/nfs/dbraw/zinc/74/32/55/979743255.db2.gz	IVMZNWCCWGSKSJ-CYBMUJFWSA-N	-1	0	288.391	3.692	20	30		CHEDRM
CCCC[C@H](S[C@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001595651244	982019586	/nfs/dbraw/zinc/01/95/86/982019586.db2.gz	DLWKOGDQFOPPHU-RISCZKNCSA-N	-1	0	277.389	3.996	20	30		CHEDRM
CCCC[C@@H](S[C@@H](C#N)C1CCCCC1)C(=O)[O-]	ZINC001595652650	982036139	/nfs/dbraw/zinc/03/61/39/982036139.db2.gz	WBUUHKURDPKYPU-OLZOCXBDSA-N	-1	0	269.410	3.835	20	30		CHEDRM
CCCCCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC001595704309	982273443	/nfs/dbraw/zinc/27/34/43/982273443.db2.gz	DRLYYKNHTJXCNR-UHFFFAOYSA-N	-1	0	294.351	3.604	20	30		CHEDRM
CCCCCCCCC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC001595705257	982283431	/nfs/dbraw/zinc/28/34/31/982283431.db2.gz	SXAPEQTVJPSNNL-CZIWCDLHSA-N	-1	0	297.439	3.887	20	30		CHEDRM
C#Cc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c(Cl)c1	ZINC001588517899	983567017	/nfs/dbraw/zinc/56/70/17/983567017.db2.gz	JABDVCWCAJQHGR-SCDSUCTJSA-N	-1	0	291.778	3.623	20	30		CHEDRM
C=C(C)C[C@@H](Nc1ncnc2ccc(C(C)C)cc21)C(=O)[O-]	ZINC001588555053	983633067	/nfs/dbraw/zinc/63/30/67/983633067.db2.gz	XWLUKKMTGWBTAE-OAHLLOKOSA-N	-1	0	299.374	3.585	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001588606023	983696049	/nfs/dbraw/zinc/69/60/49/983696049.db2.gz	UYOXDSPPPPXMAU-UHFFFAOYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=C[C@@H](Nc1ccc(Oc2ccccc2)cc1OC)C(=O)[O-]	ZINC001588702235	983919498	/nfs/dbraw/zinc/91/94/98/983919498.db2.gz	NTDAGDRNBURXGZ-CQSZACIVSA-N	-1	0	299.326	3.539	20	30		CHEDRM
C=C[C@H](Sc1nc(C)c(C)n1C1CCCCC1)C(=O)[O-]	ZINC001588714159	983950266	/nfs/dbraw/zinc/95/02/66/983950266.db2.gz	ACYJFYRKWYLJRR-ZDUSSCGKSA-N	-1	0	294.420	3.736	20	30		CHEDRM
C=CC[C@@H](C(=O)[O-])N1C[C@H](c2ccccc2)c2ccccc21	ZINC001588729468	983990454	/nfs/dbraw/zinc/99/04/54/983990454.db2.gz	QUANKIANLFWLRB-AEFFLSMTSA-N	-1	0	293.366	3.668	20	30		CHEDRM
C=CCC(C)(C)C(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC001588736322	984023992	/nfs/dbraw/zinc/02/39/92/984023992.db2.gz	HGYFHHGPUOTONH-UHFFFAOYSA-N	-1	0	296.750	3.684	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC001588737296	984029343	/nfs/dbraw/zinc/02/93/43/984029343.db2.gz	IDCMIWJGIKPCGE-UHFFFAOYSA-N	-1	0	287.359	3.654	20	30		CHEDRM
C=CC[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)[O-]	ZINC001588759118	984109426	/nfs/dbraw/zinc/10/94/26/984109426.db2.gz	PQZWJVWERAFRHH-LBPRGKRZSA-N	-1	0	293.319	3.602	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2C)CCCC1	ZINC001588764876	984123503	/nfs/dbraw/zinc/12/35/03/984123503.db2.gz	JYOGCGYZJZDDJB-UHFFFAOYSA-N	-1	0	287.359	3.768	20	30		CHEDRM
C=CCC[C@@H](C)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001588777562	984156858	/nfs/dbraw/zinc/15/68/58/984156858.db2.gz	DKMKSBYIJSRXJL-CHWSQXEVSA-N	-1	0	261.365	3.716	20	30		CHEDRM
C=CCCCCSc1nc2ccc(C(=O)[O-])cc2o1	ZINC001588802326	984248721	/nfs/dbraw/zinc/24/87/21/984248721.db2.gz	HJHYVUYRFDWVAI-UHFFFAOYSA-N	-1	0	277.345	3.974	20	30		CHEDRM
C=CCCc1ccccc1NCc1ccc(C(=O)[O-])cn1	ZINC001588817182	984274537	/nfs/dbraw/zinc/27/45/37/984274537.db2.gz	CLLGVWPVZOSBOJ-UHFFFAOYSA-N	-1	0	282.343	3.511	20	30		CHEDRM
CCOc1ccc(NN=C(C)c2ccc(C(=O)[O-])cc2)cc1	ZINC001597125711	986831656	/nfs/dbraw/zinc/83/16/56/986831656.db2.gz	BYIHVLANEGJWIW-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CC(C)(C#N)CCSCc1ccc(C(=O)[O-])cc1F	ZINC001589554451	987301136	/nfs/dbraw/zinc/30/11/36/987301136.db2.gz	ATRHLSLGTGQYOT-UHFFFAOYSA-N	-1	0	281.352	3.697	20	30		CHEDRM
CC(C)(C)C#CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001589684780	987723019	/nfs/dbraw/zinc/72/30/19/987723019.db2.gz	KHHRMIYYCPFYAR-UHFFFAOYSA-N	-1	0	295.338	3.526	20	30		CHEDRM
CC(C)C[C@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001591190881	991997371	/nfs/dbraw/zinc/99/73/71/991997371.db2.gz	CEGHIOMNUNLFNH-NSHDSACASA-N	-1	0	283.780	3.803	20	30		CHEDRM
O=C(/C=C/c1cc(Cl)cs1)c1ccc(O)cc1[O-]	ZINC000195338993	1120620724	/nfs/dbraw/zinc/62/07/24/1120620724.db2.gz	SWLXDQJYNANHNK-DUXPYHPUSA-N	-1	0	280.732	3.709	20	30		CHEDRM
CC1(CSc2ccc(C(=O)[O-])nc2C#N)CCCCC1	ZINC001594039138	997647093	/nfs/dbraw/zinc/64/70/93/997647093.db2.gz	KQBXORLZCLWBEJ-UHFFFAOYSA-N	-1	0	290.388	3.714	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(F)c1	ZINC001175327945	1121285331	/nfs/dbraw/zinc/28/53/31/1121285331.db2.gz	XZYJOSLKWBCFAM-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
CCC[C@@H](C)[C@H](Oc1[n-]c(=O)cc(C)c1C#N)C(C)C	ZINC001233919291	1132698820	/nfs/dbraw/zinc/69/88/20/1132698820.db2.gz	DWDZOVQEILFXAD-IAQYHMDHSA-N	-1	0	276.380	3.807	20	30		CHEDRM
N#Cc1ncc(Nc2ccc(Cl)c([O-])c2F)cc1Cl	ZINC001214797928	1134573661	/nfs/dbraw/zinc/57/36/61/1134573661.db2.gz	KEXCREZWPDKIHP-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
C[C@@H](CC(C)(C)S)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884522	1135634258	/nfs/dbraw/zinc/63/42/58/1135634258.db2.gz	HZDRCNAOZNZSTH-YFKPBYRVSA-N	-1	0	298.301	3.814	20	30		CHEDRM
Cc1cccc(NC(=O)Nc2cc(C#N)ccc2[O-])c1C	ZINC001202704675	1125521250	/nfs/dbraw/zinc/52/12/50/1125521250.db2.gz	ZXLPYKGWCPJUFE-UHFFFAOYSA-N	-1	0	281.315	3.525	20	30		CHEDRM
Cc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1C#N	ZINC001211965254	1125532819	/nfs/dbraw/zinc/53/28/19/1125532819.db2.gz	WDVOIDYKSFCGIE-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000136505965	1125640693	/nfs/dbraw/zinc/64/06/93/1125640693.db2.gz	YLOMCEDXVKWVSJ-FNORWQNLSA-N	-1	0	289.312	3.566	20	30		CHEDRM
Cn1c(Nc2scc([O-])c2C#N)cc2ccccc21	ZINC001212042927	1125659527	/nfs/dbraw/zinc/65/95/27/1125659527.db2.gz	CXJBIFLZSYQGIW-UHFFFAOYSA-N	-1	0	269.329	3.561	20	30		CHEDRM
COc1c(Cl)ccc(Nc2scc([O-])c2C#N)c1F	ZINC001212583157	1129687769	/nfs/dbraw/zinc/68/77/69/1129687769.db2.gz	IPLCFUPFOGIESD-UHFFFAOYSA-N	-1	0	298.726	3.870	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2C[C@@H]3CCC[C@H]3C2)cc1F	ZINC000905475591	1126903128	/nfs/dbraw/zinc/90/31/28/1126903128.db2.gz	DARPSZUTQDSOPU-UWVGGRQHSA-N	-1	0	276.311	3.502	20	30		CHEDRM
O=C(/C=C\c1cccc(Cl)c1)c1ccc(O)cc1[O-]	ZINC000210014174	1127109559	/nfs/dbraw/zinc/10/95/59/1127109559.db2.gz	WDFYNXTUDGMXOL-DAXSKMNVSA-N	-1	0	274.703	3.647	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3ccccc3o2)n1	ZINC000003196088	1128129062	/nfs/dbraw/zinc/12/90/62/1128129062.db2.gz	FBYGGEYDBMOXST-NSHDSACASA-N	-1	0	282.324	3.688	20	30		CHEDRM
C=CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000176520687	1128172801	/nfs/dbraw/zinc/17/28/01/1128172801.db2.gz	UDQYIPDHTXZEAI-CQSZACIVSA-N	-1	0	294.354	3.724	20	30		CHEDRM
C=CCC[C@H](C(=O)[N-]OC1CCCC1)c1ccccc1	ZINC000777819731	1128284229	/nfs/dbraw/zinc/28/42/29/1128284229.db2.gz	ZCQAIMLKXOZWAS-INIZCTEOSA-N	-1	0	273.376	3.727	20	30		CHEDRM
C[C@@H]1CC(=NNc2ccc(C#N)cc2)c2c1c(F)ccc2O	ZINC000915961928	1128400749	/nfs/dbraw/zinc/40/07/49/1128400749.db2.gz	KSIROZOXIAYUJJ-SNVBAGLBSA-N	-1	0	295.317	3.726	20	30		CHEDRM
COc1ccc(C)cc1/C=C1/Oc2cc(O)cc(C)c2C1=O	ZINC000915988811	1128401849	/nfs/dbraw/zinc/40/18/49/1128401849.db2.gz	IBNKMZUXWHOCNY-LZYBPNLTSA-N	-1	0	296.322	3.634	20	30		CHEDRM
CCCCCCCC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763368961	1128417986	/nfs/dbraw/zinc/41/79/86/1128417986.db2.gz	CMMVNWAYHZQRIJ-UHFFFAOYSA-N	-1	0	277.368	3.928	20	30		CHEDRM
CC(C)[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1C	ZINC000763369260	1128418946	/nfs/dbraw/zinc/41/89/46/1128418946.db2.gz	USQOLCSHNWPYBV-FZMZJTMJSA-N	-1	0	289.379	3.640	20	30		CHEDRM
Cc1ccccc1C[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000917556872	1128506992	/nfs/dbraw/zinc/50/69/92/1128506992.db2.gz	QDHVQRGDUQBWHQ-FHNWIRHTSA-N	-1	0	298.342	3.659	20	30		CHEDRM
CCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)sc1C	ZINC000041574573	1128548136	/nfs/dbraw/zinc/54/81/36/1128548136.db2.gz	YUEYXMQCTJDZKA-ZDUSSCGKSA-N	-1	0	299.399	3.516	20	30		CHEDRM
C[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C	ZINC000920943100	1128695681	/nfs/dbraw/zinc/69/56/81/1128695681.db2.gz	NMLWONCHPJZJMC-BQESUSLJSA-N	-1	0	276.336	3.544	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H]2CC=CCC2)c1[O-]	ZINC000920991614	1128696710	/nfs/dbraw/zinc/69/67/10/1128696710.db2.gz	YDNKHWAVVZQSDW-MQHRVFIMSA-N	-1	0	294.738	3.729	20	30		CHEDRM
N#C[C@@H](C(=O)C=Cc1ccc(Cl)s1)c1ccccn1	ZINC000049457320	1117750041	/nfs/dbraw/zinc/75/00/41/1117750041.db2.gz	HPXNFAWHLJUREG-DUMNWFOQSA-N	-1	0	288.759	3.686	20	30		CHEDRM
O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccc([O-])c(F)c1	ZINC000255008077	1117953454	/nfs/dbraw/zinc/95/34/54/1117953454.db2.gz	YZNWWGSCHXWLTC-IWQZZHSRSA-N	-1	0	296.219	3.845	20	30		CHEDRM
N#Cc1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])s1	ZINC000255130048	1118280160	/nfs/dbraw/zinc/28/01/60/1118280160.db2.gz	SQJBCBCXWPYTPK-XQRVVYSFSA-N	-1	0	289.743	3.875	20	30		CHEDRM
N#Cc1c(Nc2ccccc2C(=O)[O-])sc2c1CCC2	ZINC001210969611	1118433356	/nfs/dbraw/zinc/43/33/56/1118433356.db2.gz	NEFVOWFLRSBVDA-UHFFFAOYSA-N	-1	0	284.340	3.550	20	30		CHEDRM
COC1(C/N=C\c2cc(Cl)cc(Cl)c2[O-])CCC1	ZINC000588410013	1118583768	/nfs/dbraw/zinc/58/37/68/1118583768.db2.gz	XOEJWXIMICUIGS-APSNUPSMSA-N	-1	0	288.174	3.687	20	30		CHEDRM
CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC	ZINC000076761748	1128788313	/nfs/dbraw/zinc/78/83/13/1128788313.db2.gz	AUZBTPJNRNAVTG-GFCCVEGCSA-N	-1	0	277.430	3.679	20	30		CHEDRM
CSc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255389588	1118748068	/nfs/dbraw/zinc/74/80/68/1118748068.db2.gz	WMMFRJLEUOQFBH-UHFFFAOYSA-N	-1	0	288.328	3.773	20	30		CHEDRM
C[C@H](CCc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022727117	1118822838	/nfs/dbraw/zinc/82/28/38/1118822838.db2.gz	WFBQPYSKLGBAAL-RNEAKCBISA-N	-1	0	298.342	3.741	20	30		CHEDRM
COc1ccc(C)cc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728438987	1118946855	/nfs/dbraw/zinc/94/68/55/1118946855.db2.gz	SPNPHZRTEFPFJA-AATRIKPKSA-N	-1	0	286.302	3.744	20	30		CHEDRM
CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000728438935	1118946872	/nfs/dbraw/zinc/94/68/72/1118946872.db2.gz	RCEPFKFSRZDOJC-VURMDHGXSA-N	-1	0	286.302	3.826	20	30		CHEDRM
Cc1ccccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728438659	1118947882	/nfs/dbraw/zinc/94/78/82/1118947882.db2.gz	KKQCDCUMJIVNQR-SOFGYWHQSA-N	-1	0	256.276	3.736	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000255480374	1119013360	/nfs/dbraw/zinc/01/33/60/1119013360.db2.gz	HOIZJSZGSYHWQA-FOQNGQEVSA-N	-1	0	286.356	3.749	20	30		CHEDRM
Cc1cc(Nc2ccc(F)c(C#N)c2F)cc(C(=O)[O-])c1	ZINC001211545049	1119079054	/nfs/dbraw/zinc/07/90/54/1119079054.db2.gz	PSWYNDLNNXLVFJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(Nc2cccc(CC#N)c2)cc(C(=O)[O-])c1	ZINC001211547366	1119101013	/nfs/dbraw/zinc/10/10/13/1119101013.db2.gz	MVWOAIQNAXNARM-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1cc(Nc2cc(F)cc(F)c2C#N)cc(C(=O)[O-])c1	ZINC001211550036	1119124112	/nfs/dbraw/zinc/12/41/12/1119124112.db2.gz	UBQSGLWFVHIGQK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(Nc2c(F)cc(F)cc2C#N)cc1C(=O)[O-]	ZINC001211607906	1119465393	/nfs/dbraw/zinc/46/53/93/1119465393.db2.gz	CGYLEVGDMAHFRO-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccccc1CC#N	ZINC001211624421	1119610532	/nfs/dbraw/zinc/61/05/32/1119610532.db2.gz	HCJAGEQZNBGJMB-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cccc(Cl)c1C#N	ZINC001211624548	1119612481	/nfs/dbraw/zinc/61/24/81/1119612481.db2.gz	LRLFSAXMPAZSHJ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(Cl)nc1	ZINC000255714392	1119733036	/nfs/dbraw/zinc/73/30/36/1119733036.db2.gz	YSJXCQGWZCHZKH-IWQZZHSRSA-N	-1	0	295.672	3.615	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccc(F)s2)n1	ZINC000659115208	1120068138	/nfs/dbraw/zinc/06/81/38/1120068138.db2.gz	RAGFWEOIMNSIKN-QMMMGPOBSA-N	-1	0	294.376	3.957	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc3c(c2)CCC3)s1	ZINC001116139035	1120070947	/nfs/dbraw/zinc/07/09/47/1120070947.db2.gz	DOZKONJIYLXTTA-FNORWQNLSA-N	-1	0	298.363	3.831	20	30		CHEDRM
C=CCN(CC=C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000180301817	1120098394	/nfs/dbraw/zinc/09/83/94/1120098394.db2.gz	BXRRBELXIHSSEQ-UHFFFAOYSA-N	-1	0	286.158	3.513	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cccc(Cl)c2)c1	ZINC000765827562	1120113085	/nfs/dbraw/zinc/11/30/85/1120113085.db2.gz	WCDHEDSEFPQECY-SNAWJCMRSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C=CCCCCCO[N-]C(=O)C(C)(C)c1ccccc1	ZINC000783030535	1120176974	/nfs/dbraw/zinc/17/69/74/1120176974.db2.gz	VFCVXILSOBXMJS-UHFFFAOYSA-N	-1	0	275.392	3.758	20	30		CHEDRM
C=CC1CCN(C(=O)c2cc(O)c3ccccc3c2)CC1	ZINC000354203629	1120192620	/nfs/dbraw/zinc/19/26/20/1120192620.db2.gz	LXUWUGDBYJPUNX-UHFFFAOYSA-N	-1	0	281.355	3.584	20	30		CHEDRM
COc1cc(C#N)ccc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214489148	1120305937	/nfs/dbraw/zinc/30/59/37/1120305937.db2.gz	UNPOHPRWNCJBCY-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(C#N)cc2F)ccc1C(=O)[O-]	ZINC001211657190	1120571582	/nfs/dbraw/zinc/57/15/82/1120571582.db2.gz	FOPPRDWREFMINO-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(Nc2c(C)cc(C#N)cc2C)ccc1C(=O)[O-]	ZINC001211657668	1120582737	/nfs/dbraw/zinc/58/27/37/1120582737.db2.gz	VQCKTLAHISKIKF-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222413104	1120591522	/nfs/dbraw/zinc/59/15/22/1120591522.db2.gz	WMEWJKIHFIPSNJ-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)CCCC2=O	ZINC001213102242	1120679023	/nfs/dbraw/zinc/67/90/23/1120679023.db2.gz	QZRIOGCSENWDMC-UHFFFAOYSA-N	-1	0	284.340	3.588	20	30		CHEDRM
Cc1cc(Nc2c(F)ccc(F)c2C#N)ccc1C(=O)[O-]	ZINC001211663486	1120701596	/nfs/dbraw/zinc/70/15/96/1120701596.db2.gz	LYUCWIYHNPVULD-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])s1	ZINC001174809933	1121055627	/nfs/dbraw/zinc/05/56/27/1121055627.db2.gz	VPJPRLGSTLLCRC-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(C(=O)[O-])s2)cc1C#N	ZINC001174813362	1121057202	/nfs/dbraw/zinc/05/72/02/1121057202.db2.gz	YRGJGBHPQPPMKB-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174954028	1121109363	/nfs/dbraw/zinc/10/93/63/1121109363.db2.gz	XSBIGHXRJKSMQG-UHFFFAOYSA-N	-1	0	294.354	3.858	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cccc(CC#N)c1	ZINC001174983979	1121141060	/nfs/dbraw/zinc/14/10/60/1121141060.db2.gz	HBUXLFQNXHZCSU-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C)cccc1C#N	ZINC001174982405	1121141439	/nfs/dbraw/zinc/14/14/39/1121141439.db2.gz	NLMIZJQBNPWIMN-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
CC(=O)c1ccc(Nc2cc(C(=O)[O-])ccc2C)c(C#N)c1	ZINC001174985032	1121142684	/nfs/dbraw/zinc/14/26/84/1121142684.db2.gz	ZFTGYTUKCHNOPO-UHFFFAOYSA-N	-1	0	294.310	3.511	20	30		CHEDRM
C=CCCCCCCNC(=O)c1cccc(Cl)c1[O-]	ZINC001128749056	1121145945	/nfs/dbraw/zinc/14/59/45/1121145945.db2.gz	XFOKBUFVENHODM-UHFFFAOYSA-N	-1	0	281.783	3.912	20	30		CHEDRM
C#Cc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175314830	1121279466	/nfs/dbraw/zinc/27/94/66/1121279466.db2.gz	CEXUKBCRDZVQCX-UHFFFAOYSA-N	-1	0	271.703	3.763	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175319168	1121280690	/nfs/dbraw/zinc/28/06/90/1121280690.db2.gz	OZZMYUWXIUFBEK-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1	ZINC001175329780	1121286581	/nfs/dbraw/zinc/28/65/81/1121286581.db2.gz	VRDYKBSYSXWYOO-NSHDSACASA-N	-1	0	266.300	3.755	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1	ZINC001175329779	1121287161	/nfs/dbraw/zinc/28/71/61/1121287161.db2.gz	VRDYKBSYSXWYOO-LLVKDONJSA-N	-1	0	266.300	3.755	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)co1	ZINC000682001936	1121478444	/nfs/dbraw/zinc/47/84/44/1121478444.db2.gz	DURBJZUGIAOFBP-CQSZACIVSA-N	-1	0	276.295	3.626	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)s1	ZINC001176582329	1121647444	/nfs/dbraw/zinc/64/74/44/1121647444.db2.gz	WXAMANBQQHOLLZ-UHFFFAOYSA-N	-1	0	298.367	3.788	20	30		CHEDRM
Cc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001176586413	1121647512	/nfs/dbraw/zinc/64/75/12/1121647512.db2.gz	FTVHQAKFQZWRMJ-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176670487	1121671137	/nfs/dbraw/zinc/67/11/37/1121671137.db2.gz	WHFWTXMWDCNMRT-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176670105	1121671198	/nfs/dbraw/zinc/67/11/98/1121671198.db2.gz	RIQUXWBVFLCIEV-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001176712556	1121690363	/nfs/dbraw/zinc/69/03/63/1121690363.db2.gz	HKNPJBLNSZRFOP-NSHDSACASA-N	-1	0	266.300	3.755	20	30		CHEDRM
CCC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000729149723	1121757654	/nfs/dbraw/zinc/75/76/54/1121757654.db2.gz	OGWROWSWZGZXOK-DZBQEORWSA-N	-1	0	299.330	3.656	20	30		CHEDRM
Cc1cc(F)ccc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000730148864	1121794428	/nfs/dbraw/zinc/79/44/28/1121794428.db2.gz	NVQHJQZUMQKVPA-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
N#C[C@@H](Oc1ccc([S-])cc1)c1ccccc1F	ZINC001225557665	1121828113	/nfs/dbraw/zinc/82/81/13/1121828113.db2.gz	JCCUTWPNIUGLCN-CQSZACIVSA-N	-1	0	259.305	3.758	20	30		CHEDRM
CCCNC(=S)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000731318844	1121865019	/nfs/dbraw/zinc/86/50/19/1121865019.db2.gz	DRGPOPNFAHMEQH-LLVKDONJSA-N	-1	0	293.461	3.777	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1F	ZINC000731490371	1121870345	/nfs/dbraw/zinc/87/03/45/1121870345.db2.gz	VVBOIPBDWIULIC-PLNGDYQASA-N	-1	0	290.315	3.790	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cc(F)ccc2F)c1	ZINC000774117484	1122126352	/nfs/dbraw/zinc/12/63/52/1122126352.db2.gz	DBEUJXIHEFGFFU-DAXSKMNVSA-N	-1	0	288.249	3.559	20	30		CHEDRM
Cc1ccc2c(c1)C/C(=C\c1cccc(C(=O)[O-])c1)C2=O	ZINC000774127830	1122131721	/nfs/dbraw/zinc/13/17/21/1122131721.db2.gz	WKHAFNAKPQPMQC-OQLLNIDSSA-N	-1	0	278.307	3.516	20	30		CHEDRM
C[C@@H](C(=O)Nc1ccccc1[S-])c1ccc(C#N)cc1	ZINC001182798849	1122188139	/nfs/dbraw/zinc/18/81/39/1122188139.db2.gz	RVEZJBJGJLCEEG-LLVKDONJSA-N	-1	0	282.368	3.589	20	30		CHEDRM
N#Cc1cc(NC(=O)c2ccc(F)cc2[O-])ccc1C1CC1	ZINC001184191340	1122258007	/nfs/dbraw/zinc/25/80/07/1122258007.db2.gz	UWQLQLATHQZFLH-UHFFFAOYSA-N	-1	0	296.301	3.533	20	30		CHEDRM
O=C(C=Cc1ccc(-n2cccn2)cc1)c1sccc1[O-]	ZINC000193147922	1129056322	/nfs/dbraw/zinc/05/63/22/1129056322.db2.gz	LAAFECBWMVSTJT-QPJJXVBHSA-N	-1	0	296.351	3.536	20	30		CHEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000435769646	1122488364	/nfs/dbraw/zinc/48/83/64/1122488364.db2.gz	ATDMPQUVWUBLEQ-LBPRGKRZSA-N	-1	0	299.355	3.530	20	30		CHEDRM
C=C(C)c1cccc(C(C)(C)NC(=O)NC2=CC=C[CH]2)c1	ZINC001189278054	1122493657	/nfs/dbraw/zinc/49/36/57/1122493657.db2.gz	HOPMJGCOZKSJIT-UHFFFAOYSA-N	-1	0	281.379	3.912	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccsc2C(=O)[O-])n1	ZINC001205565967	1122606849	/nfs/dbraw/zinc/60/68/49/1122606849.db2.gz	ZDKKVBKMBBDNOU-UHFFFAOYSA-N	-1	0	286.356	3.677	20	30		CHEDRM
C=CCOC(=O)Nc1cc(C(F)(F)F)ccc1[S-]	ZINC001194318797	1122764758	/nfs/dbraw/zinc/76/47/58/1122764758.db2.gz	NBTIVTIDNVNYSX-UHFFFAOYSA-N	-1	0	277.267	3.729	20	30		CHEDRM
C=CCN(Cc1cc(Cl)cc(F)c1[O-])CC(F)(F)F	ZINC000775660324	1122873222	/nfs/dbraw/zinc/87/32/22/1122873222.db2.gz	DFILKQBMZRKRMJ-UHFFFAOYSA-N	-1	0	297.679	3.735	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2cccc3c2CCCC3)n1	ZINC000519583285	1122910755	/nfs/dbraw/zinc/91/07/55/1122910755.db2.gz	LDXQZWAXXVHUMR-OAHLLOKOSA-N	-1	0	296.395	3.820	20	30		CHEDRM
CCCCCCCNC(=S)Nc1ccc(C(=O)[O-])cc1	ZINC001197127005	1122946497	/nfs/dbraw/zinc/94/64/97/1122946497.db2.gz	JERODERMGHYNDO-UHFFFAOYSA-N	-1	0	294.420	3.642	20	30		CHEDRM
Cc1ccc(NC(=S)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC001197986762	1122978229	/nfs/dbraw/zinc/97/82/29/1122978229.db2.gz	HCQSAIWEFICGIP-UHFFFAOYSA-N	-1	0	297.383	3.690	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201221923	1123079855	/nfs/dbraw/zinc/07/98/55/1123079855.db2.gz	FVZHOYDBRKANLK-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
CC1(C)SC[C@H]1/N=C(/[O-])Nc1nc2ccsc2s1	ZINC000328733402	1123109606	/nfs/dbraw/zinc/10/96/06/1123109606.db2.gz	HTCSNPCHHSSFGH-SSDOTTSWSA-N	-1	0	299.446	3.578	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000330501518	1123119852	/nfs/dbraw/zinc/11/98/52/1123119852.db2.gz	AJUQQDKCNRRHNP-NSHDSACASA-N	-1	0	288.372	3.966	20	30		CHEDRM
CCCCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000442899399	1123348095	/nfs/dbraw/zinc/34/80/95/1123348095.db2.gz	KTIFQMKIMIIHJB-UHFFFAOYSA-N	-1	0	294.354	3.859	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCC(C(F)F)CC2)c1	ZINC000840710558	1123715083	/nfs/dbraw/zinc/71/50/83/1123715083.db2.gz	KEGHLVJZJVDWHD-CAOOACKPSA-N	-1	0	298.289	3.543	20	30		CHEDRM
CCO[C@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000840710018	1123718941	/nfs/dbraw/zinc/71/89/41/1123718941.db2.gz	HLHHQIBMZVSCDG-QLYAKTQZSA-N	-1	0	288.174	3.685	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccc3occc3c2)cc1	ZINC000794857964	1124004821	/nfs/dbraw/zinc/00/48/21/1124004821.db2.gz	ZUXZBHBNVDTTTD-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055183	1129163891	/nfs/dbraw/zinc/16/38/91/1129163891.db2.gz	DIHDPYZEEGTXIZ-UHFFFAOYSA-N	-1	0	289.441	3.822	20	30		CHEDRM
CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055468	1129164063	/nfs/dbraw/zinc/16/40/63/1129164063.db2.gz	GKDGQQSNVVUTOI-GFCCVEGCSA-N	-1	0	289.441	3.822	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2c(F)ccc(O)c2F)c([O-])c1	ZINC000794941775	1124094664	/nfs/dbraw/zinc/09/46/64/1124094664.db2.gz	XNUDVWLWAVAQEC-GQCTYLIASA-N	-1	0	290.265	3.581	20	30		CHEDRM
C=C(C)c1cncc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239352968	1131321342	/nfs/dbraw/zinc/32/13/42/1131321342.db2.gz	KMZLDRJAYVNTSJ-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000879979311	1125241623	/nfs/dbraw/zinc/24/16/23/1125241623.db2.gz	AIOWNMKLJRXYAZ-UHFFFAOYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000213228530	1125359035	/nfs/dbraw/zinc/35/90/35/1125359035.db2.gz	AEZOYDAAFPWNAL-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
CC[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000026302442	1125363809	/nfs/dbraw/zinc/36/38/09/1125363809.db2.gz	LTYXEMVHKWAYLO-RNEAKCBISA-N	-1	0	298.342	3.913	20	30		CHEDRM
C[C@@H](Oc1cccc(C#N)c1Br)C1=CC=C[CH]1	ZINC001229004024	1125365228	/nfs/dbraw/zinc/36/52/28/1125365228.db2.gz	BUISTUXHCNBSMV-SNVBAGLBSA-N	-1	0	289.152	3.789	20	30		CHEDRM
O=C(C=Cc1ccn(-c2ccccc2)n1)c1sccc1[O-]	ZINC000184516399	1129209459	/nfs/dbraw/zinc/20/94/59/1129209459.db2.gz	UAFAMRSEIGPKRD-VOTSOKGWSA-N	-1	0	296.351	3.536	20	30		CHEDRM
Cc1ccc2[nH]cc(CN=Nc3ccccc3C(=O)[O-])c2c1	ZINC000735612084	1129353227	/nfs/dbraw/zinc/35/32/27/1129353227.db2.gz	HNFINZKWDJYPLC-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
Cc1ccc(-c2nc(C(C)C)ccc2C#N)c([O-])c1	ZINC001241028107	1129409510	/nfs/dbraw/zinc/40/95/10/1129409510.db2.gz	JRVZFGODAFAFMK-UHFFFAOYSA-N	-1	0	252.317	3.758	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)[nH]1	ZINC000642280843	1129412247	/nfs/dbraw/zinc/41/22/47/1129412247.db2.gz	JLNPQAXYZNJKGQ-GFCCVEGCSA-N	-1	0	295.367	3.731	20	30		CHEDRM
Cc1cc(C)c(C#N)c(-c2cc(C(F)(F)F)ccc2[O-])n1	ZINC001242126149	1129659222	/nfs/dbraw/zinc/65/92/22/1129659222.db2.gz	HBXWWYRFEXZGGC-UHFFFAOYSA-N	-1	0	292.260	3.962	20	30		CHEDRM
COc1cccc(C#N)c1Nc1c(Cl)ccc([O-])c1F	ZINC001214561406	1129665898	/nfs/dbraw/zinc/66/58/98/1129665898.db2.gz	KPZHXVFGTIAHGO-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
COc1cccc(C#N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212593280	1129743143	/nfs/dbraw/zinc/74/31/43/1129743143.db2.gz	JHXZEGUVELGQKC-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1occc1C	ZINC000767742991	1129810886	/nfs/dbraw/zinc/81/08/86/1129810886.db2.gz	MVGUCAWQOBSHJU-UHFFFAOYSA-N	-1	0	292.722	3.776	20	30		CHEDRM
C[C@H]1C(N=Nc2ccccc2C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000767761632	1129812138	/nfs/dbraw/zinc/81/21/38/1129812138.db2.gz	CRHXKTKQOQVAAL-DOMZBBRYSA-N	-1	0	294.354	3.976	20	30		CHEDRM
C=CCc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])cc1	ZINC000901085909	1129909205	/nfs/dbraw/zinc/90/92/05/1129909205.db2.gz	CTYYPMQJJYBPHO-UHFFFAOYSA-N	-1	0	270.332	3.558	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C\C(=O)c1c([O-])cccc1F	ZINC000901561042	1129936531	/nfs/dbraw/zinc/93/65/31/1129936531.db2.gz	LWVMIGVHKXNFDU-FPLPWBNLSA-N	-1	0	288.322	3.513	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1	ZINC000802892062	1130060627	/nfs/dbraw/zinc/06/06/27/1130060627.db2.gz	YVQTVLJFLIFXFH-RRFJBIMHSA-N	-1	0	298.386	3.809	20	30		CHEDRM
O=C1c2ccc(O)cc2C/C1=C\c1nccc2ccccc21	ZINC000780188170	1130233653	/nfs/dbraw/zinc/23/36/53/1130233653.db2.gz	LRYVZZKWQZHCJK-SDNWHVSQSA-N	-1	0	287.318	3.763	20	30		CHEDRM
C#C[C@H](CCC)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000790098277	1130291211	/nfs/dbraw/zinc/29/12/11/1130291211.db2.gz	FYWKIWHUIMGIAC-FNQVVVRFSA-N	-1	0	270.159	3.920	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3cccc(/C=C/C(=O)[O-])c3)cc12	ZINC001240549794	1130352088	/nfs/dbraw/zinc/35/20/88/1130352088.db2.gz	WQRGUFPGCHKJNJ-QPJJXVBHSA-N	-1	0	288.306	3.804	20	30		CHEDRM
N#CCc1ccc(F)c(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240550546	1130353205	/nfs/dbraw/zinc/35/32/05/1130353205.db2.gz	FVDUKYXEQYTKRD-FNORWQNLSA-N	-1	0	281.286	3.657	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C)c(C#N)c(C)c1	ZINC001240735365	1130446642	/nfs/dbraw/zinc/44/66/42/1130446642.db2.gz	VYTDMSIVYXWAMP-UHFFFAOYSA-N	-1	0	281.311	3.549	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c(C)c1	ZINC000772795863	1130449572	/nfs/dbraw/zinc/44/95/72/1130449572.db2.gz	FYENDAVUUJNMJW-YWEYNIOJSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])s1	ZINC000757472569	1130485483	/nfs/dbraw/zinc/48/54/83/1130485483.db2.gz	OQLAVZGYLRADMK-VURMDHGXSA-N	-1	0	274.341	3.618	20	30		CHEDRM
N#CCc1c[nH]c2cccc(-c3ccc(C(=O)[O-])s3)c12	ZINC001240847884	1130492194	/nfs/dbraw/zinc/49/21/94/1130492194.db2.gz	QKHCJDJJCJHJLU-UHFFFAOYSA-N	-1	0	282.324	3.661	20	30		CHEDRM
N#Cc1nc2c(cccc2-c2ccc(C(=O)[O-])s2)s1	ZINC001240848545	1130493169	/nfs/dbraw/zinc/49/31/69/1130493169.db2.gz	FTTSUESMVISOPI-UHFFFAOYSA-N	-1	0	286.337	3.595	20	30		CHEDRM
COc1cc(F)c(-c2cc(/C=N/[O-])ccc2F)cc1F	ZINC001240956910	1130534888	/nfs/dbraw/zinc/53/48/88/1130534888.db2.gz	JJZQIYRDBIHXCI-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
COc1cc(F)c(-c2ccc(/C=N/[O-])c(F)c2)cc1F	ZINC001240956590	1130535188	/nfs/dbraw/zinc/53/51/88/1130535188.db2.gz	CDQSGMJMFYWROT-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(CC#N)c1F	ZINC001241000957	1130558687	/nfs/dbraw/zinc/55/86/87/1130558687.db2.gz	OYFNTTBZGHSGNM-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2[nH]c(C#N)cc2c1	ZINC001241002397	1130559053	/nfs/dbraw/zinc/55/90/53/1130559053.db2.gz	ZZTSNCIUXMSVGP-UHFFFAOYSA-N	-1	0	276.295	3.713	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NOCC(F)(F)F)cc1Cl	ZINC000758117450	1130598668	/nfs/dbraw/zinc/59/86/68/1130598668.db2.gz	KLQQVLCLOMOHJJ-UHFFFAOYSA-N	-1	0	288.052	3.612	20	30		CHEDRM
O=C(/C=C/C=C/c1ccc(F)cc1)c1ccc(O)cc1[O-]	ZINC000747694470	1130601596	/nfs/dbraw/zinc/60/15/96/1130601596.db2.gz	XXZJTXOZUFDEAM-ZPUQHVIOSA-N	-1	0	284.286	3.689	20	30		CHEDRM
Cc1ccsc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759090176	1130636113	/nfs/dbraw/zinc/63/61/13/1130636113.db2.gz	JODSJIAUMPIRCE-SNAWJCMRSA-N	-1	0	289.312	3.566	20	30		CHEDRM
C#C[C@H](Oc1ccc2[n-]c(=S)sc2c1)c1ccncc1	ZINC001234426069	1130643862	/nfs/dbraw/zinc/64/38/62/1130643862.db2.gz	YUIMFTAIVBZEEN-ZDUSSCGKSA-N	-1	0	298.392	3.733	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1(C)CC1	ZINC000759424361	1130657716	/nfs/dbraw/zinc/65/77/16/1130657716.db2.gz	ATCXLJHWZZMZMD-CYBMUJFWSA-N	-1	0	294.354	3.558	20	30		CHEDRM
Cc1ccc(F)c(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000759662977	1130668421	/nfs/dbraw/zinc/66/84/21/1130668421.db2.gz	ANJWPICTQIGTGB-UHFFFAOYSA-N	-1	0	280.249	3.564	20	30		CHEDRM
CC(C)(C)c1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759713941	1130671502	/nfs/dbraw/zinc/67/15/02/1130671502.db2.gz	SYENOZIZLALLMO-UHFFFAOYSA-N	-1	0	294.354	3.814	20	30		CHEDRM
COc1ccc(F)cc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000812241250	1130678699	/nfs/dbraw/zinc/67/86/99/1130678699.db2.gz	FTZFYAKEDKSYAP-HYXAFXHYSA-N	-1	0	290.265	3.575	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2ccccc2c1	ZINC000812445394	1130690430	/nfs/dbraw/zinc/69/04/30/1130690430.db2.gz	XBMNXCBUMGZKFP-UHFFFAOYSA-N	-1	0	290.322	3.984	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc2ccccc2o1	ZINC000812441474	1130690719	/nfs/dbraw/zinc/69/07/19/1130690719.db2.gz	AKOXAXDLHZLLTD-UHFFFAOYSA-N	-1	0	294.310	3.967	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1	ZINC001235028099	1130703569	/nfs/dbraw/zinc/70/35/69/1130703569.db2.gz	JQAMMIHWBMLXLI-XDHOZWIPSA-N	-1	0	295.338	3.668	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000782199458	1130761937	/nfs/dbraw/zinc/76/19/37/1130761937.db2.gz	DTOBIMAUMMNLGH-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
N#Cc1ccc(NC(=O)c2cccc(F)c2[O-])c(C2CC2)c1	ZINC001134159661	1130843770	/nfs/dbraw/zinc/84/37/70/1130843770.db2.gz	XNSZZMSLJHPXHL-UHFFFAOYSA-N	-1	0	296.301	3.533	20	30		CHEDRM
Cc1ccoc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1Cl	ZINC000783708702	1130849248	/nfs/dbraw/zinc/84/92/48/1130849248.db2.gz	DHJXGUGFOXHEIT-SNAWJCMRSA-N	-1	0	290.702	3.836	20	30		CHEDRM
CCc1cnc(/C=C/C(=O)c2cc(Cl)ccc2[O-])s1	ZINC000783710645	1130851454	/nfs/dbraw/zinc/85/14/54/1130851454.db2.gz	KYZZUMPIIIDDFE-AATRIKPKSA-N	-1	0	293.775	3.961	20	30		CHEDRM
O=C([O-])c1c(Cl)ccc(-c2cccc(/C=N/O)c2)c1F	ZINC001236163962	1130879037	/nfs/dbraw/zinc/87/90/37/1130879037.db2.gz	GQSJGIVBLJMRDB-REZTVBANSA-N	-1	0	293.681	3.652	20	30		CHEDRM
CC[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000814680181	1130893907	/nfs/dbraw/zinc/89/39/07/1130893907.db2.gz	DQSZTCNSTJNTLE-ZDUSSCGKSA-N	-1	0	282.343	3.976	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCCC3)cc1	ZINC000814681090	1130894642	/nfs/dbraw/zinc/89/46/42/1130894642.db2.gz	WSGKQJHYWBFEIX-UHFFFAOYSA-N	-1	0	272.348	3.897	20	30		CHEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NNc1ccccc1	ZINC000814684365	1130895477	/nfs/dbraw/zinc/89/54/77/1130895477.db2.gz	PONQJNPCQUJIAE-UHFFFAOYSA-N	-1	0	280.327	3.537	20	30		CHEDRM
O=C([O-])c1cccc(C=NNc2ccc(F)cc2)c1Cl	ZINC000814693556	1130901658	/nfs/dbraw/zinc/90/16/58/1130901658.db2.gz	XSRLIPKKMCVWRI-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
O=C([O-])c1ccccc1N=NCCC1CCCCC1	ZINC000814768687	1130908622	/nfs/dbraw/zinc/90/86/22/1130908622.db2.gz	ISHJPURDMOCHQU-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc2ncccc12	ZINC000814804408	1130918508	/nfs/dbraw/zinc/91/85/08/1130918508.db2.gz	NYZLJNDBTQYHOY-UHFFFAOYSA-N	-1	0	297.358	3.668	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccc(Cl)nc1	ZINC000814858530	1130923899	/nfs/dbraw/zinc/92/38/99/1130923899.db2.gz	AQVSEUXMYMGBOW-UHFFFAOYSA-N	-1	0	297.786	3.948	20	30		CHEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1c(F)cccc1Cl	ZINC000814904875	1130933674	/nfs/dbraw/zinc/93/36/74/1130933674.db2.gz	CIMBNZVHFXGPSW-RKDXNWHRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CCc1cccc(C)c1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000814923064	1130936793	/nfs/dbraw/zinc/93/67/93/1130936793.db2.gz	JIHBGFWYHGCOQN-UHFFFAOYSA-N	-1	0	288.391	3.990	20	30		CHEDRM
Cc1cccnc1N=NC(C)CCCCCCC(=O)[O-]	ZINC000814911376	1130940583	/nfs/dbraw/zinc/94/05/83/1130940583.db2.gz	DWOHVBWOHKYRQZ-UHFFFAOYSA-N	-1	0	277.368	3.603	20	30		CHEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NN1CCC(C(C)(C)C)CC1	ZINC000814913119	1130941799	/nfs/dbraw/zinc/94/17/99/1130941799.db2.gz	HIRWVZFYWRIUAX-OLZOCXBDSA-N	-1	0	294.439	3.621	20	30		CHEDRM
CCOc1ncc(Cl)cc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001236498439	1130958010	/nfs/dbraw/zinc/95/80/10/1130958010.db2.gz	PJMWKJFOHWVZEX-CNHKJKLMSA-N	-1	0	294.713	3.748	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1c(C)cc(C)cc1O	ZINC000799873676	1131110232	/nfs/dbraw/zinc/11/02/32/1131110232.db2.gz	VCEUSPVLIRHKOO-UHFFFAOYSA-N	-1	0	298.342	3.543	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CC12CC2	ZINC000818991467	1131224501	/nfs/dbraw/zinc/22/45/01/1131224501.db2.gz	DNXQQZNHNBDAQS-UWJMNNEMSA-N	-1	0	256.132	3.670	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)C2CC3(C2)CCCCC3)c1	ZINC000831270956	1131482305	/nfs/dbraw/zinc/48/23/05/1131482305.db2.gz	BARBPJDUPKCUPB-UHFFFAOYSA-N	-1	0	284.359	3.563	20	30		CHEDRM
Cc1c(N=NC[C@@H]2CC[C@H](C)C2)cccc1C(=O)[O-]	ZINC000844622570	1131585931	/nfs/dbraw/zinc/58/59/31/1131585931.db2.gz	GHAJOCXNBNCLEW-CMPLNLGQSA-N	-1	0	260.337	3.527	20	30		CHEDRM
C=CCCC(CC)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844622732	1131587336	/nfs/dbraw/zinc/58/73/36/1131587336.db2.gz	CPJRNVOFXHPXOF-UHFFFAOYSA-N	-1	0	260.337	3.837	20	30		CHEDRM
C=C(Cc1ccccc1)C(=O)Nc1ccccc1[S-]	ZINC001144395083	1131625209	/nfs/dbraw/zinc/62/52/09/1131625209.db2.gz	JHEZRTNLUSCLKB-UHFFFAOYSA-N	-1	0	269.369	3.713	20	30		CHEDRM
C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1cccc(C#N)c1	ZINC000834803525	1131706727	/nfs/dbraw/zinc/70/67/27/1131706727.db2.gz	VTCIBRVEQRSGOP-XNFYSYIQSA-N	-1	0	293.297	3.786	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl	ZINC000846548077	1131712890	/nfs/dbraw/zinc/71/28/90/1131712890.db2.gz	CYWLOCJSEFWZMV-BDAKNGLRSA-N	-1	0	288.174	3.719	20	30		CHEDRM
C=C[C@H](CCCCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227716024	1131728591	/nfs/dbraw/zinc/72/85/91/1131728591.db2.gz	JANCTJKKSCXJBQ-VXGBXAGGSA-N	-1	0	292.379	3.677	20	30		CHEDRM
CCc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)cc1	ZINC000835010558	1131755319	/nfs/dbraw/zinc/75/53/19/1131755319.db2.gz	DUMKAFHYNKBSLO-UHFFFAOYSA-N	-1	0	274.364	3.682	20	30		CHEDRM
N#Cc1ncc(Nc2ccc(Cl)c(Cl)c2[O-])cc1F	ZINC001203060990	1131893241	/nfs/dbraw/zinc/89/32/41/1131893241.db2.gz	XOULLSUWTVRGFX-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
C=CC[C@@H](Oc1cnnc(=S)[nH]1)c1ccc(Cl)cc1	ZINC001228636921	1131925638	/nfs/dbraw/zinc/92/56/38/1131925638.db2.gz	RSGVODVUDDIRMR-LLVKDONJSA-N	-1	0	293.779	3.510	20	30		CHEDRM
C=CC[C@H](Oc1cnnc(=S)[nH]1)c1ccc(Cl)cc1	ZINC001228636929	1131926187	/nfs/dbraw/zinc/92/61/87/1131926187.db2.gz	RSGVODVUDDIRMR-NSHDSACASA-N	-1	0	293.779	3.510	20	30		CHEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccc2ccccc2c1	ZINC001228898704	1131975667	/nfs/dbraw/zinc/97/56/67/1131975667.db2.gz	KPOGNLBWELQUBM-LBPRGKRZSA-N	-1	0	290.322	3.952	20	30		CHEDRM
CC1=CCC[C@@H](C)[C@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000773191543	1131982682	/nfs/dbraw/zinc/98/26/82/1131982682.db2.gz	UFQGXBBURLQMBC-OCCSQVGLSA-N	-1	0	272.348	3.775	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@@H](C(C)C)C(F)(F)F	ZINC001229736755	1132112290	/nfs/dbraw/zinc/11/22/90/1132112290.db2.gz	JGUGRAKCOUNBIB-UWONZBIMSA-N	-1	0	275.270	3.851	20	30		CHEDRM
Cc1ncc(C#N)cc1Nc1ccc(C(F)(F)F)cc1O	ZINC001212632312	1132114176	/nfs/dbraw/zinc/11/41/76/1132114176.db2.gz	SQRIFPOMCKJGDB-UHFFFAOYSA-N	-1	0	293.248	3.730	20	30		CHEDRM
C=C[C@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231044171	1132246241	/nfs/dbraw/zinc/24/62/41/1132246241.db2.gz	GRXXBDPNTZWRAC-ZCFIWIBFSA-N	-1	0	272.135	3.608	20	30		CHEDRM
C=CC[C@H](C=C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231048095	1132248551	/nfs/dbraw/zinc/24/85/51/1132248551.db2.gz	GEABDFDWAVNAKP-ZETCQYMHSA-N	-1	0	284.146	3.774	20	30		CHEDRM
C[C@H](C#C[Si](C)(C)C)Oc1cccc2oc(=S)[n-]c21	ZINC001231064589	1132250258	/nfs/dbraw/zinc/25/02/58/1132250258.db2.gz	GLDYWXHVHHTFLG-SNVBAGLBSA-N	-1	0	291.448	3.765	20	30		CHEDRM
CC#CC[C@@H](CC)Oc1cccc2oc(=S)[n-]c21	ZINC001231064609	1132250338	/nfs/dbraw/zinc/25/03/38/1132250338.db2.gz	GRAXJTMWGIGFHY-SNVBAGLBSA-N	-1	0	261.346	3.687	20	30		CHEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1C[C@@H]1C	ZINC000841605385	1132376979	/nfs/dbraw/zinc/37/69/79/1132376979.db2.gz	ZXXNMGIGPIRQQS-WPRPVWTQSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC(NN=c1[n-]nc(-c2ccccc2)s1)=C1CC1(F)F	ZINC000841641681	1132380586	/nfs/dbraw/zinc/38/05/86/1132380586.db2.gz	ZNUYYJUFZYYFSJ-JTQLQIEISA-N	-1	0	294.330	3.648	20	30		CHEDRM
C=C1CCC(CNC(=O)c2c(O)cccc2Cl)CC1	ZINC001154416303	1132615172	/nfs/dbraw/zinc/61/51/72/1132615172.db2.gz	DZGHWEGZIOSXBW-UHFFFAOYSA-N	-1	0	279.767	3.522	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC001155078096	1132640905	/nfs/dbraw/zinc/64/09/05/1132640905.db2.gz	NVKLHCYLJFDLCZ-UHFFFAOYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1C#N	ZINC001233919265	1132698593	/nfs/dbraw/zinc/69/85/93/1132698593.db2.gz	CKWAPZSMXVIGBF-HZSPNIEDSA-N	-1	0	286.375	3.705	20	30		CHEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1	ZINC001158209073	1132765971	/nfs/dbraw/zinc/76/59/71/1132765971.db2.gz	ZFGUXGMGKCVUAD-UHFFFAOYSA-N	-1	0	295.382	3.865	20	30		CHEDRM
N#Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1F	ZINC001174496963	1132861944	/nfs/dbraw/zinc/86/19/44/1132861944.db2.gz	WXWWXSSTTQBCMP-QPJJXVBHSA-N	-1	0	282.274	3.539	20	30		CHEDRM
C=CCCCCCCCNC(=O)c1ccc(F)cc1[O-]	ZINC001161443096	1133001951	/nfs/dbraw/zinc/00/19/51/1133001951.db2.gz	XFQRORRDEOXZJK-UHFFFAOYSA-N	-1	0	279.355	3.788	20	30		CHEDRM
O=C(CCc1nc(-c2cccc(Cl)c2)no1)C1=CC=C[CH]1	ZINC001204656547	1133471820	/nfs/dbraw/zinc/47/18/20/1133471820.db2.gz	OGAAPDGBNFSONH-UHFFFAOYSA-N	-1	0	299.737	3.592	20	30		CHEDRM
Cc1cc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1CC#N	ZINC001205100318	1133528677	/nfs/dbraw/zinc/52/86/77/1133528677.db2.gz	NLRZINTUODRARY-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2ccc(F)c(C(=O)[O-])c2F)[nH]1	ZINC001205096066	1133528966	/nfs/dbraw/zinc/52/89/66/1133528966.db2.gz	WDNPISOJJLPYLF-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#CC[C@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001205681552	1133602132	/nfs/dbraw/zinc/60/21/32/1133602132.db2.gz	YPZHETRADCSXLC-INIZCTEOSA-N	-1	0	281.311	3.556	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2csc(C(=O)[O-])c2)cc1	ZINC001206291319	1133684198	/nfs/dbraw/zinc/68/41/98/1133684198.db2.gz	LPAMCVTVHVTLKS-SECBINFHSA-N	-1	0	257.314	3.740	20	30		CHEDRM
C=CCOCc1cccc(-c2csc(C(=O)[O-])c2)c1	ZINC001206298745	1133686029	/nfs/dbraw/zinc/68/60/29/1133686029.db2.gz	OHPKDEUKNIUWHA-UHFFFAOYSA-N	-1	0	274.341	3.816	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001209892925	1134097373	/nfs/dbraw/zinc/09/73/73/1134097373.db2.gz	ABGGNVNBZQCDPM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210071177	1134140850	/nfs/dbraw/zinc/14/08/50/1134140850.db2.gz	HGBVLHWJOPTIFI-UHFFFAOYSA-N	-1	0	294.354	3.858	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210398753	1134209231	/nfs/dbraw/zinc/20/92/31/1134209231.db2.gz	OWAAQBDQRMOJHP-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2c([O-])cc(F)cc2F)c1	ZINC001210537900	1134241794	/nfs/dbraw/zinc/24/17/94/1134241794.db2.gz	IDYKHIWULCLHFK-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1ccccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl	ZINC001210737743	1134286511	/nfs/dbraw/zinc/28/65/11/1134286511.db2.gz	NOVVVMJTIKBZMF-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
COc1ccc(Nc2cccc([O-])c2Cl)c(C#N)c1	ZINC001210854401	1134314300	/nfs/dbraw/zinc/31/43/00/1134314300.db2.gz	UKMSGQVGUSBEAY-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(C#N)c1	ZINC001214488837	1134543372	/nfs/dbraw/zinc/54/33/72/1134543372.db2.gz	NCVVTOFMFZHPED-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1	ZINC001214486313	1134544051	/nfs/dbraw/zinc/54/40/51/1134544051.db2.gz	ARLRUODPRRSHTK-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1nc(Cl)ccc1Nc1c(Cl)ccc([O-])c1F	ZINC001214554708	1134548824	/nfs/dbraw/zinc/54/88/24/1134548824.db2.gz	ZYKPATDDOGUWRA-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
N#Cc1ccsc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214736332	1134567363	/nfs/dbraw/zinc/56/73/63/1134567363.db2.gz	SVJPILZXCFQMNM-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
Cc1cnc(C#N)c(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214796496	1134573236	/nfs/dbraw/zinc/57/32/36/1134573236.db2.gz	YQKBBFCQCIPIRH-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)cc1C#N	ZINC001214801168	1134574982	/nfs/dbraw/zinc/57/49/82/1134574982.db2.gz	BTDQROYFKRZQSA-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
C#CCOc1ccc(Nc2ccc(Cl)c([O-])c2F)cc1	ZINC001214803813	1134575198	/nfs/dbraw/zinc/57/51/98/1134575198.db2.gz	HIOIBUZYQFMJEW-UHFFFAOYSA-N	-1	0	291.709	3.940	20	30		CHEDRM
COc1cc(Nc2ccc(Cl)c([O-])c2F)ccc1C#N	ZINC001214804420	1134576034	/nfs/dbraw/zinc/57/60/34/1134576034.db2.gz	RSPBSLBKZYFCTP-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccsc2C(=O)[O-])c1	ZINC001215395793	1134623458	/nfs/dbraw/zinc/62/34/58/1134623458.db2.gz	RFXDECSDMUACNZ-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(Cl)c1O	ZINC001216087160	1134772839	/nfs/dbraw/zinc/77/28/39/1134772839.db2.gz	MWMYIZTXDWTOIN-UHFFFAOYSA-N	-1	0	292.697	3.814	20	30		CHEDRM
N#Cc1c(Cl)cccc1[N-]c1nnc(-c2ccco2)o1	ZINC001216124436	1134785980	/nfs/dbraw/zinc/78/59/80/1134785980.db2.gz	XGWRWCCENTUATI-UHFFFAOYSA-N	-1	0	286.678	3.598	20	30		CHEDRM
CCOc1cc(C)cc(F)c1Nc1scc([O-])c1C#N	ZINC001216367409	1134869641	/nfs/dbraw/zinc/86/96/41/1134869641.db2.gz	KBEPNLHCUHFHRL-UHFFFAOYSA-N	-1	0	292.335	3.915	20	30		CHEDRM
Cc1ccc(C)c(Nc2cccc(C(=O)[O-])c2C)c1C#N	ZINC001216662473	1134942127	/nfs/dbraw/zinc/94/21/27/1134942127.db2.gz	CTRBGUJLLUHKPO-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
CC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2C)c(C#N)c1	ZINC001216662138	1134942329	/nfs/dbraw/zinc/94/23/29/1134942329.db2.gz	ZSYYQNCQXOSRBB-UHFFFAOYSA-N	-1	0	294.310	3.511	20	30		CHEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2C)cc1F	ZINC001216662851	1134942949	/nfs/dbraw/zinc/94/29/49/1134942949.db2.gz	JMHVQBQDNVGHMW-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1cccc(C(=O)[O-])c1C	ZINC001216662358	1134943000	/nfs/dbraw/zinc/94/30/00/1134943000.db2.gz	BERSFYAOTZBOQT-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccncc1F	ZINC001223593420	1135363620	/nfs/dbraw/zinc/36/36/20/1135363620.db2.gz	JPZRWOHMAMOSSZ-ZHNMFKIJSA-N	-1	0	294.713	3.788	20	30		CHEDRM
CCCCCCCCC[C@@H](C)OCCCS(=O)(=O)[O-]	ZINC001224898893	1135492558	/nfs/dbraw/zinc/49/25/58/1135492558.db2.gz	MHROFIFKXRUXQK-CQSZACIVSA-N	-1	0	294.457	3.810	20	30		CHEDRM
C[C@H](Oc1ccccc1[S-])c1ccccc1C#N	ZINC001225585767	1135591272	/nfs/dbraw/zinc/59/12/72/1135591272.db2.gz	BFEIZIDSGSSKNX-NSHDSACASA-N	-1	0	255.342	3.987	20	30		CHEDRM
C=CC[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001225620646	1135597925	/nfs/dbraw/zinc/59/79/25/1135597925.db2.gz	RZFPAGRMFDFJTO-CQSZACIVSA-N	-1	0	285.299	3.997	20	30		CHEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1cccc([S-])c1	ZINC001226014088	1135652385	/nfs/dbraw/zinc/65/23/85/1135652385.db2.gz	PANSRBWBDIIVHH-NSHDSACASA-N	-1	0	250.439	3.623	20	30		CHEDRM
[O-]/N=C/c1cccc(O[C@@H](c2cccnc2)C(F)(F)F)c1	ZINC001226114891	1135664360	/nfs/dbraw/zinc/66/43/60/1135664360.db2.gz	TWESPXPSYFQDAT-UJHWAJGWSA-N	-1	0	296.248	3.572	20	30		CHEDRM
C[C@@H](Oc1nc(C(C)(C)C)ccc1C#N)C1=CC=C[CH]1	ZINC001226549606	1135712039	/nfs/dbraw/zinc/71/20/39/1135712039.db2.gz	IIOCVJYWYVBMRY-GFCCVEGCSA-N	-1	0	267.352	3.719	20	30		CHEDRM
Cc1cc(C#N)cc(Cl)c1O[C@H](C)C1=CC=C[CH]1	ZINC001226595522	1135717352	/nfs/dbraw/zinc/71/73/52/1135717352.db2.gz	MOKLAWHNDOPVPC-LLVKDONJSA-N	-1	0	258.728	3.988	20	30		CHEDRM
C=CCc1c(O)ccc(C(C)=O)c1O[C@@H](C)C1=CC=C[CH]1	ZINC001227120691	1135788543	/nfs/dbraw/zinc/78/85/43/1135788543.db2.gz	QNMMXUDCZUIDQF-ZDUSSCGKSA-N	-1	0	283.347	3.791	20	30		CHEDRM
C=C(C)C[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C(=C)C	ZINC001227605251	1135849753	/nfs/dbraw/zinc/84/97/53/1135849753.db2.gz	HBEJEYMGBBFROU-MRVPVSSYSA-N	-1	0	289.162	3.779	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1	ZINC000187443566	262647942	/nfs/dbraw/zinc/64/79/42/262647942.db2.gz	RUPTVYFAABQPAL-LLVKDONJSA-N	-1	0	274.345	3.658	20	30		CHEDRM
CC(C)(CCC#N)CNC(=O)c1cc(O)c2ccccc2c1	ZINC000356479836	266123258	/nfs/dbraw/zinc/12/32/58/266123258.db2.gz	QIQKJBDYRMPNHD-UHFFFAOYSA-N	-1	0	296.370	3.605	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)o1	ZINC000361524738	266839852	/nfs/dbraw/zinc/83/98/52/266839852.db2.gz	LUCVDFKUQRFXNX-CQSZACIVSA-N	-1	0	276.295	3.626	20	30		CHEDRM
C=CCCc1ccccc1NC1CCC(C(=O)[O-])CC1	ZINC000414643780	328207073	/nfs/dbraw/zinc/20/70/73/328207073.db2.gz	YFYMZERLBPWUGT-UHFFFAOYSA-N	-1	0	273.376	3.861	20	30		CHEDRM
Cc1ccc(-c2ccccc2CC2(C(=O)[O-])CC2)c(C#N)c1	ZINC000583511260	328588898	/nfs/dbraw/zinc/58/88/98/328588898.db2.gz	VXMDYLIXHFBGJN-UHFFFAOYSA-N	-1	0	291.350	3.941	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2cccc(C(F)F)c2)n1	ZINC000171565208	329077408	/nfs/dbraw/zinc/07/74/08/329077408.db2.gz	DLMRTYPJHHZASZ-NSHDSACASA-N	-1	0	292.310	3.879	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000263176889	330047438	/nfs/dbraw/zinc/04/74/38/330047438.db2.gz	GUMHRIDJJVSSSO-GFCCVEGCSA-N	-1	0	287.359	3.582	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)oc3ccccc32)n1	ZINC000186186627	333156518	/nfs/dbraw/zinc/15/65/18/333156518.db2.gz	NVBSMRHCOMCWBH-LBPRGKRZSA-N	-1	0	296.351	3.996	20	30		CHEDRM
CC(C)(C)c1[n-]n(CC2=CCCCC2)c(=O)c1CCC#N	ZINC000577120556	335303754	/nfs/dbraw/zinc/30/37/54/335303754.db2.gz	YOZGRBPLPKGKHK-UHFFFAOYSA-N	-1	0	287.407	3.843	20	30		CHEDRM
C[C@@H](Sc1nc(C2CC2)cc(=O)[nH]1)c1ccc(C#N)cc1	ZINC000195085646	336044913	/nfs/dbraw/zinc/04/49/13/336044913.db2.gz	YLYAPLLOHZUADW-SNVBAGLBSA-N	-1	0	297.383	3.785	20	30		CHEDRM
Cc1cc(F)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000731317590	599968770	/nfs/dbraw/zinc/96/87/70/599968770.db2.gz	AXOQJTURWASSLM-RUDMXATFSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(C)(C(=O)[O-])c1ccc(NCc2ccc(C#N)cc2)cc1	ZINC000736232105	600680654	/nfs/dbraw/zinc/68/06/54/600680654.db2.gz	DTLCUJALVRKVOV-UHFFFAOYSA-N	-1	0	294.354	3.533	20	30		CHEDRM
C=CCCCOc1c(C(=O)[O-])ccc2ccccc21	ZINC000071273952	600709408	/nfs/dbraw/zinc/70/94/08/600709408.db2.gz	OTRYDWFKDWZRNF-UHFFFAOYSA-N	-1	0	256.301	3.883	20	30		CHEDRM
C[C@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827773264	600742906	/nfs/dbraw/zinc/74/29/06/600742906.db2.gz	FWOKABJJEUJYQY-LBPRGKRZSA-N	-1	0	295.342	3.846	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000829566064	601330346	/nfs/dbraw/zinc/33/03/46/601330346.db2.gz	BRAAKUIGHHXPSO-LUAWRHEFSA-N	-1	0	283.327	3.562	20	30		CHEDRM
Cc1c2ccccc2oc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1	ZINC000832849129	601330691	/nfs/dbraw/zinc/33/06/91/601330691.db2.gz	YGNZUNNNVNHPAZ-VQHVLOKHSA-N	-1	0	295.294	3.664	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1C	ZINC000832876232	601330860	/nfs/dbraw/zinc/33/08/60/601330860.db2.gz	WPUMWXNPEOIKSZ-ALCCZGGFSA-N	-1	0	283.327	3.534	20	30		CHEDRM
C=CCCCSCc1ccc(C(=O)[O-])c(F)c1	ZINC000825671272	601813039	/nfs/dbraw/zinc/81/30/39/601813039.db2.gz	KBQYEMYFEHCEJB-UHFFFAOYSA-N	-1	0	254.326	3.723	20	30		CHEDRM
N#Cc1ccc(OCc2ccsc2C(=O)[O-])c(Cl)c1	ZINC000110952930	601890599	/nfs/dbraw/zinc/89/05/99/601890599.db2.gz	CMJJUPFWMSMNNV-UHFFFAOYSA-N	-1	0	293.731	3.550	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1	ZINC000833309528	604628188	/nfs/dbraw/zinc/62/81/88/604628188.db2.gz	AEWKARJMDKIVLI-VMPITWQZSA-N	-1	0	288.249	3.559	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1	ZINC000833309855	604630877	/nfs/dbraw/zinc/63/08/77/604630877.db2.gz	HENJRMYNISVDPD-CMDGGOBGSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(N=Nc1ccc(F)cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814693376	604633084	/nfs/dbraw/zinc/63/30/84/604633084.db2.gz	MBXIXEAABYFWAP-LLVKDONJSA-N	-1	0	280.343	3.895	20	30		CHEDRM
CC(N=Nc1ncccc1Cl)[C@H](C)CCCCC(=O)[O-]	ZINC000814810675	604637766	/nfs/dbraw/zinc/63/77/66/604637766.db2.gz	SJNUOAJALDPRAG-SNVBAGLBSA-N	-1	0	297.786	3.804	20	30		CHEDRM
CC(=NNc1cc(C)ccc1F)c1ccc(C(=O)[O-])cc1	ZINC000759653442	604639509	/nfs/dbraw/zinc/63/95/09/604639509.db2.gz	QKYMBQOWIQJOSN-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
C=C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000190599407	604664532	/nfs/dbraw/zinc/66/45/32/604664532.db2.gz	NZWDUQRJEWRLRV-CYBMUJFWSA-N	-1	0	295.338	3.683	20	30		CHEDRM
N#Cc1c(Cl)cccc1SCc1ccoc1C(=O)[O-]	ZINC000833761345	604845349	/nfs/dbraw/zinc/84/53/49/604845349.db2.gz	WGGZXKOQZJKDQS-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
C=CCCC[C@H](C)OC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833373924	605021824	/nfs/dbraw/zinc/02/18/24/605021824.db2.gz	JCMKZPYEPWZSAF-NSHDSACASA-N	-1	0	277.320	3.678	20	30		CHEDRM
C[C@H]1CCC[C@@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000768353919	605098504	/nfs/dbraw/zinc/09/85/04/605098504.db2.gz	CEVBGWJMHCYNBF-NWDGAFQWSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C[C@@H](CN=Nc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000756876412	605099507	/nfs/dbraw/zinc/09/95/07/605099507.db2.gz	NXURDRDVXPRCBR-NSHDSACASA-N	-1	0	286.306	3.725	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(C)o1	ZINC000833386661	605155871	/nfs/dbraw/zinc/15/58/71/605155871.db2.gz	QITQMDBRPUSRSG-UHFFFAOYSA-N	-1	0	292.722	3.776	20	30		CHEDRM
C[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000833524355	605205878	/nfs/dbraw/zinc/20/58/78/605205878.db2.gz	FCGQXEJZAUAWAQ-LLVKDONJSA-N	-1	0	281.315	3.821	20	30		CHEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000783817356	605329137	/nfs/dbraw/zinc/32/91/37/605329137.db2.gz	SEIWQYPPGRDFND-NEPJUHHUSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CC1(CN=Nc2ccc(C(=O)[O-])cn2)CCCCCC1	ZINC000779781016	605579756	/nfs/dbraw/zinc/57/97/56/605579756.db2.gz	BODJXQPKRMBLSL-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
N#Cc1ccccc1-c1ccc(CSCC(=O)[O-])cc1	ZINC001594628796	956335600	/nfs/dbraw/zinc/33/56/00/956335600.db2.gz	PSFUVHQJSJAAHA-UHFFFAOYSA-N	-1	0	283.352	3.543	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588439179	958312758	/nfs/dbraw/zinc/31/27/58/958312758.db2.gz	IMXMTEJGFCNHDV-UHFFFAOYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
CCCCCCCCCC(=O)Nc1ccc(C(=O)[O-])nc1	ZINC000128082020	958632566	/nfs/dbraw/zinc/63/25/66/958632566.db2.gz	HHKHRLWRILDFNF-UHFFFAOYSA-N	-1	0	292.379	3.859	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1	ZINC000211154914	959678547	/nfs/dbraw/zinc/67/85/47/959678547.db2.gz	DPBKQBSZCOOPBB-BAQGIRSFSA-N	-1	0	288.249	3.559	20	30		CHEDRM
C#CCCCCCCSc1nc(C(=O)[O-])cs1	ZINC001573302435	962653200	/nfs/dbraw/zinc/65/32/00/962653200.db2.gz	VWGJRWGEJCJCCX-UHFFFAOYSA-N	-1	0	269.391	3.517	20	30		CHEDRM
C=CC(C)(C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001573346680	962941925	/nfs/dbraw/zinc/94/19/25/962941925.db2.gz	GFEVSIQGBRYDRL-UHFFFAOYSA-N	-1	0	283.327	3.689	20	30		CHEDRM
C=CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001573347756	962951243	/nfs/dbraw/zinc/95/12/43/962951243.db2.gz	NKTBVYALMHSNFY-UHFFFAOYSA-N	-1	0	283.327	3.689	20	30		CHEDRM
CCCCCCCCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001603640406	973982019	/nfs/dbraw/zinc/98/20/19/973982019.db2.gz	FSPDYZIAOBXZLN-LSDHHAIUSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCC1	ZINC000630236908	975182954	/nfs/dbraw/zinc/18/29/54/975182954.db2.gz	XJTVOXMNTZOVCM-UHFFFAOYSA-N	-1	0	298.342	3.551	20	30		CHEDRM
CC(CC(C)(C)CC(=O)[O-])=NOCc1ccc(F)cc1	ZINC001592444007	978100125	/nfs/dbraw/zinc/10/01/25/978100125.db2.gz	HYOUTSQGUHOUAQ-UHFFFAOYSA-N	-1	0	281.327	3.609	20	30		CHEDRM
C[C@@H](CCN=Nc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC001592470257	978219914	/nfs/dbraw/zinc/21/99/14/978219914.db2.gz	GGQYHIXMSBIPNM-ZETCQYMHSA-N	-1	0	275.135	3.502	20	30		CHEDRM
CC(CCc1ccco1)N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001592552023	978436460	/nfs/dbraw/zinc/43/64/60/978436460.db2.gz	INEXAINLIGBDHD-UHFFFAOYSA-N	-1	0	290.294	3.538	20	30		CHEDRM
Cc1cc(F)ccc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000774138717	978746979	/nfs/dbraw/zinc/74/69/79/978746979.db2.gz	MNOLXVVMNJLLHL-VMPITWQZSA-N	-1	0	284.286	3.728	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2csc(Cl)c2)c1	ZINC000787186139	978796003	/nfs/dbraw/zinc/79/60/03/978796003.db2.gz	MBLLGPXZPUFULI-PLNGDYQASA-N	-1	0	292.743	3.996	20	30		CHEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C/c1cccc(C(=O)[O-])c1	ZINC000809155666	978853554	/nfs/dbraw/zinc/85/35/54/978853554.db2.gz	CSYRWNLZUSPCDM-HPUUJOOBSA-N	-1	0	278.307	3.768	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(Cl)c(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814862758	978894741	/nfs/dbraw/zinc/89/47/41/978894741.db2.gz	QQKBXTZDWKMHOZ-IUCAKERBSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CC(=NOC1CCCCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814910098	978898112	/nfs/dbraw/zinc/89/81/12/978898112.db2.gz	QHEIRWNYTXJKMH-LBPRGKRZSA-N	-1	0	269.385	3.993	20	30		CHEDRM
CC(=NNC1CCCCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814909308	978898115	/nfs/dbraw/zinc/89/81/15/978898115.db2.gz	KGTROSMJCKORMP-GFCCVEGCSA-N	-1	0	268.401	3.566	20	30		CHEDRM
CCc1cccc(C)c1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814923295	978898707	/nfs/dbraw/zinc/89/87/07/978898707.db2.gz	ONSDONBSIDEGBW-GXTWGEPZSA-N	-1	0	288.391	3.846	20	30		CHEDRM
CN(Cc1ccc(NCC(C)(C)CCC#N)cc1)C(=O)[O-]	ZINC000830835101	979022437	/nfs/dbraw/zinc/02/24/37/979022437.db2.gz	BIGWGJJKWSWFMM-UHFFFAOYSA-N	-1	0	289.379	3.538	20	30		CHEDRM
CCCC(N=Nc1ccc(C(=O)[O-])cn1)C1CCCC1	ZINC000834966834	979242256	/nfs/dbraw/zinc/24/22/56/979242256.db2.gz	PADOSURTYKYYNQ-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
CC[C@@H]1CCCC1N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001595435544	981065703	/nfs/dbraw/zinc/06/57/03/981065703.db2.gz	LCTVHMBNZXECTE-SECBINFHSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CCCCCCCOc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001595704328	982273616	/nfs/dbraw/zinc/27/36/16/982273616.db2.gz	FTHFIVRFRNZMSN-UHFFFAOYSA-N	-1	0	294.347	3.521	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001595705050	982281769	/nfs/dbraw/zinc/28/17/69/982281769.db2.gz	OVLWSEINKILLMR-DZGCQCFKSA-N	-1	0	295.423	3.663	20	30		CHEDRM
CCCCCCCCC/C=C\C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001595705364	982284376	/nfs/dbraw/zinc/28/43/76/982284376.db2.gz	XYDXHZSWDATIHN-WOLCWHLNSA-N	-1	0	295.423	3.616	20	30		CHEDRM
CCCCCCCOc1ccc(N(C)C)c(C(=O)[O-])c1	ZINC001595708696	982285427	/nfs/dbraw/zinc/28/54/27/982285427.db2.gz	BPMZQDFCPNSJJX-UHFFFAOYSA-N	-1	0	279.380	3.800	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/Cc3c(cccc3Cl)C2=O)cc1	ZINC000921263662	982696930	/nfs/dbraw/zinc/69/69/30/982696930.db2.gz	IJAFHTMJSARFRE-WQLSENKSSA-N	-1	0	298.725	3.861	20	30		CHEDRM
C=C(C)C[C@@H](NC(=O)C1CCC(CCCC)CC1)C(=O)[O-]	ZINC001588537729	983601744	/nfs/dbraw/zinc/60/17/44/983601744.db2.gz	WWKHZYFWYFTCBQ-YMAMQOFZSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C(C)CCNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC001588561667	983642809	/nfs/dbraw/zinc/64/28/09/983642809.db2.gz	UJIDGIRBWZADRD-UHFFFAOYSA-N	-1	0	285.343	3.681	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1	ZINC001588612844	983704150	/nfs/dbraw/zinc/70/41/50/983704150.db2.gz	YLOOFOOHJAEMOQ-DZGCQCFKSA-N	-1	0	295.423	3.615	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588672855	983826917	/nfs/dbraw/zinc/82/69/17/983826917.db2.gz	AIFIBGXDTMRTLE-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1	ZINC001588682306	983843747	/nfs/dbraw/zinc/84/37/47/983843747.db2.gz	LFFKTLSWCDQFJZ-AWEZNQCLSA-N	-1	0	296.392	3.506	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1	ZINC001588682837	983845938	/nfs/dbraw/zinc/84/59/38/983845938.db2.gz	QZYHTMHPHPBAHB-KRWDZBQOSA-N	-1	0	290.359	3.557	20	30		CHEDRM
C=CC[C@H](C(=O)[O-])N1CCc2c1cccc2-c1ccccc1	ZINC001588731581	984009636	/nfs/dbraw/zinc/00/96/36/984009636.db2.gz	KRRMCEGTQGRPIB-GOSISDBHSA-N	-1	0	293.366	3.745	20	30		CHEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588736212	984023524	/nfs/dbraw/zinc/02/35/24/984023524.db2.gz	UTVKXKVYYBEMRU-NSHDSACASA-N	-1	0	298.342	3.624	20	30		CHEDRM
C=CCC1(C(=O)NCC(CC)(CC)C(=O)[O-])CCCCC1	ZINC001588763701	984120735	/nfs/dbraw/zinc/12/07/35/984120735.db2.gz	WRPMSEUJOULJIO-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
C=CC[C@H]1CCC(N=Nc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001588771014	984137423	/nfs/dbraw/zinc/13/74/23/984137423.db2.gz	LHFQUTNZCDEINJ-JTQLQIEISA-N	-1	0	276.311	3.668	20	30		CHEDRM
C=CCCCNc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001588803988	984252816	/nfs/dbraw/zinc/25/28/16/984252816.db2.gz	SABBKURNZIVVKO-UHFFFAOYSA-N	-1	0	257.692	3.555	20	30		CHEDRM
C=CCN(Cc1csc(C(=O)[O-])c1)c1ccccc1	ZINC001588831914	984318633	/nfs/dbraw/zinc/31/86/33/984318633.db2.gz	XWTLZFKACTUUBX-UHFFFAOYSA-N	-1	0	273.357	3.639	20	30		CHEDRM
CCC(=NNc1ccc(CC(=O)[O-])cc1)c1cccs1	ZINC001594693949	987105131	/nfs/dbraw/zinc/10/51/31/987105131.db2.gz	IYQCUBOBMBNABV-UHFFFAOYSA-N	-1	0	288.372	3.601	20	30		CHEDRM
C[C@@H](C(=O)[O-])c1cccc(Nc2cccc(F)c2C#N)c1	ZINC001589539757	987237431	/nfs/dbraw/zinc/23/74/31/987237431.db2.gz	KOUWETJVTXLUEJ-SNVBAGLBSA-N	-1	0	284.290	3.629	20	30		CHEDRM
CC(C)(C#N)CCCNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001589554912	987305070	/nfs/dbraw/zinc/30/50/70/987305070.db2.gz	VQLNIPRSOMMZLL-LSDHHAIUSA-N	-1	0	286.375	3.617	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC001597519801	988141347	/nfs/dbraw/zinc/14/13/47/988141347.db2.gz	BKLVXELUUYJSRX-FPLPWBNLSA-N	-1	0	286.352	3.905	20	30		CHEDRM
CSc1ccc(NCC#Cc2ccccc2)cc1C(=O)[O-]	ZINC001599821027	988513112	/nfs/dbraw/zinc/51/31/12/988513112.db2.gz	VJTDGAMVGLEOPF-UHFFFAOYSA-N	-1	0	297.379	3.570	20	30		CHEDRM
CC(C)C(C)(C)S[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590968597	991091149	/nfs/dbraw/zinc/09/11/49/991091149.db2.gz	RDGLZYKBNOWGRQ-ZDUSSCGKSA-N	-1	0	277.389	3.852	20	30		CHEDRM
CC1(C)C/C(=C/c2cc(C(=O)[O-])co2)C(=O)c2ccccc21	ZINC001593842371	996603263	/nfs/dbraw/zinc/60/32/63/996603263.db2.gz	KEDILBPVSSOBNS-XFFZJAGNSA-N	-1	0	296.322	3.925	20	30		CHEDRM
CC1(C)CCCC[C@H]1NN=C1CCC(CC(=O)[O-])CC1	ZINC001593903741	996776164	/nfs/dbraw/zinc/77/61/64/996776164.db2.gz	KMHLDHPTMGUQAA-TYZXPVIJSA-N	-1	0	280.412	3.566	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1CSCCC(C)(C)C#N	ZINC001599499382	997085800	/nfs/dbraw/zinc/08/58/00/997085800.db2.gz	FTWHRARUMJCQIS-UHFFFAOYSA-N	-1	0	293.388	3.566	20	30		CHEDRM
C=CCOC(=O)[C@@H](Nc1cc(F)ccc1[S-])[C@@H](C)CC	ZINC001167957106	1122426240	/nfs/dbraw/zinc/42/62/40/1122426240.db2.gz	CGJNAHORDZUNAP-HZMBPMFUSA-N	-1	0	297.395	3.670	20	30		CHEDRM
N#CCCc1cccc(-c2ccsc2C(=O)[O-])c1	ZINC001205572798	1122622602	/nfs/dbraw/zinc/62/26/02/1122622602.db2.gz	OFSAZYZXEOIRPB-UHFFFAOYSA-N	-1	0	257.314	3.569	20	30		CHEDRM
N#Cc1ccsc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211958503	1125521120	/nfs/dbraw/zinc/52/11/20/1125521120.db2.gz	UQVPYTWOMDHJAF-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)s1	ZINC001211962392	1125527011	/nfs/dbraw/zinc/52/70/11/1125527011.db2.gz	BLQYDEXVJGEYRV-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000093396134	1125535972	/nfs/dbraw/zinc/53/59/72/1125535972.db2.gz	JNEKNJXDMZSKLN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1c([O-])cccc1F	ZINC000886638381	1125700457	/nfs/dbraw/zinc/70/04/57/1125700457.db2.gz	SEMMYWJSBWNBIU-GFCCVEGCSA-N	-1	0	276.355	3.656	20	30		CHEDRM
O=C(/C=C/c1cccnc1Cl)c1cc(F)cc(F)c1[O-]	ZINC000757471466	1125766273	/nfs/dbraw/zinc/76/62/73/1125766273.db2.gz	CSSBREFHIVOPSX-ONEGZZNKSA-N	-1	0	295.672	3.615	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)C(C)(C)CCC(=O)[O-])c1	ZINC000899855408	1126705097	/nfs/dbraw/zinc/70/50/97/1126705097.db2.gz	WHDNQYLKHDFFKT-UHFFFAOYSA-N	-1	0	275.348	3.549	20	30		CHEDRM
Cc1ccc(NN=Cc2cc(Cl)c([O-])cc2Cl)nc1	ZINC000758120667	1126805657	/nfs/dbraw/zinc/80/56/57/1126805657.db2.gz	PGLSZRKSIVGULR-UHFFFAOYSA-N	-1	0	296.157	3.848	20	30		CHEDRM
CC(C)OCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000182166566	1126867236	/nfs/dbraw/zinc/86/72/36/1126867236.db2.gz	AEXXBJVBPBVJIV-VIZOYTHASA-N	-1	0	276.163	3.543	20	30		CHEDRM
Cc1cc(C2OCCO2)c(C)cc1-c1ccc(O)c(C#N)c1	ZINC000904795705	1126875710	/nfs/dbraw/zinc/87/57/10/1126875710.db2.gz	WLDCUBAUWDSMCK-UHFFFAOYSA-N	-1	0	295.338	3.593	20	30		CHEDRM
C=C1CCC(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CC1	ZINC000909831675	1127039755	/nfs/dbraw/zinc/03/97/55/1127039755.db2.gz	QHBKKSFOOILDAU-GFCCVEGCSA-N	-1	0	287.359	3.560	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCC1	ZINC000911387277	1127080771	/nfs/dbraw/zinc/08/07/71/1127080771.db2.gz	OLPWYTGWPPWFDL-UHFFFAOYSA-N	-1	0	298.342	3.551	20	30		CHEDRM
O=C(/C=C/c1coc(-c2ccccc2)n1)c1ccccc1[O-]	ZINC000156595942	1127159806	/nfs/dbraw/zinc/15/98/06/1127159806.db2.gz	KSAOMZCBWCHTQY-ZHACJKMWSA-N	-1	0	291.306	3.943	20	30		CHEDRM
N#CCCCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000588774856	1127194797	/nfs/dbraw/zinc/19/47/97/1127194797.db2.gz	KEBHNWWNKOYFBB-UHFFFAOYSA-N	-1	0	284.718	3.597	20	30		CHEDRM
C[C@@H](CCCC(F)(F)F)Nc1nc(C#N)c(Cl)s1	ZINC000596209931	1127485903	/nfs/dbraw/zinc/48/59/03/1127485903.db2.gz	JSPFQEAKOOZLES-LURJTMIESA-N	-1	0	297.733	3.623	20	30		CHEDRM
CCCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@@H]1CC	ZINC000601947153	1127553617	/nfs/dbraw/zinc/55/36/17/1127553617.db2.gz	FRLCMYCFGBKVSN-GFCCVEGCSA-N	-1	0	289.766	3.741	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)o1	ZINC000361524737	1127569839	/nfs/dbraw/zinc/56/98/39/1127569839.db2.gz	LUCVDFKUQRFXNX-AWEZNQCLSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CC(C)OCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000060803476	1127587968	/nfs/dbraw/zinc/58/79/68/1127587968.db2.gz	WQSHJUUNKMRORV-LZYBPNLTSA-N	-1	0	290.190	3.933	20	30		CHEDRM
CCCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)s1	ZINC000598698202	1127633204	/nfs/dbraw/zinc/63/32/04/1127633204.db2.gz	QAAVFMHSCIJGNI-CSKARUKUSA-N	-1	0	299.399	3.525	20	30		CHEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC001120813247	1127882188	/nfs/dbraw/zinc/88/21/88/1127882188.db2.gz	AGONLRXXYNAXPH-LLVKDONJSA-N	-1	0	297.757	3.756	20	30		CHEDRM
CCc1ccc(CC)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000443325889	1127976829	/nfs/dbraw/zinc/97/68/29/1127976829.db2.gz	ZAYQOOPCTLSLIW-UHFFFAOYSA-N	-1	0	294.354	3.641	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c(C)c1	ZINC000915106952	1128283710	/nfs/dbraw/zinc/28/37/10/1128283710.db2.gz	XVJFSWMCLKUIEG-KTKRTIGZSA-N	-1	0	294.350	3.827	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C)c(C)c1	ZINC000916255347	1128412421	/nfs/dbraw/zinc/41/24/21/1128412421.db2.gz	UERROMGEKTTXAS-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
CS[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000901249251	1128534018	/nfs/dbraw/zinc/53/40/18/1128534018.db2.gz	VUADEJINUCCPBW-NSHDSACASA-N	-1	0	296.367	3.597	20	30		CHEDRM
N#CC(=C([O-])C=C1CCCC1)c1nc2ccccc2s1	ZINC000918484298	1128548411	/nfs/dbraw/zinc/54/84/11/1128548411.db2.gz	XAAMEXUOPXHYSV-LBPRGKRZSA-N	-1	0	282.368	3.973	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1CCCC1	ZINC000920105786	1128664601	/nfs/dbraw/zinc/66/46/01/1128664601.db2.gz	MAKCALBAKYCYMR-CQSZACIVSA-N	-1	0	294.354	3.558	20	30		CHEDRM
Cc1ccc2c(c1)CC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920177937	1128670484	/nfs/dbraw/zinc/67/04/84/1128670484.db2.gz	MLDVKUPLXHVCLC-HKJBKDEOSA-N	-1	0	296.326	3.715	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(Cl)ccc2F)c1	ZINC000920945162	1128696429	/nfs/dbraw/zinc/69/64/29/1128696429.db2.gz	RDLPZGCTDCQOTP-UHFFFAOYSA-N	-1	0	294.669	3.844	20	30		CHEDRM
COc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1	ZINC000175315915	1128723834	/nfs/dbraw/zinc/72/38/34/1128723834.db2.gz	CJFBSZMESNTPHJ-FARCUNLSSA-N	-1	0	290.265	3.575	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000048855083	1128732354	/nfs/dbraw/zinc/73/23/54/1128732354.db2.gz	KBPJMCUUYSMSSH-ZDUSSCGKSA-N	-1	0	276.295	3.626	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1cc(F)c([O-])cc1F	ZINC001206768788	1117835464	/nfs/dbraw/zinc/83/54/64/1117835464.db2.gz	ZPEVJKYFPCJHMW-UHFFFAOYSA-N	-1	0	261.271	3.769	20	30		CHEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)cc1	ZINC000073087219	1117879879	/nfs/dbraw/zinc/87/98/79/1117879879.db2.gz	KNPFPFMNQTWURA-LBPRGKRZSA-N	-1	0	297.420	3.576	20	30		CHEDRM
Cc1ccc(N(CCC#N)C(=O)c2ccc(C)cc2O)cc1	ZINC000179484180	1128744114	/nfs/dbraw/zinc/74/41/14/1128744114.db2.gz	MFNKZIXQHXOFMZ-UHFFFAOYSA-N	-1	0	294.354	3.570	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cccc(F)c1F	ZINC000588386938	1118493124	/nfs/dbraw/zinc/49/31/24/1118493124.db2.gz	SGEXJYMJBFAHMV-PLNGDYQASA-N	-1	0	296.219	3.845	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2cc(F)c([O-])cc2F)[nH]1	ZINC001211350891	1118506538	/nfs/dbraw/zinc/50/65/38/1118506538.db2.gz	XIXWOKYNKOJNBZ-UHFFFAOYSA-N	-1	0	270.238	3.690	20	30		CHEDRM
CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000076755602	1128787541	/nfs/dbraw/zinc/78/75/41/1128787541.db2.gz	KRKQSTRCTGKADJ-ZDUSSCGKSA-N	-1	0	297.420	3.938	20	30		CHEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CCC)cc1	ZINC000076762625	1128788387	/nfs/dbraw/zinc/78/83/87/1128788387.db2.gz	UYWUVFCHDPRFBN-GFCCVEGCSA-N	-1	0	297.420	3.721	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000255330623	1118641568	/nfs/dbraw/zinc/64/15/68/1118641568.db2.gz	FZIXUHLUYCVYOS-VURMDHGXSA-N	-1	0	283.283	3.505	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccco2)s1	ZINC000430631619	1118658378	/nfs/dbraw/zinc/65/83/78/1118658378.db2.gz	VMCRAMCGNQKXBJ-SECBINFHSA-N	-1	0	274.345	3.524	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000255398207	1118836496	/nfs/dbraw/zinc/83/64/96/1118836496.db2.gz	MRMIGGVXJZBJNR-UTCJRWHESA-N	-1	0	289.312	3.566	20	30		CHEDRM
COc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000588480248	1118910998	/nfs/dbraw/zinc/91/09/98/1118910998.db2.gz	FWGUCQPHMOGYBE-YWEYNIOJSA-N	-1	0	288.730	3.950	20	30		CHEDRM
C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000255426985	1118911745	/nfs/dbraw/zinc/91/17/45/1118911745.db2.gz	KHQRQSDKEJJNGW-ZWXCPPHNSA-N	-1	0	293.322	3.579	20	30		CHEDRM
COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1C	ZINC000728438211	1118944715	/nfs/dbraw/zinc/94/47/15/1118944715.db2.gz	CBBRJMZCGZIQSL-UTCJRWHESA-N	-1	0	286.302	3.744	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(F)c2ccoc21	ZINC001216296700	1118965920	/nfs/dbraw/zinc/96/59/20/1118965920.db2.gz	UVOIJVWRFLDZNF-UHFFFAOYSA-N	-1	0	274.276	3.954	20	30		CHEDRM
O=C(C=Cc1ccc(F)c(F)c1)c1sccc1[O-]	ZINC000588495744	1118990626	/nfs/dbraw/zinc/99/06/26/1118990626.db2.gz	JRLOZDQIVGAOJP-RQOWECAXSA-N	-1	0	266.268	3.628	20	30		CHEDRM
COc1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1F	ZINC000799891296	1119154674	/nfs/dbraw/zinc/15/46/74/1119154674.db2.gz	CHYSEQKKLFSFQO-ALCCZGGFSA-N	-1	0	290.265	3.575	20	30		CHEDRM
O=C(/C=C\c1ccc(F)c(F)c1)c1ccc([O-])c(F)c1	ZINC000255627304	1119655614	/nfs/dbraw/zinc/65/56/14/1119655614.db2.gz	CSUDVFVSIDYGSE-DJWKRKHSSA-N	-1	0	278.229	3.706	20	30		CHEDRM
CCOc1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000782352057	1119749733	/nfs/dbraw/zinc/74/97/33/1119749733.db2.gz	PXCBDNFEYUJATB-HYXAFXHYSA-N	-1	0	292.331	3.888	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccnc2Cl)c([O-])c1	ZINC000255833880	1119751529	/nfs/dbraw/zinc/75/15/29/1119751529.db2.gz	TVSZIGBOGPTREF-ALCCZGGFSA-N	-1	0	273.719	3.645	20	30		CHEDRM
Cc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000122226586	1120073508	/nfs/dbraw/zinc/07/35/08/1120073508.db2.gz	UTOZQMHPPBGMMH-XBLUXWHVSA-N	-1	0	290.344	3.850	20	30		CHEDRM
N#Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1	ZINC000011372380	1120449058	/nfs/dbraw/zinc/44/90/58/1120449058.db2.gz	LXNGRIJPRLEEEO-UHFFFAOYSA-N	-1	0	288.306	3.669	20	30		CHEDRM
C[C@@H]1CC(C)(C)CC1N=Nc1cccc(C(=O)[O-])c1	ZINC000765992576	1120547823	/nfs/dbraw/zinc/54/78/23/1120547823.db2.gz	LPVARRNZLSPGPH-SNVBAGLBSA-N	-1	0	260.337	3.609	20	30		CHEDRM
Cc1cc(Nc2ccc(F)c(CC#N)c2)ccc1C(=O)[O-]	ZINC001211663701	1120708284	/nfs/dbraw/zinc/70/82/84/1120708284.db2.gz	WXRBDVQEYWOBHS-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
CSc1cc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000663358256	1120946448	/nfs/dbraw/zinc/94/64/48/1120946448.db2.gz	APYMPIAMCAYSIP-VIFPVBQESA-N	-1	0	292.385	3.565	20	30		CHEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C	ZINC000078701092	1128957059	/nfs/dbraw/zinc/95/70/59/1128957059.db2.gz	AUZZCSUUEOHMSL-UHFFFAOYSA-N	-1	0	295.404	3.532	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc2ncccc21	ZINC001174906295	1121086362	/nfs/dbraw/zinc/08/63/62/1121086362.db2.gz	ISUXXJORYRYEHS-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(C(=O)[O-])ccc2C)s1	ZINC001174981667	1121140360	/nfs/dbraw/zinc/14/03/60/1121140360.db2.gz	NGWIERCXENLOHT-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
CCOc1ccc(F)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001175083258	1121176218	/nfs/dbraw/zinc/17/62/18/1121176218.db2.gz	IBROZMILPDELGK-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2ncccc2c1	ZINC001175375526	1121304353	/nfs/dbraw/zinc/30/43/53/1121304353.db2.gz	KOMWEUCHUNEILM-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
CCc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175554844	1121385342	/nfs/dbraw/zinc/38/53/42/1121385342.db2.gz	MKAOCUPAPTXSJU-UHFFFAOYSA-N	-1	0	256.280	3.709	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595172	1121650141	/nfs/dbraw/zinc/65/01/41/1121650141.db2.gz	JRZVBCRFQVTECO-RMKNXTFCSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#CCc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176595249	1121650467	/nfs/dbraw/zinc/65/04/67/1121650467.db2.gz	GXSVTRGJJZYMKV-RMKNXTFCSA-N	-1	0	278.311	3.594	20	30		CHEDRM
Cc1csc(Nc2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001176662746	1121679028	/nfs/dbraw/zinc/67/90/28/1121679028.db2.gz	WBTOLVGZVMHKIB-UHFFFAOYSA-N	-1	0	284.262	3.795	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)cc2)c([O-])cc1F	ZINC001176729520	1121682145	/nfs/dbraw/zinc/68/21/45/1121682145.db2.gz	GEQHJBGBQYJHOG-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
CC(=NNC1CCCC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727651474	1121729411	/nfs/dbraw/zinc/72/94/11/1121729411.db2.gz	ACCCMRKGJRERMK-UHFFFAOYSA-N	-1	0	287.190	3.955	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)ccc1F	ZINC000729150421	1121760712	/nfs/dbraw/zinc/76/07/12/1121760712.db2.gz	NPUFUGCZRWXVIN-UITAMQMPSA-N	-1	0	298.313	3.657	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1C	ZINC000730149194	1121795647	/nfs/dbraw/zinc/79/56/47/1121795647.db2.gz	CSHSERWXTIIZLL-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000730435778	1121809294	/nfs/dbraw/zinc/80/92/94/1121809294.db2.gz	BQYZHDPXQDWKJM-XQRVVYSFSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CCCNC(=S)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000730954978	1121838613	/nfs/dbraw/zinc/83/86/13/1121838613.db2.gz	QLLGTDYSYFUDBJ-LLVKDONJSA-N	-1	0	293.461	3.635	20	30		CHEDRM
C[C@H](CC#N)Sc1ccccc1[N-]C(=S)NC1CC1	ZINC000731322071	1121860792	/nfs/dbraw/zinc/86/07/92/1121860792.db2.gz	UCCFWLWMGXEKSX-SNVBAGLBSA-N	-1	0	291.445	3.530	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1F	ZINC000731489682	1121871049	/nfs/dbraw/zinc/87/10/49/1121871049.db2.gz	JHLDYZCMQKROLI-RMKNXTFCSA-N	-1	0	298.313	3.657	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1)C2	ZINC000774140834	1122129913	/nfs/dbraw/zinc/12/99/13/1122129913.db2.gz	VFRUXHMFCNXTPF-OQLLNIDSSA-N	-1	0	278.307	3.516	20	30		CHEDRM
CCCCCCCCS(=O)(=O)[N-]c1ccccc1C#N	ZINC001188013382	1122452318	/nfs/dbraw/zinc/45/23/18/1122452318.db2.gz	VYRLFAWEURGTSM-UHFFFAOYSA-N	-1	0	294.420	3.660	20	30		CHEDRM
CCCc1cc(=O)[nH]c(C(=Cc2cccc(C#N)c2)CC)n1	ZINC000435336874	1122459530	/nfs/dbraw/zinc/45/95/30/1122459530.db2.gz	RMEPRPURFQCTCB-GDNBJRDFSA-N	-1	0	293.370	3.957	20	30		CHEDRM
C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2[CH]CC=C2)c1	ZINC001189285204	1122493672	/nfs/dbraw/zinc/49/36/72/1122493672.db2.gz	KYCHJWBEFLIQAP-MRXNPFEDSA-N	-1	0	283.395	3.787	20	30		CHEDRM
CCCCCCCNC(=O)Nc1ncc(Cl)cc1[O-]	ZINC001191084521	1122576348	/nfs/dbraw/zinc/57/63/48/1122576348.db2.gz	QIVHHCVUPNDMTO-UHFFFAOYSA-N	-1	0	285.775	3.533	20	30		CHEDRM
C=CCN(C(=O)c1cc(F)c([O-])cc1F)C1CCCCC1	ZINC001192872863	1122660315	/nfs/dbraw/zinc/66/03/15/1122660315.db2.gz	UQENRALDZOTEAJ-UHFFFAOYSA-N	-1	0	295.329	3.631	20	30		CHEDRM
C=CCN(C(=O)c1ccc(F)c([O-])c1F)C1CCCCC1	ZINC001193784807	1122716042	/nfs/dbraw/zinc/71/60/42/1122716042.db2.gz	SLDUZDBBEDADSO-UHFFFAOYSA-N	-1	0	295.329	3.631	20	30		CHEDRM
N#Cc1ccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc1	ZINC000439280390	1122767195	/nfs/dbraw/zinc/76/71/95/1122767195.db2.gz	ZHLRGGKONSGAAS-HJWRWDBZSA-N	-1	0	290.278	3.568	20	30		CHEDRM
N#Cc1c([O-])csc1NC1=CC[C@H](C(F)(F)F)CC1	ZINC001196767127	1122931664	/nfs/dbraw/zinc/93/16/64/1122931664.db2.gz	KBDUJFGPUOYRBW-ZETCQYMHSA-N	-1	0	288.294	3.984	20	30		CHEDRM
CCc1cnccc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000776190333	1123108706	/nfs/dbraw/zinc/10/87/06/1123108706.db2.gz	RRYMIHGMDVPYHU-ONEGZZNKSA-N	-1	0	289.281	3.524	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)oc2C)n1	ZINC000330607154	1123120992	/nfs/dbraw/zinc/12/09/92/1123120992.db2.gz	JLXVKZJWMHMKFM-GFCCVEGCSA-N	-1	0	288.372	3.966	20	30		CHEDRM
COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3O)[C@H]2C)cc1	ZINC000007333194	1123249149	/nfs/dbraw/zinc/24/91/49/1123249149.db2.gz	FYCKSILJZIAITB-AVMBBCFPSA-N	-1	0	298.313	3.923	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccnc(Cl)c1	ZINC000853394989	1123438745	/nfs/dbraw/zinc/43/87/45/1123438745.db2.gz	GYTKWCKHEXVDHE-UHFFFAOYSA-N	-1	0	297.786	3.948	20	30		CHEDRM
CC(N=Nc1ccc(Cl)cn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000853434388	1123440461	/nfs/dbraw/zinc/44/04/61/1123440461.db2.gz	FJJOGWZIEGENOZ-JTQLQIEISA-N	-1	0	297.786	3.804	20	30		CHEDRM
CC(C)[C@@H](C#N)Oc1ccc(-c2ccc(=O)[nH]c2F)cc1	ZINC000854190060	1123474393	/nfs/dbraw/zinc/47/43/93/1123474393.db2.gz	UWZWTCSUDQGZRT-CQSZACIVSA-N	-1	0	286.306	3.520	20	30		CHEDRM
C=CCCO[N-]C(=O)C1(Sc2ccccc2)CCCC1	ZINC000856031785	1123545284	/nfs/dbraw/zinc/54/52/84/1123545284.db2.gz	BBJTVEJZNWZOMK-UHFFFAOYSA-N	-1	0	291.416	3.715	20	30		CHEDRM
Cc1ccc2c(NNc3cccc(C(=O)[O-])c3)csc2c1	ZINC000797784676	1123787336	/nfs/dbraw/zinc/78/73/36/1123787336.db2.gz	FJRZHZWGWWJYRA-UHFFFAOYSA-N	-1	0	298.367	3.615	20	30		CHEDRM
FC(F)C1CC(N=Nc2nc3ccccc3[nH]c2=S)C1	ZINC000863128347	1123847638	/nfs/dbraw/zinc/84/76/38/1123847638.db2.gz	LBFBPGCYDVTHQO-UHFFFAOYSA-N	-1	0	294.330	3.735	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc(O)cc1	ZINC000794927979	1124084861	/nfs/dbraw/zinc/08/48/61/1124084861.db2.gz	UIXHCVPESLUVNA-YVMONPNESA-N	-1	0	296.322	3.603	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2ccc(C(=O)[O-])cc2F)cc1	ZINC001239262056	1131308595	/nfs/dbraw/zinc/30/85/95/1131308595.db2.gz	RTWKPGFRAVOJGM-JTQLQIEISA-N	-1	0	269.275	3.818	20	30		CHEDRM
N#Cc1c2cccnc2ccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239266473	1131309134	/nfs/dbraw/zinc/30/91/34/1131309134.db2.gz	HICMOHHEDRWNAG-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
COc1ccc(Nc2ccc([S-])cc2)c(C#N)c1	ZINC001212783322	1125196716	/nfs/dbraw/zinc/19/67/16/1125196716.db2.gz	CYAJSWLZVYJGJT-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2ccc(C)cc2C)n1	ZINC000041519834	1125433720	/nfs/dbraw/zinc/43/37/20/1125433720.db2.gz	IXUGOZQILBKFNG-ZDUSSCGKSA-N	-1	0	270.357	3.558	20	30		CHEDRM
CCCC(=CC(=O)[N-]S(=O)(=O)C1CCCC1)CCC	ZINC000092715916	1129405387	/nfs/dbraw/zinc/40/53/87/1129405387.db2.gz	ANUUHHGIFPTREG-UHFFFAOYSA-N	-1	0	287.425	3.742	20	30		CHEDRM
Cc1cc(C)cc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000740763561	1129417734	/nfs/dbraw/zinc/41/77/34/1129417734.db2.gz	KWXDWBXQMOLMDC-WOJGMQOQSA-N	-1	0	298.342	3.579	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CC(c2ccccc2F)C1	ZINC000743431483	1129522765	/nfs/dbraw/zinc/52/27/65/1129522765.db2.gz	ZWJFNXMILXGQLC-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
Cc1cc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)ccc1C#N	ZINC000766491356	1129670011	/nfs/dbraw/zinc/67/00/11/1129670011.db2.gz	OHDDGARLYQCAPU-DSTIGYBWSA-N	-1	0	296.351	3.591	20	30		CHEDRM
Cc1cc(C)cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000254705105	1129705629	/nfs/dbraw/zinc/70/56/29/1129705629.db2.gz	ONGGLRPGYSKLST-UHFFFAOYSA-N	-1	0	270.288	3.668	20	30		CHEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc(Cl)c([O-])c1	ZINC001212594402	1129753230	/nfs/dbraw/zinc/75/32/30/1129753230.db2.gz	YRIZCHMMPQTVFB-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
COc1cccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000119257544	1129847746	/nfs/dbraw/zinc/84/77/46/1129847746.db2.gz	YEJRGKNFCUWGDO-FNORWQNLSA-N	-1	0	288.730	3.950	20	30		CHEDRM
O=C(/C=C\c1cscc1Cl)c1ccc(O)cc1[O-]	ZINC000771858733	1129994457	/nfs/dbraw/zinc/99/44/57/1129994457.db2.gz	KOBXYRGTSNRHQZ-RJRFIUFISA-N	-1	0	280.732	3.709	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1csc(Cl)c1	ZINC000787144335	1130132652	/nfs/dbraw/zinc/13/26/52/1130132652.db2.gz	IEZNRJBYKPJXOV-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)C1CCC(F)(F)CC1	ZINC000788698859	1130202195	/nfs/dbraw/zinc/20/21/95/1130202195.db2.gz	MUTHZTQDWLKMTI-UHFFFAOYSA-N	-1	0	296.317	3.998	20	30		CHEDRM
CCC[C@@H](C)C(CC)N=Nc1ccc(C(=O)[O-])cc1	ZINC000748246145	1130224348	/nfs/dbraw/zinc/22/43/48/1130224348.db2.gz	KBKVCLZVALRMIN-LLVKDONJSA-N	-1	0	262.353	3.999	20	30		CHEDRM
C[C@H](c1ccccc1)[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000746815361	1130253205	/nfs/dbraw/zinc/25/32/05/1130253205.db2.gz	HVBYJULAJLQNDT-PWONOCEESA-N	-1	0	298.342	3.912	20	30		CHEDRM
Cc1cc2n[nH]cc2cc1N=Cc1cc(Cl)ccc1O	ZINC000790100557	1130291055	/nfs/dbraw/zinc/29/10/55/1130291055.db2.gz	WWXAFGKQXBQJLH-UHFFFAOYSA-N	-1	0	285.734	3.981	20	30		CHEDRM
N#Cc1cc(-c2ccccc2/C=C/C(=O)[O-])ccc1Cl	ZINC001240403660	1130292668	/nfs/dbraw/zinc/29/26/68/1130292668.db2.gz	RJHZXZUKYKXCCA-SOFGYWHQSA-N	-1	0	283.714	3.976	20	30		CHEDRM
COc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)c(CC#N)c1	ZINC001240549953	1130352875	/nfs/dbraw/zinc/35/28/75/1130352875.db2.gz	IWFPGHDPFRUXBT-VMPITWQZSA-N	-1	0	293.322	3.526	20	30		CHEDRM
COc1cc(-c2ccc(CCC#N)cc2)ccc1C(=O)[O-]	ZINC001240743469	1130450376	/nfs/dbraw/zinc/45/03/76/1130450376.db2.gz	WQAGVNFIWJVZIG-UHFFFAOYSA-N	-1	0	281.311	3.517	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1ccc(C(=O)[O-])s1	ZINC001240843073	1130490721	/nfs/dbraw/zinc/49/07/21/1130490721.db2.gz	PJYQSHWSDXKREH-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CC[C@H](C)CON=Cc1cccc(Br)c1[O-]	ZINC000793144645	1130525245	/nfs/dbraw/zinc/52/52/45/1130525245.db2.gz	FFOFJUXEETVMLY-VIFPVBQESA-N	-1	0	286.169	3.551	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1coc2ccccc12	ZINC000747737089	1130635403	/nfs/dbraw/zinc/63/54/03/1130635403.db2.gz	UWABOBCWJIFEDX-UHFFFAOYSA-N	-1	0	294.310	3.967	20	30		CHEDRM
O=C(/C=C/C=C\c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759088533	1130635593	/nfs/dbraw/zinc/63/55/93/1130635593.db2.gz	AZFUSJZUCZGXNW-MVTUOISNSA-N	-1	0	295.294	3.753	20	30		CHEDRM
COc1cc(/C=C\C(C)=O)ccc1O[C@@H](C)C1=CC=C[CH]1	ZINC001234340439	1130637083	/nfs/dbraw/zinc/63/70/83/1130637083.db2.gz	YLWNSBKGMPBKLC-CKXPSTMWSA-N	-1	0	283.347	3.765	20	30		CHEDRM
CC(Cc1cccc(F)c1)N=Nc1ccccc1C(=O)[O-]	ZINC000759196559	1130643056	/nfs/dbraw/zinc/64/30/56/1130643056.db2.gz	MOZBEAZXSBWJAC-UHFFFAOYSA-N	-1	0	286.306	3.554	20	30		CHEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000812441904	1130690887	/nfs/dbraw/zinc/69/08/87/1130690887.db2.gz	IQOUVNOKXWUUFH-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cccc(Cl)c1	ZINC000812441658	1130690909	/nfs/dbraw/zinc/69/09/09/1130690909.db2.gz	DTOURFUJBFDJKJ-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
CCc1ccc(C(C)=NNc2ccccc2C(=O)[O-])s1	ZINC000812445816	1130694816	/nfs/dbraw/zinc/69/48/16/1130694816.db2.gz	ATRRCNLAXULJGW-UHFFFAOYSA-N	-1	0	288.372	3.845	20	30		CHEDRM
Cc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1C#N	ZINC001235622193	1130758807	/nfs/dbraw/zinc/75/88/07/1130758807.db2.gz	JJSQKSUTRAFUGE-UXBLZVDNSA-N	-1	0	277.323	3.940	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1C	ZINC000782201328	1130761836	/nfs/dbraw/zinc/76/18/36/1130761836.db2.gz	SUMXNHPPFRHABM-SREVYHEPSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccc(F)cc2F)c1	ZINC000782199877	1130762136	/nfs/dbraw/zinc/76/21/36/1130762136.db2.gz	JJJFZZSXTBTZCD-DUXPYHPUSA-N	-1	0	294.278	3.621	20	30		CHEDRM
CC1(C)CCC/C(=C/c2cc(C(=O)[O-])cs2)C1=O	ZINC000782208340	1130763111	/nfs/dbraw/zinc/76/31/11/1130763111.db2.gz	YCHJIJMAPBIPPU-TWGQIWQCSA-N	-1	0	264.346	3.609	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235988852	1130822667	/nfs/dbraw/zinc/82/26/67/1130822667.db2.gz	BLEBHFOURDCBPG-UHFFFAOYSA-N	-1	0	279.261	3.908	20	30		CHEDRM
N#CCc1ccc(-c2c(F)cc(F)c([O-])c2F)cc1F	ZINC001235996804	1130826402	/nfs/dbraw/zinc/82/64/02/1130826402.db2.gz	YQVGVYJJOLWYRY-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1c(F)cc(F)c([O-])c1F	ZINC001235998160	1130827256	/nfs/dbraw/zinc/82/72/56/1130827256.db2.gz	VIIZAHOHVDCWSE-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
[O-]c1c(F)cc(F)c(-c2ccc(CS)cc2)c1F	ZINC001236001715	1130828530	/nfs/dbraw/zinc/82/85/30/1130828530.db2.gz	FBZRYNPQKVFIBR-UHFFFAOYSA-N	-1	0	270.275	3.906	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccs2)c(Cl)c1	ZINC000783698376	1130848704	/nfs/dbraw/zinc/84/87/04/1130848704.db2.gz	ZQILSKUHUYRBCB-AATRIKPKSA-N	-1	0	292.743	3.996	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCCC[C@@H]1C	ZINC000783863503	1130860194	/nfs/dbraw/zinc/86/01/94/1130860194.db2.gz	RFSPWQPJVIGPNG-AAEUAGOBSA-N	-1	0	290.363	3.617	20	30		CHEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(C)c2Cl)c(C#N)c1	ZINC001236108434	1130866048	/nfs/dbraw/zinc/86/60/48/1130866048.db2.gz	NOCWEBGQVBCHQZ-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(C)c2Cl)n1	ZINC001236108455	1130866131	/nfs/dbraw/zinc/86/61/31/1130866131.db2.gz	OOKHPUCGJMHEFV-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC(c3ccccc3)C2)cc1	ZINC000814680619	1130894361	/nfs/dbraw/zinc/89/43/61/1130894361.db2.gz	ABRAPNBSJTUDMP-UHFFFAOYSA-N	-1	0	280.327	3.730	20	30		CHEDRM
CC(=NNc1cc(C)cc(C)c1)c1csc(C(=O)[O-])c1	ZINC000814753221	1130907913	/nfs/dbraw/zinc/90/79/13/1130907913.db2.gz	IFBUOBLPHRQEFN-UHFFFAOYSA-N	-1	0	288.372	3.899	20	30		CHEDRM
CC[C@H](CN=Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000814768995	1130910259	/nfs/dbraw/zinc/91/02/59/1130910259.db2.gz	RIKXZVBLCIDEMU-CYBMUJFWSA-N	-1	0	282.343	3.976	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@@H](C)c1ccccc1	ZINC000814815192	1130916818	/nfs/dbraw/zinc/91/68/18/1130916818.db2.gz	PQEPOLAYHKCWRP-AWEZNQCLSA-N	-1	0	296.370	3.686	20	30		CHEDRM
Cc1ccc(F)c(-c2cc(C#N)cc(C(F)(F)F)n2)c1[O-]	ZINC001236390062	1130925697	/nfs/dbraw/zinc/92/56/97/1130925697.db2.gz	CNCCJFQZQCIFKC-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
Cc1ccc(F)c(-c2c(F)c(F)c(C#N)c(F)c2F)c1[O-]	ZINC001236414877	1130933040	/nfs/dbraw/zinc/93/30/40/1130933040.db2.gz	MIZGEXGNONNGDN-UHFFFAOYSA-N	-1	0	299.198	3.935	20	30		CHEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1c(F)cccc1Cl	ZINC000814904873	1130933945	/nfs/dbraw/zinc/93/39/45/1130933945.db2.gz	CIMBNZVHFXGPSW-DTWKUNHWSA-N	-1	0	298.745	3.768	20	30		CHEDRM
N#Cc1cccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c1	ZINC000207716529	1131083438	/nfs/dbraw/zinc/08/34/38/1131083438.db2.gz	PFIGNOXROWZOSK-XQRVVYSFSA-N	-1	0	283.714	3.813	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1C(C)C	ZINC000846543879	1131711709	/nfs/dbraw/zinc/71/17/09/1131711709.db2.gz	CVPGHQHXHJRAQH-UKRRQHHQSA-N	-1	0	291.391	3.590	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccs2)CCCCC1	ZINC000846546261	1131712403	/nfs/dbraw/zinc/71/24/03/1131712403.db2.gz	UKBUARFZTIGHNF-GFCCVEGCSA-N	-1	0	279.405	3.572	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCC3)cc1	ZINC000834912203	1131731876	/nfs/dbraw/zinc/73/18/76/1131731876.db2.gz	LAGZPPOKKQNKDZ-UHFFFAOYSA-N	-1	0	258.321	3.507	20	30		CHEDRM
C=CCc1ccc(O[C@H](C)C2=CC=C[CH]2)c(OC)c1	ZINC001227927088	1131769686	/nfs/dbraw/zinc/76/96/86/1131769686.db2.gz	QQRQKJHIHQGFES-CYBMUJFWSA-N	-1	0	255.337	3.891	20	30		CHEDRM
C=C[C@H](CCCCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228387950	1131872860	/nfs/dbraw/zinc/87/28/60/1131872860.db2.gz	AUCIESWGDCJCTG-SNVBAGLBSA-N	-1	0	270.760	3.739	20	30		CHEDRM
CC(=NNc1cccc(Cl)c1C)c1ccc(C(=O)[O-])o1	ZINC000773033267	1131926857	/nfs/dbraw/zinc/92/68/57/1131926857.db2.gz	GAJTZWRAOAHWSE-UHFFFAOYSA-N	-1	0	292.722	3.776	20	30		CHEDRM
CCn1nc(C=CC(=O)c2sccc2[O-])c2ccccc21	ZINC000773144064	1131961645	/nfs/dbraw/zinc/96/16/45/1131961645.db2.gz	VSKAUEQHIIGLOE-BQYQJAHWSA-N	-1	0	298.367	3.719	20	30		CHEDRM
COc1ccccc1C=CC=CC(=O)c1sccc1[O-]	ZINC000773150028	1131964359	/nfs/dbraw/zinc/96/43/59/1131964359.db2.gz	OUBRLSYFMKRRSE-XATRDHJGSA-N	-1	0	286.352	3.915	20	30		CHEDRM
C=CC(C=C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc12	ZINC001229797580	1132119088	/nfs/dbraw/zinc/11/90/88/1132119088.db2.gz	HGERWANJLJAMLD-UHFFFAOYSA-N	-1	0	294.306	3.771	20	30		CHEDRM
C=CC[C@@H](C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210167	1132271350	/nfs/dbraw/zinc/27/13/50/1132271350.db2.gz	JXFXBRLOPJIJQF-CYBMUJFWSA-N	-1	0	282.339	3.967	20	30		CHEDRM
C#C[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232627286	1132499126	/nfs/dbraw/zinc/49/91/26/1132499126.db2.gz	IBUPRBZYIZVVRH-JTQLQIEISA-N	-1	0	284.186	3.544	20	30		CHEDRM
Cc1ccnc(C#N)c1Nc1ccc(Cl)c([O-])c1F	ZINC001214798215	1132552920	/nfs/dbraw/zinc/55/29/20/1132552920.db2.gz	NQNQFXYQUDRKFE-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
CCC[C@@H](C)[C@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919308	1132698072	/nfs/dbraw/zinc/69/80/72/1132698072.db2.gz	GIHYBUZLHYRRDR-MFKMUULPSA-N	-1	0	262.353	3.561	20	30		CHEDRM
N#CCc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1F	ZINC001174498406	1132864332	/nfs/dbraw/zinc/86/43/32/1132864332.db2.gz	CXOVGMBXXCEIDJ-QPJJXVBHSA-N	-1	0	296.301	3.733	20	30		CHEDRM
Cc1c(F)cccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174668663	1132956591	/nfs/dbraw/zinc/95/65/91/1132956591.db2.gz	NOIMZSJVWCVCLJ-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
N#C[C@H](Nc1cc([S-])cc([S-])c1)c1ccccc1	ZINC001161721120	1133020150	/nfs/dbraw/zinc/02/01/50/1133020150.db2.gz	KHPIIFFIJUTDBE-AWEZNQCLSA-N	-1	0	272.398	3.941	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205069562	1133522183	/nfs/dbraw/zinc/52/21/83/1133522183.db2.gz	OFNDZCUDXQCJCO-UHFFFAOYSA-N	-1	0	289.281	3.762	20	30		CHEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1F	ZINC001205088526	1133527615	/nfs/dbraw/zinc/52/76/15/1133527615.db2.gz	JWGVRXRZQAXJIW-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
Cc1cc(-c2ccsc2C(=O)[O-])cc(C)c1C#N	ZINC001205572304	1133589553	/nfs/dbraw/zinc/58/95/53/1133589553.db2.gz	IELGSURJDGZEDD-UHFFFAOYSA-N	-1	0	257.314	3.602	20	30		CHEDRM
N#CCc1c[nH]c2cccc(-c3ccsc3C(=O)[O-])c12	ZINC001205606297	1133593726	/nfs/dbraw/zinc/59/37/26/1133593726.db2.gz	ZTDDSNLGLQGYDP-UHFFFAOYSA-N	-1	0	282.324	3.661	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2ccc([O-])cc2F)n1	ZINC001206021207	1133643542	/nfs/dbraw/zinc/64/35/42/1133643542.db2.gz	JSHGWROYJVSXML-UHFFFAOYSA-N	-1	0	256.280	3.588	20	30		CHEDRM
N#CCCc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001206032000	1133644941	/nfs/dbraw/zinc/64/49/41/1133644941.db2.gz	WCZSENNJWQQJJF-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
Cc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)ccc1CC#N	ZINC001206045270	1133648657	/nfs/dbraw/zinc/64/86/57/1133648657.db2.gz	NWLVZLCPGDSWBQ-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)cc(F)c2F)c([O-])cc1F	ZINC001206410956	1133700165	/nfs/dbraw/zinc/70/01/65/1133700165.db2.gz	UAVYWEUGXWVXMW-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890674	1134097106	/nfs/dbraw/zinc/09/71/06/1134097106.db2.gz	SGEWBOBJHXJVTF-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc(CC#N)c1	ZINC001210006981	1134121450	/nfs/dbraw/zinc/12/14/50/1134121450.db2.gz	GOAFSFLOHDUIQN-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
N#Cc1c2ccccc2sc1Nc1ccc(C(=O)[O-])nc1	ZINC001210171788	1134159949	/nfs/dbraw/zinc/15/99/49/1134159949.db2.gz	PDHJMUNQWYAEKT-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
Cc1sc(Nc2cccc(C(=O)[O-])c2F)c(C#N)c1C	ZINC001210238786	1134175292	/nfs/dbraw/zinc/17/52/92/1134175292.db2.gz	JMAQXKPIKKQETK-UHFFFAOYSA-N	-1	0	290.319	3.818	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210399655	1134208607	/nfs/dbraw/zinc/20/86/07/1134208607.db2.gz	XSBGWMGXGUUKIS-UHFFFAOYSA-N	-1	0	297.314	3.845	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210401170	1134209515	/nfs/dbraw/zinc/20/95/15/1134209515.db2.gz	QPONTEQPBLDMGH-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
CSc1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001211107749	1134369376	/nfs/dbraw/zinc/36/93/76/1134369376.db2.gz	AKNCHPYKNPNOAZ-UHFFFAOYSA-N	-1	0	280.349	3.930	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc2ccccc2[nH]1	ZINC001211308138	1134407120	/nfs/dbraw/zinc/40/71/20/1134407120.db2.gz	XLPJJEGEOHVRQM-UHFFFAOYSA-N	-1	0	255.302	3.550	20	30		CHEDRM
N#Cc1c2cccnc2ccc1-c1cc(F)c([O-])cc1F	ZINC001211360832	1134412172	/nfs/dbraw/zinc/41/21/72/1134412172.db2.gz	XLSAOYSGCOUROA-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
N#Cc1cnc2cc(-c3cc(F)c([O-])cc3F)ccc2c1	ZINC001211359447	1134412788	/nfs/dbraw/zinc/41/27/88/1134412788.db2.gz	HJRKELXZWOOKPL-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(C#N)c1	ZINC001213628082	1134471393	/nfs/dbraw/zinc/47/13/93/1134471393.db2.gz	WYAPMWOIFQKQQZ-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(CC#N)cc1	ZINC001214273921	1134526399	/nfs/dbraw/zinc/52/63/99/1134526399.db2.gz	YCDBFRXYBYAZNH-UHFFFAOYSA-N	-1	0	296.326	3.593	20	30		CHEDRM
N#Cc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1F	ZINC001214488856	1134543029	/nfs/dbraw/zinc/54/30/29/1134543029.db2.gz	OEHJXGGIYOJEFR-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cnoc1[N-]c1c(F)cc(Cl)cc1Cl	ZINC001214549332	1134549611	/nfs/dbraw/zinc/54/96/11/1134549611.db2.gz	BOECJNVNAVVPMS-UHFFFAOYSA-N	-1	0	272.066	3.736	20	30		CHEDRM
COc1ccc(C#N)c(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214802107	1134574690	/nfs/dbraw/zinc/57/46/90/1134574690.db2.gz	VQYKHPGOUZIDGP-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
C=C(C)c1ccccc1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215113879	1134599456	/nfs/dbraw/zinc/59/94/56/1134599456.db2.gz	VPKAWORUIPDXSX-UHFFFAOYSA-N	-1	0	272.279	3.696	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1F	ZINC001215283242	1134613859	/nfs/dbraw/zinc/61/38/59/1134613859.db2.gz	ODPOIWIBSNRHLB-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])c2cccnc12	ZINC001215397660	1134623155	/nfs/dbraw/zinc/62/31/55/1134623155.db2.gz	KROVKTHFSMFLMY-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
Cc1coc(Nc2ccc(C(=O)[O-])c(C)c2Cl)c1C#N	ZINC001215691346	1134660957	/nfs/dbraw/zinc/66/09/57/1134660957.db2.gz	FUDCQMFYJOZJNI-UHFFFAOYSA-N	-1	0	290.706	3.863	20	30		CHEDRM
Cc1cc(-c2noc(-c3cccc([S-])c3)n2)ccc1C#N	ZINC001215761295	1134678799	/nfs/dbraw/zinc/67/87/99/1134678799.db2.gz	HGLBUBIVHVKLRV-UHFFFAOYSA-N	-1	0	293.351	3.872	20	30		CHEDRM
COc1ccc(Nc2scc([O-])c2C#N)cc1SC	ZINC001215933396	1134724675	/nfs/dbraw/zinc/72/46/75/1134724675.db2.gz	OLEDDJWKOGEVJA-UHFFFAOYSA-N	-1	0	292.385	3.799	20	30		CHEDRM
Cc1cc(Nc2c(C)cc(C#N)cc2C#N)cc([O-])c1F	ZINC001216082686	1134771614	/nfs/dbraw/zinc/77/16/14/1134771614.db2.gz	VVABHPNOONNRMG-UHFFFAOYSA-N	-1	0	281.290	3.635	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(Cl)c1C#N	ZINC001216127285	1134785584	/nfs/dbraw/zinc/78/55/84/1134785584.db2.gz	PXCQHUHVADAYQN-UHFFFAOYSA-N	-1	0	275.720	3.594	20	30		CHEDRM
Cc1cc(Nc2ccc(F)cc2C#N)cc(C)c1C(=O)[O-]	ZINC001216311909	1134846942	/nfs/dbraw/zinc/84/69/42/1134846942.db2.gz	VHOBDPAUTJNCNI-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
COc1cc(C#N)ccc1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216311836	1134847125	/nfs/dbraw/zinc/84/71/25/1134847125.db2.gz	SQZJYBZUTHUWFE-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1c(Nc2ccccc2CC#N)cccc1C(=O)[O-]	ZINC001216661717	1134941754	/nfs/dbraw/zinc/94/17/54/1134941754.db2.gz	PBAHIXUNVHUZEE-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1C	ZINC001216979499	1134956206	/nfs/dbraw/zinc/95/62/06/1134956206.db2.gz	ABAGTSDDWKUDKR-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
N#CCc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c(F)c1	ZINC001222678869	1135263841	/nfs/dbraw/zinc/26/38/41/1135263841.db2.gz	PALAJIYOONLITO-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
CC[C@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222939537	1135286565	/nfs/dbraw/zinc/28/65/65/1135286565.db2.gz	DWSTYDQJPAQHFN-OPVNVCPSSA-N	-1	0	277.698	3.926	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1	ZINC001225490314	1135575663	/nfs/dbraw/zinc/57/56/63/1135575663.db2.gz	HIIMUMCGTIRWQF-WFASDCNBSA-N	-1	0	289.331	3.980	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1	ZINC001225490313	1135576004	/nfs/dbraw/zinc/57/60/04/1135576004.db2.gz	HIIMUMCGTIRWQF-SWLSCSKDSA-N	-1	0	289.331	3.980	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1	ZINC001225620108	1135597825	/nfs/dbraw/zinc/59/78/25/1135597825.db2.gz	MRPPADYEDRPBJJ-IUODEOHRSA-N	-1	0	289.331	3.980	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1	ZINC001225620109	1135598254	/nfs/dbraw/zinc/59/82/54/1135598254.db2.gz	MRPPADYEDRPBJJ-SWLSCSKDSA-N	-1	0	289.331	3.980	20	30		CHEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC001226008156	1135651921	/nfs/dbraw/zinc/65/19/21/1135651921.db2.gz	FMJSYCIEGSDOBQ-GMXVVIOVSA-N	-1	0	290.338	3.536	20	30		CHEDRM
C=C[C@H](CC(=O)OC(C)(C)C)Oc1cccc([S-])c1	ZINC001226016808	1135653298	/nfs/dbraw/zinc/65/32/98/1135653298.db2.gz	VEUAAHISADPLCQ-LLVKDONJSA-N	-1	0	280.389	3.641	20	30		CHEDRM
CC(C)c1ccc(C#N)c(O[C@@H](C)C2=CC=C[CH]2)n1	ZINC001226353647	1135686064	/nfs/dbraw/zinc/68/60/64/1135686064.db2.gz	GKAKCPWZDQUAFM-LBPRGKRZSA-N	-1	0	253.325	3.544	20	30		CHEDRM
C=C[C@H](C)Oc1cc(OC)ccc1C(=O)c1ccccc1[O-]	ZINC001227407086	1135830207	/nfs/dbraw/zinc/83/02/07/1135830207.db2.gz	MIYVBWXGEPRARY-LBPRGKRZSA-N	-1	0	298.338	3.585	20	30		CHEDRM
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1	ZINC000280897894	263064928	/nfs/dbraw/zinc/06/49/28/263064928.db2.gz	CFFQYRIFSUBJKO-LJZFLEOYSA-N	-1	0	288.174	3.543	20	30		CHEDRM
CC[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000290573315	263117577	/nfs/dbraw/zinc/11/75/77/263117577.db2.gz	OPCLNVLZMAQLML-UWJMNNEMSA-N	-1	0	276.163	3.543	20	30		CHEDRM
CC(C)(C)c1csc(NC(=O)c2ccc(C#N)o2)c1C#N	ZINC000334566832	265051860	/nfs/dbraw/zinc/05/18/60/265051860.db2.gz	QQKIBOBRRBRYPS-UHFFFAOYSA-N	-1	0	299.355	3.634	20	30		CHEDRM
CCc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000049004228	329633919	/nfs/dbraw/zinc/63/39/19/329633919.db2.gz	DNRLCGJRIIUUNN-SNVBAGLBSA-N	-1	0	276.386	3.566	20	30		CHEDRM
C=CCC1(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CCC1	ZINC000263342386	330052730	/nfs/dbraw/zinc/05/27/30/330052730.db2.gz	SHVJWLHYDMNPJM-GFCCVEGCSA-N	-1	0	287.359	3.560	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1	ZINC000430600746	330569597	/nfs/dbraw/zinc/56/95/97/330569597.db2.gz	YJAKQCOWJKYJFH-LLVKDONJSA-N	-1	0	299.399	3.634	20	30		CHEDRM
N#Cc1cccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c1	ZINC000439273077	330736304	/nfs/dbraw/zinc/73/63/04/330736304.db2.gz	HSENDAHYILTYRZ-QPJJXVBHSA-N	-1	0	290.278	3.568	20	30		CHEDRM
N#Cc1cccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)[O-])c1	ZINC000566495333	334652688	/nfs/dbraw/zinc/65/26/88/334652688.db2.gz	ZCJHRHGAWFUMAY-MJGOQNOKSA-N	-1	0	289.334	3.514	20	30		CHEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=CC(C)(C)C	ZINC000077880752	334117756	/nfs/dbraw/zinc/11/77/56/334117756.db2.gz	MRFAVRWCBYQYLM-HCRIHEDKSA-N	-1	0	295.404	3.636	20	30		CHEDRM
C=CCOc1cccc(CNc2ccc(C)c(C(=O)[O-])c2)c1	ZINC000551054883	334237427	/nfs/dbraw/zinc/23/74/27/334237427.db2.gz	BFQIFWJMVYOSHH-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
CC[C@@H](Cc1cccc(-c2ccsc2C#N)c1)C(=O)[O-]	ZINC000565235643	334546973	/nfs/dbraw/zinc/54/69/73/334546973.db2.gz	HTGJHIIFHHQLRT-LBPRGKRZSA-N	-1	0	285.368	3.940	20	30		CHEDRM
C=C[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000581438728	336077952	/nfs/dbraw/zinc/07/79/52/336077952.db2.gz	YYGZMFSWMVHJCY-SNVBAGLBSA-N	-1	0	299.292	3.592	20	30		CHEDRM
N#Cc1c(F)cccc1SCc1ccc(C(=O)[O-])cc1	ZINC000739092771	599705579	/nfs/dbraw/zinc/70/55/79/599705579.db2.gz	JNXBYOSULYKAJT-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
C=CCCCCCN(C)C(=O)c1ccccc1NC(=O)[O-]	ZINC000736097744	600551940	/nfs/dbraw/zinc/55/19/40/600551940.db2.gz	PXMVEBGSZOOVQQ-UHFFFAOYSA-N	-1	0	290.363	3.595	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2\Cc3cc(Cl)ccc3C2=O)cc1	ZINC000742438624	600829244	/nfs/dbraw/zinc/82/92/44/600829244.db2.gz	ZZDOFJBDLYDMQF-NTUHNPAUSA-N	-1	0	298.725	3.861	20	30		CHEDRM
N#Cc1ccc([C@@H](Sc2ccccc2F)C(=O)[O-])cc1	ZINC000739117926	600935581	/nfs/dbraw/zinc/93/55/81/600935581.db2.gz	NQZOQKUHAGOHLQ-CQSZACIVSA-N	-1	0	287.315	3.615	20	30		CHEDRM
CC(C)(C(=O)[O-])c1ccc(NCc2cccc(C#N)c2)cc1	ZINC000826126775	601250800	/nfs/dbraw/zinc/25/08/00/601250800.db2.gz	IOTVVTKFYQZILG-UHFFFAOYSA-N	-1	0	294.354	3.533	20	30		CHEDRM
CCCCC[C@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000829312682	601365654	/nfs/dbraw/zinc/36/56/54/601365654.db2.gz	YMXHZIQADLPHOG-QUYZQLMHSA-N	-1	0	299.370	3.998	20	30		CHEDRM
N#Cc1cc(Cl)ccc1SCc1ccc(C(=O)[O-])o1	ZINC000833068857	601547683	/nfs/dbraw/zinc/54/76/83/601547683.db2.gz	OCMOQWRXGMOALS-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
N#Cc1ccccc1SCc1ccc(C(=O)[O-])c(F)c1	ZINC000833076265	601677038	/nfs/dbraw/zinc/67/70/38/601677038.db2.gz	AGNPACQUCJJAKD-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
CC(C)[C@H](C)SCc1cccc(C(=O)[O-])c1C#N	ZINC000833468675	604552317	/nfs/dbraw/zinc/55/23/17/604552317.db2.gz	JLXCRYDWNKYXFT-JTQLQIEISA-N	-1	0	263.362	3.534	20	30		CHEDRM
CC(C)(C#N)c1ccccc1CNc1cccc(C(=O)[O-])c1	ZINC000826080627	604642359	/nfs/dbraw/zinc/64/23/59/604642359.db2.gz	BPRNQFBRWQIHTQ-UHFFFAOYSA-N	-1	0	294.354	3.798	20	30		CHEDRM
C=C[C@@H](CC(=O)Oc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833371932	604763236	/nfs/dbraw/zinc/76/32/36/604763236.db2.gz	XAWKLQNPFOWNHN-ZDUSSCGKSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C=CCCc1csc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000833374867	604940469	/nfs/dbraw/zinc/94/04/69/604940469.db2.gz	JYSDTPJVNZPPSL-UHFFFAOYSA-N	-1	0	259.330	3.627	20	30		CHEDRM
C[C@H](Nc1ccc(NC(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000833524363	605205701	/nfs/dbraw/zinc/20/57/01/605205701.db2.gz	FCGQXEJZAUAWAQ-NSHDSACASA-N	-1	0	281.315	3.821	20	30		CHEDRM
CCCCCCCCCN(C)C(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001589645308	949722682	/nfs/dbraw/zinc/72/26/82/949722682.db2.gz	UUSLSCRSLASDDU-KRWDZBQOSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCCCOc1cccnc1C(=O)[O-]	ZINC000103740865	958360477	/nfs/dbraw/zinc/36/04/77/958360477.db2.gz	QYNDBZGNGKLHGW-UHFFFAOYSA-N	-1	0	251.326	3.519	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)s1	ZINC000126331770	958587648	/nfs/dbraw/zinc/58/76/48/958587648.db2.gz	XBJCGLGLYKYCRT-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001573347868	962952056	/nfs/dbraw/zinc/95/20/56/962952056.db2.gz	PKSWPUWUTAJJEE-UHFFFAOYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-]	ZINC001573348283	962957524	/nfs/dbraw/zinc/95/75/24/962957524.db2.gz	UUSRNBWPDPDJFC-LBPRGKRZSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-]	ZINC000312230886	963545051	/nfs/dbraw/zinc/54/50/51/963545051.db2.gz	FPTGLISVOQVPIN-HNNXBMFYSA-N	-1	0	269.300	3.530	20	30		CHEDRM
C=CCCCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000312862740	963599907	/nfs/dbraw/zinc/59/99/07/963599907.db2.gz	ZWMWKDAKKPODJY-UHFFFAOYSA-N	-1	0	296.754	3.516	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000313740405	963678573	/nfs/dbraw/zinc/67/85/73/963678573.db2.gz	BVXOOUCOKKTSPK-LSDHHAIUSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CC(C)c1ccccc1C=NNc1ccc(CC(=O)[O-])cc1	ZINC001591994272	976630096	/nfs/dbraw/zinc/63/00/96/976630096.db2.gz	GSLZUVBYQGFKOD-UHFFFAOYSA-N	-1	0	296.370	3.883	20	30		CHEDRM
Cc1ccc(N=NC(C)CC(C)(C)CC(=O)[O-])cc1	ZINC001592444232	978102070	/nfs/dbraw/zinc/10/20/70/978102070.db2.gz	LYQBLLZJZFENFA-UHFFFAOYSA-N	-1	0	262.353	3.674	20	30		CHEDRM
CC(CCC(=O)[O-])N=Nc1c(Cl)cc(F)cc1Cl	ZINC001592470552	978223000	/nfs/dbraw/zinc/22/30/00/978223000.db2.gz	MNGSHJQVSQKAEC-UHFFFAOYSA-N	-1	0	293.125	3.785	20	30		CHEDRM
C[C@H](CC=NNCc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC001592470768	978224960	/nfs/dbraw/zinc/22/49/60/978224960.db2.gz	LPRNDQBLKNXWKF-CQSZACIVSA-N	-1	0	296.370	3.540	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2cccc3ccccc32)cc1	ZINC000747060497	978686210	/nfs/dbraw/zinc/68/62/10/978686210.db2.gz	TZRRQTUDUDAAQS-UHFFFAOYSA-N	-1	0	290.322	3.984	20	30		CHEDRM
CC(C)(C#N)[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000814687235	978872631	/nfs/dbraw/zinc/87/26/31/978872631.db2.gz	CXASREBKADGQRR-ZDUSSCGKSA-N	-1	0	285.347	3.503	20	30		CHEDRM
CCCCC(CC)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414665	979466696	/nfs/dbraw/zinc/46/66/96/979466696.db2.gz	BBMIPUKHWWHAMC-UHFFFAOYSA-N	-1	0	262.353	3.682	20	30		CHEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414882	979468080	/nfs/dbraw/zinc/46/80/80/979468080.db2.gz	SOQKUIZDNKBNHK-OCCSQVGLSA-N	-1	0	274.364	3.538	20	30		CHEDRM
CCCC(C)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595567928	981470186	/nfs/dbraw/zinc/47/01/86/981470186.db2.gz	TVGJUSMGUWWQSZ-UHFFFAOYSA-N	-1	0	254.717	3.626	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909513754	981521382	/nfs/dbraw/zinc/52/13/82/981521382.db2.gz	UAPZVSSTNYEUDS-UHFFFAOYSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909517669	981523859	/nfs/dbraw/zinc/52/38/59/981523859.db2.gz	VCNWFWORUKWHRX-UHFFFAOYSA-N	-1	0	275.348	3.542	20	30		CHEDRM
CCCC[C@@H](S[C@@H](C#N)Cc1ccc(C)cc1)C(=O)[O-]	ZINC001595651552	982023456	/nfs/dbraw/zinc/02/34/56/982023456.db2.gz	HUOVHWQAPNVHIB-HUUCEWRRSA-N	-1	0	291.416	3.806	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001595705052	982282043	/nfs/dbraw/zinc/28/20/43/982282043.db2.gz	OVLWSEINKILLMR-HIFRSBDPSA-N	-1	0	295.423	3.663	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001595705192	982282331	/nfs/dbraw/zinc/28/23/31/982282331.db2.gz	RESYHDLUUGQONU-UHFFFAOYSA-N	-1	0	299.317	3.962	20	30		CHEDRM
CCCCCCCCCN(C)C(=O)c1cc(C(=O)[O-])co1	ZINC001595705224	982282558	/nfs/dbraw/zinc/28/25/58/982282558.db2.gz	RURCIFIXPSICFP-UHFFFAOYSA-N	-1	0	295.379	3.800	20	30		CHEDRM
CCCCCCCn1nc(C)c([C@H](C)C(=O)[O-])c1C	ZINC001595708804	982287065	/nfs/dbraw/zinc/28/70/65/982287065.db2.gz	HATWDTQSLYQODS-NSHDSACASA-N	-1	0	266.385	3.658	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-]	ZINC001588606007	983696009	/nfs/dbraw/zinc/69/60/09/983696009.db2.gz	UFGGTAVBMOTHAO-UHFFFAOYSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)NC(C)(C)CC1CCCCCC1	ZINC001588618788	983712944	/nfs/dbraw/zinc/71/29/44/983712944.db2.gz	ACWLKJZFDKKMGO-UHFFFAOYSA-N	-1	0	295.423	3.663	20	30		CHEDRM
C=C[C@H](C(=O)[O-])N(C)c1ccc2c(c1)oc1ccccc12	ZINC001588664788	983804595	/nfs/dbraw/zinc/80/45/95/983804595.db2.gz	WBQJRDGTQXEXMM-CQSZACIVSA-N	-1	0	281.311	3.661	20	30		CHEDRM
C=C[C@@H](C(=O)[O-])N(C)c1ccc2c(c1)oc1ccccc12	ZINC001588664786	983804812	/nfs/dbraw/zinc/80/48/12/983804812.db2.gz	WBQJRDGTQXEXMM-AWEZNQCLSA-N	-1	0	281.311	3.661	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC001588691272	983879346	/nfs/dbraw/zinc/87/93/46/983879346.db2.gz	WDPHZNBAOHIVMP-VIFPVBQESA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-]	ZINC001588691233	983879538	/nfs/dbraw/zinc/87/95/38/983879538.db2.gz	VCHHNOBQNZKDDR-MRVPVSSYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cccc(Cl)c1C(=O)[O-]	ZINC001588737284	984028650	/nfs/dbraw/zinc/02/86/50/984028650.db2.gz	HSZNXVHZRPGDDD-UHFFFAOYSA-N	-1	0	293.750	3.745	20	30		CHEDRM
C=CC[C@@H](SC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC001588758166	984105401	/nfs/dbraw/zinc/10/54/01/984105401.db2.gz	FCHMJPFECZLFRS-WCQYABFASA-N	-1	0	250.363	3.553	20	30		CHEDRM
C=CCC[C@H](CC)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588777682	984157509	/nfs/dbraw/zinc/15/75/09/984157509.db2.gz	FVDYWILAAZWKJU-LBPRGKRZSA-N	-1	0	263.337	3.550	20	30		CHEDRM
C=CCCCOc1c(Cl)cccc1CCC(=O)[O-]	ZINC001588803975	984252800	/nfs/dbraw/zinc/25/28/00/984252800.db2.gz	QOGNITBOKADAAT-UHFFFAOYSA-N	-1	0	268.740	3.702	20	30		CHEDRM
C=CCN(Cc1ccccc1F)[C@H](C(=O)[O-])c1ccccc1	ZINC001588831644	984315786	/nfs/dbraw/zinc/31/57/86/984315786.db2.gz	GINDSOSNTQLVSU-KRWDZBQOSA-N	-1	0	299.345	3.640	20	30		CHEDRM
CC#CCCSc1ccc(Br)cc1C(=O)[O-]	ZINC001588931457	984602880	/nfs/dbraw/zinc/60/28/80/984602880.db2.gz	UZBKWXPVMQBUOP-UHFFFAOYSA-N	-1	0	299.189	3.653	20	30		CHEDRM
CC(C)(C#N)CCOc1cccc2sc(C(=O)[O-])cc21	ZINC001589554751	987303096	/nfs/dbraw/zinc/30/30/96/987303096.db2.gz	MJNKZYCJQNPLPQ-UHFFFAOYSA-N	-1	0	289.356	3.918	20	30		CHEDRM
CSc1ccc(N[C@H](C)CC(C)(C)C#N)cc1C(=O)[O-]	ZINC001599820756	988508923	/nfs/dbraw/zinc/50/89/23/988508923.db2.gz	LNPJRMUXOOGLDK-SNVBAGLBSA-N	-1	0	292.404	3.847	20	30		CHEDRM
CC(C)[C@H]1c2ccccc2C(=O)/C1=C\c1c[nH]c(C(=O)[O-])c1	ZINC001591067604	991513784	/nfs/dbraw/zinc/51/37/84/991513784.db2.gz	GGVWNNMLRVDAIP-VFXTVZEFSA-N	-1	0	295.338	3.732	20	30		CHEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001175067670	1121147075	/nfs/dbraw/zinc/14/70/75/1121147075.db2.gz	HENCQPPDLXGYBK-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
N#Cc1ccncc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210924306	1134328803	/nfs/dbraw/zinc/32/88/03/1134328803.db2.gz	IOYHDJPDDBKCAE-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
CCCCCCCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000221243366	1125727416	/nfs/dbraw/zinc/72/74/16/1125727416.db2.gz	AKXDJFXEMVBEFU-ILXRZTDVSA-N	-1	0	295.423	3.591	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])cc(C)c1O	ZINC000757468607	1125756604	/nfs/dbraw/zinc/75/66/04/1125756604.db2.gz	SLVVTRWVEQRKDU-HWKANZROSA-N	-1	0	286.302	3.750	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C[C@H]1CCC=CO1	ZINC000780149902	1130219053	/nfs/dbraw/zinc/21/90/53/1130219053.db2.gz	POFVEEZIVLHESH-CRZGJZTJSA-N	-1	0	286.158	3.811	20	30		CHEDRM
CC1(C)CCC/C(=C\c2cc(C(=O)[O-])cs2)C1=O	ZINC000782208339	1130762915	/nfs/dbraw/zinc/76/29/15/1130762915.db2.gz	YCHJIJMAPBIPPU-RMKNXTFCSA-N	-1	0	264.346	3.609	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000907769125	1126984536	/nfs/dbraw/zinc/98/45/36/1126984536.db2.gz	RVVZAMQXMVCWLL-VIFPVBQESA-N	-1	0	296.392	3.506	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910705616	1127067318	/nfs/dbraw/zinc/06/73/18/1127067318.db2.gz	LHYCGUWJGCBBFB-UHFFFAOYSA-N	-1	0	296.392	3.506	20	30		CHEDRM
N#CC(=C([O-])C=Cc1cccs1)c1nc2ccccc2o1	ZINC000054735034	1127138023	/nfs/dbraw/zinc/13/80/23/1127138023.db2.gz	ILDYJBDNNWGLKF-ABZNLYFFSA-N	-1	0	294.335	3.779	20	30		CHEDRM
CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1	ZINC000156710170	1127165730	/nfs/dbraw/zinc/16/57/30/1127165730.db2.gz	XIQGXKVCRBTUST-UXBLZVDNSA-N	-1	0	295.338	3.555	20	30		CHEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1	ZINC000592973351	1127363958	/nfs/dbraw/zinc/36/39/58/1127363958.db2.gz	DNFUAZANUXGTKM-JTQLQIEISA-N	-1	0	299.330	3.562	20	30		CHEDRM
Cc1cc(C(C)(C)C(=O)[O-])ccc1-c1csc(C#N)c1	ZINC000594872105	1127431490	/nfs/dbraw/zinc/43/14/90/1127431490.db2.gz	OTLOQLOKNAJOLJ-UHFFFAOYSA-N	-1	0	285.368	3.957	20	30		CHEDRM
CCCC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C	ZINC000046929141	1127467981	/nfs/dbraw/zinc/46/79/81/1127467981.db2.gz	NCSMGAQWZCSFOE-UHFFFAOYSA-N	-1	0	297.420	3.738	20	30		CHEDRM
Cc1[n-]n(-c2cc(Cl)cc(Cl)c2)c(=O)c1CCC#N	ZINC000601937814	1127551230	/nfs/dbraw/zinc/55/12/30/1127551230.db2.gz	IIHUHAMETNJJJQ-LBPRGKRZSA-N	-1	0	296.157	3.636	20	30		CHEDRM
Cc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CCC#N	ZINC000603924034	1127683213	/nfs/dbraw/zinc/68/32/13/1127683213.db2.gz	WSMBTAJOIUPINC-JTQLQIEISA-N	-1	0	296.157	3.636	20	30		CHEDRM
Cc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CCC#N	ZINC000603924035	1127683500	/nfs/dbraw/zinc/68/35/00/1127683500.db2.gz	WSMBTAJOIUPINC-SNVBAGLBSA-N	-1	0	296.157	3.636	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)C(C)C	ZINC000172018980	1127741525	/nfs/dbraw/zinc/74/15/25/1127741525.db2.gz	WUBZSLYQZHEWIH-FZMZJTMJSA-N	-1	0	296.370	3.660	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Cl)cc2)s1	ZINC000213226896	1128232122	/nfs/dbraw/zinc/23/21/22/1128232122.db2.gz	UPKUZCICFVKKER-UTCJRWHESA-N	-1	0	292.743	3.996	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1ccc(F)cn1	ZINC000763098500	1128351788	/nfs/dbraw/zinc/35/17/88/1128351788.db2.gz	YBHLVNMLAAHQAF-ZWSORDCHSA-N	-1	0	299.132	3.852	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1	ZINC000916240860	1128412201	/nfs/dbraw/zinc/41/22/01/1128412201.db2.gz	RGPIBQYEOOHGLL-UHFFFAOYSA-N	-1	0	282.343	3.919	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(C)sc1C	ZINC000916240441	1128412417	/nfs/dbraw/zinc/41/24/17/1128412417.db2.gz	CIAYUVMKQNLRCO-UHFFFAOYSA-N	-1	0	288.372	3.899	20	30		CHEDRM
Cc1ccccc1C[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000917556874	1128507420	/nfs/dbraw/zinc/50/74/20/1128507420.db2.gz	QDHVQRGDUQBWHQ-NCUBORBFSA-N	-1	0	298.342	3.659	20	30		CHEDRM
O=C(/C=C\c1ccc(F)cc1)c1cc(F)ccc1[O-]	ZINC000033447970	1128529097	/nfs/dbraw/zinc/52/90/97/1128529097.db2.gz	MICVLUDXQZRAIN-CLTKARDFSA-N	-1	0	260.239	3.567	20	30		CHEDRM
Cc1ccc(-c2cc(C(=O)[O-])n(C(C)C)c2)c(C#N)c1	ZINC000567915950	1128574700	/nfs/dbraw/zinc/57/47/00/1128574700.db2.gz	CZXJEBUEYFILOP-UHFFFAOYSA-N	-1	0	268.316	3.614	20	30		CHEDRM
Cc1cc(C)cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000921268930	1128705817	/nfs/dbraw/zinc/70/58/17/1128705817.db2.gz	GDEWXAVJKXMIID-VMPITWQZSA-N	-1	0	294.350	3.827	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)C1CCCCC1	ZINC000175322633	1128725522	/nfs/dbraw/zinc/72/55/22/1128725522.db2.gz	AAWWMJWKUYZSGY-VOTSOKGWSA-N	-1	0	266.287	3.833	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000254948642	1117913924	/nfs/dbraw/zinc/91/39/24/1117913924.db2.gz	YLOMCEDXVKWVSJ-ALCCZGGFSA-N	-1	0	289.312	3.566	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCCC2)n1	ZINC000254955493	1117916475	/nfs/dbraw/zinc/91/64/75/1117916475.db2.gz	MTYCSUMKGLMSFU-WSROAFLRSA-N	-1	0	274.389	3.764	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CC(c3ccccc3)C2)c1	ZINC000728226592	1118032809	/nfs/dbraw/zinc/03/28/09/1118032809.db2.gz	UTPWEZVLFMTYIL-WOJGMQOQSA-N	-1	0	296.326	3.666	20	30		CHEDRM
CC(=NNc1ccccc1Cl)c1cccc(C(=O)[O-])c1	ZINC000764649534	1118104746	/nfs/dbraw/zinc/10/47/46/1118104746.db2.gz	OZZABDLPRDSAMQ-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
CCC[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179739898	1128757033	/nfs/dbraw/zinc/75/70/33/1128757033.db2.gz	TUMVQRNLYOWKJV-HNNXBMFYSA-N	-1	0	294.354	3.786	20	30		CHEDRM
C=CCCCN(CC)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000890814139	1118144410	/nfs/dbraw/zinc/14/44/10/1118144410.db2.gz	WMQBHSAAGNOVMX-UHFFFAOYSA-N	-1	0	290.388	3.545	20	30		CHEDRM
COc1cc(C(=O)/C=C\c2c(F)cccc2F)ccc1O	ZINC000213712783	1118194988	/nfs/dbraw/zinc/19/49/88/1118194988.db2.gz	GVUBAYIFSQHUHZ-VURMDHGXSA-N	-1	0	290.265	3.575	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000188781858	1128765502	/nfs/dbraw/zinc/76/55/02/1128765502.db2.gz	CMLCPONQVIMCLJ-CQSZACIVSA-N	-1	0	276.361	3.657	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC001210400783	1118274165	/nfs/dbraw/zinc/27/41/65/1118274165.db2.gz	LVWXZJFHHSQECO-SNVBAGLBSA-N	-1	0	283.287	3.671	20	30		CHEDRM
Cc1ncccc1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000255192047	1118416177	/nfs/dbraw/zinc/41/61/77/1118416177.db2.gz	YWUCJMKDCVTPFP-XQRVVYSFSA-N	-1	0	273.719	3.645	20	30		CHEDRM
O=C(/C=C/c1ccc(Cl)cc1F)c1ccc(O)cc1[O-]	ZINC000782206696	1118513413	/nfs/dbraw/zinc/51/34/13/1118513413.db2.gz	JKWDQFMNRICCSD-QHHAFSJGSA-N	-1	0	292.693	3.786	20	30		CHEDRM
COc1cc(C(=O)/C=C\c2cc(C)ccc2F)ccc1O	ZINC000255263728	1118538567	/nfs/dbraw/zinc/53/85/67/1118538567.db2.gz	NXKUPQGQYFDZGE-DAXSKMNVSA-N	-1	0	286.302	3.744	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1	ZINC000430589819	1118576910	/nfs/dbraw/zinc/57/69/10/1118576910.db2.gz	FRPWSAIXVUXGPU-JTQLQIEISA-N	-1	0	288.372	3.832	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1	ZINC000342378116	1118996144	/nfs/dbraw/zinc/99/61/44/1118996144.db2.gz	XYODAQAIDYKHEC-GFCCVEGCSA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1cc(Nc2ccc(CC#N)cc2)cc(C(=O)[O-])c1	ZINC001211542788	1119060099	/nfs/dbraw/zinc/06/00/99/1119060099.db2.gz	QGGTXSLAIRIKEU-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)cc1C	ZINC000048518033	1119081748	/nfs/dbraw/zinc/08/17/48/1119081748.db2.gz	CQGOUMILKAODAC-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
Cc1cc(Nc2cccc(Cl)c2C#N)cc(C(=O)[O-])c1	ZINC001211547197	1119100033	/nfs/dbraw/zinc/10/00/33/1119100033.db2.gz	JRZSODWTUACRIG-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
O=C(/C=C/c1cccc2cnccc12)c1ccc(O)cc1[O-]	ZINC000180932685	1128823951	/nfs/dbraw/zinc/82/39/51/1128823951.db2.gz	XDJJDDPWOQSBIW-QPJJXVBHSA-N	-1	0	291.306	3.542	20	30		CHEDRM
CC=C(CC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000588569454	1119319927	/nfs/dbraw/zinc/31/99/27/1119319927.db2.gz	YDOCXHIUCGEDGN-MBNGJLNHSA-N	-1	0	294.354	3.724	20	30		CHEDRM
Cc1oc(Nc2ccc(C)c(C(=O)[O-])c2)c(C#N)c1C	ZINC001211596300	1119407612	/nfs/dbraw/zinc/40/76/12/1119407612.db2.gz	BJYBKTLDBZXRGB-UHFFFAOYSA-N	-1	0	270.288	3.518	20	30		CHEDRM
Cc1ccc(Nc2ccc(Cl)c(C#N)c2)cc1C(=O)[O-]	ZINC001211604294	1119442098	/nfs/dbraw/zinc/44/20/98/1119442098.db2.gz	ZHGFNVALYUMREX-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(Nc2cc(F)c(F)cc2C#N)cc1C(=O)[O-]	ZINC001211606001	1119452166	/nfs/dbraw/zinc/45/21/66/1119452166.db2.gz	FTJUPMYBIKTHFP-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CC(=O)c1ccc(Nc2ccc(C)c(C(=O)[O-])c2)c(C#N)c1	ZINC001211606126	1119452757	/nfs/dbraw/zinc/45/27/57/1119452757.db2.gz	HNWRFIYKAZLSGX-UHFFFAOYSA-N	-1	0	294.310	3.511	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1sc2c(c1C#N)CCC2	ZINC001211616336	1119512194	/nfs/dbraw/zinc/51/21/94/1119512194.db2.gz	IFSHEPITMZDZIB-UHFFFAOYSA-N	-1	0	298.367	3.859	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1	ZINC000647371078	1119698765	/nfs/dbraw/zinc/69/87/65/1119698765.db2.gz	JSLWWPCQHTXMKE-JTQLQIEISA-N	-1	0	288.397	3.881	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000647378349	1119709310	/nfs/dbraw/zinc/70/93/10/1119709310.db2.gz	QDVAQGUYJFCBTC-LLVKDONJSA-N	-1	0	286.356	3.720	20	30		CHEDRM
Cc1cscc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378430	1119709716	/nfs/dbraw/zinc/70/97/16/1119709716.db2.gz	YYZLYDXFIWIEAL-JTQLQIEISA-N	-1	0	288.397	3.881	20	30		CHEDRM
N#CC(=C([O-])c1occ2c1CCC2)c1nc(C2CC2)cs1	ZINC000647379695	1119712377	/nfs/dbraw/zinc/71/23/77/1119712377.db2.gz	FCOLNQBRGPVUPY-LBPRGKRZSA-N	-1	0	298.367	3.592	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255691359	1119727469	/nfs/dbraw/zinc/72/74/69/1119727469.db2.gz	NSTGDVFBUKRRMY-HYXAFXHYSA-N	-1	0	289.312	3.566	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000177742235	1119851583	/nfs/dbraw/zinc/85/15/83/1119851583.db2.gz	HOIZJSZGSYHWQA-FYJFLYSWSA-N	-1	0	286.356	3.749	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])c(C)c2)s1	ZINC001211648258	1120106877	/nfs/dbraw/zinc/10/68/77/1120106877.db2.gz	YHGJEXQPNRRXHT-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
CSc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000107407866	1120291374	/nfs/dbraw/zinc/29/13/74/1120291374.db2.gz	HRDXDMFUOCPFNE-MRVPVSSYSA-N	-1	0	294.426	3.725	20	30		CHEDRM
O=C(/C=C/c1sccc1Cl)c1ccc(O)cc1[O-]	ZINC000195338966	1120620768	/nfs/dbraw/zinc/62/07/68/1120620768.db2.gz	YSVUQWRYNVDNPD-ONEGZZNKSA-N	-1	0	280.732	3.709	20	30		CHEDRM
Cc1cc(Nc2c(Cl)cccc2C#N)ccc1C(=O)[O-]	ZINC001211658405	1120633822	/nfs/dbraw/zinc/63/38/22/1120633822.db2.gz	MMFJYOVTYSGFJB-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1C#N	ZINC001212513502	1121017224	/nfs/dbraw/zinc/01/72/24/1121017224.db2.gz	UCAWSEAJVHIPRX-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001174956208	1121110230	/nfs/dbraw/zinc/11/02/30/1121110230.db2.gz	LENFLKIRXINJHL-UHFFFAOYSA-N	-1	0	280.327	3.546	20	30		CHEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)c(F)c1F	ZINC001175149591	1121185883	/nfs/dbraw/zinc/18/58/83/1121185883.db2.gz	ADYMHQAXMGNIGG-UHFFFAOYSA-N	-1	0	296.298	3.746	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])c(F)c2)s1	ZINC001175154922	1121186447	/nfs/dbraw/zinc/18/64/47/1121186447.db2.gz	YNNBPSIECINKPS-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(Cl)ccc1F	ZINC001175298897	1121260956	/nfs/dbraw/zinc/26/09/56/1121260956.db2.gz	SPZRVBWFEIDUQG-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2)c2cccnc12	ZINC001175335074	1121287737	/nfs/dbraw/zinc/28/77/37/1121287737.db2.gz	RXGLTXXIPZYERW-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
N#Cc1ccc2ccccc2c1Nc1cncc(C(=O)[O-])c1	ZINC001175842218	1121470239	/nfs/dbraw/zinc/47/02/39/1121470239.db2.gz	VJWABCUBTVONDA-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)c(F)c1Cl	ZINC001176442043	1121623854	/nfs/dbraw/zinc/62/38/54/1121623854.db2.gz	ZMJGIFXNUPTFAX-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
N#Cc1cc(Nc2ccccc2Cl)c([O-])cc1F	ZINC001176552038	1121652326	/nfs/dbraw/zinc/65/23/26/1121652326.db2.gz	JEUMQMKNVOGEDW-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F	ZINC001176597521	1121667457	/nfs/dbraw/zinc/66/74/57/1121667457.db2.gz	SPDMBCIHFNMYDP-QPJJXVBHSA-N	-1	0	296.301	3.847	20	30		CHEDRM
N#Cc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1F	ZINC001176671786	1121672983	/nfs/dbraw/zinc/67/29/83/1121672983.db2.gz	OWNGCVKDEKIXDI-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
Cc1sc(Nc2ccc(C(=O)[O-])cc2)c(C#N)c1C	ZINC001176708386	1121688870	/nfs/dbraw/zinc/68/88/70/1121688870.db2.gz	ZTARQTPYOZBJJJ-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2)c(F)c1Cl	ZINC001176715172	1121691818	/nfs/dbraw/zinc/69/18/18/1121691818.db2.gz	JXYFLBROXLPCMS-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CCCCNN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727651315	1121728714	/nfs/dbraw/zinc/72/87/14/1121728714.db2.gz	SRAWZDIXVCLOSN-UHFFFAOYSA-N	-1	0	275.179	3.813	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NNC1CCCC1	ZINC000727652607	1121731064	/nfs/dbraw/zinc/73/10/64/1121731064.db2.gz	TVUDKHUFEWXCSD-UHFFFAOYSA-N	-1	0	273.163	3.565	20	30		CHEDRM
CCCC(N=Nc1nc(C)cc(=O)[n-]1)C1CCCCC1	ZINC000727779408	1121740025	/nfs/dbraw/zinc/74/00/25/1121740025.db2.gz	ASVKTEMHXZRHRM-UHFFFAOYSA-N	-1	0	276.384	3.639	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1F	ZINC000729151819	1121760581	/nfs/dbraw/zinc/76/05/81/1121760581.db2.gz	YBLMCACTUAMFSS-UTCJRWHESA-N	-1	0	274.266	3.875	20	30		CHEDRM
CCC(Cc1cccs1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000730945478	1121836605	/nfs/dbraw/zinc/83/66/05/1121836605.db2.gz	KNGZTLLJEDSHAQ-UHFFFAOYSA-N	-1	0	288.372	3.867	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)C2CCCCC2)c1	ZINC000774113919	1122128500	/nfs/dbraw/zinc/12/85/00/1122128500.db2.gz	IZFGWXHTAREKBN-KTKRTIGZSA-N	-1	0	258.317	3.547	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000774137011	1122129958	/nfs/dbraw/zinc/12/99/58/1122129958.db2.gz	DPLXSYUPQJFUPD-VOTSOKGWSA-N	-1	0	280.323	3.898	20	30		CHEDRM
C[C@@H](C#N)c1ccc(NC(=O)Cc2ccc([S-])cc2)cc1	ZINC001183190019	1122210566	/nfs/dbraw/zinc/21/05/66/1122210566.db2.gz	YRZFWFXRECJPGG-LBPRGKRZSA-N	-1	0	296.395	3.784	20	30		CHEDRM
CCCC#CC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-]	ZINC001184272570	1122263876	/nfs/dbraw/zinc/26/38/76/1122263876.db2.gz	BXRSZXWKSOEOBQ-UHFFFAOYSA-N	-1	0	286.158	3.749	20	30		CHEDRM
CCc1cccc(CC)c1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184245438	1122264574	/nfs/dbraw/zinc/26/45/74/1122264574.db2.gz	QZKYEQUJGDYBCA-UHFFFAOYSA-N	-1	0	296.390	3.800	20	30		CHEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1cc2ccccc2s1	ZINC001184240623	1122264936	/nfs/dbraw/zinc/26/49/36/1122264936.db2.gz	DAVUPTRRBQCDPX-UHFFFAOYSA-N	-1	0	296.371	3.890	20	30		CHEDRM
C=CCN(CCc1ccccc1)C(=O)c1ccc(C)cc1O	ZINC000436539233	1122560638	/nfs/dbraw/zinc/56/06/38/1122560638.db2.gz	LGKZQLWYUUUKEY-UHFFFAOYSA-N	-1	0	295.382	3.572	20	30		CHEDRM
C=CCC(C)(C)c1noc(-c2cc(Cl)ccc2[O-])n1	ZINC000436568475	1122562218	/nfs/dbraw/zinc/56/22/18/1122562218.db2.gz	XQZMANVCEUQOSB-UHFFFAOYSA-N	-1	0	278.739	3.949	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436652953	1122568078	/nfs/dbraw/zinc/56/80/78/1122568078.db2.gz	RRYOMVUSCJZCTM-NSHDSACASA-N	-1	0	275.348	3.526	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1	ZINC000439899135	1122813665	/nfs/dbraw/zinc/81/36/65/1122813665.db2.gz	VEIBBOXMHUCBFO-NSHDSACASA-N	-1	0	275.348	3.542	20	30		CHEDRM
N#Cc1ccc(F)c(-c2cc(F)c([O-])c(Cl)c2)c1	ZINC001250633728	1122865744	/nfs/dbraw/zinc/86/57/44/1122865744.db2.gz	DELDBEQGMPYDSY-UHFFFAOYSA-N	-1	0	265.646	3.862	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2cc3ccccc3s2)c([O-])c1	ZINC001195733329	1122882266	/nfs/dbraw/zinc/88/22/66/1122882266.db2.gz	JZEQFVGQXDNWNM-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2cccc3c2CCCC3)n1	ZINC000519583195	1122911129	/nfs/dbraw/zinc/91/11/29/1122911129.db2.gz	LDXQZWAXXVHUMR-HNNXBMFYSA-N	-1	0	296.395	3.820	20	30		CHEDRM
N#Cc1ccc([O-])c(-c2nc3c(ccc(F)c3Cl)[nH]2)c1	ZINC001251180368	1122952472	/nfs/dbraw/zinc/95/24/72/1122952472.db2.gz	RCPLLNMWAIUUEL-UHFFFAOYSA-N	-1	0	287.681	3.600	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000330501517	1123119833	/nfs/dbraw/zinc/11/98/33/1123119833.db2.gz	AJUQQDKCNRRHNP-LLVKDONJSA-N	-1	0	288.372	3.966	20	30		CHEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1ncco1	ZINC001201833674	1123153806	/nfs/dbraw/zinc/15/38/06/1123153806.db2.gz	AXZIBJPKRBVLHA-UHFFFAOYSA-N	-1	0	288.413	3.557	20	30		CHEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1ccon1	ZINC001201831414	1123154002	/nfs/dbraw/zinc/15/40/02/1123154002.db2.gz	RGHBWZYFXXMVBC-UHFFFAOYSA-N	-1	0	288.413	3.557	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000474444492	1123531005	/nfs/dbraw/zinc/53/10/05/1123531005.db2.gz	HPSWCGFLEBSFSB-QMMMGPOBSA-N	-1	0	271.719	3.726	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CC1CCOCC1	ZINC000194613792	1129136840	/nfs/dbraw/zinc/13/68/40/1129136840.db2.gz	NGNPRMOXGQXFRD-LZYBPNLTSA-N	-1	0	288.174	3.545	20	30		CHEDRM
N#Cc1c(O)ccc(OC2CCCCCCC2)c1C#N	ZINC001227621800	1123830245	/nfs/dbraw/zinc/83/02/45/1123830245.db2.gz	GFLFIXNIVMTAPG-UHFFFAOYSA-N	-1	0	270.332	3.627	20	30		CHEDRM
Cc1cc(C)cc(NN=Cc2c(F)ccc(O)c2F)c1	ZINC000794484585	1123846847	/nfs/dbraw/zinc/84/68/47/1123846847.db2.gz	WGPWLLXVVMFJCX-UHFFFAOYSA-N	-1	0	276.286	3.733	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(F)c(Cl)c1	ZINC000863179495	1123850489	/nfs/dbraw/zinc/85/04/89/1123850489.db2.gz	XQOLXKNQFIFULU-UHFFFAOYSA-N	-1	0	298.745	3.912	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cccs1	ZINC000794927522	1124074611	/nfs/dbraw/zinc/07/46/11/1124074611.db2.gz	SFJUVQQFTSXCRR-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])cc3F)cc2)CC1	ZINC001239262078	1131309259	/nfs/dbraw/zinc/30/92/59/1131309259.db2.gz	OORJEXBMGUUUMP-UHFFFAOYSA-N	-1	0	281.286	3.746	20	30		CHEDRM
N#Cc1ccc2nccc(-c3ccc(C(=O)[O-])cc3F)c2c1	ZINC001239256225	1131307945	/nfs/dbraw/zinc/30/79/45/1131307945.db2.gz	LAAYLRXQGFCCTB-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
CCn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001123337433	1131311519	/nfs/dbraw/zinc/31/15/19/1131311519.db2.gz	QNURJRKHVZFWOK-PCRWRXJSSA-N	-1	0	289.354	3.513	20	30		CHEDRM
CC(C)c1ncc(/C=C/C(=O)c2ccccc2[O-])s1	ZINC000125617560	1124907425	/nfs/dbraw/zinc/90/74/25/1124907425.db2.gz	TVYHPBLXIGKBKK-BQYQJAHWSA-N	-1	0	273.357	3.868	20	30		CHEDRM
N#CCc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1F	ZINC001239346488	1131320469	/nfs/dbraw/zinc/32/04/69/1131320469.db2.gz	SGRZSVAULUAYNE-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239362557	1131321803	/nfs/dbraw/zinc/32/18/03/1131321803.db2.gz	KYSBQGLXIQUCGX-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
CC(C)CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000760217573	1125303937	/nfs/dbraw/zinc/30/39/37/1125303937.db2.gz	HBAPMWRBONLDOL-UHFFFAOYSA-N	-1	0	297.358	3.642	20	30		CHEDRM
N#CC(=C([O-])c1cccc(F)c1)c1nc2ccccc2s1	ZINC000038141391	1125428997	/nfs/dbraw/zinc/42/89/97/1125428997.db2.gz	ULZMHRFXTFJWRY-GFCCVEGCSA-N	-1	0	296.326	3.925	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1F	ZINC000041543362	1125434499	/nfs/dbraw/zinc/43/44/99/1125434499.db2.gz	ICQLKPPCVOGYBS-LBPRGKRZSA-N	-1	0	294.285	3.765	20	30		CHEDRM
Cc1ccsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041546276	1125434599	/nfs/dbraw/zinc/43/45/99/1125434599.db2.gz	YJFGNTSMRXBLRL-JTQLQIEISA-N	-1	0	282.324	3.688	20	30		CHEDRM
CCCCCCCS(=O)(=O)[N-]c1noc2ccccc21	ZINC000795588854	1129378415	/nfs/dbraw/zinc/37/84/15/1129378415.db2.gz	XIPUBFUCNZTVFS-UHFFFAOYSA-N	-1	0	296.392	3.540	20	30		CHEDRM
O=C(/C=C/c1nccc2ccccc12)c1ccc([O-])c(F)c1	ZINC000740765705	1129419098	/nfs/dbraw/zinc/41/90/98/1129419098.db2.gz	OCJSKQSJZFUGFM-SOFGYWHQSA-N	-1	0	293.297	3.976	20	30		CHEDRM
CCCCCC(CCCCC)N=Nc1nnc(C)c(=O)[n-]1	ZINC000743426362	1129522825	/nfs/dbraw/zinc/52/28/25/1129522825.db2.gz	OJHNEEOYAKNLGD-UHFFFAOYSA-N	-1	0	293.415	3.814	20	30		CHEDRM
C=C(C)CCc1ccccc1NCc1cc(=O)[n-]o1	ZINC001169484924	1129729143	/nfs/dbraw/zinc/72/91/43/1129729143.db2.gz	BULLFYMINNYVGI-UHFFFAOYSA-N	-1	0	258.321	3.501	20	30		CHEDRM
N#CC1(c2ccc(NCc3cc(=O)[n-]o3)cc2)CCCCC1	ZINC001169485445	1129729681	/nfs/dbraw/zinc/72/96/81/1129729681.db2.gz	NCAWJGZZVSTKEE-UHFFFAOYSA-N	-1	0	297.358	3.718	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCCF)cc1	ZINC000800803607	1129889327	/nfs/dbraw/zinc/88/93/27/1129889327.db2.gz	JEYQDAHXPBAACP-LLVKDONJSA-N	-1	0	278.327	3.703	20	30		CHEDRM
Cc1[nH]c(C=NNc2cccc3ccccc32)cc1C(=O)[O-]	ZINC000800811335	1129890504	/nfs/dbraw/zinc/89/05/04/1129890504.db2.gz	QJBFVUYSPHYMFA-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
N#Cc1cc(-c2cscc2CC(=O)[O-])ccc1C1CC1	ZINC000901081056	1129909336	/nfs/dbraw/zinc/90/93/36/1129909336.db2.gz	XJQMQIKOGXXCNI-UHFFFAOYSA-N	-1	0	283.352	3.791	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2s1	ZINC000802035851	1129968620	/nfs/dbraw/zinc/96/86/20/1129968620.db2.gz	MGWMDZNHOXJCTK-ABZNLYFFSA-N	-1	0	293.351	3.514	20	30		CHEDRM
CCc1ccc([C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748411298	1130231446	/nfs/dbraw/zinc/23/14/46/1130231446.db2.gz	NMAYQQGSRXVINV-LBPRGKRZSA-N	-1	0	294.354	3.568	20	30		CHEDRM
N#Cc1c(F)cc(-c2cccc(/C=C/C(=O)[O-])c2)cc1F	ZINC001240549354	1130352577	/nfs/dbraw/zinc/35/25/77/1130352577.db2.gz	DANWACDHVOTNKT-SNAWJCMRSA-N	-1	0	285.249	3.601	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240550643	1130353919	/nfs/dbraw/zinc/35/39/19/1130353919.db2.gz	ITDCYVHHISSOIW-SNAWJCMRSA-N	-1	0	288.306	3.804	20	30		CHEDRM
O=C(/C=C/c1cncc2ccccc12)c1ccc(O)cc1[O-]	ZINC000772801189	1130459465	/nfs/dbraw/zinc/45/94/65/1130459465.db2.gz	JTNATVIIVKXRII-VMPITWQZSA-N	-1	0	291.306	3.542	20	30		CHEDRM
Cc1c(C#N)c(-c2ccc(C(=O)[O-])s2)nc2ccccc12	ZINC001240844711	1130490198	/nfs/dbraw/zinc/49/01/98/1130490198.db2.gz	YKMXDRIGHJBCTR-UHFFFAOYSA-N	-1	0	294.335	3.842	20	30		CHEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])s2)c2sccc21	ZINC001240846625	1130491114	/nfs/dbraw/zinc/49/11/14/1130491114.db2.gz	LXPHIPYEZMFKMJ-UHFFFAOYSA-N	-1	0	286.337	3.595	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)c(F)c1	ZINC001241002494	1130559377	/nfs/dbraw/zinc/55/93/77/1130559377.db2.gz	DSMPJKZEEMKTAX-UHFFFAOYSA-N	-1	0	269.275	3.679	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc([C@H](C)C#N)cc1	ZINC001241002489	1130559577	/nfs/dbraw/zinc/55/95/77/1130559577.db2.gz	DMIWFAUPOFCIIL-GFCCVEGCSA-N	-1	0	265.312	3.987	20	30		CHEDRM
Cc1cc([N+](=O)[O-])ccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000758061879	1130595970	/nfs/dbraw/zinc/59/59/70/1130595970.db2.gz	FAXPPBXOKCTCGD-CLFYSBASSA-N	-1	0	283.283	3.505	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NNC2CCCC2)cc1Cl	ZINC000758121153	1130598341	/nfs/dbraw/zinc/59/83/41/1130598341.db2.gz	UKDJKOZPODAIOY-UHFFFAOYSA-N	-1	0	273.163	3.565	20	30		CHEDRM
C=CCCCCCCCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000811590642	1130623678	/nfs/dbraw/zinc/62/36/78/1130623678.db2.gz	BDCSGUNUTUNART-UHFFFAOYSA-N	-1	0	297.345	3.927	20	30		CHEDRM
Nc1ccc(-c2ccccc2C=NO)c(C(F)(F)F)c1	ZINC001244759943	1130635290	/nfs/dbraw/zinc/63/52/90/1130635290.db2.gz	JDAIEXGYMQUTAA-UHFFFAOYSA-N	-1	0	280.249	3.763	20	30		CHEDRM
Cc1ccsc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759090169	1130636170	/nfs/dbraw/zinc/63/61/70/1130636170.db2.gz	JODSJIAUMPIRCE-PLNGDYQASA-N	-1	0	289.312	3.566	20	30		CHEDRM
CCCn1nc(C)c(/C=C/C(=O)c2ccc(C)cc2[O-])c1C	ZINC000759652337	1130667195	/nfs/dbraw/zinc/66/71/95/1130667195.db2.gz	GPUIAIPJQLTHQI-CMDGGOBGSA-N	-1	0	298.386	3.820	20	30		CHEDRM
C=CCC[C@@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822397	1130678644	/nfs/dbraw/zinc/67/86/44/1130678644.db2.gz	WNCADOPNLPAYKV-CYBMUJFWSA-N	-1	0	288.343	3.931	20	30		CHEDRM
CO[C@@H](c1ccccc1)C(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000782096224	1130754982	/nfs/dbraw/zinc/75/49/82/1130754982.db2.gz	IIEACRYDUAWNCA-MRXNPFEDSA-N	-1	0	298.342	3.560	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235623934	1130758352	/nfs/dbraw/zinc/75/83/52/1130758352.db2.gz	XSXFISWLKJZNPP-ZZXKWVIFSA-N	-1	0	288.306	3.804	20	30		CHEDRM
O=C(/C=C\c1ccc2cnccc2c1)c1cc(F)ccc1[O-]	ZINC000782348593	1130775304	/nfs/dbraw/zinc/77/53/04/1130775304.db2.gz	SZVWHYOZGFKAJZ-DJWKRKHSSA-N	-1	0	293.297	3.976	20	30		CHEDRM
COc1ccc(-c2c(F)cc(F)c([O-])c2F)cc1CC#N	ZINC001235995521	1130824217	/nfs/dbraw/zinc/82/42/17/1130824217.db2.gz	OSWNREZXFOXIES-UHFFFAOYSA-N	-1	0	293.244	3.551	20	30		CHEDRM
N#CCOc1cc(F)ccc1-c1c(F)cc(F)c([O-])c1F	ZINC001235993873	1130824519	/nfs/dbraw/zinc/82/45/19/1130824519.db2.gz	GSGKLMPDSWVHFR-UHFFFAOYSA-N	-1	0	297.207	3.518	20	30		CHEDRM
Cc1cc(F)cc(-c2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001235998339	1130826264	/nfs/dbraw/zinc/82/62/64/1130826264.db2.gz	LPANKRYGAICJAD-UHFFFAOYSA-N	-1	0	281.208	3.796	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001236002241	1130829277	/nfs/dbraw/zinc/82/92/77/1130829277.db2.gz	LLUGKGQLACOLMP-UHFFFAOYSA-N	-1	0	288.228	3.829	20	30		CHEDRM
N#Cc1ccc(-c2c(F)cc(F)c([O-])c2F)c2cc[nH]c21	ZINC001236002090	1130829634	/nfs/dbraw/zinc/82/96/34/1130829634.db2.gz	JULMJELIPYHCDA-UHFFFAOYSA-N	-1	0	288.228	3.829	20	30		CHEDRM
N#CCc1cc2ccccc2nc1-c1ccc(C(=O)[O-])cc1	ZINC001236056114	1130841876	/nfs/dbraw/zinc/84/18/76/1130841876.db2.gz	BOOARMXHTLSTCE-UHFFFAOYSA-N	-1	0	288.306	3.666	20	30		CHEDRM
C[Si](C)(C)C#Cc1ccc(-c2ccc(C(=O)[O-])cc2)cn1	ZINC001236064791	1130845522	/nfs/dbraw/zinc/84/55/22/1130845522.db2.gz	WKMCUKLYVKTPBP-UHFFFAOYSA-N	-1	0	295.414	3.676	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2Cl)o1	ZINC000783701775	1130848758	/nfs/dbraw/zinc/84/87/58/1130848758.db2.gz	LUNQUTCFOMNGOM-AATRIKPKSA-N	-1	0	290.702	3.836	20	30		CHEDRM
Cc1cccc(NN=Cc2ccc(C(=O)[O-])cc2Cl)c1	ZINC000783772517	1130853272	/nfs/dbraw/zinc/85/32/72/1130853272.db2.gz	KIHSTNCVPQCIHO-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
CSc1ccc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000814680630	1130894670	/nfs/dbraw/zinc/89/46/70/1130894670.db2.gz	ANRGCEMOWUUEFR-UHFFFAOYSA-N	-1	0	292.385	3.614	20	30		CHEDRM
CC(N=Nc1cccc(F)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814814798	1130915796	/nfs/dbraw/zinc/91/57/96/1130915796.db2.gz	AKBKMOSJMAJMHT-RISCZKNCSA-N	-1	0	292.354	3.751	20	30		CHEDRM
C[C@H]1CC(N=Nc2cccc3ncccc23)CC[C@@H]1C(=O)[O-]	ZINC000814804149	1130918436	/nfs/dbraw/zinc/91/84/36/1130918436.db2.gz	BYQGWPLCNZLZPE-AAEUAGOBSA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1ccc(F)c(-c2ncc(C(F)(F)F)cc2C#N)c1[O-]	ZINC001236393330	1130926448	/nfs/dbraw/zinc/92/64/48/1130926448.db2.gz	RUTXFTOXFQDURK-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
COc1ccc(N=NC(C)CCCCCCC(=O)[O-])cc1	ZINC000814885125	1130929749	/nfs/dbraw/zinc/92/97/49/1130929749.db2.gz	NSECBUOQGKXWGM-UHFFFAOYSA-N	-1	0	292.379	3.908	20	30		CHEDRM
CCC(CC)CNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814906267	1130934112	/nfs/dbraw/zinc/93/41/12/1130934112.db2.gz	MMLRSGPBYWWRSE-WCQYABFASA-N	-1	0	282.428	3.525	20	30		CHEDRM
O=C([O-])c1cccc(C=NOC2CCCCC2)c1Cl	ZINC000814908771	1130934953	/nfs/dbraw/zinc/93/49/53/1130934953.db2.gz	AXRKTOVUOTYRCF-UHFFFAOYSA-N	-1	0	281.739	3.721	20	30		CHEDRM
C[C@H]1C(=NNCC2(C)CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814937984	1130939566	/nfs/dbraw/zinc/93/95/66/1130939566.db2.gz	SWFLPVJEEMEXEF-STQMWFEESA-N	-1	0	294.439	3.669	20	30		CHEDRM
CC(N=N[C@@H]1CCCC1(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814917830	1130942099	/nfs/dbraw/zinc/94/20/99/1130942099.db2.gz	STIKAEHOUJAAEI-HZSPNIEDSA-N	-1	0	294.439	3.668	20	30		CHEDRM
CC1(C)CCC[C@H]1NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814917925	1130942498	/nfs/dbraw/zinc/94/24/98/1130942498.db2.gz	WDBFIFWGIRDJQE-GFCCVEGCSA-N	-1	0	294.782	3.540	20	30		CHEDRM
CC[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000748005574	1130997168	/nfs/dbraw/zinc/99/71/68/1130997168.db2.gz	WMKSLNOZLYCXLG-AWEZNQCLSA-N	-1	0	294.354	3.786	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000798370835	1131034278	/nfs/dbraw/zinc/03/42/78/1131034278.db2.gz	YZHUSXJKLOCXGL-SOFGYWHQSA-N	-1	0	284.359	3.683	20	30		CHEDRM
FC(F)(F)C=CNN=c1[n-]c(C(F)(F)F)cs1	ZINC000817326004	1131153224	/nfs/dbraw/zinc/15/32/24/1131153224.db2.gz	RDVFQGSADMGZID-UHFFFAOYSA-N	-1	0	277.193	3.512	20	30		CHEDRM
C=CC[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)C1	ZINC000844564806	1131580542	/nfs/dbraw/zinc/58/05/42/1131580542.db2.gz	HDJHTCQHMPEFAO-LLVKDONJSA-N	-1	0	258.321	3.529	20	30		CHEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000844562709	1131580613	/nfs/dbraw/zinc/58/06/13/1131580613.db2.gz	JEQJJYLBOZANKY-LLVKDONJSA-N	-1	0	258.321	3.529	20	30		CHEDRM
O=C1c2ccc(O)cc2O/C1=C\c1ccc(Cl)s1	ZINC000834808392	1131706473	/nfs/dbraw/zinc/70/64/73/1131706473.db2.gz	ZNMWEZGZORJRSD-WDZFZDKYSA-N	-1	0	278.716	3.723	20	30		CHEDRM
N#C[C@@H]1CCCCN1Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140832106	1131941553	/nfs/dbraw/zinc/94/15/53/1131941553.db2.gz	AMFCGZCATBDZGQ-JTQLQIEISA-N	-1	0	285.174	3.577	20	30		CHEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC001140834462	1131942114	/nfs/dbraw/zinc/94/21/14/1131942114.db2.gz	MGJQTVUMFCXGLS-JTQLQIEISA-N	-1	0	299.201	3.825	20	30		CHEDRM
O=C1c2ccc(F)cc2O/C1=C/c1ccc([O-])c(Cl)c1	ZINC000773171251	1131971800	/nfs/dbraw/zinc/97/18/00/1131971800.db2.gz	IVXZJVLUACMYLW-MKMNVTDBSA-N	-1	0	290.677	3.801	20	30		CHEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1cccc2oc(=S)[n-]c21	ZINC001231064588	1132250378	/nfs/dbraw/zinc/25/03/78/1132250378.db2.gz	GLDYWXHVHHTFLG-JTQLQIEISA-N	-1	0	291.448	3.765	20	30		CHEDRM
C[C@H](CC(C)(C)S)Oc1cccc2oc(=S)[n-]c21	ZINC001231064101	1132250797	/nfs/dbraw/zinc/25/07/97/1132250797.db2.gz	ARXKASLJGWERGK-MRVPVSSYSA-N	-1	0	283.418	3.982	20	30		CHEDRM
N#CCC(=O)c1ccccc1O[C@@H](CC#N)c1ccccc1	ZINC001233524430	1132631623	/nfs/dbraw/zinc/63/16/23/1132631623.db2.gz	NVWVDNQRVBRBDK-KRWDZBQOSA-N	-1	0	290.322	3.817	20	30		CHEDRM
C=C[C@@H](CCCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835495	1132688047	/nfs/dbraw/zinc/68/80/47/1132688047.db2.gz	ZHCGOUWEPILFKS-LBPRGKRZSA-N	-1	0	274.316	3.622	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1C#N	ZINC001233919263	1132698474	/nfs/dbraw/zinc/69/84/74/1132698474.db2.gz	CKWAPZSMXVIGBF-BFHYXJOUSA-N	-1	0	286.375	3.705	20	30		CHEDRM
CC(C)Oc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001174107990	1132723798	/nfs/dbraw/zinc/72/37/98/1132723798.db2.gz	WLGUVBWQXDWZPW-UHFFFAOYSA-N	-1	0	274.345	3.856	20	30		CHEDRM
CC(C)Oc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001174114490	1132729696	/nfs/dbraw/zinc/72/96/96/1132729696.db2.gz	YBGGIYYBIOFWBY-UHFFFAOYSA-N	-1	0	286.306	3.934	20	30		CHEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1Cl	ZINC001174152899	1132750347	/nfs/dbraw/zinc/75/03/47/1132750347.db2.gz	IVGOFANKPDMHPK-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cc(Nc2cccc(N3CCCC3)c2)c([O-])cc1F	ZINC001174488574	1132860305	/nfs/dbraw/zinc/86/03/05/1132860305.db2.gz	QDBHSXGQJOQRNV-UHFFFAOYSA-N	-1	0	297.333	3.747	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174499179	1132864322	/nfs/dbraw/zinc/86/43/22/1132864322.db2.gz	MZRFCUDMZNARQR-AATRIKPKSA-N	-1	0	278.311	3.708	20	30		CHEDRM
Cc1cc(F)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001174531304	1132893919	/nfs/dbraw/zinc/89/39/19/1132893919.db2.gz	PDOLRBISSPVTAD-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
C#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001174501108	1132903256	/nfs/dbraw/zinc/90/32/56/1132903256.db2.gz	ZHHAQFLSMDPLHI-DHZHZOJOSA-N	-1	0	263.296	3.509	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203293638	1133311055	/nfs/dbraw/zinc/31/10/55/1133311055.db2.gz	VTZSCVJUXFUHEY-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)s1	ZINC001203316174	1133314897	/nfs/dbraw/zinc/31/48/97/1133314897.db2.gz	JSTSKIYYCJGFPL-UHFFFAOYSA-N	-1	0	294.282	3.648	20	30		CHEDRM
O=C(CCc1nc(-c2ccccc2Cl)no1)C1=CC=C[CH]1	ZINC001204642669	1133471294	/nfs/dbraw/zinc/47/12/94/1133471294.db2.gz	GFXHGEDVVUXKHW-UHFFFAOYSA-N	-1	0	299.737	3.592	20	30		CHEDRM
Cc1cc(-c2ccc(O)cc2C(F)(F)F)nc(C)c1C#N	ZINC001205087974	1133526692	/nfs/dbraw/zinc/52/66/92/1133526692.db2.gz	YXGXWSGDVMTEGT-UHFFFAOYSA-N	-1	0	292.260	3.962	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1c(F)cc(F)c(F)c1F	ZINC001205198632	1133544868	/nfs/dbraw/zinc/54/48/68/1133544868.db2.gz	QGULABHYZNCGEB-UHFFFAOYSA-N	-1	0	269.197	3.718	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2ccsc2C(=O)[O-])cc1	ZINC001205579498	1133590435	/nfs/dbraw/zinc/59/04/35/1133590435.db2.gz	NXWBNNLEXNINPB-UHFFFAOYSA-N	-1	0	271.341	3.914	20	30		CHEDRM
C=C[C@@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001205690032	1133604078	/nfs/dbraw/zinc/60/40/78/1133604078.db2.gz	LERWORQTFTWTLU-MRXNPFEDSA-N	-1	0	268.312	3.829	20	30		CHEDRM
Cc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c(C)c1C#N	ZINC001206045261	1133648197	/nfs/dbraw/zinc/64/81/97/1133648197.db2.gz	NFBSDUJUYARPEC-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
COc1cc(Nc2ccc(C#N)cc2OC)ccc1[S-]	ZINC001209432387	1134017975	/nfs/dbraw/zinc/01/79/75/1134017975.db2.gz	WZLDFIZPSLKAFH-UHFFFAOYSA-N	-1	0	286.356	3.608	20	30		CHEDRM
COc1ccc(Nc2ccc([C@@H](C)C#N)cc2)cc1C(=O)[O-]	ZINC001209903509	1134099401	/nfs/dbraw/zinc/09/94/01/1134099401.db2.gz	WNGNKRGCDZXUBY-NSHDSACASA-N	-1	0	296.326	3.764	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210006443	1134120790	/nfs/dbraw/zinc/12/07/90/1134120790.db2.gz	BMYUYWRCQUTNKA-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(F)ccc1C#N	ZINC001210007428	1134121663	/nfs/dbraw/zinc/12/16/63/1134121663.db2.gz	FQUFMFGEHVNPSN-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C#Cc1ccc(Nc2ccc([S-])c(OC)c2)cc1	ZINC001210119190	1134152184	/nfs/dbraw/zinc/15/21/84/1134152184.db2.gz	DEYRZOSDYFNMIE-UHFFFAOYSA-N	-1	0	255.342	3.709	20	30		CHEDRM
COc1cccc(Nc2ccccc2[S-])c1C#N	ZINC001210124112	1134152754	/nfs/dbraw/zinc/15/27/54/1134152754.db2.gz	NFOLKKUICNMBQD-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
N#Cc1cc(Nc2ccc(OC(F)F)cc2)c([O-])cc1F	ZINC001210330964	1134194704	/nfs/dbraw/zinc/19/47/04/1134194704.db2.gz	RGTSHHFZOIKOPI-UHFFFAOYSA-N	-1	0	294.232	3.748	20	30		CHEDRM
C[C@@H]1CC(=O)C=C(Nc2c(Cl)ccc([O-])c2Cl)C1	ZINC001210773248	1134293636	/nfs/dbraw/zinc/29/36/36/1134293636.db2.gz	UBQUYSIMDYFHTO-ZETCQYMHSA-N	-1	0	286.158	3.994	20	30		CHEDRM
CC(C)(O)C#Cc1cccc(Nc2cccc([S-])c2)c1	ZINC001210948158	1134336925	/nfs/dbraw/zinc/33/69/25/1134336925.db2.gz	HKXZHEVHRQKZSX-UHFFFAOYSA-N	-1	0	283.396	3.841	20	30		CHEDRM
COc1cc(Nc2cccc([S-])c2)ccc1C#N	ZINC001210949480	1134338391	/nfs/dbraw/zinc/33/83/91/1134338391.db2.gz	FWPDLSKZZQHRPN-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213635514	1134472194	/nfs/dbraw/zinc/47/21/94/1134472194.db2.gz	OPZNVUHLVBBGAS-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214486773	1134543695	/nfs/dbraw/zinc/54/36/95/1134543695.db2.gz	YOIDVUGCZRURFK-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
COc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1C#N	ZINC001214490039	1134544853	/nfs/dbraw/zinc/54/48/53/1134544853.db2.gz	NVKANTZJFCBMLZ-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cccc(O)c1Nc1c(F)c([O-])ccc1Cl	ZINC001214563770	1134552308	/nfs/dbraw/zinc/55/23/08/1134552308.db2.gz	RWWAUSFSLFLGSP-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1c(Cl)ccc([O-])c1F	ZINC001214561316	1134552643	/nfs/dbraw/zinc/55/26/43/1134552643.db2.gz	FWLXUTJEZOBYGW-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1sccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214795860	1134573088	/nfs/dbraw/zinc/57/30/88/1134573088.db2.gz	AHYQWYZXETUSIT-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214790974	1134573484	/nfs/dbraw/zinc/57/34/84/1134573484.db2.gz	DOYMEYOTIVEMSY-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
COc1ccc(Nc2ccccc2[S-])cc1C#N	ZINC001215000957	1134593364	/nfs/dbraw/zinc/59/33/64/1134593364.db2.gz	HMLIMUMXWLQWKZ-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1csc(Nc2ccc(F)c(C(=O)[O-])c2F)c1C#N	ZINC001215266290	1134613029	/nfs/dbraw/zinc/61/30/29/1134613029.db2.gz	OGNNEOUQFMSWEO-UHFFFAOYSA-N	-1	0	294.282	3.648	20	30		CHEDRM
Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2F)c1C#N	ZINC001215276775	1134613960	/nfs/dbraw/zinc/61/39/60/1134613960.db2.gz	ZYOBQKDCCHNQFX-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccsc2C(=O)[O-])cc1	ZINC001215394282	1134622775	/nfs/dbraw/zinc/62/27/75/1134622775.db2.gz	SHTOCSFYHPMSLE-VIFPVBQESA-N	-1	0	272.329	3.817	20	30		CHEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])c(F)c1Cl	ZINC001215398027	1134623590	/nfs/dbraw/zinc/62/35/90/1134623590.db2.gz	XCYLSIYXQSICSS-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)c(C(=O)[O-])c2F)cs1	ZINC001215695599	1134660840	/nfs/dbraw/zinc/66/08/40/1134660840.db2.gz	GNGFKBZNIZOQPU-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
CCOc1ccc(C)c(F)c1Nc1scc([O-])c1C#N	ZINC001215761706	1134678900	/nfs/dbraw/zinc/67/89/00/1134678900.db2.gz	LVUAEORZBSQUEA-UHFFFAOYSA-N	-1	0	292.335	3.915	20	30		CHEDRM
CSc1cccc(Nc2scc([O-])c2C#N)c1F	ZINC001215867773	1134707537	/nfs/dbraw/zinc/70/75/37/1134707537.db2.gz	OLRURYMMCRLIFL-UHFFFAOYSA-N	-1	0	280.349	3.930	20	30		CHEDRM
N#Cc1cccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1	ZINC001215916387	1134718299	/nfs/dbraw/zinc/71/82/99/1134718299.db2.gz	BWJGQMFNPIVBEL-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)cc2F)cc(C)c1C(=O)[O-]	ZINC001216311962	1134846353	/nfs/dbraw/zinc/84/63/53/1134846353.db2.gz	WSRUZATVFQRAJI-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1c(Nc2ccc(F)c(C#N)c2F)cccc1C(=O)[O-]	ZINC001216661946	1134941530	/nfs/dbraw/zinc/94/15/30/1134941530.db2.gz	VEXXEXJGDYMBLK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCc1ccc(-c2noc(-c3ccc(C#N)cc3[O-])n2)cc1	ZINC001217038782	1134959435	/nfs/dbraw/zinc/95/94/35/1134959435.db2.gz	GWJIBCLBROIMGM-UHFFFAOYSA-N	-1	0	291.310	3.543	20	30		CHEDRM
C=C(C)c1ccc(-c2c(F)cc(C(=O)[O-])cc2F)nc1	ZINC001222392071	1135235818	/nfs/dbraw/zinc/23/58/18/1135235818.db2.gz	MCSHQFKFWKPTEF-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
O=C([O-])C1(c2ccc(-c3ccc(CS)cc3)cc2)CC1	ZINC001222694279	1135264443	/nfs/dbraw/zinc/26/44/43/1135264443.db2.gz	KEIAPPJTQOEDKJ-UHFFFAOYSA-N	-1	0	284.380	3.900	20	30		CHEDRM
C=C[C@@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940344	1135286061	/nfs/dbraw/zinc/28/60/61/1135286061.db2.gz	RPLLGTQNUNWBKX-QOYDFYKXSA-N	-1	0	275.682	3.702	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1nccs1	ZINC001223593197	1135363411	/nfs/dbraw/zinc/36/34/11/1135363411.db2.gz	IPSBAVHUTHFBOS-ACKYCBKBSA-N	-1	0	282.752	3.710	20	30		CHEDRM
C=CC[C@H](CCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223746330	1135378243	/nfs/dbraw/zinc/37/82/43/1135378243.db2.gz	PVAUNZDWYXIOBS-CQSZACIVSA-N	-1	0	298.404	3.585	20	30		CHEDRM
C=CCC[C@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891750	1135394559	/nfs/dbraw/zinc/39/45/59/1135394559.db2.gz	RWZMGWDHBWLAQJ-ICDILTBESA-N	-1	0	293.363	3.601	20	30		CHEDRM
CCC[C@@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)C	ZINC001223893221	1135395858	/nfs/dbraw/zinc/39/58/58/1135395858.db2.gz	SPHDNVREBGKSBC-UPTRSRDDSA-N	-1	0	295.379	3.681	20	30		CHEDRM
N#C[C@H](Oc1ccc([S-])cc1)c1ccccc1F	ZINC001225557662	1135586627	/nfs/dbraw/zinc/58/66/27/1135586627.db2.gz	JCCUTWPNIUGLCN-AWEZNQCLSA-N	-1	0	259.305	3.758	20	30		CHEDRM
Cc1ccc(OC[C@@H](C)Oc2cccc(/C=N/O)c2)cc1	ZINC001226113953	1135664089	/nfs/dbraw/zinc/66/40/89/1135664089.db2.gz	BYJYGUQLDMBQFQ-XWAFYUISSA-N	-1	0	285.343	3.649	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccc(Cl)cc2)c1C#N	ZINC001226220838	1135673893	/nfs/dbraw/zinc/67/38/93/1135673893.db2.gz	CRIKAMWRWICFSF-JTQLQIEISA-N	-1	0	288.734	3.761	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H](c2ccccc2)C(C)C)c1C#N	ZINC001226221610	1135673993	/nfs/dbraw/zinc/67/39/93/1135673993.db2.gz	NWJLRDHYBBDFOF-MRXNPFEDSA-N	-1	0	282.343	3.743	20	30		CHEDRM
Cc1c(C#N)c(O[C@H](C)C2=CC=C[CH]2)nc2ccccc12	ZINC001226444747	1135696545	/nfs/dbraw/zinc/69/65/45/1135696545.db2.gz	MTTXTYPWWILCRY-CYBMUJFWSA-N	-1	0	275.331	3.883	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])c(C)c1	ZINC000039172727	174164792	/nfs/dbraw/zinc/16/47/92/174164792.db2.gz	GAJPXCGUDBOROB-VMPITWQZSA-N	-1	0	268.312	3.611	20	30		CHEDRM
C[C@@H]1CC(=O)CC[C@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329001861	227254309	/nfs/dbraw/zinc/25/43/09/227254309.db2.gz	WBQQCYOVGJIENG-VXNVDRBHSA-N	-1	0	294.401	3.951	20	30		CHEDRM
Cc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1	ZINC000151841589	261055859	/nfs/dbraw/zinc/05/58/59/261055859.db2.gz	HGBOIWIUJHIVJJ-UHFFFAOYSA-N	-1	0	297.402	3.699	20	30		CHEDRM
CCc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178257287	261383450	/nfs/dbraw/zinc/38/34/50/261383450.db2.gz	HQUZOHWNLKEOQE-CQSZACIVSA-N	-1	0	290.322	3.880	20	30		CHEDRM
CCCCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000187176483	262127069	/nfs/dbraw/zinc/12/70/69/262127069.db2.gz	NACYRANEUBCHAB-UHFFFAOYSA-N	-1	0	277.412	3.923	20	30		CHEDRM
N#CC(=C([O-])c1ccc(-c2cccs2)o1)c1ccccn1	ZINC000340947660	263313385	/nfs/dbraw/zinc/31/33/85/263313385.db2.gz	HTMJSXCMJSKHBG-NSHDSACASA-N	-1	0	294.335	3.893	20	30		CHEDRM
N#CC(=C([O-])c1ccc(-c2cccs2)o1)c1ccccn1	ZINC000340947652	263313410	/nfs/dbraw/zinc/31/34/10/263313410.db2.gz	HTMJSXCMJSKHBG-LLVKDONJSA-N	-1	0	294.335	3.893	20	30		CHEDRM
CC1CCC(CNC(=O)c2s[n-]c(=O)c2Cl)CC1	ZINC000328797747	263873515	/nfs/dbraw/zinc/87/35/15/263873515.db2.gz	WCIKOJHMIUGKDB-UHFFFAOYSA-N	-1	0	288.800	3.633	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc2ccccc2o1	ZINC000357192411	266262807	/nfs/dbraw/zinc/26/28/07/266262807.db2.gz	RTUGXSAUJIWXKA-SOFGYWHQSA-N	-1	0	290.278	3.568	20	30		CHEDRM
C=CCN(CC1CCCCC1)C(=O)c1cccc(O)c1	ZINC000357358371	266282927	/nfs/dbraw/zinc/28/29/27/266282927.db2.gz	SSQARNYXPMWPBG-UHFFFAOYSA-N	-1	0	273.376	3.601	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1coc2ccccc12	ZINC000178982283	327738549	/nfs/dbraw/zinc/73/85/49/327738549.db2.gz	PUZLTMLHVNHBDF-VOTSOKGWSA-N	-1	0	290.278	3.568	20	30		CHEDRM
C=CCCCCSc1nc(CC)c(C)c(=O)[nH]1	ZINC000583704714	329086538	/nfs/dbraw/zinc/08/65/38/329086538.db2.gz	OJQODZIMTPCDSX-UHFFFAOYSA-N	-1	0	252.383	3.501	20	30		CHEDRM
CC(/C=C/c1nc(C(=O)[O-])ccc1C#N)=C\c1ccccc1	ZINC000508603447	332843530	/nfs/dbraw/zinc/84/35/30/332843530.db2.gz	JDHLIAMVICUVEH-PTSVWTKZSA-N	-1	0	290.322	3.768	20	30		CHEDRM
Cc1ccc(F)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000073977154	329862957	/nfs/dbraw/zinc/86/29/57/329862957.db2.gz	RHOYMZMOWJEPOP-ZDUSSCGKSA-N	-1	0	294.285	3.765	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000263182589	330047850	/nfs/dbraw/zinc/04/78/50/330047850.db2.gz	HLQVROIGYFWCRZ-LBPRGKRZSA-N	-1	0	287.359	3.582	20	30		CHEDRM
C=CCC1(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCC1	ZINC000263342389	330052634	/nfs/dbraw/zinc/05/26/34/330052634.db2.gz	SHVJWLHYDMNPJM-LBPRGKRZSA-N	-1	0	287.359	3.560	20	30		CHEDRM
CCc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1	ZINC000453688848	331137736	/nfs/dbraw/zinc/13/77/36/331137736.db2.gz	HSAYSRSOIOWDDZ-LBPRGKRZSA-N	-1	0	299.399	3.714	20	30		CHEDRM
C=CCN=c1[n-]nc(S[C@H](C)c2cccc(C)c2)s1	ZINC000463035887	331337910	/nfs/dbraw/zinc/33/79/10/331337910.db2.gz	IQWLGWMAIQCDPZ-LLVKDONJSA-N	-1	0	291.445	3.720	20	30		CHEDRM
CCCCCCCC(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000059265934	599844492	/nfs/dbraw/zinc/84/44/92/599844492.db2.gz	LQMQPONLHINDJZ-UHFFFAOYSA-N	-1	0	281.327	3.823	20	30		CHEDRM
CCCCCCCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156588675	600040581	/nfs/dbraw/zinc/04/05/81/600040581.db2.gz	NCECZVSBIIQLHQ-UHFFFAOYSA-N	-1	0	289.375	3.588	20	30		CHEDRM
CCCCCCCNc1ccc(CNC(=O)[O-])cc1	ZINC000829356672	601250306	/nfs/dbraw/zinc/25/03/06/601250306.db2.gz	GLMASJYCOBRNBN-UHFFFAOYSA-N	-1	0	264.369	3.837	20	30		CHEDRM
O=C([O-])C1(C/N=C/c2c(O)ccc3ccccc32)CCCC1	ZINC000833174520	601366073	/nfs/dbraw/zinc/36/60/73/601366073.db2.gz	QYOKNCUJYRUKET-YBFXNURJSA-N	-1	0	297.354	3.609	20	30		CHEDRM
Cc1sc(C(=O)[O-])cc1CSc1ccccc1C#N	ZINC000833030840	601677134	/nfs/dbraw/zinc/67/71/34/601677134.db2.gz	CXBXRZOWWCJQRW-UHFFFAOYSA-N	-1	0	289.381	3.919	20	30		CHEDRM
CC(C)(C#N)CCCNc1cc(Cl)cc(C(=O)[O-])c1	ZINC000826071530	601909545	/nfs/dbraw/zinc/90/95/45/601909545.db2.gz	MLYXDMRHYXYOKE-UHFFFAOYSA-N	-1	0	280.755	3.780	20	30		CHEDRM
C[C@@H](NC(=O)[O-])c1ccc(NCCCC(C)(C)C#N)cc1	ZINC000825448077	604270639	/nfs/dbraw/zinc/27/06/39/604270639.db2.gz	BFYWETLXDFXFGQ-GFCCVEGCSA-N	-1	0	289.379	3.757	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000832880416	604627086	/nfs/dbraw/zinc/62/70/86/604627086.db2.gz	DLXMNBYNYIHCMH-YCRREMRBSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(=NN[C@@H](C)c1ccccc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814815180	604637723	/nfs/dbraw/zinc/63/77/23/604637723.db2.gz	PFVUTHYTVJXFET-ZFWWWQNUSA-N	-1	0	290.407	3.994	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H](C)C1CCCCC1	ZINC000763367769	604665781	/nfs/dbraw/zinc/66/57/81/604665781.db2.gz	HBSRQQIDXKHJHJ-NSHDSACASA-N	-1	0	289.379	3.784	20	30		CHEDRM
C=C[C@@H](CC(=O)Oc1ccccc1C(=O)[O-])c1ccccc1	ZINC000833370311	604762010	/nfs/dbraw/zinc/76/20/10/604762010.db2.gz	AXGFPXMCWQVBQG-ZDUSSCGKSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C[C@H]1C/C(=C\c2ccoc2C(=O)[O-])C(=O)c2ccccc21	ZINC000833587357	605052252	/nfs/dbraw/zinc/05/22/52/605052252.db2.gz	KMCITDYVKAUEKJ-LZAIMSLLSA-N	-1	0	282.295	3.751	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1C[C@@H]1c1ccccc1	ZINC000755601463	605094755	/nfs/dbraw/zinc/09/47/55/605094755.db2.gz	OMDBJJGUQPOWPG-DZGCQCFKSA-N	-1	0	280.327	3.586	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cc(Cl)ccc1F	ZINC000753694261	605097900	/nfs/dbraw/zinc/09/79/00/605097900.db2.gz	CQOJSOOQEDHCJK-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(Cl)s1	ZINC000833783839	605102216	/nfs/dbraw/zinc/10/22/16/605102216.db2.gz	XKRCGBSOSJUAGX-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
CC(C)(C)C[C@@H](Sc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000833430433	605155192	/nfs/dbraw/zinc/15/51/92/605155192.db2.gz	WPNTZOBDRWCIFE-GFCCVEGCSA-N	-1	0	281.352	3.679	20	30		CHEDRM
COc1ccc(NCC(C)(C)CCC#N)cc1NC(=O)[O-]	ZINC000829479949	605244750	/nfs/dbraw/zinc/24/47/50/605244750.db2.gz	QHDZMIUCIFWHAU-UHFFFAOYSA-N	-1	0	291.351	3.527	20	30		CHEDRM
C#CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000833361655	605581797	/nfs/dbraw/zinc/58/17/97/605581797.db2.gz	GDSBZJVAIPKUPM-UHFFFAOYSA-N	-1	0	293.750	3.560	20	30		CHEDRM
C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc(C(=O)[O-])c2)o1	ZINC000732761499	605594605	/nfs/dbraw/zinc/59/46/05/605594605.db2.gz	GXCBILAHVZSKQN-QMTHXVAHSA-N	-1	0	284.315	3.547	20	30		CHEDRM
C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc(C(=O)[O-])c2)o1	ZINC000732761500	605595041	/nfs/dbraw/zinc/59/50/41/605595041.db2.gz	GXCBILAHVZSKQN-YGRLFVJLSA-N	-1	0	284.315	3.547	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1	ZINC000035147039	957200061	/nfs/dbraw/zinc/20/00/61/957200061.db2.gz	MEGRLRHDVAMMGV-UTCJRWHESA-N	-1	0	292.743	3.996	20	30		CHEDRM
N#Cc1ccc(CSCc2ccccc2C(=O)[O-])cc1	ZINC000058240361	957557329	/nfs/dbraw/zinc/55/73/29/957557329.db2.gz	KGLRBNGLAOMAKW-UHFFFAOYSA-N	-1	0	283.352	3.690	20	30		CHEDRM
C#C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC001588385342	957969908	/nfs/dbraw/zinc/96/99/08/957969908.db2.gz	DYDLOPZFUUYKJO-MRXNPFEDSA-N	-1	0	299.757	3.502	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1	ZINC001588444876	958369546	/nfs/dbraw/zinc/36/95/46/958369546.db2.gz	WXGPYXGFUPENPD-VOTSOKGWSA-N	-1	0	297.310	3.663	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000126301600	958586257	/nfs/dbraw/zinc/58/62/57/958586257.db2.gz	YCWWPVTXIGZLGN-CMDGGOBGSA-N	-1	0	266.296	3.589	20	30		CHEDRM
N#Cc1ccc(Cl)cc1OCc1ccsc1C(=O)[O-]	ZINC000128906535	958685422	/nfs/dbraw/zinc/68/54/22/958685422.db2.gz	CMBXYNNZRCTQIT-UHFFFAOYSA-N	-1	0	293.731	3.550	20	30		CHEDRM
C=CCCCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000314411118	963750206	/nfs/dbraw/zinc/75/02/06/963750206.db2.gz	GMSDORDOZUKYBV-UHFFFAOYSA-N	-1	0	290.363	3.643	20	30		CHEDRM
CCCCCCCCCC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000398833417	968280932	/nfs/dbraw/zinc/28/09/32/968280932.db2.gz	IDWGQJOJVBDBFI-CABCVRRESA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCCC[C@@H](C)Nc1ncc(C(=O)[O-])cc1Cl	ZINC000398111951	973071121	/nfs/dbraw/zinc/07/11/21/973071121.db2.gz	YUCKFAJFGBECKW-SECBINFHSA-N	-1	0	268.744	3.590	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC000398221726	973085052	/nfs/dbraw/zinc/08/50/52/973085052.db2.gz	OBJRIZXUVWPWIG-GFCCVEGCSA-N	-1	0	290.363	3.560	20	30		CHEDRM
CC(C)c1[nH]c(CNc2ccc(CC#N)cc2)cc1C(=O)[O-]	ZINC001591917792	976378075	/nfs/dbraw/zinc/37/80/75/976378075.db2.gz	CPZJPHVGHKUEQB-UHFFFAOYSA-N	-1	0	297.358	3.514	20	30		CHEDRM
CC(CCCCC#N)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001592485827	978267453	/nfs/dbraw/zinc/26/74/53/978267453.db2.gz	XCSIGCLTAJRBSQ-UHFFFAOYSA-N	-1	0	293.754	3.910	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCCC23CCCC3)c1	ZINC000814687222	978872682	/nfs/dbraw/zinc/87/26/82/978872682.db2.gz	CEXTXHHVEGEACN-UHFFFAOYSA-N	-1	0	272.348	3.897	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814693335	978873747	/nfs/dbraw/zinc/87/37/47/978873747.db2.gz	KERPKCPEDVNUIS-VHSXEESVSA-N	-1	0	280.755	3.629	20	30		CHEDRM
CCC(CC)CN(CCC#N)Cc1cc(C(=O)[O-])cs1	ZINC001595111552	979458276	/nfs/dbraw/zinc/45/82/76/979458276.db2.gz	LIBCHGLPLWGFFW-UHFFFAOYSA-N	-1	0	294.420	3.598	20	30		CHEDRM
C=CCC[C@H](C)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000859820008	979653180	/nfs/dbraw/zinc/65/31/80/979653180.db2.gz	PABPHTVUSZFKKB-JTQLQIEISA-N	-1	0	258.321	3.633	20	30		CHEDRM
CCCC[C@@H](S[C@@H](C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001595651245	982019322	/nfs/dbraw/zinc/01/93/22/982019322.db2.gz	DLWKOGDQFOPPHU-SMDDNHRTSA-N	-1	0	277.389	3.996	20	30		CHEDRM
CCCC[C@@H](SCc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001595657600	982064043	/nfs/dbraw/zinc/06/40/43/982064043.db2.gz	OIEXMYCDKUJYDH-CYBMUJFWSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCCCCCC(=O)Oc1ccc(C(=O)[O-])c(OC)c1	ZINC001595705333	982284784	/nfs/dbraw/zinc/28/47/84/982284784.db2.gz	WINZLMSNTNSENH-UHFFFAOYSA-N	-1	0	294.347	3.659	20	30		CHEDRM
CCCCc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1	ZINC001595797089	982604978	/nfs/dbraw/zinc/60/49/78/982604978.db2.gz	SSPGUOCMVZEVFN-UHFFFAOYSA-N	-1	0	295.342	3.738	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)cc1	ZINC001596058248	983365035	/nfs/dbraw/zinc/36/50/35/983365035.db2.gz	HMBQWWZHVZZHCG-YFHOEESVSA-N	-1	0	297.354	3.572	20	30		CHEDRM
C#Cc1ccc(NCc2cc(C(=O)[O-])oc2C)c(Cl)c1	ZINC001588518202	983568519	/nfs/dbraw/zinc/56/85/19/983568519.db2.gz	VJRKSMAUAZEHBJ-UHFFFAOYSA-N	-1	0	289.718	3.533	20	30		CHEDRM
C=C[C@@H](C(=O)[O-])N1CCCc2cc(-c3ccccc3)ccc21	ZINC001588663583	983795511	/nfs/dbraw/zinc/79/55/11/983795511.db2.gz	OEDJMIIBUVTPEP-KRWDZBQOSA-N	-1	0	293.366	3.745	20	30		CHEDRM
C=C[C@H](Sc1nc(C2CCCCC2)cs1)C(=O)[O-]	ZINC001588714191	983950297	/nfs/dbraw/zinc/95/02/97/983950297.db2.gz	BEVYFLZGXFVVQG-NSHDSACASA-N	-1	0	283.418	3.922	20	30		CHEDRM
C=CC[C@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-]	ZINC001588752438	984080913	/nfs/dbraw/zinc/08/09/13/984080913.db2.gz	WQQZJTXQAZWXGQ-QWRGUYRKSA-N	-1	0	291.244	3.701	20	30		CHEDRM
C=CC[C@H](Sc1ccc2ccccc2c1)C(=O)[O-]	ZINC001588757954	984104247	/nfs/dbraw/zinc/10/42/47/984104247.db2.gz	CTMWEWHZRRPVOL-AWEZNQCLSA-N	-1	0	258.342	3.961	20	30		CHEDRM
C=CC[C@@H](Sc1nc2cc(C)ccc2s1)C(=O)[O-]	ZINC001588758524	984106687	/nfs/dbraw/zinc/10/66/87/984106687.db2.gz	HGPQXKMLWLDIMH-LLVKDONJSA-N	-1	0	279.386	3.726	20	30		CHEDRM
C=CC[C@H](Sc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC001588759106	984109548	/nfs/dbraw/zinc/10/95/48/984109548.db2.gz	PIHKBRKBORFEDW-ZDUSSCGKSA-N	-1	0	250.363	3.931	20	30		CHEDRM
C=CCCC[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001588787044	984185315	/nfs/dbraw/zinc/18/53/15/984185315.db2.gz	SVFLNPYPGSOYEA-LSDHHAIUSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=CCCCCNc1ncc(C(=O)[O-])cc1C(F)(F)F	ZINC001588802706	984250543	/nfs/dbraw/zinc/25/05/43/984250543.db2.gz	UTGXCNPSXWHOJD-UHFFFAOYSA-N	-1	0	288.269	3.567	20	30		CHEDRM
CC(=NNc1c(C)cccc1F)c1ccc(C(=O)[O-])cc1	ZINC001589016561	984996563	/nfs/dbraw/zinc/99/65/63/984996563.db2.gz	AQEBNPQBNQSSQV-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
CCOc1ccc(O)c(C=Nc2cc(C(=O)[O-])ccc2C)c1	ZINC001597130871	986853366	/nfs/dbraw/zinc/85/33/66/986853366.db2.gz	YJYUBAJHHDAXST-UHFFFAOYSA-N	-1	0	299.326	3.548	20	30		CHEDRM
CC(C)(CCN=Nc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC001590654044	990345058	/nfs/dbraw/zinc/34/50/58/990345058.db2.gz	JGEFRLCOVGQHST-UHFFFAOYSA-N	-1	0	289.162	3.892	20	30		CHEDRM
CC(C)CN(Cc1cc(C(=O)[O-])co1)c1ccc(C#N)cc1	ZINC001591342754	992321125	/nfs/dbraw/zinc/32/11/25/992321125.db2.gz	IWHZAGQADHMODC-UHFFFAOYSA-N	-1	0	298.342	3.512	20	30		CHEDRM
C[C@H](Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(C#N)c1	ZINC001593359609	995020135	/nfs/dbraw/zinc/02/01/35/995020135.db2.gz	JYWIOYULIDLVJO-JTQLQIEISA-N	-1	0	284.290	3.569	20	30		CHEDRM
CC1(C)C/C(=C/c2c[nH]c(C(=O)[O-])c2)C(=O)c2ccccc21	ZINC001593842561	996604234	/nfs/dbraw/zinc/60/42/34/996604234.db2.gz	PODSMWGPKKNRQB-GHXNOFRVSA-N	-1	0	295.338	3.661	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2cccc(Cl)c2)n1	ZINC000041520393	1125433356	/nfs/dbraw/zinc/43/33/56/1125433356.db2.gz	FHRQYNQSHGHKJM-LLVKDONJSA-N	-1	0	276.748	3.595	20	30		CHEDRM
CCC[C@@H](C)[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C(C)C	ZINC001233919290	1132697952	/nfs/dbraw/zinc/69/79/52/1132697952.db2.gz	DWDZOVQEILFXAD-ABAIWWIYSA-N	-1	0	276.380	3.807	20	30		CHEDRM
Cc1ccc(-c2ccsc2C(=O)[O-])c(C)c1C#N	ZINC001205605639	1133594032	/nfs/dbraw/zinc/59/40/32/1133594032.db2.gz	NPNSZHAAANNYBX-UHFFFAOYSA-N	-1	0	257.314	3.602	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(Cl)c2[O-])s1	ZINC001210220064	1134169427	/nfs/dbraw/zinc/16/94/27/1134169427.db2.gz	KXIHLVLPAAKYGA-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
N#Cc1cc(Nc2ccsc2C(=O)[O-])ccc1Cl	ZINC001215394348	1134623149	/nfs/dbraw/zinc/62/31/49/1134623149.db2.gz	WZSGUBMKTYDUPJ-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211965122	1125532751	/nfs/dbraw/zinc/53/27/51/1125532751.db2.gz	PJZRJTWTGPUEFZ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211965259	1125532860	/nfs/dbraw/zinc/53/28/60/1125532860.db2.gz	WJSSJTUTVSKAEF-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C[C@@H](C#N)CN(Cc1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000769544426	1129916827	/nfs/dbraw/zinc/91/68/27/1129916827.db2.gz	KZLKULNFECLMLP-VIFPVBQESA-N	-1	0	299.201	3.823	20	30		CHEDRM
CCc1oc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C	ZINC000161174783	1126803274	/nfs/dbraw/zinc/80/32/74/1126803274.db2.gz	HUIMUYIJXKAWIC-LLVKDONJSA-N	-1	0	293.326	3.517	20	30		CHEDRM
C=CCC[C@H](C(=O)[N-]OC/C=C/Cl)c1ccccc1	ZINC000812399834	1130686441	/nfs/dbraw/zinc/68/64/41/1130686441.db2.gz	VWTFPOWQUWINKK-OIOXUXFSSA-N	-1	0	279.767	3.537	20	30		CHEDRM
CC(=NOC1CCCCC1)c1ccc(C(=O)[O-])c(F)c1	ZINC000777456833	1126938445	/nfs/dbraw/zinc/93/84/45/1126938445.db2.gz	HUHOQHNWKHQBLP-UHFFFAOYSA-N	-1	0	279.311	3.597	20	30		CHEDRM
C[C@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000271225188	1127073084	/nfs/dbraw/zinc/07/30/84/1127073084.db2.gz	QMJZSDUIXCHHAZ-OZQIQIQNSA-N	-1	0	288.174	3.685	20	30		CHEDRM
C[C@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000271225190	1127073674	/nfs/dbraw/zinc/07/36/74/1127073674.db2.gz	QMJZSDUIXCHHAZ-VMNJHTTHSA-N	-1	0	288.174	3.685	20	30		CHEDRM
CCCCCCCC[C@@H](CC)OCCCS(=O)(=O)[O-]	ZINC001224899587	1127134659	/nfs/dbraw/zinc/13/46/59/1127134659.db2.gz	PHBHCKBJLOWZHE-CQSZACIVSA-N	-1	0	294.457	3.810	20	30		CHEDRM
CC(C)CC[N@H+](CCC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000816503538	1131101725	/nfs/dbraw/zinc/10/17/25/1131101725.db2.gz	BPMYQAIXHKXRIJ-UHFFFAOYSA-N	-1	0	298.789	3.946	20	30		CHEDRM
CSc1ccc(C)c(NC(=O)c2cc(O)cc(C#N)c2)c1	ZINC000589196476	1127215422	/nfs/dbraw/zinc/21/54/22/1127215422.db2.gz	FZKSSUBXQDIEMD-UHFFFAOYSA-N	-1	0	298.367	3.547	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000157250706	1127294144	/nfs/dbraw/zinc/29/41/44/1127294144.db2.gz	MRMIGGVXJZBJNR-ZZXKWVIFSA-N	-1	0	289.312	3.566	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000592967608	1127363798	/nfs/dbraw/zinc/36/37/98/1127363798.db2.gz	BRSBALICEREHQX-UHFFFAOYSA-N	-1	0	265.312	3.853	20	30		CHEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000046708594	1127437024	/nfs/dbraw/zinc/43/70/24/1127437024.db2.gz	RCTOZOALBNHZNZ-GFCCVEGCSA-N	-1	0	283.393	3.548	20	30		CHEDRM
C[C@H](CCCC(F)(F)F)Nc1nc(C#N)c(Cl)s1	ZINC000596209932	1127485937	/nfs/dbraw/zinc/48/59/37/1127485937.db2.gz	JSPFQEAKOOZLES-ZCFIWIBFSA-N	-1	0	297.733	3.623	20	30		CHEDRM
CCOc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000169666693	1127544029	/nfs/dbraw/zinc/54/40/29/1127544029.db2.gz	FOPLFWWZIAXVGV-FMIVXFBMSA-N	-1	0	268.312	3.687	20	30		CHEDRM
CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC	ZINC000076761972	1127549563	/nfs/dbraw/zinc/54/95/63/1127549563.db2.gz	VHPBGHOLXNKPGF-GFCCVEGCSA-N	-1	0	277.430	3.679	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3occc3s2)n1	ZINC000606146183	1127752023	/nfs/dbraw/zinc/75/20/23/1127752023.db2.gz	LJKYZRVMKAKUPO-QMMMGPOBSA-N	-1	0	288.353	3.749	20	30		CHEDRM
CC[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C1CCCCC1	ZINC001233919333	1128065117	/nfs/dbraw/zinc/06/51/17/1128065117.db2.gz	GTYIKQUPKFOSFC-CQSZACIVSA-N	-1	0	274.364	3.705	20	30		CHEDRM
Cc1ccc(F)cc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000777917163	1128324455	/nfs/dbraw/zinc/32/44/55/1128324455.db2.gz	ZAEUYLRJGGTVDK-UTCJRWHESA-N	-1	0	274.266	3.875	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC000916255421	1128412700	/nfs/dbraw/zinc/41/27/00/1128412700.db2.gz	ZUWYHJVWKFWOGO-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
CCCc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763368359	1128417566	/nfs/dbraw/zinc/41/75/66/1128417566.db2.gz	ATXJTZGFMOKVTQ-UHFFFAOYSA-N	-1	0	297.358	3.568	20	30		CHEDRM
Cc1ccc(C)c(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000915988440	1128401709	/nfs/dbraw/zinc/40/17/09/1128401709.db2.gz	WMMKTMGSIKIWDJ-KTKRTIGZSA-N	-1	0	294.350	3.827	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCC2	ZINC000916240624	1128412084	/nfs/dbraw/zinc/41/20/84/1128412084.db2.gz	INMUEEYSPYFUOO-UHFFFAOYSA-N	-1	0	294.354	3.710	20	30		CHEDRM
Cc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000917559273	1128505968	/nfs/dbraw/zinc/50/59/68/1128505968.db2.gz	JGIFLRVOAQAIGK-VAKHEIKFSA-N	-1	0	284.315	3.789	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000033474229	1128535057	/nfs/dbraw/zinc/53/50/57/1128535057.db2.gz	RVKHKZFBVWEOHL-DAXSKMNVSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CCn1c2ccc(C#N)cc2nc1-c1cc(F)c([O-])c(F)c1	ZINC000155098142	1128631133	/nfs/dbraw/zinc/63/11/33/1128631133.db2.gz	MBDWNXXXLSWZOW-UHFFFAOYSA-N	-1	0	299.280	3.579	20	30		CHEDRM
CC1(C)c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])cc1	ZINC000920069831	1128662742	/nfs/dbraw/zinc/66/27/42/1128662742.db2.gz	CSMFHNDKGCXJBO-WJDWOHSUSA-N	-1	0	292.334	3.942	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCCCO1	ZINC000920387524	1128680041	/nfs/dbraw/zinc/68/00/41/1128680041.db2.gz	QQVRMHTXKQXXNS-JRUYLCMPSA-N	-1	0	288.174	3.687	20	30		CHEDRM
Cc1cc(C)cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000921265263	1128705389	/nfs/dbraw/zinc/70/53/89/1128705389.db2.gz	CVCVHIDMOWFFJV-ARJAWSKDSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](CCC)c1ccccc1	ZINC000048552178	1128715859	/nfs/dbraw/zinc/71/58/59/1128715859.db2.gz	XANKAULAHMVEAM-AWEZNQCLSA-N	-1	0	297.420	3.657	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1cc(F)c([O-])c(F)c1)C2	ZINC000175326526	1128725595	/nfs/dbraw/zinc/72/55/95/1128725595.db2.gz	DYTBJEXDLHGIAJ-XGICHPGQSA-N	-1	0	286.277	3.801	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C)c2C)n1	ZINC000180731389	1117939635	/nfs/dbraw/zinc/93/96/35/1117939635.db2.gz	NYKFQYUZAZTMIN-JTQLQIEISA-N	-1	0	276.386	3.620	20	30		CHEDRM
O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccccc1[O-]	ZINC000255079889	1118190958	/nfs/dbraw/zinc/19/09/58/1118190958.db2.gz	OTJXYFFFWLDXIS-HJWRWDBZSA-N	-1	0	298.729	3.589	20	30		CHEDRM
N#CC(=C([O-])C=Cc1cccs1)c1nc2ccccc2o1	ZINC000255086474	1118192637	/nfs/dbraw/zinc/19/26/37/1118192637.db2.gz	ILDYJBDNNWGLKF-KRZKBDHCSA-N	-1	0	294.335	3.779	20	30		CHEDRM
Cc1cccc(C(C)C)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188754568	1128765349	/nfs/dbraw/zinc/76/53/49/1128765349.db2.gz	GMULAUKEGVSQST-UHFFFAOYSA-N	-1	0	294.354	3.948	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2F)s1	ZINC001210238828	1118217817	/nfs/dbraw/zinc/21/78/17/1118217817.db2.gz	KRKRSFGZGNFDOJ-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
Cc1c(C)n(-c2cc(Cl)c([O-])c(Cl)c2)c(N)c1C#N	ZINC001210924792	1118423967	/nfs/dbraw/zinc/42/39/67/1118423967.db2.gz	RILVSLHORMPBSH-UHFFFAOYSA-N	-1	0	296.157	3.560	20	30		CHEDRM
CO[C@@H](c1ccccc1)C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000782177023	1118426567	/nfs/dbraw/zinc/42/65/67/1118426567.db2.gz	LPKRBBBERGQLHF-MRXNPFEDSA-N	-1	0	298.342	3.560	20	30		CHEDRM
O=C([O-])c1csc(/C=C2/CCc3sccc3C2=O)c1	ZINC000782199195	1118499880	/nfs/dbraw/zinc/49/98/80/1118499880.db2.gz	CUIZPIQNGDTVHV-YVMONPNESA-N	-1	0	290.365	3.720	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1cc(F)c(O)cc1F	ZINC001211353483	1118507052	/nfs/dbraw/zinc/50/70/52/1118507052.db2.gz	WUQYZHXHMNWPAF-UHFFFAOYSA-N	-1	0	259.255	3.712	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1	ZINC000430589820	1118576860	/nfs/dbraw/zinc/57/68/60/1118576860.db2.gz	FRPWSAIXVUXGPU-SNVBAGLBSA-N	-1	0	288.372	3.832	20	30		CHEDRM
CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000076755533	1128787614	/nfs/dbraw/zinc/78/76/14/1128787614.db2.gz	HWMLAWOYTUYOAY-CYBMUJFWSA-N	-1	0	297.420	3.938	20	30		CHEDRM
CCC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255423005	1118907191	/nfs/dbraw/zinc/90/71/91/1118907191.db2.gz	GQBMJIXFRAEBOD-UHFFFAOYSA-N	-1	0	298.298	3.644	20	30		CHEDRM
C=CCCc1ccc(-c2cnn([C@H](C)CC(=O)[O-])c2)cc1	ZINC000657205720	1118923700	/nfs/dbraw/zinc/92/37/00/1118923700.db2.gz	AAHHXMROYYAYSC-CYBMUJFWSA-N	-1	0	284.359	3.704	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728438975	1118947009	/nfs/dbraw/zinc/94/70/09/1118947009.db2.gz	SFZJDECPJYLPJY-SOFGYWHQSA-N	-1	0	256.276	3.736	20	30		CHEDRM
Cc1ccc(C=CC(=O)c2sccc2[O-])s1	ZINC000588495736	1118990405	/nfs/dbraw/zinc/99/04/05/1118990405.db2.gz	GGFXBAHENIPGHG-PLNGDYQASA-N	-1	0	250.344	3.720	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000342387970	1118999090	/nfs/dbraw/zinc/99/90/90/1118999090.db2.gz	KXTKNWFIKXKIDE-HNNXBMFYSA-N	-1	0	290.322	3.935	20	30		CHEDRM
CCOc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1F	ZINC000782342609	1119101853	/nfs/dbraw/zinc/10/18/53/1119101853.db2.gz	QAHKABQPKUGZOR-CLFYSBASSA-N	-1	0	286.302	3.826	20	30		CHEDRM
CC(C)Oc1cc(F)ccc1Nc1scc([O-])c1C#N	ZINC001212292024	1128823895	/nfs/dbraw/zinc/82/38/95/1128823895.db2.gz	JLDMRPBSJKALLH-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
N#Cc1ccccc1CNc1cc(F)ccc1[S-]	ZINC001167634852	1119250943	/nfs/dbraw/zinc/25/09/43/1119250943.db2.gz	XQPTULXSKOBUJH-UHFFFAOYSA-N	-1	0	258.321	3.598	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)cn2C(C)(C)C)cc1C(=O)[O-]	ZINC001211593940	1119395420	/nfs/dbraw/zinc/39/54/20/1119395420.db2.gz	FYTYPNOICRBPON-UHFFFAOYSA-N	-1	0	297.358	3.865	20	30		CHEDRM
Cc1ccc(Nc2cc(F)cc(F)c2C#N)cc1C(=O)[O-]	ZINC001211607983	1119465262	/nfs/dbraw/zinc/46/52/62/1119465262.db2.gz	HGVZELOOQVPFKZ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1F	ZINC001211608401	1119467332	/nfs/dbraw/zinc/46/73/32/1119467332.db2.gz	URRNVACVNCVUHG-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1ccccc1[C@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176820608	1119497176	/nfs/dbraw/zinc/49/71/76/1119497176.db2.gz	OKQOWGFSGVXNKH-CYBMUJFWSA-N	-1	0	294.354	3.705	20	30		CHEDRM
O=C(/C=C\c1cc(F)cc(F)c1)c1cc(F)cc(F)c1[O-]	ZINC000755598933	1119579239	/nfs/dbraw/zinc/57/92/39/1119579239.db2.gz	LXWBUFOAQDXCQW-UPHRSURJSA-N	-1	0	296.219	3.845	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(F)cc(F)cc1C#N	ZINC001211626607	1119635794	/nfs/dbraw/zinc/63/57/94/1119635794.db2.gz	NRWUHPSGBBUPCV-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1cc(F)c([O-])c(F)c1)C2	ZINC000255689931	1119725644	/nfs/dbraw/zinc/72/56/44/1119725644.db2.gz	DYTBJEXDLHGIAJ-LFYBBSHMSA-N	-1	0	286.277	3.801	20	30		CHEDRM
N#Cc1sccc1-c1ccc2c(c1)CC[C@]21C[C@H]1C(=O)[O-]	ZINC000582133031	1119912492	/nfs/dbraw/zinc/91/24/92/1119912492.db2.gz	GQIQYAWSGPYBRT-YOEHRIQHSA-N	-1	0	295.363	3.575	20	30		CHEDRM
N#CC(=C([O-])c1ccc(F)s1)c1nc(C2CC2)cs1	ZINC000659116416	1120016503	/nfs/dbraw/zinc/01/65/03/1120016503.db2.gz	VCMRNIAYDOGQQM-MRVPVSSYSA-N	-1	0	292.360	3.711	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCCCCC2)cc1	ZINC000007890649	1120056162	/nfs/dbraw/zinc/05/61/62/1120056162.db2.gz	XFGVNIHHSOZDIB-UHFFFAOYSA-N	-1	0	260.337	3.897	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CCC)c1cccc(Cl)c1	ZINC001300212168	1120135992	/nfs/dbraw/zinc/13/59/92/1120135992.db2.gz	CQAJOUXXZAHODP-FZMZJTMJSA-N	-1	0	281.783	3.846	20	30		CHEDRM
CCCC(=CC(=O)[N-]S(=O)(=O)c1ccccc1)CCC	ZINC000092692798	1120540260	/nfs/dbraw/zinc/54/02/60/1120540260.db2.gz	NHSFAKJPSIZGEN-UHFFFAOYSA-N	-1	0	295.404	3.858	20	30		CHEDRM
N#CC1CCC(COC(=O)c2cc([S-])ccc2F)CC1	ZINC000922699115	1120582615	/nfs/dbraw/zinc/58/26/15/1120582615.db2.gz	QZOORAPHCXZAPU-UHFFFAOYSA-N	-1	0	293.363	3.601	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(F)cc2C#N)ccc1C(=O)[O-]	ZINC001211660585	1120660275	/nfs/dbraw/zinc/66/02/75/1120660275.db2.gz	BCQUIESEKAXUBM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C	ZINC000070029395	1128931981	/nfs/dbraw/zinc/93/19/81/1128931981.db2.gz	WQALZTLEPDRCCJ-GFCCVEGCSA-N	-1	0	297.420	3.713	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1-c1ccccc1C(=O)[O-]	ZINC001222655458	1120675725	/nfs/dbraw/zinc/67/57/25/1120675725.db2.gz	RSSCQWOZVNIEBD-UHFFFAOYSA-N	-1	0	251.285	3.540	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(C#N)c(F)c2)ccc1C(=O)[O-]	ZINC001211663672	1120707405	/nfs/dbraw/zinc/70/74/05/1120707405.db2.gz	WAXIEPAPOBGMFD-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1	ZINC000211342092	1120895309	/nfs/dbraw/zinc/89/53/09/1120895309.db2.gz	DKTUHVGKFBXDLC-BAQGIRSFSA-N	-1	0	288.249	3.559	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])s2)ccc1Cl	ZINC001174809750	1121056411	/nfs/dbraw/zinc/05/64/11/1121056411.db2.gz	REXNVWYQWWUPIO-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1sc(Nc2cc(C(=O)[O-])ccc2C)c(C#N)c1C	ZINC001174982093	1121140214	/nfs/dbraw/zinc/14/02/14/1121140214.db2.gz	UQHZMHSGULDTFJ-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cc(C(=O)[O-])ccc1C	ZINC001174982776	1121141377	/nfs/dbraw/zinc/14/13/77/1121141377.db2.gz	YWFMOPYGYBJLJN-UHFFFAOYSA-N	-1	0	280.327	3.871	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001175161330	1121193210	/nfs/dbraw/zinc/19/32/10/1121193210.db2.gz	FWFBCLWZLPUBFO-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1Cl	ZINC001175220493	1121227894	/nfs/dbraw/zinc/22/78/94/1121227894.db2.gz	RCLYAZYYAPMDIN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(Cl)c1	ZINC001175218802	1121227945	/nfs/dbraw/zinc/22/79/45/1121227945.db2.gz	LYVHVNCUTABPLV-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)s1	ZINC001175315144	1121279880	/nfs/dbraw/zinc/27/98/80/1121279880.db2.gz	OADOVQLYKINUEE-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CCc1cc(Nc2cncc(C(=O)[O-])c2)cc(CC)c1C#N	ZINC001175843169	1121470178	/nfs/dbraw/zinc/47/01/78/1121470178.db2.gz	ZPIBIBMDVWCACC-UHFFFAOYSA-N	-1	0	295.342	3.520	20	30		CHEDRM
Cc1ccc(Nc2scc([O-])c2C#N)c(F)c1F	ZINC001176093188	1121538113	/nfs/dbraw/zinc/53/81/13/1121538113.db2.gz	HNAVEANXOCQHJA-UHFFFAOYSA-N	-1	0	266.272	3.656	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1	ZINC001176588515	1121648563	/nfs/dbraw/zinc/64/85/63/1121648563.db2.gz	MLGCHGMHAPFHCA-UHFFFAOYSA-N	-1	0	277.323	3.528	20	30		CHEDRM
Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1C#N	ZINC001176596174	1121651762	/nfs/dbraw/zinc/65/17/62/1121651762.db2.gz	YYNWQYRGUWWRFS-RUDMXATFSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#Cc1c(Nc2ccc(C(=O)[O-])cc2)sc2c1CCCC2	ZINC001176708356	1121688944	/nfs/dbraw/zinc/68/89/44/1121688944.db2.gz	YDUJPFKWGUGEHR-UHFFFAOYSA-N	-1	0	298.367	3.940	20	30		CHEDRM
C[C@H]1CCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000729141049	1121758005	/nfs/dbraw/zinc/75/80/05/1121758005.db2.gz	SAHMMZLXTPNJRS-QMMMGPOBSA-N	-1	0	266.728	3.626	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1F	ZINC000729150424	1121760440	/nfs/dbraw/zinc/76/04/40/1121760440.db2.gz	NPUFUGCZRWXVIN-WEVVVXLNSA-N	-1	0	298.313	3.657	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cccc(Cl)c2)cs1	ZINC000730148928	1121794932	/nfs/dbraw/zinc/79/49/32/1121794932.db2.gz	QABWRBUKNHECPH-PLNGDYQASA-N	-1	0	292.743	3.996	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cccc(F)c2F)cs1	ZINC000730730437	1121822598	/nfs/dbraw/zinc/82/25/98/1121822598.db2.gz	ZLSYIZKAEYCKPR-PLNGDYQASA-N	-1	0	294.278	3.621	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1C	ZINC000731157362	1121849948	/nfs/dbraw/zinc/84/99/48/1121849948.db2.gz	WBRSJDGIDYGPRE-ZHACJKMWSA-N	-1	0	294.350	3.827	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1C	ZINC000731158898	1121853101	/nfs/dbraw/zinc/85/31/01/1121853101.db2.gz	LIHFSGXHBOMNTD-VOTSOKGWSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(F)c(C2CC2)c1	ZINC001184243350	1122264447	/nfs/dbraw/zinc/26/44/47/1122264447.db2.gz	DPAVIECRQGORPC-UHFFFAOYSA-N	-1	0	298.337	3.691	20	30		CHEDRM
N#Cc1ccc(Nc2c(F)ccc([O-])c2Cl)c(F)c1	ZINC001250232810	1122377739	/nfs/dbraw/zinc/37/77/39/1122377739.db2.gz	FYKUKZKTZDYPSS-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1C	ZINC000193134768	1129055798	/nfs/dbraw/zinc/05/57/98/1129055798.db2.gz	MASDNIUVBZDTNR-FNORWQNLSA-N	-1	0	286.302	3.744	20	30		CHEDRM
CCCCCCCNC(=O)Nc1c([O-])cc(F)cc1F	ZINC001191105015	1122572763	/nfs/dbraw/zinc/57/27/63/1122572763.db2.gz	YVMPVYWYDUFUOU-UHFFFAOYSA-N	-1	0	286.322	3.762	20	30		CHEDRM
N#Cc1cccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)c1	ZINC000439273076	1122767100	/nfs/dbraw/zinc/76/71/00/1122767100.db2.gz	HSENDAHYILTYRZ-DAXSKMNVSA-N	-1	0	290.278	3.568	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001203299585	1122841627	/nfs/dbraw/zinc/84/16/27/1122841627.db2.gz	QPAJVZCLCLOCKM-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
C=C(C)C[C@@H](OCc1ccc(C(=O)[O-])cc1)C(=C)C	ZINC001205690001	1122856246	/nfs/dbraw/zinc/85/62/46/1122856246.db2.gz	KWSOUSIZXPUTJG-OAHLLOKOSA-N	-1	0	260.333	3.812	20	30		CHEDRM
CC(C)c1oncc1C(=O)[N-]c1c(C#N)oc2ccccc21	ZINC001199743837	1123038008	/nfs/dbraw/zinc/03/80/08/1123038008.db2.gz	OCBLZEFNMRNBDX-UHFFFAOYSA-N	-1	0	295.298	3.668	20	30		CHEDRM
CCc1ccccc1NC(=S)Nc1cc(C#N)ccc1[O-]	ZINC001201145397	1123075426	/nfs/dbraw/zinc/07/54/26/1123075426.db2.gz	DTZCRRHVLMABQL-UHFFFAOYSA-N	-1	0	297.383	3.635	20	30		CHEDRM
CSc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n[nH]1	ZINC000328751997	1123415979	/nfs/dbraw/zinc/41/59/79/1123415979.db2.gz	CQSZADPLKGZMQB-GARJFASQSA-N	-1	0	294.424	3.721	20	30		CHEDRM
O=C([O-])c1cc(N=NCC2CCSCC2)ccc1Cl	ZINC000853258255	1123430788	/nfs/dbraw/zinc/43/07/88/1123430788.db2.gz	MEUQHLSOZALMST-UHFFFAOYSA-N	-1	0	298.795	3.579	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)cc(Cl)c2)cc1	ZINC000776721564	1123478943	/nfs/dbraw/zinc/47/89/43/1123478943.db2.gz	GYDCRHDCPGYHID-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CC(=NNc1ccccn1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727648517	1123509769	/nfs/dbraw/zinc/50/97/69/1123509769.db2.gz	INENTERRMCYZIM-UHFFFAOYSA-N	-1	0	296.157	3.930	20	30		CHEDRM
C=CCCO[N-]C(=O)C(C)(C)c1cccc2ccccc21	ZINC000856036217	1123544925	/nfs/dbraw/zinc/54/49/25/1123544925.db2.gz	WCLLLCHYGOMNRC-UHFFFAOYSA-N	-1	0	283.371	3.741	20	30		CHEDRM
C=CCCO[N-]C(=O)C1(c2cccs2)CCCCC1	ZINC000856032526	1123545245	/nfs/dbraw/zinc/54/52/45/1123545245.db2.gz	QKLZNLULFXAXNO-UHFFFAOYSA-N	-1	0	279.405	3.574	20	30		CHEDRM
Cc1ccc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545787	1123592491	/nfs/dbraw/zinc/59/24/91/1123592491.db2.gz	QXPXPBPOZBWNFP-CQSZACIVSA-N	-1	0	290.322	3.935	20	30		CHEDRM
CCC(CC1CCCCC1)=NNc1cnnc([O-])c1Cl	ZINC000872339430	1124705003	/nfs/dbraw/zinc/70/50/03/1124705003.db2.gz	KPIBMNOGHUHOSK-UHFFFAOYSA-N	-1	0	296.802	3.984	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2ccc(C(=O)[O-])cc2F)[nH]1	ZINC001239262006	1131308740	/nfs/dbraw/zinc/30/87/40/1131308740.db2.gz	NFCZTVGEKRYRDK-UHFFFAOYSA-N	-1	0	280.258	3.544	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001239351942	1131321028	/nfs/dbraw/zinc/32/10/28/1131321028.db2.gz	OKFBFLKKPXAMFN-SECBINFHSA-N	-1	0	287.265	3.957	20	30		CHEDRM
Cc1cc(F)cc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001239353350	1131321526	/nfs/dbraw/zinc/32/15/26/1131321526.db2.gz	RGBGYXXTTXUULN-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
COc1ccc(Nc2cc([O-])c(Cl)cc2F)c(C#N)c1	ZINC001212783302	1125196375	/nfs/dbraw/zinc/19/63/75/1125196375.db2.gz	BWLXOTOTNALDBP-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1c(O)cccc1Cl	ZINC000880123645	1125251989	/nfs/dbraw/zinc/25/19/89/1125251989.db2.gz	UOKWAUOIBHHWHD-UHFFFAOYSA-N	-1	0	253.729	3.586	20	30		CHEDRM
CCc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000760219929	1125306307	/nfs/dbraw/zinc/30/63/07/1125306307.db2.gz	SVAVDBVMOVLNCL-UHFFFAOYSA-N	-1	0	292.722	3.640	20	30		CHEDRM
C[C@@]1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCCO1	ZINC000132418459	1125417902	/nfs/dbraw/zinc/41/79/02/1125417902.db2.gz	PYWILTQUEADYTK-HFVKVNHUSA-N	-1	0	288.174	3.687	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3cc(C)ccc3o2)n1	ZINC000125061560	1125443827	/nfs/dbraw/zinc/44/38/27/1125443827.db2.gz	VAXIEDFKXYPYDB-GFCCVEGCSA-N	-1	0	296.351	3.996	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2coc3ccccc23)c1	ZINC000733902862	1129283090	/nfs/dbraw/zinc/28/30/90/1129283090.db2.gz	BVRSJMANPZFWRO-CAOOACKPSA-N	-1	0	296.282	3.666	20	30		CHEDRM
O=C([O-])c1ccc(-c2ccccc2CS)s1	ZINC001240847179	1129375768	/nfs/dbraw/zinc/37/57/68/1129375768.db2.gz	DGRCLZKEFMQXDE-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
C[C@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)C1	ZINC000739426359	1129404058	/nfs/dbraw/zinc/40/40/58/1129404058.db2.gz	KMNIKXLAHOSRIV-MXNOBRNFSA-N	-1	0	276.336	3.544	20	30		CHEDRM
CC[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000740763281	1129418728	/nfs/dbraw/zinc/41/87/28/1129418728.db2.gz	FGKDOUKMUXFLBT-HJCXSIFHSA-N	-1	0	276.336	3.688	20	30		CHEDRM
Cc1ccc([C@@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000737440102	1129448158	/nfs/dbraw/zinc/44/81/58/1129448158.db2.gz	CBYDJXPIULAXJS-FHXOWUIVSA-N	-1	0	298.342	3.831	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1C#N	ZINC000766491826	1129669971	/nfs/dbraw/zinc/66/99/71/1129669971.db2.gz	RMLYZHACSDDGJN-UTCJRWHESA-N	-1	0	281.286	3.608	20	30		CHEDRM
CCc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000254741224	1129708278	/nfs/dbraw/zinc/70/82/78/1129708278.db2.gz	JMIFWPRSBKDXHO-UHFFFAOYSA-N	-1	0	298.371	3.645	20	30		CHEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(Cl)c([O-])c1	ZINC001212588549	1129717281	/nfs/dbraw/zinc/71/72/81/1129717281.db2.gz	UARHXQLKVHWZCC-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1sccc1Nc1ccc(Cl)c([O-])c1	ZINC001212589605	1129721411	/nfs/dbraw/zinc/72/14/11/1129721411.db2.gz	UPITYSIOQGORBQ-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
Cc1cccc(Nc2ccc(Cl)c([O-])c2)c1C#N	ZINC001212592493	1129744762	/nfs/dbraw/zinc/74/47/62/1129744762.db2.gz	SOYFFKPHLWUBGN-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCCCCCC2)c1	ZINC000015353839	1129836219	/nfs/dbraw/zinc/83/62/19/1129836219.db2.gz	JKQMKUANRDWMNG-UHFFFAOYSA-N	-1	0	260.337	3.897	20	30		CHEDRM
C=CCN(Cc1c(O)cccc1Cl)CC(F)(F)F	ZINC000119484452	1129847080	/nfs/dbraw/zinc/84/70/80/1129847080.db2.gz	VTUSEQHNMWNUQP-UHFFFAOYSA-N	-1	0	279.689	3.596	20	30		CHEDRM
CC(C)(C#N)CCCCOC(=O)c1ccc([O-])c(Cl)c1	ZINC000768371927	1129854262	/nfs/dbraw/zinc/85/42/62/1129854262.db2.gz	HBLSOXCOGLRYMK-UHFFFAOYSA-N	-1	0	295.766	3.922	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)c([O-])c1	ZINC000769609139	1129918972	/nfs/dbraw/zinc/91/89/72/1129918972.db2.gz	GPTQHYZGAAVEKO-VQHVLOKHSA-N	-1	0	298.386	3.628	20	30		CHEDRM
CC(=NNc1ccc(Cl)cc1)c1sccc1[O-]	ZINC000769766970	1129922613	/nfs/dbraw/zinc/92/26/13/1129922613.db2.gz	WNWINDREJNZQSR-UHFFFAOYSA-N	-1	0	266.753	3.943	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1	ZINC000770571422	1129951129	/nfs/dbraw/zinc/95/11/29/1129951129.db2.gz	DABOHMQXCSEHKM-DAXSKMNVSA-N	-1	0	281.286	3.608	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2s1	ZINC000802035852	1129968543	/nfs/dbraw/zinc/96/85/43/1129968543.db2.gz	MGWMDZNHOXJCTK-GUOLPTJISA-N	-1	0	293.351	3.514	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2s1	ZINC000802035854	1129968728	/nfs/dbraw/zinc/96/87/28/1129968728.db2.gz	MGWMDZNHOXJCTK-QDZRJHCZSA-N	-1	0	293.351	3.514	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc[nH]2)s1	ZINC000802249614	1129985961	/nfs/dbraw/zinc/98/59/61/1129985961.db2.gz	CJLIFQWHBFIBQR-NNNHXZLVSA-N	-1	0	299.399	3.658	20	30		CHEDRM
C#CCC1(C(=O)Nc2cccc(Cl)c2[O-])CCCCC1	ZINC000788522290	1130193007	/nfs/dbraw/zinc/19/30/07/1130193007.db2.gz	XKZWDUPAYGZGLL-UHFFFAOYSA-N	-1	0	291.778	3.958	20	30		CHEDRM
CC1=C[C@H](C)C[C@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000789639993	1130267728	/nfs/dbraw/zinc/26/77/28/1130267728.db2.gz	PDTPOFOXSQITFK-AAEUAGOBSA-N	-1	0	272.348	3.775	20	30		CHEDRM
N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000826861087	1130298492	/nfs/dbraw/zinc/29/84/92/1130298492.db2.gz	ANNKILUJTOJKFZ-SNVBAGLBSA-N	-1	0	299.201	3.825	20	30		CHEDRM
O=C(/C=C\c1ccsc1Cl)c1ccc(O)cc1[O-]	ZINC000790221580	1130300990	/nfs/dbraw/zinc/30/09/90/1130300990.db2.gz	CVWWAZGMTOPKPB-RJRFIUFISA-N	-1	0	280.732	3.709	20	30		CHEDRM
N#CCc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1F	ZINC001240549547	1130352137	/nfs/dbraw/zinc/35/21/37/1130352137.db2.gz	OBHGGVBDTIKRHU-QPJJXVBHSA-N	-1	0	281.286	3.657	20	30		CHEDRM
O=C([O-])/C=C/c1cccc(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001240550990	1130353394	/nfs/dbraw/zinc/35/33/94/1130353394.db2.gz	OTQIFWJMCJHSSA-OWKATGKCSA-N	-1	0	293.322	3.576	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C)c(C#N)c1C	ZINC001240736970	1130446627	/nfs/dbraw/zinc/44/66/27/1130446627.db2.gz	MNUXCUQSAOJYIZ-UHFFFAOYSA-N	-1	0	281.311	3.549	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)c([O-])c1	ZINC000772799308	1130456051	/nfs/dbraw/zinc/45/60/51/1130456051.db2.gz	BBXQKMUJQQYREF-ALCCZGGFSA-N	-1	0	281.286	3.608	20	30		CHEDRM
C=CCOCc1cccc(-c2ccc(C(=O)[O-])s2)c1	ZINC001240850126	1130493515	/nfs/dbraw/zinc/49/35/15/1130493515.db2.gz	WGNWGHKINFWDGK-UHFFFAOYSA-N	-1	0	274.341	3.816	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2cc(F)cc(F)c2[O-])[nH]1	ZINC001243505456	1130516515	/nfs/dbraw/zinc/51/65/15/1130516515.db2.gz	SLGRDBMMFQVWJS-UHFFFAOYSA-N	-1	0	270.238	3.690	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc2[nH]ccc21	ZINC001241002864	1130560512	/nfs/dbraw/zinc/56/05/12/1130560512.db2.gz	IFXBRUSHJIDVBF-UHFFFAOYSA-N	-1	0	276.295	3.713	20	30		CHEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)C2	ZINC000811692568	1130638597	/nfs/dbraw/zinc/63/85/97/1130638597.db2.gz	BXRPLWGADKOGAI-WLRTZDKTSA-N	-1	0	295.725	3.740	20	30		CHEDRM
C=CCc1cc(OC)c(OC)cc1O[C@H](C)C1=CC=C[CH]1	ZINC001234551659	1130655858	/nfs/dbraw/zinc/65/58/58/1130655858.db2.gz	JPDDJBUOWQGPRD-CYBMUJFWSA-N	-1	0	285.363	3.900	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1(C)CC1	ZINC000759424362	1130657310	/nfs/dbraw/zinc/65/73/10/1130657310.db2.gz	ATCXLJHWZZMZMD-ZDUSSCGKSA-N	-1	0	294.354	3.558	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCCCF	ZINC000812444292	1130691270	/nfs/dbraw/zinc/69/12/70/1130691270.db2.gz	BZXLCZVNSBJHPB-VIZOYTHASA-N	-1	0	264.127	3.868	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1c(F)cccc1F	ZINC001234823738	1130679791	/nfs/dbraw/zinc/67/97/91/1130679791.db2.gz	XUGHVBSJUPRRRD-SNVBAGLBSA-N	-1	0	277.270	3.913	20	30		CHEDRM
C[C@@H](Oc1cnc2ccccc2c1C#N)C1=CC=C[CH]1	ZINC001234855133	1130683464	/nfs/dbraw/zinc/68/34/64/1130683464.db2.gz	RABRGEKWMQABKU-GFCCVEGCSA-N	-1	0	261.304	3.574	20	30		CHEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1cccs1	ZINC000812445350	1130691150	/nfs/dbraw/zinc/69/11/50/1130691150.db2.gz	VHTFYRSLZSJELM-UHFFFAOYSA-N	-1	0	274.345	3.673	20	30		CHEDRM
COc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c(CC#N)c1	ZINC001235531318	1130751912	/nfs/dbraw/zinc/75/19/12/1130751912.db2.gz	HTJSWPYUZQNGHF-RUDMXATFSA-N	-1	0	293.322	3.526	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cc(F)cc(F)c2)c1	ZINC000782207840	1130763145	/nfs/dbraw/zinc/76/31/45/1130763145.db2.gz	SNIVVRFJTVBZFF-UPHRSURJSA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=C(/C=C/c1ccc2cnccc2c1)c1ccccc1[O-]	ZINC000782341900	1130773511	/nfs/dbraw/zinc/77/35/11/1130773511.db2.gz	MLXNEWJONGNNEP-SOFGYWHQSA-N	-1	0	275.307	3.837	20	30		CHEDRM
Cc1cc(-c2c(F)cc(F)c([O-])c2F)cc(F)c1C#N	ZINC001236003011	1130829549	/nfs/dbraw/zinc/82/95/49/1130829549.db2.gz	YACUTTWKEPLBBS-UHFFFAOYSA-N	-1	0	281.208	3.796	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1c(F)cc(F)c([O-])c1F	ZINC001236001911	1130830701	/nfs/dbraw/zinc/83/07/01/1130830701.db2.gz	FRHBBXCXYODFEV-UHFFFAOYSA-N	-1	0	277.245	3.851	20	30		CHEDRM
C=CCOCc1cccc(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236063601	1130844336	/nfs/dbraw/zinc/84/43/36/1130844336.db2.gz	HTUXTOKLOHGUEK-UHFFFAOYSA-N	-1	0	268.312	3.754	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCCC[C@@H]1C	ZINC000783863511	1130860018	/nfs/dbraw/zinc/86/00/18/1130860018.db2.gz	RFSPWQPJVIGPNG-WCQYABFASA-N	-1	0	290.363	3.617	20	30		CHEDRM
CC(C)(C#N)[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680712	1130894059	/nfs/dbraw/zinc/89/40/59/1130894059.db2.gz	FUXTVZVNMAZSEC-ZDUSSCGKSA-N	-1	0	285.347	3.503	20	30		CHEDRM
CCC(CC)(CC)CN=Nc1ccccc1C(=O)[O-]	ZINC000814768488	1130908490	/nfs/dbraw/zinc/90/84/90/1130908490.db2.gz	DDAIJQQIDXVJPC-UHFFFAOYSA-N	-1	0	262.353	3.999	20	30		CHEDRM
C[C@H](CN=Nc1ccccc1C(=O)[O-])C1CCCCC1	ZINC000814768387	1130908550	/nfs/dbraw/zinc/90/85/50/1130908550.db2.gz	USZWLNQYMISVER-GFCCVEGCSA-N	-1	0	274.364	3.999	20	30		CHEDRM
Cc1c(C(=O)[O-])cccc1-c1cc(CC#N)ccc1F	ZINC001245302414	1130923671	/nfs/dbraw/zinc/92/36/71/1130923671.db2.gz	YEULBAPRCIRHBB-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
CC(=NOCc1ccc(F)cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814903606	1130932784	/nfs/dbraw/zinc/93/27/84/1130932784.db2.gz	RFLDGRLAAAIBQA-LBPRGKRZSA-N	-1	0	295.354	3.999	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cccc(Cl)n1	ZINC000814939376	1130940682	/nfs/dbraw/zinc/94/06/82/1130940682.db2.gz	OHEWIIBXIAJQTF-UHFFFAOYSA-N	-1	0	297.786	3.948	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748002025	1130995001	/nfs/dbraw/zinc/99/50/01/1130995001.db2.gz	FXLIMFOLBONHKO-UHFFFAOYSA-N	-1	0	260.337	3.563	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)/C(F)=C/C2CCCCC2)c1	ZINC000798172137	1131027890	/nfs/dbraw/zinc/02/78/90/1131027890.db2.gz	GQSPNQCTJJSSOB-JYRVWZFOSA-N	-1	0	288.322	3.636	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)oc1C	ZINC000799897861	1131114498	/nfs/dbraw/zinc/11/44/98/1131114498.db2.gz	SYDIHOPLJIBKGR-ONEGZZNKSA-N	-1	0	278.254	3.776	20	30		CHEDRM
N#C[C@H]1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000818991240	1131224141	/nfs/dbraw/zinc/22/41/41/1131224141.db2.gz	ABCPZVYGUXIKDA-ZYKYAXMNSA-N	-1	0	283.158	3.810	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000831732305	1131500315	/nfs/dbraw/zinc/50/03/15/1131500315.db2.gz	GPRCXLVTFLGNEW-JTQLQIEISA-N	-1	0	290.388	3.591	20	30		CHEDRM
Cc1c(N=NC2CCC[C@H](C)C2)cccc1C(=O)[O-]	ZINC000844626914	1131586679	/nfs/dbraw/zinc/58/66/79/1131586679.db2.gz	FAARSZIGJKCRKQ-JTQLQIEISA-N	-1	0	260.337	3.671	20	30		CHEDRM
Cc1c(N=NC2CC[C@H]2C(C)C)cccc1C(=O)[O-]	ZINC000844623679	1131587043	/nfs/dbraw/zinc/58/70/43/1131587043.db2.gz	QCRHOPUXMUYNLZ-NSHDSACASA-N	-1	0	260.337	3.527	20	30		CHEDRM
Cc1c(N=NC2CS[C@@H](C(C)C)C2)cccc1C(=O)[O-]	ZINC000844624091	1131587110	/nfs/dbraw/zinc/58/71/10/1131587110.db2.gz	UPHQZARGDWXEAD-CQSZACIVSA-N	-1	0	292.404	3.623	20	30		CHEDRM
Cc1c(N=NC2CCCC[C@H]2C)cccc1C(=O)[O-]	ZINC000844626939	1131587169	/nfs/dbraw/zinc/58/71/69/1131587169.db2.gz	FUDBXKKNMTUXEQ-SNVBAGLBSA-N	-1	0	260.337	3.671	20	30		CHEDRM
C=CCCCCCC[C@@H](C)Oc1nc(=O)[n-]c2c1COC2	ZINC001227686034	1131723440	/nfs/dbraw/zinc/72/34/40/1131723440.db2.gz	DTLHVRSUWJDSFB-GFCCVEGCSA-N	-1	0	292.379	3.506	20	30		CHEDRM
N#Cc1cc(Nc2cccc(Cl)c2F)c([O-])cc1F	ZINC001203036989	1131732242	/nfs/dbraw/zinc/73/22/42/1131732242.db2.gz	LFAMPWHUYBGQLK-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CC(CCC(F)(F)F)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009655	1131754036	/nfs/dbraw/zinc/75/40/36/1131754036.db2.gz	AGVKXRDLOPDAPI-UHFFFAOYSA-N	-1	0	292.232	3.654	20	30		CHEDRM
CC(=NNCc1ccccc1F)[C@H](C)CCCCC(=O)[O-]	ZINC000835012175	1131755624	/nfs/dbraw/zinc/75/56/24/1131755624.db2.gz	XRRLZYAZTIVBND-GFCCVEGCSA-N	-1	0	294.370	3.572	20	30		CHEDRM
CCCCC(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010238	1131755664	/nfs/dbraw/zinc/75/56/64/1131755664.db2.gz	ULUFXOBSQKMDHH-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
CC(C)n1nccc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000794943904	1131775915	/nfs/dbraw/zinc/77/59/15/1131775915.db2.gz	AHRKELQZQXWCJQ-GQCTYLIASA-N	-1	0	290.750	3.719	20	30		CHEDRM
CC(C)c1cc(C(=O)[N-]c2c(C#N)oc3ccccc32)no1	ZINC001147475079	1131823353	/nfs/dbraw/zinc/82/33/53/1131823353.db2.gz	JJRQRCZOQVIJSM-UHFFFAOYSA-N	-1	0	295.298	3.668	20	30		CHEDRM
N#CC[C@@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140832097	1131941218	/nfs/dbraw/zinc/94/12/18/1131941218.db2.gz	AJJACXGQCDPFLM-JTQLQIEISA-N	-1	0	299.201	3.825	20	30		CHEDRM
O=C(C=CC=Cc1ccccc1)c1sccc1[O-]	ZINC000773143156	1131961027	/nfs/dbraw/zinc/96/10/27/1131961027.db2.gz	NIRIPJZAWCDAKU-KBXRYBNXSA-N	-1	0	256.326	3.906	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])cnc1Cl	ZINC000773144101	1131961665	/nfs/dbraw/zinc/96/16/65/1131961665.db2.gz	XLAYZRKELCHAJV-IHWYPQMZSA-N	-1	0	279.748	3.707	20	30		CHEDRM
O=C(C=Cc1nc2c(s1)CCCC2)c1sccc1[O-]	ZINC000773147827	1131963300	/nfs/dbraw/zinc/96/33/00/1131963300.db2.gz	CSUCBLZNDMDJJQ-WAYWQWQTSA-N	-1	0	291.397	3.685	20	30		CHEDRM
O=C(C=Cc1nccc2ccccc12)c1sccc1[O-]	ZINC000773147894	1131963378	/nfs/dbraw/zinc/96/33/78/1131963378.db2.gz	CSVMXWNGNNZCBT-AATRIKPKSA-N	-1	0	281.336	3.898	20	30		CHEDRM
CC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(F)c1C	ZINC001228903038	1131975920	/nfs/dbraw/zinc/97/59/20/1131975920.db2.gz	UWXBKCDIROBJDO-CQSZACIVSA-N	-1	0	286.306	3.637	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@@H](C#N)c1cccc(F)c1	ZINC001229739592	1132113836	/nfs/dbraw/zinc/11/38/36/1132113836.db2.gz	ZGONRKXBXFGOOH-ZVCOJXFSSA-N	-1	0	284.290	3.668	20	30		CHEDRM
C=C[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229797557	1132119373	/nfs/dbraw/zinc/11/93/73/1132119373.db2.gz	GOHCLGVWYSBGOV-JTQLQIEISA-N	-1	0	282.295	3.605	20	30		CHEDRM
C=CCCC[C@H](C(=O)[N-]OC(C)C)c1ccccc1	ZINC001141475987	1132138192	/nfs/dbraw/zinc/13/81/92/1132138192.db2.gz	DSQLNEQHSAVESH-HNNXBMFYSA-N	-1	0	261.365	3.583	20	30		CHEDRM
C#CC[C@H](CC)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210817	1132271247	/nfs/dbraw/zinc/27/12/47/1132271247.db2.gz	YFCRGEWTYXLDDI-AWEZNQCLSA-N	-1	0	294.350	3.804	20	30		CHEDRM
CCC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000840707117	1132273162	/nfs/dbraw/zinc/27/31/62/1132273162.db2.gz	NPMPFLADDFZCPS-JRUYLCMPSA-N	-1	0	290.190	3.933	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc(C2CC2)cs1	ZINC000842939806	1132479494	/nfs/dbraw/zinc/47/94/94/1132479494.db2.gz	XXHVIYZQEPQKQV-BTDICHCPSA-N	-1	0	284.340	3.503	20	30		CHEDRM
N#CC[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232632404	1132499069	/nfs/dbraw/zinc/49/90/69/1132499069.db2.gz	YNKNZJUOEJIVNN-SNVBAGLBSA-N	-1	0	299.201	3.825	20	30		CHEDRM
CCOc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173850157	1132553983	/nfs/dbraw/zinc/55/39/83/1132553983.db2.gz	JOCZGUUJIYOJSQ-UHFFFAOYSA-N	-1	0	272.279	3.545	20	30		CHEDRM
CC(C)CC(CC(C)C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001152995115	1132589854	/nfs/dbraw/zinc/58/98/54/1132589854.db2.gz	IDOOSVLIEGZCRW-UHFFFAOYSA-N	-1	0	288.391	3.911	20	30		CHEDRM
C[C@H](Oc1ccc2sc(C#N)nc2c1)C1=CC=C[CH]1	ZINC001233702765	1132666371	/nfs/dbraw/zinc/66/63/71/1132666371.db2.gz	BYPLZYMLHCLEJV-JTQLQIEISA-N	-1	0	267.333	3.636	20	30		CHEDRM
C=C(C)C[C@H](Oc1cc([O-])cc2occc(=O)c12)C(=C)C	ZINC001233835165	1132688103	/nfs/dbraw/zinc/68/81/03/1132688103.db2.gz	VNGDGAXISQODPY-AWEZNQCLSA-N	-1	0	286.327	3.788	20	30		CHEDRM
CCC[C@@H](C)[C@@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919309	1132698031	/nfs/dbraw/zinc/69/80/31/1132698031.db2.gz	GIHYBUZLHYRRDR-ZWNOBZJWSA-N	-1	0	262.353	3.561	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H]2CC[C@H](C(C)(C)C)CC2)c1C#N	ZINC001233919448	1132698585	/nfs/dbraw/zinc/69/85/85/1132698585.db2.gz	RBYUPUXRORGERE-JOCQHMNTSA-N	-1	0	288.391	3.951	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C(F)(F)F)nc2)c([O-])cc1F	ZINC001174313015	1132790489	/nfs/dbraw/zinc/79/04/89/1132790489.db2.gz	XDDDOXLJNLBFAE-UHFFFAOYSA-N	-1	0	297.211	3.560	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])c(C)s1	ZINC001174420269	1132836960	/nfs/dbraw/zinc/83/69/60/1132836960.db2.gz	PEDJYRDTSCBEPE-UHFFFAOYSA-N	-1	0	262.309	3.825	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174496029	1132862319	/nfs/dbraw/zinc/86/23/19/1132862319.db2.gz	AHNMFMZKAPFAGJ-FNORWQNLSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203292158	1133311858	/nfs/dbraw/zinc/31/18/58/1133311858.db2.gz	GYBHHZADYBNEIL-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC001203292411	1133311891	/nfs/dbraw/zinc/31/18/91/1133311891.db2.gz	HRISVIMDTHWDCK-SNVBAGLBSA-N	-1	0	284.290	3.895	20	30		CHEDRM
CCCCN(CC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203581959	1133343090	/nfs/dbraw/zinc/34/30/90/1133343090.db2.gz	IOHVHYDYIZMJHU-UHFFFAOYSA-N	-1	0	287.190	3.825	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2ccsc2C(=O)[O-])cc1	ZINC001205586840	1133591815	/nfs/dbraw/zinc/59/18/15/1133591815.db2.gz	SQJDGIZVYCLCMI-VIFPVBQESA-N	-1	0	257.314	3.740	20	30		CHEDRM
N#Cc1cnc(-c2cc(F)c([O-])cc2F)c2sccc21	ZINC001206775882	1133747138	/nfs/dbraw/zinc/74/71/38/1133747138.db2.gz	PMAIBDAHANHGDD-UHFFFAOYSA-N	-1	0	288.278	3.819	20	30		CHEDRM
N#Cc1ccc(Nc2c([S-])cccc2Cl)cn1	ZINC001209653878	1134046979	/nfs/dbraw/zinc/04/69/79/1134046979.db2.gz	JERILRSHCVVJGR-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889732	1134095648	/nfs/dbraw/zinc/09/56/48/1134095648.db2.gz	QXEHOTGTZCKOBQ-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209889438	1134096007	/nfs/dbraw/zinc/09/60/07/1134096007.db2.gz	MRBCMHFZOHPKQQ-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(F)cc(C#N)c1	ZINC001210008870	1134121495	/nfs/dbraw/zinc/12/14/95/1134121495.db2.gz	WFIYAEFRDBESHP-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1ccc2ccccc2c1Nc1ccc(C(=O)[O-])nc1	ZINC001210176583	1134159604	/nfs/dbraw/zinc/15/96/04/1134159604.db2.gz	MIJKXMXMBSAVAZ-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2cccc(C(=O)[O-])c2F)cc1	ZINC001210242128	1134176652	/nfs/dbraw/zinc/17/66/52/1134176652.db2.gz	CHJOXOBXLXLKNC-SNVBAGLBSA-N	-1	0	284.290	3.895	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC001210400110	1134209207	/nfs/dbraw/zinc/20/92/07/1134209207.db2.gz	ATVKDWOTGBMMJF-UHFFFAOYSA-N	-1	0	297.314	3.845	20	30		CHEDRM
C[C@H]1CC(=O)C=C(Nc2ccc(Cl)cc2[S-])C1	ZINC001210773279	1134292947	/nfs/dbraw/zinc/29/29/47/1134292947.db2.gz	UVIVISXXQLBHCQ-MRVPVSSYSA-N	-1	0	267.781	3.924	20	30		CHEDRM
C[C@H]1CC(=O)C=C(Nc2c(Cl)ccc([O-])c2Cl)C1	ZINC001210773247	1134292963	/nfs/dbraw/zinc/29/29/63/1134292963.db2.gz	UBQUYSIMDYFHTO-SSDOTTSWSA-N	-1	0	286.158	3.994	20	30		CHEDRM
N#Cc1c(F)cc(Nc2cccc([S-])c2)cc1F	ZINC001210948573	1134337210	/nfs/dbraw/zinc/33/72/10/1134337210.db2.gz	WSFOFZLGQLHTLN-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccccc1C(=O)[O-]	ZINC001210965724	1134341436	/nfs/dbraw/zinc/34/14/36/1134341436.db2.gz	ARSKINCWDJFAAR-UHFFFAOYSA-N	-1	0	278.267	3.746	20	30		CHEDRM
COc1cc(Nc2ccc([C@H](C)C#N)cc2)cc(C(=O)[O-])c1	ZINC001213593136	1134466958	/nfs/dbraw/zinc/46/69/58/1134466958.db2.gz	YQJGFDILPCUQTF-LLVKDONJSA-N	-1	0	296.326	3.764	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213629599	1134471207	/nfs/dbraw/zinc/47/12/07/1134471207.db2.gz	HLDZKNDAVISRTK-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1C#N	ZINC001214490197	1134545266	/nfs/dbraw/zinc/54/52/66/1134545266.db2.gz	QLGCUMQUNFUBDA-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
N#Cc1cnoc1[N-]c1c(F)ccc(Cl)c1Cl	ZINC001214505349	1134546278	/nfs/dbraw/zinc/54/62/78/1134546278.db2.gz	SRBXQZXIFGHJJG-UHFFFAOYSA-N	-1	0	272.066	3.736	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1ccc(Cl)c([O-])c1F	ZINC001214799338	1134574668	/nfs/dbraw/zinc/57/46/68/1134574668.db2.gz	SBUOWFLTMPFXQW-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CC(=O)c1ccc(Nc2scc([O-])c2C#N)c(F)c1F	ZINC001214980056	1134590176	/nfs/dbraw/zinc/59/01/76/1134590176.db2.gz	BEOLJLWBVSZNTJ-UHFFFAOYSA-N	-1	0	294.282	3.550	20	30		CHEDRM
C#Cc1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)cc1F	ZINC001215615812	1134654400	/nfs/dbraw/zinc/65/44/00/1134654400.db2.gz	BODLVBBADCAWIM-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
N#Cc1ccc(F)c(-c2noc(-c3cccc([S-])c3)n2)c1	ZINC001215762185	1134678742	/nfs/dbraw/zinc/67/87/42/1134678742.db2.gz	YMTUYFZFRBSPBZ-UHFFFAOYSA-N	-1	0	297.314	3.703	20	30		CHEDRM
CSc1cc(F)cc(Nc2scc([O-])c2C#N)c1	ZINC001215901785	1134712876	/nfs/dbraw/zinc/71/28/76/1134712876.db2.gz	AJGLPQJEPSOSSH-UHFFFAOYSA-N	-1	0	280.349	3.930	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1c(Cl)ccnc1Cl	ZINC001216301243	1134842606	/nfs/dbraw/zinc/84/26/06/1134842606.db2.gz	JRRSWBCBSFEWCW-UHFFFAOYSA-N	-1	0	286.143	3.771	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216311492	1134846551	/nfs/dbraw/zinc/84/65/51/1134846551.db2.gz	LBLNWUBGFSGQLD-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1	ZINC001216313154	1134847514	/nfs/dbraw/zinc/84/75/14/1134847514.db2.gz	DYETTYMTVKLIEU-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1c(Nc2ccc(C#N)cc2Cl)cccc1C(=O)[O-]	ZINC001216660248	1134939785	/nfs/dbraw/zinc/93/97/85/1134939785.db2.gz	HHFCKBNKKZVHDP-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(C)cc(-c2noc(-c3ccc(C#N)cc3[O-])n2)c1	ZINC001217038516	1134959296	/nfs/dbraw/zinc/95/92/96/1134959296.db2.gz	BEJJHWQBEXWDSA-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
Cc1cc(-c2c(F)cc(C(=O)[O-])cc2F)cc(F)c1C#N	ZINC001222413037	1135238244	/nfs/dbraw/zinc/23/82/44/1135238244.db2.gz	UZWPJSFPCOZCSA-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
N#Cc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)c2cc[nH]c21	ZINC001222413142	1135238409	/nfs/dbraw/zinc/23/84/09/1135238409.db2.gz	YKSYEOJAPMVUSY-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222413124	1135238480	/nfs/dbraw/zinc/23/84/80/1135238480.db2.gz	XONYPRMZGXFIOX-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
C#C[C@H](CC)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940625	1135286508	/nfs/dbraw/zinc/28/65/08/1135286508.db2.gz	WPKWRKOWROQQSN-VGGUHSJCSA-N	-1	0	287.693	3.539	20	30		CHEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H](C)CCC(C)C)c1	ZINC001223892483	1135395063	/nfs/dbraw/zinc/39/50/63/1135395063.db2.gz	IOEUGBNPCDDVBJ-WGKGOADCSA-N	-1	0	295.379	3.681	20	30		CHEDRM
C=CC[C@H](CCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893061	1135396161	/nfs/dbraw/zinc/39/61/61/1135396161.db2.gz	QBFSLDFAUGOMMM-WGKGOADCSA-N	-1	0	293.363	3.601	20	30		CHEDRM
C=C[C@@H](CCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225886118	1135634122	/nfs/dbraw/zinc/63/41/22/1135634122.db2.gz	SGZVXIUPVPRWPT-LURJTMIESA-N	-1	0	264.218	3.682	20	30		CHEDRM
CCC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009109	1135651928	/nfs/dbraw/zinc/65/19/28/1135651928.db2.gz	SJTAHRAFOVIINS-CQSZACIVSA-N	-1	0	286.306	3.718	20	30		CHEDRM
CC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C1CCCCC1	ZINC001226008393	1135652025	/nfs/dbraw/zinc/65/20/25/1135652025.db2.gz	HCIDNBLSAZJBDG-ZDUSSCGKSA-N	-1	0	278.327	3.536	20	30		CHEDRM
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cccc([S-])c1	ZINC001226016813	1135653115	/nfs/dbraw/zinc/65/31/15/1135653115.db2.gz	VEUAAHISADPLCQ-NSHDSACASA-N	-1	0	280.389	3.641	20	30		CHEDRM
C=CC[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226220981	1135673604	/nfs/dbraw/zinc/67/36/04/1135673604.db2.gz	DSHVWTGLVLMCEN-HNNXBMFYSA-N	-1	0	280.327	3.664	20	30		CHEDRM
C[C@H]1C[C@@H](C([O-])=Nc2nc3ccsc3s2)CCC1=O	ZINC000329002845	227253994	/nfs/dbraw/zinc/25/39/94/227253994.db2.gz	WMELAFQTBMNUTJ-YUMQZZPRSA-N	-1	0	294.401	3.951	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000280853437	263064519	/nfs/dbraw/zinc/06/45/19/263064519.db2.gz	AFLNOPKLZAZZFW-AATRIKPKSA-N	-1	0	288.322	3.513	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000424833990	263823216	/nfs/dbraw/zinc/82/32/16/263823216.db2.gz	PLRWTICKNZXVAV-UHFFFAOYSA-N	-1	0	275.348	3.526	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000563716555	328493830	/nfs/dbraw/zinc/49/38/30/328493830.db2.gz	MMEWLBMFXLHICA-UHFFFAOYSA-N	-1	0	265.312	3.853	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccsc1Cl	ZINC000358691095	328892624	/nfs/dbraw/zinc/89/26/24/328892624.db2.gz	WVMGALGOWCRFBC-HNQUOIGGSA-N	-1	0	290.731	3.537	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000263307837	330051894	/nfs/dbraw/zinc/05/18/94/330051894.db2.gz	WHLYWBMJIYLLPZ-GFCCVEGCSA-N	-1	0	289.375	3.590	20	30		CHEDRM
CC1(C#N)CCC(Nc2cccc(CCC(=O)[O-])c2)CC1	ZINC000263482529	330057421	/nfs/dbraw/zinc/05/74/21/330057421.db2.gz	GPPKMQPDNPYMQU-UHFFFAOYSA-N	-1	0	286.375	3.588	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccsc2)n1	ZINC000080457785	330131330	/nfs/dbraw/zinc/13/13/30/330131330.db2.gz	NLSWURHKDSSBRI-SNVBAGLBSA-N	-1	0	276.386	3.818	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000443108879	330795372	/nfs/dbraw/zinc/79/53/72/330795372.db2.gz	KFBGMERKHKWEPY-ZDUSSCGKSA-N	-1	0	271.719	3.726	20	30		CHEDRM
C=CCCCCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000568223452	334806061	/nfs/dbraw/zinc/80/60/61/334806061.db2.gz	OPIJSPOHHZPCIH-UHFFFAOYSA-N	-1	0	285.746	3.661	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)[O-])cc1	ZINC000578523904	335645371	/nfs/dbraw/zinc/64/53/71/335645371.db2.gz	VCDRHQCTZFZUET-MJGOQNOKSA-N	-1	0	289.334	3.514	20	30		CHEDRM
C[C@H](Sc1nc(C2CC2)cc(=O)[nH]1)c1ccc(C#N)cc1	ZINC000195085635	336044802	/nfs/dbraw/zinc/04/48/02/336044802.db2.gz	YLYAPLLOHZUADW-JTQLQIEISA-N	-1	0	297.383	3.785	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC000062790379	526668091	/nfs/dbraw/zinc/66/80/91/526668091.db2.gz	JGFORSAGBVKZAB-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1ccc(NC(=O)[O-])cc1	ZINC000738424995	599706643	/nfs/dbraw/zinc/70/66/43/599706643.db2.gz	ISOJRGKXMLQLNY-UHFFFAOYSA-N	-1	0	271.251	3.531	20	30		CHEDRM
C=CCCCSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000736102248	600379582	/nfs/dbraw/zinc/37/95/82/600379582.db2.gz	FIPNUIMHRNIQRJ-UHFFFAOYSA-N	-1	0	263.318	3.584	20	30		CHEDRM
N#Cc1ccc(-c2ccccc2)nc1SCCCC(=O)[O-]	ZINC000738431008	600403694	/nfs/dbraw/zinc/40/36/94/600403694.db2.gz	QTNLOJHPXHTFGL-UHFFFAOYSA-N	-1	0	298.367	3.577	20	30		CHEDRM
C=CCOc1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-]	ZINC000736109346	600472366	/nfs/dbraw/zinc/47/23/66/600472366.db2.gz	JSINNSISXLHXLT-UHFFFAOYSA-N	-1	0	281.522	3.910	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1C	ZINC000734305346	600566898	/nfs/dbraw/zinc/56/68/98/600566898.db2.gz	RGOPKXKWKPZNRG-DHZHZOJOSA-N	-1	0	280.323	3.898	20	30		CHEDRM
C[C@H](Sc1ccc(C#N)cc1F)c1ccc(C(=O)[O-])o1	ZINC000736712876	600815666	/nfs/dbraw/zinc/81/56/66/600815666.db2.gz	QIISOLYHDLOYCE-QMMMGPOBSA-N	-1	0	291.303	3.842	20	30		CHEDRM
CC(C)(C#N)CCSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000826070541	600839569	/nfs/dbraw/zinc/83/95/69/600839569.db2.gz	AAPAJZNZHARDHP-UHFFFAOYSA-N	-1	0	290.344	3.558	20	30		CHEDRM
CCCc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000829567060	601297677	/nfs/dbraw/zinc/29/76/77/601297677.db2.gz	XGXNRQNCEPZNMG-QGZVFWFLSA-N	-1	0	294.354	3.749	20	30		CHEDRM
CCc1oc(C(=O)[O-])cc1CSc1ccc(C#N)cc1	ZINC000830395285	601406473	/nfs/dbraw/zinc/40/64/73/601406473.db2.gz	XOXKRYOQOUVZFL-UHFFFAOYSA-N	-1	0	287.340	3.704	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000825665151	602288451	/nfs/dbraw/zinc/28/84/51/602288451.db2.gz	VZOAGQUAYSSEHO-UHFFFAOYSA-N	-1	0	293.388	3.770	20	30		CHEDRM
N#Cc1cccc(S[C@H](C(=O)[O-])c2ccccc2F)c1	ZINC000833074770	602290621	/nfs/dbraw/zinc/29/06/21/602290621.db2.gz	BXHBWEVDMPYDRS-AWEZNQCLSA-N	-1	0	287.315	3.615	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc3c2N(C(=O)[O-])CC3)o1	ZINC000830176363	603811844	/nfs/dbraw/zinc/81/18/44/603811844.db2.gz	OQZBQQPLILHHJJ-SREVYHEPSA-N	-1	0	297.310	3.525	20	30		CHEDRM
O=C([O-])N1CCc2cccc(/C=C\C(=O)c3cccs3)c21	ZINC000831292873	603813054	/nfs/dbraw/zinc/81/30/54/603813054.db2.gz	RINRXGVBUBZBKY-SREVYHEPSA-N	-1	0	299.351	3.685	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Cl)s2)cc1	ZINC000833310942	604629068	/nfs/dbraw/zinc/62/90/68/604629068.db2.gz	ZYBYAPIHUUTJEA-ALCCZGGFSA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1cc(F)ccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832890397	604629825	/nfs/dbraw/zinc/62/98/25/604629825.db2.gz	UXCDYQHTNLXNHZ-VQHVLOKHSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(C)=CCCC(C)C=CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763377675	604669339	/nfs/dbraw/zinc/66/93/39/604669339.db2.gz	SKJJKEZTNWPXFQ-FPVBTWCSSA-N	-1	0	287.363	3.870	20	30		CHEDRM
C=C[C@@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000833371391	604764640	/nfs/dbraw/zinc/76/46/40/604764640.db2.gz	OPADZXLMKQNVJP-ZDUSSCGKSA-N	-1	0	296.322	3.650	20	30		CHEDRM
CC(C)(C)C[C@@H](Sc1ccc(C#N)cc1)C(=O)[O-]	ZINC000833429083	605152899	/nfs/dbraw/zinc/15/28/99/605152899.db2.gz	GZFBISGUUIUBJD-GFCCVEGCSA-N	-1	0	263.362	3.540	20	30		CHEDRM
C[C@H]1CCC[C@@H](CN=Nc2cccc(C(=O)[O-])c2)C1	ZINC000768358448	605593199	/nfs/dbraw/zinc/59/31/99/605593199.db2.gz	VQBNKJMCASBKRO-NWDGAFQWSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C#CCCCCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-]	ZINC000833362045	605600841	/nfs/dbraw/zinc/60/08/41/605600841.db2.gz	WVNREKDUBLLDRU-UHFFFAOYSA-N	-1	0	294.734	3.527	20	30		CHEDRM
CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001589644828	949713208	/nfs/dbraw/zinc/71/32/08/949713208.db2.gz	AYPXBDZGAJLKIY-LSDHHAIUSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCC[C@@H](C)CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001589645353	949723713	/nfs/dbraw/zinc/72/37/13/949723713.db2.gz	YJDWPINFYAMKEM-CXAGYDPISA-N	-1	0	297.439	3.600	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1	ZINC000006882885	956878339	/nfs/dbraw/zinc/87/83/39/956878339.db2.gz	MEGRLRHDVAMMGV-ZZXKWVIFSA-N	-1	0	292.743	3.996	20	30		CHEDRM
CCCCCCCCC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000043273673	957429231	/nfs/dbraw/zinc/42/92/31/957429231.db2.gz	WAEDTCMOZPUQME-UHFFFAOYSA-N	-1	0	291.391	3.752	20	30		CHEDRM
N#Cc1c(Cl)cccc1SCC1(CC(=O)[O-])CC1	ZINC000088113142	958045722	/nfs/dbraw/zinc/04/57/22/958045722.db2.gz	ADTUOSYSONPMBB-UHFFFAOYSA-N	-1	0	281.764	3.559	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1	ZINC001588444875	958369320	/nfs/dbraw/zinc/36/93/20/958369320.db2.gz	WXGPYXGFUPENPD-SREVYHEPSA-N	-1	0	297.310	3.663	20	30		CHEDRM
C=CCN(Cc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001588463896	958485988	/nfs/dbraw/zinc/48/59/88/958485988.db2.gz	APXSYRBDOKJYSS-UHFFFAOYSA-N	-1	0	267.328	3.577	20	30		CHEDRM
C#Cc1cccc(N(CCCC(=O)[O-])Cc2ccccc2)c1	ZINC001573313489	962733057	/nfs/dbraw/zinc/73/30/57/962733057.db2.gz	JRTRKXNMHDSYSL-UHFFFAOYSA-N	-1	0	293.366	3.539	20	30		CHEDRM
C=CC[C@H](C(=O)[O-])N1CCCc2cc(C(C)(C)C)ccc21	ZINC001573351135	962974612	/nfs/dbraw/zinc/97/46/12/962974612.db2.gz	PSBUTHWCSOEMDF-MRXNPFEDSA-N	-1	0	287.403	3.766	20	30		CHEDRM
C=CCCCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000312527036	963571945	/nfs/dbraw/zinc/57/19/45/963571945.db2.gz	UYJWQGGZQJNMDD-UHFFFAOYSA-N	-1	0	296.754	3.516	20	30		CHEDRM
C=CC[C@@H](CC)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000393752075	972634991	/nfs/dbraw/zinc/63/49/91/972634991.db2.gz	WOCDIGFVQOQPRV-LLVKDONJSA-N	-1	0	296.754	3.514	20	30		CHEDRM
CCCCCCCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-]	ZINC001603640759	973984249	/nfs/dbraw/zinc/98/42/49/973984249.db2.gz	QZPVDZGQPVYTLZ-ZIAGYGMSSA-N	-1	0	283.412	3.591	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000630327993	975255718	/nfs/dbraw/zinc/25/57/18/975255718.db2.gz	CSXOSJRUVUFEOD-JKSUJKDBSA-N	-1	0	299.370	3.582	20	30		CHEDRM
CC(C)[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000747735757	978687265	/nfs/dbraw/zinc/68/72/65/978687265.db2.gz	KCUZEFVEZXUTIO-ZDUSSCGKSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CC(CC1CCCC1)N=Nc1cccc(C(=O)[O-])c1	ZINC000752717174	978692659	/nfs/dbraw/zinc/69/26/59/978692659.db2.gz	CORUZQMOTJBGGN-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2c2ccccc2)nc1	ZINC000763368083	978721581	/nfs/dbraw/zinc/72/15/81/978721581.db2.gz	JSIZKZGPTUSJFB-CQSZACIVSA-N	-1	0	295.342	3.515	20	30		CHEDRM
CCc1cccc(F)c1C=NNc1ccccc1C(=O)[O-]	ZINC000794480825	978813074	/nfs/dbraw/zinc/81/30/74/978813074.db2.gz	AZEQDJMUZCGCRO-UHFFFAOYSA-N	-1	0	286.306	3.532	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814690971	978873696	/nfs/dbraw/zinc/87/36/96/978873696.db2.gz	HHKGXJATMOSLFU-VHSXEESVSA-N	-1	0	280.755	3.629	20	30		CHEDRM
Cc1ccc(C)c(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814753774	978880442	/nfs/dbraw/zinc/88/04/42/978880442.db2.gz	ZJOCSAPYMZYTTO-QWHCGFSZSA-N	-1	0	274.364	3.592	20	30		CHEDRM
Cc1cc(C)cc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814753589	978880801	/nfs/dbraw/zinc/88/08/01/978880801.db2.gz	QVBCXXXIVFYZNB-CHWSQXEVSA-N	-1	0	274.364	3.592	20	30		CHEDRM
CC(N=Nc1cccc(C#N)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814787268	978884772	/nfs/dbraw/zinc/88/47/72/978884772.db2.gz	XRPVZRSTNFRSDR-LBPRGKRZSA-N	-1	0	287.363	3.627	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc3cnccc32)CC[C@@H]1CC(=O)[O-]	ZINC000814835851	978890925	/nfs/dbraw/zinc/89/09/25/978890925.db2.gz	DGWGZPPVDGIQCN-NWDGAFQWSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CC(=NOCc1ccc(F)cc1)c1cc(C(=O)[O-])cs1	ZINC000814903311	978897465	/nfs/dbraw/zinc/89/74/65/978897465.db2.gz	CDQSMXDXBOZIAS-UHFFFAOYSA-N	-1	0	293.319	3.526	20	30		CHEDRM
CC1(C)CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835010167	979244071	/nfs/dbraw/zinc/24/40/71/979244071.db2.gz	RFPZTDWATCRRSN-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C[C@@H]1C(N=Nc2cc(F)cc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000853395772	979606947	/nfs/dbraw/zinc/60/69/47/979606947.db2.gz	KKZQHXFEQRLFDB-DTWKUNHWSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(F)c(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000863179129	979659566	/nfs/dbraw/zinc/65/95/66/979659566.db2.gz	PNXHOIQYUIADHW-BDAKNGLRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000909106899	981418276	/nfs/dbraw/zinc/41/82/76/981418276.db2.gz	HJGBEQRFIANUGG-CQSZACIVSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000909112773	981420495	/nfs/dbraw/zinc/42/04/95/981420495.db2.gz	LTSJOZJQKVHHSH-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000909287684	981459753	/nfs/dbraw/zinc/45/97/53/981459753.db2.gz	IOWXEGYNBPCHGB-KRWDZBQOSA-N	-1	0	289.375	3.590	20	30		CHEDRM
CCCCCCCC(=O)Oc1ccc(C(=O)[O-])cc1OC	ZINC001595705001	982281780	/nfs/dbraw/zinc/28/17/80/982281780.db2.gz	NJLJRARLLLHBEN-UHFFFAOYSA-N	-1	0	294.347	3.659	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1Cl	ZINC001588529803	983582459	/nfs/dbraw/zinc/58/24/59/983582459.db2.gz	HAOFUBIAAYLURW-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C(C)CCC(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl	ZINC001588554300	983630250	/nfs/dbraw/zinc/63/02/50/983630250.db2.gz	CPJBKBUKBWZRLK-UHFFFAOYSA-N	-1	0	281.739	3.641	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1	ZINC001588605486	983693062	/nfs/dbraw/zinc/69/30/62/983693062.db2.gz	JCKSCKCOPOBNCD-UHFFFAOYSA-N	-1	0	287.340	3.732	20	30		CHEDRM
C=C1CC(C)(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1	ZINC001588644197	983768675	/nfs/dbraw/zinc/76/86/75/983768675.db2.gz	GWBYYVLFKLKQFW-UHFFFAOYSA-N	-1	0	295.338	3.833	20	30		CHEDRM
C=CC(C)(C)CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588672973	983828357	/nfs/dbraw/zinc/82/83/57/983828357.db2.gz	GMGNAEMBCZUGFI-UHFFFAOYSA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC001588673404	983830203	/nfs/dbraw/zinc/83/02/03/983830203.db2.gz	WTCRGNOVECEKAH-UHFFFAOYSA-N	-1	0	281.377	3.604	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC001588691271	983879668	/nfs/dbraw/zinc/87/96/68/983879668.db2.gz	WDPHZNBAOHIVMP-SECBINFHSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@@H](Nc1ccc(SC(C)(C)C)cc1)C(=O)[O-]	ZINC001588702122	983918754	/nfs/dbraw/zinc/91/87/54/983918754.db2.gz	JTCCKLZOSMINAL-GFCCVEGCSA-N	-1	0	265.378	3.628	20	30		CHEDRM
C=CCCCCCS[C@@H](C)c1nc(C(=O)[O-])co1	ZINC001588799933	984242870	/nfs/dbraw/zinc/24/28/70/984242870.db2.gz	QNPMEVUTUPBKMG-JTQLQIEISA-N	-1	0	269.366	3.913	20	30		CHEDRM
C[C@@H](C(=O)[O-])c1cccc(NCCCC(C)(C)C#N)c1	ZINC001589532713	987217502	/nfs/dbraw/zinc/21/75/02/987217502.db2.gz	VAIAYEPLXUSSQW-GFCCVEGCSA-N	-1	0	274.364	3.617	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC001597519800	988141018	/nfs/dbraw/zinc/14/10/18/988141018.db2.gz	BKLVXELUUYJSRX-BQYQJAHWSA-N	-1	0	286.352	3.905	20	30		CHEDRM
CN(CCC1(C#N)CCCCC1)c1ccccc1C(=O)[O-]	ZINC001598471069	992027156	/nfs/dbraw/zinc/02/71/56/992027156.db2.gz	YAGGCZFMPWOUJQ-UHFFFAOYSA-N	-1	0	286.375	3.685	20	30		CHEDRM
C[C@@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1CC(=O)[O-]	ZINC001594120315	998268219	/nfs/dbraw/zinc/26/82/19/998268219.db2.gz	DYTKGHWWITYFKJ-QWHCGFSZSA-N	-1	0	294.439	3.621	20	30		CHEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC000835009392	1131753876	/nfs/dbraw/zinc/75/38/76/1131753876.db2.gz	RWENZRYQYSZYSA-SECBINFHSA-N	-1	0	266.316	3.604	20	30		CHEDRM
N#CC[C@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140832100	1131941616	/nfs/dbraw/zinc/94/16/16/1131941616.db2.gz	AJJACXGQCDPFLM-SNVBAGLBSA-N	-1	0	299.201	3.825	20	30		CHEDRM
COCc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1	ZINC000757475076	1125769901	/nfs/dbraw/zinc/76/99/01/1125769901.db2.gz	GTYRRKJJVYLLGL-TWGQIWQCSA-N	-1	0	286.302	3.574	20	30		CHEDRM
O=C(/C=C\c1cccc(F)c1)c1ccc(F)cc1[O-]	ZINC000757474648	1125770431	/nfs/dbraw/zinc/77/04/31/1125770431.db2.gz	CUXRPPNGGPKOPY-DAXSKMNVSA-N	-1	0	260.239	3.567	20	30		CHEDRM
C=CCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000185473133	1126900697	/nfs/dbraw/zinc/90/06/97/1126900697.db2.gz	RBXBBBOSVWREEK-UHFFFAOYSA-N	-1	0	274.147	3.994	20	30		CHEDRM
[O-]c1c(Br)cccc1C=NOC1CCCCC1	ZINC000777458485	1126939231	/nfs/dbraw/zinc/93/92/31/1126939231.db2.gz	IOOOHUPSFFMTHN-UHFFFAOYSA-N	-1	0	298.180	3.838	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000192851333	1126965233	/nfs/dbraw/zinc/96/52/33/1126965233.db2.gz	WOPLJSDCWHCQCB-SECBINFHSA-N	-1	0	281.739	3.579	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C=C2CCC2)s1	ZINC000797572620	1130994288	/nfs/dbraw/zinc/99/42/88/1130994288.db2.gz	DQGQHGUNDDVXAR-LLVKDONJSA-N	-1	0	274.389	3.727	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccnc2Cl)c([O-])c1	ZINC000156709120	1127166307	/nfs/dbraw/zinc/16/63/07/1127166307.db2.gz	TVSZIGBOGPTREF-FNORWQNLSA-N	-1	0	273.719	3.645	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1	ZINC000045098545	1127183187	/nfs/dbraw/zinc/18/31/87/1127183187.db2.gz	OMODHARWYHLYGA-UHFFFAOYSA-N	-1	0	297.420	3.865	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])c(C)c1	ZINC000224364531	1127259586	/nfs/dbraw/zinc/25/95/86/1127259586.db2.gz	GAJPXCGUDBOROB-YVMONPNESA-N	-1	0	268.312	3.611	20	30		CHEDRM
C[C@H](N=c1nc(C2CCCC2)[n-]s1)c1cccc(C#N)c1	ZINC000591459782	1127303655	/nfs/dbraw/zinc/30/36/55/1127303655.db2.gz	ILMAWRYFYAMEOM-NSHDSACASA-N	-1	0	298.415	3.662	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000592968242	1127364015	/nfs/dbraw/zinc/36/40/15/1127364015.db2.gz	JQWRSVUSGVFQFZ-NSHDSACASA-N	-1	0	251.285	3.679	20	30		CHEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000046927407	1127467564	/nfs/dbraw/zinc/46/75/64/1127467564.db2.gz	PKIYAGLNKLTZHY-ZDUSSCGKSA-N	-1	0	297.420	3.857	20	30		CHEDRM
Cc1ccc(F)cc1/C=C\C(=O)c1ccc(O)cc1	ZINC000777912628	1128320502	/nfs/dbraw/zinc/32/05/02/1128320502.db2.gz	WLBXMJSMXLZNEB-UITAMQMPSA-N	-1	0	256.276	3.736	20	30		CHEDRM
Cc1ccc(F)cc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000777917172	1128324518	/nfs/dbraw/zinc/32/45/18/1128324518.db2.gz	ZAEUYLRJGGTVDK-ZZXKWVIFSA-N	-1	0	274.266	3.875	20	30		CHEDRM
CCC(=NNc1ccc(C(=O)[O-])cc1)c1cccs1	ZINC000916240908	1128412658	/nfs/dbraw/zinc/41/26/58/1128412658.db2.gz	VCADKBWYYZJGIN-UHFFFAOYSA-N	-1	0	274.345	3.673	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccc(F)cn1	ZINC000763098499	1128351397	/nfs/dbraw/zinc/35/13/97/1128351397.db2.gz	YBHLVNMLAAHQAF-YAXRCOADSA-N	-1	0	299.132	3.852	20	30		CHEDRM
CC(C)Oc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000915955400	1128396462	/nfs/dbraw/zinc/39/64/62/1128396462.db2.gz	DJPFKRNHFLEEIX-UHFFFAOYSA-N	-1	0	298.342	3.618	20	30		CHEDRM
CCC(C[C@H](C)CC)N=Nc1ccc(C(=O)[O-])cc1	ZINC000915933666	1128397122	/nfs/dbraw/zinc/39/71/22/1128397122.db2.gz	NGYDHWRDIOTFKT-LLVKDONJSA-N	-1	0	262.353	3.999	20	30		CHEDRM
Cc1ccccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915989932	1128401784	/nfs/dbraw/zinc/40/17/84/1128401784.db2.gz	GUEFOWLOGPDVFG-KHPPLWFESA-N	-1	0	280.323	3.518	20	30		CHEDRM
COc1ccc(C)cc1/C=C1\Oc2cc(O)cc(C)c2C1=O	ZINC000915988812	1128401901	/nfs/dbraw/zinc/40/19/01/1128401901.db2.gz	IBNKMZUXWHOCNY-PXNMLYILSA-N	-1	0	296.322	3.634	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1cc(F)ccc1F)O2	ZINC000915988750	1128401935	/nfs/dbraw/zinc/40/19/35/1128401935.db2.gz	FOIOAIYWHNRVHG-NSIKDUERSA-N	-1	0	288.249	3.595	20	30		CHEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C(C)C	ZINC000916259368	1128412409	/nfs/dbraw/zinc/41/24/09/1128412409.db2.gz	HZWVGFCPSGJHFJ-UHFFFAOYSA-N	-1	0	268.744	3.872	20	30		CHEDRM
CC(C)[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1C	ZINC000763369263	1128419067	/nfs/dbraw/zinc/41/90/67/1128419067.db2.gz	USQOLCSHNWPYBV-SMDDNHRTSA-N	-1	0	289.379	3.640	20	30		CHEDRM
CS[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000901249009	1128532577	/nfs/dbraw/zinc/53/25/77/1128532577.db2.gz	QPJPSUSXTDVWBT-LLVKDONJSA-N	-1	0	296.367	3.597	20	30		CHEDRM
C=CCOc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1	ZINC000556282704	1128572702	/nfs/dbraw/zinc/57/27/02/1128572702.db2.gz	ZQCFXZRUANAHTI-UTCJRWHESA-N	-1	0	281.311	3.515	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000047375814	1128669823	/nfs/dbraw/zinc/66/98/23/1128669823.db2.gz	KXUMGWOFEJYEKF-CQSZACIVSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CC[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000048456625	1128711198	/nfs/dbraw/zinc/71/11/98/1128711198.db2.gz	MACFBDYGLCYGAX-MDHSVXEESA-N	-1	0	276.336	3.688	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1	ZINC000175314772	1128723721	/nfs/dbraw/zinc/72/37/21/1128723721.db2.gz	ATTVRXNMHWGNNG-QPJJXVBHSA-N	-1	0	274.266	3.875	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc3ccccc32)c1	ZINC000179729926	1128755912	/nfs/dbraw/zinc/75/59/12/1128755912.db2.gz	ZPAJHVFBURSAAX-UHFFFAOYSA-N	-1	0	288.306	3.669	20	30		CHEDRM
CCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000121052327	1118258128	/nfs/dbraw/zinc/25/81/28/1118258128.db2.gz	VWZGUWUSBKFFBX-AWEZNQCLSA-N	-1	0	296.370	3.948	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ns1	ZINC000683689722	1118285470	/nfs/dbraw/zinc/28/54/70/1118285470.db2.gz	KFBVPKDBAVMVBL-SECBINFHSA-N	-1	0	291.401	3.522	20	30		CHEDRM
O=C(C#CC1CC1)Nc1cc(Cl)c(O)c2ccccc12	ZINC001167444509	1118536731	/nfs/dbraw/zinc/53/67/31/1118536731.db2.gz	HZVVIUWXPASGDD-UHFFFAOYSA-N	-1	0	285.730	3.551	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1F	ZINC000255277528	1118543216	/nfs/dbraw/zinc/54/32/16/1118543216.db2.gz	FKTOFBYRNBCPQS-RJRFIUFISA-N	-1	0	296.219	3.845	20	30		CHEDRM
Cc1cc(Nc2cnc(C#N)c(Cl)c2)cc(O)c1F	ZINC001216078731	1118739026	/nfs/dbraw/zinc/73/90/26/1118739026.db2.gz	BUEQQSQQQUVDQX-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
C=CCCC(N=Nc1ccc(C(=O)[O-])cc1F)C1CC1	ZINC000835011487	1118767726	/nfs/dbraw/zinc/76/77/26/1118767726.db2.gz	GKCZKZHULWNMDE-UHFFFAOYSA-N	-1	0	276.311	3.668	20	30		CHEDRM
O=C(/C=C/c1ccc2cnccc2c1)c1ccc(O)cc1	ZINC000782300730	1118854923	/nfs/dbraw/zinc/85/49/23/1118854923.db2.gz	HUEZRPBQYXLZTH-KRXBUXKQSA-N	-1	0	275.307	3.837	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccco2)c1Cl	ZINC000588559678	1119260455	/nfs/dbraw/zinc/26/04/55/1119260455.db2.gz	WYLBLVVWZSSORI-SREVYHEPSA-N	-1	0	276.675	3.527	20	30		CHEDRM
CC(C)Oc1ccc(F)c(Nc2scc([O-])c2C#N)c1	ZINC001212310684	1128839124	/nfs/dbraw/zinc/83/91/24/1128839124.db2.gz	RRFBANYRKRWQBI-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
O=C(/C=C\c1ccccc1F)c1ccc([O-])c(F)c1	ZINC000255593685	1119532277	/nfs/dbraw/zinc/53/22/77/1119532277.db2.gz	BYGNPHBTDRJVQX-ALCCZGGFSA-N	-1	0	260.239	3.567	20	30		CHEDRM
N#Cc1ccc(CCNc2ccc3oc(=S)[n-]c3c2)cc1	ZINC001167679235	1119659646	/nfs/dbraw/zinc/65/96/46/1119659646.db2.gz	NNLNCQNQWHYTNE-UHFFFAOYSA-N	-1	0	295.367	3.643	20	30		CHEDRM
N#CC(=C([O-])c1cccs1)c1nc(C2CC2)cs1	ZINC000647371726	1119699588	/nfs/dbraw/zinc/69/95/88/1119699588.db2.gz	XJTRGPBTLLHKFM-VIFPVBQESA-N	-1	0	274.370	3.572	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cs1	ZINC000647379911	1119712604	/nfs/dbraw/zinc/71/26/04/1119712604.db2.gz	XTLHVTHWNHBAPN-NSHDSACASA-N	-1	0	288.397	3.881	20	30		CHEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000617781634	1128869350	/nfs/dbraw/zinc/86/93/50/1128869350.db2.gz	QTAJDLARNQROKE-SNVBAGLBSA-N	-1	0	297.757	3.613	20	30		CHEDRM
C[C@H](NCC1(C#N)CCCCC1)c1cc(O)cc(F)c1	ZINC000926714039	1119841615	/nfs/dbraw/zinc/84/16/15/1119841615.db2.gz	YFSJJVWNDKCZBS-LBPRGKRZSA-N	-1	0	276.355	3.656	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1C	ZINC000765825564	1120111657	/nfs/dbraw/zinc/11/16/57/1120111657.db2.gz	PXYNSTPRNRHOMO-CLFYSBASSA-N	-1	0	280.323	3.898	20	30		CHEDRM
N#Cc1cccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000119265883	1120196794	/nfs/dbraw/zinc/19/67/94/1120196794.db2.gz	QAVWVYYMZGHXTA-GQCTYLIASA-N	-1	0	283.714	3.813	20	30		CHEDRM
N#Cc1c(F)cc(-c2cc(F)ccc2[S-])cc1F	ZINC001239930336	1120208958	/nfs/dbraw/zinc/20/89/58/1120208958.db2.gz	BCCMZAZZVOJEOX-UHFFFAOYSA-N	-1	0	265.259	3.931	20	30		CHEDRM
CC(=NN1CCCC[C@@H]1C)[C@@H](C)CCCCC(=O)[O-]	ZINC000853381483	1120216651	/nfs/dbraw/zinc/21/66/51/1120216651.db2.gz	DJDPKLGICPPLSH-STQMWFEESA-N	-1	0	268.401	3.518	20	30		CHEDRM
C[C@H]1CC(C)(C)CC1N=Nc1cccc(C(=O)[O-])c1	ZINC000765992574	1120547782	/nfs/dbraw/zinc/54/77/82/1120547782.db2.gz	LPVARRNZLSPGPH-JTQLQIEISA-N	-1	0	260.337	3.609	20	30		CHEDRM
C=CCCC(C)(C)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000709387396	1120556429	/nfs/dbraw/zinc/55/64/29/1120556429.db2.gz	AEEQNDNMSIELLH-UHFFFAOYSA-N	-1	0	281.783	3.768	20	30		CHEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC1CCCC1	ZINC000046927937	1120569818	/nfs/dbraw/zinc/56/98/18/1120569818.db2.gz	KPMAJKKWLYJHIG-UHFFFAOYSA-N	-1	0	295.404	3.611	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(C(=O)[O-])c(C)c2)cc1C#N	ZINC001211663366	1120696248	/nfs/dbraw/zinc/69/62/48/1120696248.db2.gz	GTTLUCDJQXBACA-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(C)cc1	ZINC000756906224	1120975165	/nfs/dbraw/zinc/97/51/65/1120975165.db2.gz	VTCZMEJXPRQISA-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])s2)cc1	ZINC001174810092	1121055854	/nfs/dbraw/zinc/05/58/54/1121055854.db2.gz	FSLYWVRMGWDTKF-SECBINFHSA-N	-1	0	272.329	3.817	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174809776	1121055913	/nfs/dbraw/zinc/05/59/13/1121055913.db2.gz	SDAXXPLBTNUOSC-UHFFFAOYSA-N	-1	0	286.356	3.991	20	30		CHEDRM
N#Cc1cc(Nc2ccc(F)c(F)c2F)c([O-])cc1F	ZINC001174972092	1121101280	/nfs/dbraw/zinc/10/12/80/1121101280.db2.gz	OJXXDSOWPTXKSG-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC001174953783	1121109222	/nfs/dbraw/zinc/10/92/22/1121109222.db2.gz	OBWNHTDXWWIOKG-GFCCVEGCSA-N	-1	0	280.327	3.684	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccccc1CC#N	ZINC001174983570	1121141043	/nfs/dbraw/zinc/14/10/43/1121141043.db2.gz	CUEANOLKJBIDJJ-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(F)cc(F)cc1C#N	ZINC001174984908	1121142606	/nfs/dbraw/zinc/14/26/06/1121142606.db2.gz	WCBNDQGMOGKPPP-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCOc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1F	ZINC001175052410	1121161241	/nfs/dbraw/zinc/16/12/41/1121161241.db2.gz	BPMWXQIJTGQOBC-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)c(F)cc2F)c([O-])cc1F	ZINC001175087437	1121179628	/nfs/dbraw/zinc/17/96/28/1121179628.db2.gz	SKPFHAMTVKWABG-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
CCOc1ccc(C)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001175124805	1121194343	/nfs/dbraw/zinc/19/43/43/1121194343.db2.gz	WYIKEXRIZQZVOR-UHFFFAOYSA-N	-1	0	286.306	3.854	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1Cl	ZINC001175219188	1121228295	/nfs/dbraw/zinc/22/82/95/1121228295.db2.gz	YANUPDLUZNFRCH-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C)c1	ZINC001175246250	1121244315	/nfs/dbraw/zinc/24/43/15/1121244315.db2.gz	TXHNKTARYBPKBW-UHFFFAOYSA-N	-1	0	286.306	3.854	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175319090	1121280624	/nfs/dbraw/zinc/28/06/24/1121280624.db2.gz	LJVSQHNPHMNRAY-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#CCc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1F	ZINC001176597135	1121651652	/nfs/dbraw/zinc/65/16/52/1121651652.db2.gz	FONMLLIKXMKYFM-FPYGCLRLSA-N	-1	0	296.301	3.733	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176712634	1121690395	/nfs/dbraw/zinc/69/03/95/1121690395.db2.gz	LQJDOJJNSRXLPS-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
Cc1cc(C#N)cc(Cl)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176712240	1121690522	/nfs/dbraw/zinc/69/05/22/1121690522.db2.gz	KBLZWAMGIMWHJG-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2c(F)cccc2F)cs1	ZINC000730149507	1121794564	/nfs/dbraw/zinc/79/45/64/1121794564.db2.gz	XVNDKPVTUKJACN-SNAWJCMRSA-N	-1	0	294.278	3.621	20	30		CHEDRM
CC(C)CNC(=S)[N-]c1ccccc1SCCC#N	ZINC000730952951	1121839242	/nfs/dbraw/zinc/83/92/42/1121839242.db2.gz	GOJDBLMXHIIMKT-UHFFFAOYSA-N	-1	0	293.461	3.635	20	30		CHEDRM
C=CC[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225563160	1121847594	/nfs/dbraw/zinc/84/75/94/1121847594.db2.gz	RNIXQMFXICTNNN-NSHDSACASA-N	-1	0	276.723	3.532	20	30		CHEDRM
Cc1ccccc1C(N=Nc1cccc(C(=O)[O-])c1)C1CC1	ZINC000731923156	1121894291	/nfs/dbraw/zinc/89/42/91/1121894291.db2.gz	XLJHAUWFXNKYBR-UHFFFAOYSA-N	-1	0	294.354	3.919	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)C2CCCCC2)c1	ZINC000126336841	1121994133	/nfs/dbraw/zinc/99/41/33/1121994133.db2.gz	IZFGWXHTAREKBN-MDZDMXLPSA-N	-1	0	258.317	3.547	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000774117440	1122126484	/nfs/dbraw/zinc/12/64/84/1122126484.db2.gz	VUOQJEVSUVWUCC-CMDGGOBGSA-N	-1	0	280.323	3.898	20	30		CHEDRM
C=CC[C@@H](NC(=O)Cc1ccc([S-])cc1)c1ccccc1	ZINC001183191649	1122210381	/nfs/dbraw/zinc/21/03/81/1122210381.db2.gz	AXRHOOXNIDXEGI-QGZVFWFLSA-N	-1	0	297.423	3.951	20	30		CHEDRM
C=CCN(C(=O)c1cccc([S-])c1)C1CCCCC1	ZINC001186148267	1122376919	/nfs/dbraw/zinc/37/69/19/1122376919.db2.gz	BUOKXZFJRHQTRH-UHFFFAOYSA-N	-1	0	275.417	3.936	20	30		CHEDRM
N#Cc1ccc2ccnc(-c3ccsc3C(=O)[O-])c2c1	ZINC001205377368	1122408217	/nfs/dbraw/zinc/40/82/17/1122408217.db2.gz	AGCVWCUKUXYTEG-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)Oc2ccc(Cl)cc2)c1	ZINC001194055328	1122743840	/nfs/dbraw/zinc/74/38/40/1122743840.db2.gz	ADYRUQJQMVALIH-UHFFFAOYSA-N	-1	0	288.690	3.528	20	30		CHEDRM
N#Cc1cc(O)ccc1NC(=O)Oc1ccc(Cl)cc1	ZINC001194060947	1122744101	/nfs/dbraw/zinc/74/41/01/1122744101.db2.gz	AASVPGRFQJOJFA-UHFFFAOYSA-N	-1	0	288.690	3.528	20	30		CHEDRM
CCCCCCCCOC(=O)N=c1nc(C)[n-]s1	ZINC001194730200	1122792194	/nfs/dbraw/zinc/79/21/94/1122792194.db2.gz	BDSVAQIAFLTUBE-UHFFFAOYSA-N	-1	0	271.386	3.756	20	30		CHEDRM
CCc1cnccc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000776190332	1123108478	/nfs/dbraw/zinc/10/84/78/1123108478.db2.gz	RRYMIHGMDVPYHU-ARJAWSKDSA-N	-1	0	289.281	3.524	20	30		CHEDRM
COc1cccc(OC)c1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000776190187	1123109380	/nfs/dbraw/zinc/10/93/80/1123109380.db2.gz	PJOQSZDOCRKLBQ-MDZDMXLPSA-N	-1	0	298.338	3.614	20	30		CHEDRM
O=C(/C=C/c1nc2c(s1)CCCC2)c1ccccc1[O-]	ZINC000776266513	1123194569	/nfs/dbraw/zinc/19/45/69/1123194569.db2.gz	RRUUEYHDWQMREE-MDZDMXLPSA-N	-1	0	285.368	3.624	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000108014064	1123229636	/nfs/dbraw/zinc/22/96/36/1123229636.db2.gz	YVYNSMMMJKOTLH-HNNXBMFYSA-N	-1	0	297.439	3.840	20	30		CHEDRM
Cc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)cc1F	ZINC000853438106	1123440204	/nfs/dbraw/zinc/44/02/04/1123440204.db2.gz	ORWWPQXBCMDYQQ-UHFFFAOYSA-N	-1	0	278.327	3.567	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000113771983	1123541408	/nfs/dbraw/zinc/54/14/08/1123541408.db2.gz	OLIZQPYINMSPGI-HWKANZROSA-N	-1	0	289.312	3.566	20	30		CHEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	ZINC000856030634	1123545240	/nfs/dbraw/zinc/54/52/40/1123545240.db2.gz	KRWMSCRDDFBZMW-AWEZNQCLSA-N	-1	0	291.391	3.510	20	30		CHEDRM
S=c1[nH]c2ccccc2nc1N=NC1CCCC1	ZINC000863130030	1123847408	/nfs/dbraw/zinc/84/74/08/1123847408.db2.gz	ZWWMHRJCUUQFNT-UHFFFAOYSA-N	-1	0	258.350	3.634	20	30		CHEDRM
C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])[C@H](C)O1	ZINC000864346878	1123924234	/nfs/dbraw/zinc/92/42/34/1123924234.db2.gz	FYJLIFGXSUQBCS-JLPMMUIESA-N	-1	0	288.174	3.684	20	30		CHEDRM
O=C(/C=C\c1ccc2occc2c1)c1ccc(O)cc1[O-]	ZINC000794701456	1123936855	/nfs/dbraw/zinc/93/68/55/1123936855.db2.gz	LQYPKRDVRKDCDB-KTAJNNJTSA-N	-1	0	280.279	3.740	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000819388123	1131246786	/nfs/dbraw/zinc/24/67/86/1131246786.db2.gz	UBGROOUNAHAMSZ-UHFFFAOYSA-N	-1	0	276.361	3.657	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1nc2ccccc2s1	ZINC000819937547	1131269990	/nfs/dbraw/zinc/26/99/90/1131269990.db2.gz	TXBMXQYBCLFNBT-JTQLQIEISA-N	-1	0	286.331	3.880	20	30		CHEDRM
N#Cc1ccc2ccnc(-c3ccc(C(=O)[O-])cc3F)c2c1	ZINC001239245708	1131307266	/nfs/dbraw/zinc/30/72/66/1131307266.db2.gz	RMIDEHLQSYIECC-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239336343	1131319369	/nfs/dbraw/zinc/31/93/69/1131319369.db2.gz	DLQOWZLXUFTHEF-UHFFFAOYSA-N	-1	0	289.281	3.762	20	30		CHEDRM
C=C(C)c1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)nc1	ZINC001239339747	1131319796	/nfs/dbraw/zinc/31/97/96/1131319796.db2.gz	PKIWQXLHKDJNSF-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239346200	1131320511	/nfs/dbraw/zinc/32/05/11/1131320511.db2.gz	OLRRRSGTRAHFJJ-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
CC(C)(C)c1[n-]n(CC2CC(C)(C)C2)c(=O)c1CCC#N	ZINC000530159532	1125128274	/nfs/dbraw/zinc/12/82/74/1125128274.db2.gz	DDKFLIJEZYMYAI-UHFFFAOYSA-N	-1	0	289.423	3.779	20	30		CHEDRM
O=C(/C=C/c1cc(F)c(F)cc1F)c1ccc([O-])c(F)c1	ZINC000130063232	1125355804	/nfs/dbraw/zinc/35/58/04/1125355804.db2.gz	POPYEIVDCSDNPE-HNQUOIGGSA-N	-1	0	296.219	3.845	20	30		CHEDRM
C[C@H](Oc1cccc(C#N)c1Br)C1=CC=C[CH]1	ZINC001229004002	1125365245	/nfs/dbraw/zinc/36/52/45/1125365245.db2.gz	BUISTUXHCNBSMV-JTQLQIEISA-N	-1	0	289.152	3.789	20	30		CHEDRM
CCc1sc(C([O-])=C(C#N)c2nc(C)cs2)cc1C	ZINC000041521522	1125433305	/nfs/dbraw/zinc/43/33/05/1125433305.db2.gz	GFOGWFWKLILNAI-JTQLQIEISA-N	-1	0	290.413	3.874	20	30		CHEDRM
C=CCN(C(=O)c1cc(Cl)ccc1[O-])c1ccccc1	ZINC000641897220	1129396248	/nfs/dbraw/zinc/39/62/48/1129396248.db2.gz	MFRQFVZCXNJHPN-UHFFFAOYSA-N	-1	0	287.746	3.878	20	30		CHEDRM
Cc1ccc(-c2nccc(C(F)(F)F)c2C#N)c([O-])c1	ZINC001241028106	1129410041	/nfs/dbraw/zinc/41/00/41/1129410041.db2.gz	JPZVKUMJVCTGFL-UHFFFAOYSA-N	-1	0	278.233	3.653	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cc2cc(F)ccc2o1	ZINC000741758823	1129450085	/nfs/dbraw/zinc/45/00/85/1129450085.db2.gz	IJMWEOYXWCCYDN-UHFFFAOYSA-N	-1	0	298.273	3.716	20	30		CHEDRM
Cc1ccccc1CC(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000743418917	1129523985	/nfs/dbraw/zinc/52/39/85/1129523985.db2.gz	MPCGFMANCOEACW-UHFFFAOYSA-N	-1	0	282.343	3.724	20	30		CHEDRM
CCCCCC[C@H](C)NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000743449079	1129524278	/nfs/dbraw/zinc/52/42/78/1129524278.db2.gz	MNIFFNWRNODVED-LBPRGKRZSA-N	-1	0	293.367	3.583	20	30		CHEDRM
Cc1cc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)ccc1C#N	ZINC000766491359	1129670249	/nfs/dbraw/zinc/67/02/49/1129670249.db2.gz	OHDDGARLYQCAPU-MZECIPTHSA-N	-1	0	296.351	3.591	20	30		CHEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc(Cl)c([O-])c1	ZINC001212594382	1129753327	/nfs/dbraw/zinc/75/33/27/1129753327.db2.gz	YHEMIQMGNRJAJK-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
Cc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c(C)o1	ZINC000767893609	1129817612	/nfs/dbraw/zinc/81/76/12/1129817612.db2.gz	QEVBWCHGOHUYBX-UHFFFAOYSA-N	-1	0	292.722	3.694	20	30		CHEDRM
Cc1ccc(Nc2ccc(C#N)cc2Cl)cc1C(=O)[O-]	ZINC000110989245	1129843507	/nfs/dbraw/zinc/84/35/07/1129843507.db2.gz	CKKARQVINDZGCY-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(Nc2ccc(Cl)cc2C#N)cc1C(=O)[O-]	ZINC000110989041	1129843805	/nfs/dbraw/zinc/84/38/05/1129843805.db2.gz	HCJHVXQSDUJTDP-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
[O-]c1c(F)cc(Cl)cc1C=NOCc1ccccc1	ZINC000768354351	1129854132	/nfs/dbraw/zinc/85/41/32/1129854132.db2.gz	ICMGQKVLGZUABY-UHFFFAOYSA-N	-1	0	279.698	3.735	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC3(C2)CCCC3)cc1F	ZINC000901249587	1129913035	/nfs/dbraw/zinc/91/30/35/1129913035.db2.gz	ZOUVXIFXZZZJCL-UHFFFAOYSA-N	-1	0	276.311	3.646	20	30		CHEDRM
C[C@H](C#N)CN(Cc1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000769544398	1129917200	/nfs/dbraw/zinc/91/72/00/1129917200.db2.gz	KZLKULNFECLMLP-SECBINFHSA-N	-1	0	299.201	3.823	20	30		CHEDRM
CC(=NNc1cccc2cnccc21)c1sccc1[O-]	ZINC000769781443	1129925226	/nfs/dbraw/zinc/92/52/26/1129925226.db2.gz	HFNROKMKBWTQFU-UHFFFAOYSA-N	-1	0	283.356	3.838	20	30		CHEDRM
C=C(Cl)C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901939508	1129966826	/nfs/dbraw/zinc/96/68/26/1129966826.db2.gz	TWZKJADYGZSQQC-ZYHUDNBSSA-N	-1	0	293.750	3.679	20	30		CHEDRM
CCC[C@@H](C)C(CC)N=Nc1cccc(C(=O)[O-])c1	ZINC000748246034	1130224555	/nfs/dbraw/zinc/22/45/55/1130224555.db2.gz	HQEMDOAMAKFBAT-LLVKDONJSA-N	-1	0	262.353	3.999	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NCC(C(C)C)C(C)C	ZINC000789033905	1130226898	/nfs/dbraw/zinc/22/68/98/1130226898.db2.gz	KMRUPPRIWAHVIY-UHFFFAOYSA-N	-1	0	292.379	3.719	20	30		CHEDRM
C=C(C)c1ccc(-c2cccc(/C=C/C(=O)[O-])c2)nc1	ZINC001240549230	1130351630	/nfs/dbraw/zinc/35/16/30/1130351630.db2.gz	WILOPTMRWBUHTI-RMKNXTFCSA-N	-1	0	265.312	3.880	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000772798130	1130453763	/nfs/dbraw/zinc/45/37/63/1130453763.db2.gz	SPODTGJOLDEWKV-YVMONPNESA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C#N)c2ccccc2n1	ZINC001240999954	1130558505	/nfs/dbraw/zinc/55/85/05/1130558505.db2.gz	ATFSVTRHBLOLGW-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(F)cc(C)c1C#N	ZINC001241002279	1130559083	/nfs/dbraw/zinc/55/90/83/1130559083.db2.gz	VTLHKZMLBJFNEW-UHFFFAOYSA-N	-1	0	269.275	3.679	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(CC#N)ccc1F	ZINC001241002720	1130560215	/nfs/dbraw/zinc/56/02/15/1130560215.db2.gz	LNFLHRZBSCNVEQ-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
Cc1ccc(-c2cc(C(=O)[O-])ccc2C)c(C)c1C#N	ZINC001241003085	1130560339	/nfs/dbraw/zinc/56/03/39/1130560339.db2.gz	SREVCEJJRPMOAW-UHFFFAOYSA-N	-1	0	265.312	3.849	20	30		CHEDRM
[O-]c1c(F)cc(Cl)cc1C=NOCc1ccc(F)cc1	ZINC000758144641	1130601041	/nfs/dbraw/zinc/60/10/41/1130601041.db2.gz	VKZBXICCRFAARO-UHFFFAOYSA-N	-1	0	297.688	3.875	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1cccnc1Cl	ZINC001234821577	1130678674	/nfs/dbraw/zinc/67/86/74/1130678674.db2.gz	HKFGUYXEKJFQEJ-JTQLQIEISA-N	-1	0	276.723	3.683	20	30		CHEDRM
COc1ccc(F)cc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000812243681	1130679728	/nfs/dbraw/zinc/67/97/28/1130679728.db2.gz	RMNAHHRCRFDQER-KXFIGUGUSA-N	-1	0	290.265	3.575	20	30		CHEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000812442477	1130691223	/nfs/dbraw/zinc/69/12/23/1130691223.db2.gz	DGKLUVAUZXWFKI-UHFFFAOYSA-N	-1	0	268.316	3.611	20	30		CHEDRM
Cc1nc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c(C)c1C	ZINC001235267506	1130731105	/nfs/dbraw/zinc/73/11/05/1130731105.db2.gz	AXBLUISTVCFDQN-RMKNXTFCSA-N	-1	0	292.338	3.643	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235623675	1130758974	/nfs/dbraw/zinc/75/89/74/1130758974.db2.gz	SJLWAZZVCVMTTF-WEVVVXLNSA-N	-1	0	277.323	3.826	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])cs1)C2	ZINC000782200254	1130761719	/nfs/dbraw/zinc/76/17/19/1130761719.db2.gz	KWGVXJGNCNOYQQ-IZZDOVSWSA-N	-1	0	284.336	3.577	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000782200717	1130761841	/nfs/dbraw/zinc/76/18/41/1130761841.db2.gz	NRXXXPMHQITNOU-ARJAWSKDSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])/C=C/c1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1	ZINC001235670210	1130763613	/nfs/dbraw/zinc/76/36/13/1130763613.db2.gz	NUSUGCFVMXTWIS-RGXXWCCYSA-N	-1	0	293.322	3.576	20	30		CHEDRM
N#CCc1cc(F)cc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235691442	1130770135	/nfs/dbraw/zinc/77/01/35/1130770135.db2.gz	NJHRLMIPTKTEIR-ZZXKWVIFSA-N	-1	0	281.286	3.657	20	30		CHEDRM
CCC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(F)c1	ZINC000783511948	1130832485	/nfs/dbraw/zinc/83/24/85/1130832485.db2.gz	XCGCFWJPVSSICZ-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000783769694	1130853643	/nfs/dbraw/zinc/85/36/43/1130853643.db2.gz	IFFPRKQLWUICQR-DGCLKSJQSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CC(N=Nc1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814684214	1130895376	/nfs/dbraw/zinc/89/53/76/1130895376.db2.gz	HYGNUWQLUQYCCL-OCCSQVGLSA-N	-1	0	274.364	3.611	20	30		CHEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc2ccccc2n1	ZINC000814697473	1130896883	/nfs/dbraw/zinc/89/68/83/1130896883.db2.gz	PTVQEYBXZMUHQO-WCQYABFASA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1cccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)c1	ZINC000814687862	1130900199	/nfs/dbraw/zinc/90/01/99/1130900199.db2.gz	WQTNXLYWHVDQTA-HIFRSBDPSA-N	-1	0	288.391	3.920	20	30		CHEDRM
CC(Cc1ccc(F)cc1)N=Nc1cccc(C(=O)[O-])c1	ZINC000814687790	1130900962	/nfs/dbraw/zinc/90/09/62/1130900962.db2.gz	UJHBVPLUQYMWMD-UHFFFAOYSA-N	-1	0	286.306	3.554	20	30		CHEDRM
Cc1ccc(F)c(-c2nccc3ccc(C#N)cc32)c1[O-]	ZINC001236389997	1130925749	/nfs/dbraw/zinc/92/57/49/1130925749.db2.gz	CCWFKUFUPRBFON-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
Cc1ccc(F)c(-c2cc(C#N)c3ccccc3n2)c1[O-]	ZINC001236389438	1130925821	/nfs/dbraw/zinc/92/58/21/1130925821.db2.gz	FJYQXGASGXGLHG-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC1CCCCC1	ZINC000814887197	1130929825	/nfs/dbraw/zinc/92/98/25/1130929825.db2.gz	NHGGGOXXWUREOA-UHFFFAOYSA-N	-1	0	290.363	3.762	20	30		CHEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C)C(C)(C)C	ZINC000814937905	1130940073	/nfs/dbraw/zinc/94/00/73/1130940073.db2.gz	RPHKJENXPDWPQJ-GRYCIOLGSA-N	-1	0	282.428	3.524	20	30		CHEDRM
CC[C@H](C)CON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814939060	1130941210	/nfs/dbraw/zinc/94/12/10/1130941210.db2.gz	CLHMVZLKZOYEIC-TUAOUCFPSA-N	-1	0	269.385	3.562	20	30		CHEDRM
C[C@@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)[O-]	ZINC000814914025	1130942116	/nfs/dbraw/zinc/94/21/16/1130942116.db2.gz	ZHGHFYOIWINFFX-DOMZBBRYSA-N	-1	0	294.439	3.621	20	30		CHEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccccn1	ZINC000815907196	1131030147	/nfs/dbraw/zinc/03/01/47/1131030147.db2.gz	VIPPLRRJEAWKOS-JFBXQDQPSA-N	-1	0	272.323	3.692	20	30		CHEDRM
CC(C)(C#N)CCCCOC(=O)c1cc([S-])ccc1F	ZINC000798725366	1131048515	/nfs/dbraw/zinc/04/85/15/1131048515.db2.gz	XWPDEMNVSAPWNK-UHFFFAOYSA-N	-1	0	295.379	3.991	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(C3CCC3)c2)c1	ZINC000798985591	1131067086	/nfs/dbraw/zinc/06/70/86/1131067086.db2.gz	QCIOSWMAINRGQR-UHFFFAOYSA-N	-1	0	292.338	3.784	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C/c2ccccc2C#N)c([O-])c1	ZINC000799895963	1131113472	/nfs/dbraw/zinc/11/34/72/1131113472.db2.gz	SKDRXYNBCPJGAB-BQYQJAHWSA-N	-1	0	277.323	3.777	20	30		CHEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccccc1Cl	ZINC001117739907	1131195246	/nfs/dbraw/zinc/19/52/46/1131195246.db2.gz	TWSKOIXPHWQZCU-ZJUUUORDSA-N	-1	0	280.755	3.629	20	30		CHEDRM
CSC(C)(C)CCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844624037	1131587258	/nfs/dbraw/zinc/58/72/58/1131587258.db2.gz	SRRJEGGEYMTCBX-UHFFFAOYSA-N	-1	0	280.393	3.623	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1C(C)C	ZINC000846543877	1131712191	/nfs/dbraw/zinc/71/21/91/1131712191.db2.gz	CVPGHQHXHJRAQH-HIFRSBDPSA-N	-1	0	291.391	3.590	20	30		CHEDRM
COCC1(C/N=C\c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000846756164	1131723284	/nfs/dbraw/zinc/72/32/84/1131723284.db2.gz	GUGKLVXNZOPUIW-SOFYXZRVSA-N	-1	0	288.174	3.545	20	30		CHEDRM
CC(C)CC[C@@H]1CCC(=NNc2cnnc([O-])c2Cl)C1	ZINC000834937015	1131736810	/nfs/dbraw/zinc/73/68/10/1131736810.db2.gz	GVTWODFGQRULGR-SNVBAGLBSA-N	-1	0	296.802	3.840	20	30		CHEDRM
C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835011484	1131755575	/nfs/dbraw/zinc/75/55/75/1131755575.db2.gz	GGTJIBHOJBJMQC-SECBINFHSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C=CCOc1ccc(C(=O)Nc2ccccc2[S-])cc1	ZINC001148463476	1131857346	/nfs/dbraw/zinc/85/73/46/1131857346.db2.gz	HIKLIUSLXOFYBA-UHFFFAOYSA-N	-1	0	285.368	3.792	20	30		CHEDRM
C[C@@H](C#N)c1cccc(C(=O)Nc2ccccc2[S-])c1	ZINC001148617527	1131866736	/nfs/dbraw/zinc/86/67/36/1131866736.db2.gz	GURMBHAISUSCFX-NSHDSACASA-N	-1	0	282.368	3.855	20	30		CHEDRM
N#Cc1ncc(Nc2c(Cl)ccc([O-])c2Cl)cc1F	ZINC001203060201	1131891996	/nfs/dbraw/zinc/89/19/96/1131891996.db2.gz	KSQQIAOGKHFCLE-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
CCc1ccc(C=CC(=O)c2sccc2[O-])s1	ZINC000773149022	1131964517	/nfs/dbraw/zinc/96/45/17/1131964517.db2.gz	JYHQWHQWYVSODD-WAYWQWQTSA-N	-1	0	264.371	3.974	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@H](C)c1cc(C)cnc1F	ZINC001229737920	1132112701	/nfs/dbraw/zinc/11/27/01/1132112701.db2.gz	FMJPPHTZHROIGW-ZGXHQARYSA-N	-1	0	288.322	3.867	20	30		CHEDRM
C#C[C@H](CCCC)Oc1cccc2oc(=S)[n-]c21	ZINC001231065946	1132251706	/nfs/dbraw/zinc/25/17/06/1132251706.db2.gz	RGVPXAMHHFKJBA-SNVBAGLBSA-N	-1	0	261.346	3.687	20	30		CHEDRM
CC(NN=c1[n-]nc(-c2ccccc2)s1)=C1CC1(F)F	ZINC000841641683	1132381919	/nfs/dbraw/zinc/38/19/19/1132381919.db2.gz	ZNUYYJUFZYYFSJ-SNVBAGLBSA-N	-1	0	294.330	3.648	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc2ccccc2o1	ZINC000842694233	1132451908	/nfs/dbraw/zinc/45/19/08/1132451908.db2.gz	TUVIDOLAXZENII-WTNCMQEWSA-N	-1	0	280.327	3.750	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc(C2CC2)cs1	ZINC000842941843	1132480312	/nfs/dbraw/zinc/48/03/12/1132480312.db2.gz	DFQLMKQJJIVXTF-LJLILKBBSA-N	-1	0	286.400	3.943	20	30		CHEDRM
CCCCN(CC#N)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232627585	1132498908	/nfs/dbraw/zinc/49/89/08/1132498908.db2.gz	KKQOOTPTJLPXAY-UHFFFAOYSA-N	-1	0	287.190	3.825	20	30		CHEDRM
CCCN(CCC#N)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232632123	1132499309	/nfs/dbraw/zinc/49/93/09/1132499309.db2.gz	VLOONFMGRJHRIQ-UHFFFAOYSA-N	-1	0	287.190	3.825	20	30		CHEDRM
Cc1cc(C)c(Nc2scc([O-])c2C#N)c(C)c1	ZINC001173842955	1132545562	/nfs/dbraw/zinc/54/55/62/1132545562.db2.gz	IHTAJRAGVDTMPN-UHFFFAOYSA-N	-1	0	258.346	3.994	20	30		CHEDRM
Cc1cc2cc(C(=O)Nc3ccc(C#N)cc3O)ccc2o1	ZINC001150746655	1132558757	/nfs/dbraw/zinc/55/87/57/1132558757.db2.gz	ZPVAUJIKDDIBEV-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
C=CC[C@@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1	ZINC001233586310	1132642279	/nfs/dbraw/zinc/64/22/79/1132642279.db2.gz	DUALZIWLLVQEKY-GFCCVEGCSA-N	-1	0	276.723	3.532	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496782	1132862348	/nfs/dbraw/zinc/86/23/48/1132862348.db2.gz	SEZCMMZBQVXZEW-BQYQJAHWSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1F	ZINC001174496009	1132862764	/nfs/dbraw/zinc/86/27/64/1132862764.db2.gz	ACTLQPGGUQZMRR-BQYQJAHWSA-N	-1	0	282.274	3.539	20	30		CHEDRM
COc1cc(Nc2ccc([C@H](C)C#N)cc2)ccc1C(=O)[O-]	ZINC001174684598	1132946260	/nfs/dbraw/zinc/94/62/60/1132946260.db2.gz	AKVFNPHGVLYQFZ-LLVKDONJSA-N	-1	0	296.326	3.764	20	30		CHEDRM
N#CCc1cc(F)cc(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205115899	1133531920	/nfs/dbraw/zinc/53/19/20/1133531920.db2.gz	XBSZRXJODAFCEF-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
Cc1c(C#N)c(-c2ccsc2C(=O)[O-])nc2ccccc12	ZINC001205547269	1133586958	/nfs/dbraw/zinc/58/69/58/1133586958.db2.gz	GWZUMYJNGKQJKZ-UHFFFAOYSA-N	-1	0	294.335	3.842	20	30		CHEDRM
CCOc1c(F)c(F)ccc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001205817893	1133618194	/nfs/dbraw/zinc/61/81/94/1133618194.db2.gz	PUBRYWWKDCHSQC-UFWORHAWSA-N	-1	0	295.260	3.978	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1cc(F)c([O-])cc1F	ZINC001206755235	1133742441	/nfs/dbraw/zinc/74/24/41/1133742441.db2.gz	GSMXOYUUBKWTIT-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209890578	1134096384	/nfs/dbraw/zinc/09/63/84/1134096384.db2.gz	PVEMRAJMNYTPRU-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CO[C@@H](C)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001209946594	1134106831	/nfs/dbraw/zinc/10/68/31/1134106831.db2.gz	DSZYBDIWOAOMOW-VIFPVBQESA-N	-1	0	274.345	3.776	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1sccc1C#N	ZINC001210005251	1134120845	/nfs/dbraw/zinc/12/08/45/1134120845.db2.gz	CPQJAWOHMLKUPE-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1cc(F)c([O-])cc1F	ZINC001211359428	1134412206	/nfs/dbraw/zinc/41/22/06/1134412206.db2.gz	HBNHKNMMYGVILU-UHFFFAOYSA-N	-1	0	297.207	3.810	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1C	ZINC001214275667	1134526522	/nfs/dbraw/zinc/52/65/22/1134526522.db2.gz	XAYKNDBZVZOUBH-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
N#Cc1sccc1Nc1c(Cl)ccc([O-])c1F	ZINC001214556060	1134550893	/nfs/dbraw/zinc/55/08/93/1134550893.db2.gz	ILXVIJSWNNDTGW-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)cc1	ZINC001214748589	1134568467	/nfs/dbraw/zinc/56/84/67/1134568467.db2.gz	ZJJDEVGMGVDYHP-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
C#Cc1ccccc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214747994	1134568697	/nfs/dbraw/zinc/56/86/97/1134568697.db2.gz	HXSAZBNUAQHNPL-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
N#Cc1cc(Nc2cc(C(=O)[O-])c(Cl)cc2F)cs1	ZINC001214743195	1134568855	/nfs/dbraw/zinc/56/88/55/1134568855.db2.gz	LIKPLPHFOHXPMM-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
N#CCc1ccccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214804423	1134576133	/nfs/dbraw/zinc/57/61/33/1134576133.db2.gz	RVJTUSBKCZCDAK-UHFFFAOYSA-N	-1	0	276.698	3.994	20	30		CHEDRM
COc1cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)ccc1C#N	ZINC001216310983	1134845161	/nfs/dbraw/zinc/84/51/61/1134845161.db2.gz	AUNGYOLJMBKYOX-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216311106	1134845379	/nfs/dbraw/zinc/84/53/79/1134845379.db2.gz	DPRJQFXZYFBOCX-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1c(Nc2cc(F)c(C#N)cc2F)cccc1C(=O)[O-]	ZINC001216660544	1134940781	/nfs/dbraw/zinc/94/07/81/1134940781.db2.gz	LVHKDWGXCVGCLH-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1c(Nc2cc(F)c(F)cc2C#N)cccc1C(=O)[O-]	ZINC001216661415	1134941685	/nfs/dbraw/zinc/94/16/85/1134941685.db2.gz	HSBTZONNTQXZOV-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C)cc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1	ZINC001216969421	1134955766	/nfs/dbraw/zinc/95/57/66/1134955766.db2.gz	DUDPKVUTDJJGTQ-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
O=C([O-])C1(c2ccc(-c3ccccc3CS)cc2)CC1	ZINC001222694338	1135264605	/nfs/dbraw/zinc/26/46/05/1135264605.db2.gz	KWJCFEZGLKIULP-UHFFFAOYSA-N	-1	0	284.380	3.900	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ncccc1F	ZINC001223592921	1135363724	/nfs/dbraw/zinc/36/37/24/1135363724.db2.gz	GSKADHCANCZTRZ-DLXMGQPRSA-N	-1	0	294.713	3.788	20	30		CHEDRM
C=CC[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001225489980	1135575062	/nfs/dbraw/zinc/57/50/62/1135575062.db2.gz	FBDFLZJTVYZJCN-HNNXBMFYSA-N	-1	0	285.299	3.997	20	30		CHEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)c(F)cc2C#N)c(C)c1	ZINC001226007874	1135651898	/nfs/dbraw/zinc/65/18/98/1135651898.db2.gz	AXOSBWMQYRQHCY-LLVKDONJSA-N	-1	0	286.306	3.555	20	30		CHEDRM
N#C[C@@H](Oc1cccc([S-])c1)c1ccccc1F	ZINC001226014481	1135652527	/nfs/dbraw/zinc/65/25/27/1135652527.db2.gz	UUBHAKRLNNVUJC-CQSZACIVSA-N	-1	0	259.305	3.758	20	30		CHEDRM
C[C@H](Oc1cccc(/C=N/[O-])c1)c1c(F)cccc1F	ZINC001226109920	1135663568	/nfs/dbraw/zinc/66/35/68/1135663568.db2.gz	LKCALBCRGQTLMJ-NTOSSWPYSA-N	-1	0	277.270	3.913	20	30		CHEDRM
C[C@H](Oc1nc(C(C)(C)C)ccc1C#N)C1=CC=C[CH]1	ZINC001226549611	1135711590	/nfs/dbraw/zinc/71/15/90/1135711590.db2.gz	IIOCVJYWYVBMRY-LBPRGKRZSA-N	-1	0	267.352	3.719	20	30		CHEDRM
Cc1ccc2nc(=O)[n-]c(O[C@@H](C)CC(C)(C)S)c2c1	ZINC001227345965	1135824081	/nfs/dbraw/zinc/82/40/81/1135824081.db2.gz	GYEXVDSAKHTDIB-JTQLQIEISA-N	-1	0	292.404	3.510	20	30		CHEDRM
N#CC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CCCCC1	ZINC000274504948	263024975	/nfs/dbraw/zinc/02/49/75/263024975.db2.gz	AMGOGXABCCVERK-UHFFFAOYSA-N	-1	0	296.729	3.597	20	30		CHEDRM
CC(C)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000189872186	264335499	/nfs/dbraw/zinc/33/54/99/264335499.db2.gz	ZDUPXVBUXIRTHR-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
N#Cc1cc(-c2ccccc2CC2(C(=O)[O-])CC2)cs1	ZINC000583094223	329315129	/nfs/dbraw/zinc/31/51/29/329315129.db2.gz	KIAXKDGZRIJIIH-UHFFFAOYSA-N	-1	0	283.352	3.694	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000262889701	330032506	/nfs/dbraw/zinc/03/25/06/330032506.db2.gz	AFVQNWIAIBQLDI-LBPRGKRZSA-N	-1	0	275.348	3.542	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)o1	ZINC000429347792	330544204	/nfs/dbraw/zinc/54/42/04/330544204.db2.gz	UTEDPACACRLIHJ-NSHDSACASA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)co1	ZINC000430604457	330569624	/nfs/dbraw/zinc/56/96/24/330569624.db2.gz	NGLNQPTWHFPFQH-NSHDSACASA-N	-1	0	288.372	3.832	20	30		CHEDRM
C=CCC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCCCC1	ZINC000456367408	331191339	/nfs/dbraw/zinc/19/13/39/331191339.db2.gz	NXQCCYNALWWOQU-UHFFFAOYSA-N	-1	0	295.329	3.679	20	30		CHEDRM
Cc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1Cl	ZINC000502761553	332672407	/nfs/dbraw/zinc/67/24/07/332672407.db2.gz	UPGGPJQMLQSPHI-UTCJRWHESA-N	-1	0	298.729	3.784	20	30		CHEDRM
C=CCOc1ccccc1CNc1ccc(C)c(C(=O)[O-])c1	ZINC000521058288	333110778	/nfs/dbraw/zinc/11/07/78/333110778.db2.gz	GHPTVZIIPKBOOB-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@H]1CCCOCC1	ZINC000330157887	534332643	/nfs/dbraw/zinc/33/26/43/534332643.db2.gz	ZNHXTJANAOHXLA-QMMMGPOBSA-N	-1	0	282.390	3.763	20	30		CHEDRM
CCCCCCCC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000059082213	599838303	/nfs/dbraw/zinc/83/83/03/599838303.db2.gz	KTCKNRLSAIXCFV-UHFFFAOYSA-N	-1	0	277.364	3.708	20	30		CHEDRM
C[C@@H](Sc1ccc(C#N)cc1F)c1ccc(C(=O)[O-])o1	ZINC000736712875	600815695	/nfs/dbraw/zinc/81/56/95/600815695.db2.gz	QIISOLYHDLOYCE-MRVPVSSYSA-N	-1	0	291.303	3.842	20	30		CHEDRM
C=CCCCC(=O)Oc1c(C(=O)[O-])ccc2ccccc21	ZINC000825671283	601126464	/nfs/dbraw/zinc/12/64/64/601126464.db2.gz	KFZLCXCPHLHSSE-UHFFFAOYSA-N	-1	0	284.311	3.800	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000827112429	601791818	/nfs/dbraw/zinc/79/18/18/601791818.db2.gz	IRIBBSUEGPCIDR-BAQGIRSFSA-N	-1	0	283.327	3.732	20	30		CHEDRM
N#Cc1ccc(SCc2ccsc2C(=O)[O-])cc1	ZINC000833074024	601810093	/nfs/dbraw/zinc/81/00/93/601810093.db2.gz	MLASPLXYDOECRB-UHFFFAOYSA-N	-1	0	275.354	3.610	20	30		CHEDRM
CC1(C)CCC/C(=C/c2ccc(C(=O)[O-])cc2)C1=O	ZINC000757533652	601844857	/nfs/dbraw/zinc/84/48/57/601844857.db2.gz	GJGKHZCGVDKPON-RAXLEYEMSA-N	-1	0	258.317	3.547	20	30		CHEDRM
C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1	ZINC000825664466	602186874	/nfs/dbraw/zinc/18/68/74/602186874.db2.gz	AJRZDEPKVJXGBN-LBPRGKRZSA-N	-1	0	288.343	3.757	20	30		CHEDRM
O=C([O-])Nc1ccc(N=Cc2cc(Cl)ccc2O)cc1	ZINC000740703313	602431066	/nfs/dbraw/zinc/43/10/66/602431066.db2.gz	LCRPZFNANKFHQB-UHFFFAOYSA-N	-1	0	290.706	3.886	20	30		CHEDRM
C=C(C)COc1cccc(NCc2ccoc2C(=O)[O-])c1	ZINC000833371005	604776701	/nfs/dbraw/zinc/77/67/01/604776701.db2.gz	UMFMZFMWMOEENW-UHFFFAOYSA-N	-1	0	287.315	3.545	20	30		CHEDRM
CC(C)(C#N)CCCOc1ccc(Cl)cc1C(=O)[O-]	ZINC000087596458	604810258	/nfs/dbraw/zinc/81/02/58/604810258.db2.gz	QUCSERAXXXJJHI-UHFFFAOYSA-N	-1	0	281.739	3.747	20	30		CHEDRM
C#CCCCCC(=O)Oc1cc2ccccc2cc1C(=O)[O-]	ZINC000833362631	605020654	/nfs/dbraw/zinc/02/06/54/605020654.db2.gz	BJLGZWNYAJYZKV-UHFFFAOYSA-N	-1	0	296.322	3.637	20	30		CHEDRM
C[C@@H]1CCC[C@@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000768353923	605098609	/nfs/dbraw/zinc/09/86/09/605098609.db2.gz	CEVBGWJMHCYNBF-VXGBXAGGSA-N	-1	0	260.337	3.609	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cscc1Cl	ZINC000771885304	605099254	/nfs/dbraw/zinc/09/92/54/605099254.db2.gz	RGJFAPDQPFYUKY-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)sc1C	ZINC000833387218	605594485	/nfs/dbraw/zinc/59/44/85/605594485.db2.gz	VHHAARKGCBEKGV-UHFFFAOYSA-N	-1	0	288.372	3.899	20	30		CHEDRM
C=CC[C@@H](Sc1cc(Cl)ccc1F)C(=O)[O-]	ZINC001588759624	984112952	/nfs/dbraw/zinc/11/29/52/984112952.db2.gz	XWZJGIWYHULQCK-SECBINFHSA-N	-1	0	260.717	3.601	20	30		CHEDRM
CCCCCCCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848454425	955745613	/nfs/dbraw/zinc/74/56/13/955745613.db2.gz	NCTNAEVUYCFGIM-MELADBBJSA-N	-1	0	297.439	3.599	20	30		CHEDRM
CCCCCCCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848454424	955745663	/nfs/dbraw/zinc/74/56/63/955745663.db2.gz	NCTNAEVUYCFGIM-HZSPNIEDSA-N	-1	0	297.439	3.599	20	30		CHEDRM
N#Cc1ccccc1SCc1cccc(C(=O)[O-])c1	ZINC001594632268	956351879	/nfs/dbraw/zinc/35/18/79/956351879.db2.gz	UFIDUCDGLDKQEA-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
N#Cc1ccc(CSc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000019388587	957107030	/nfs/dbraw/zinc/10/70/30/957107030.db2.gz	PIVAXDONTKHLCM-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
C#Cc1cccc(N(C)Cc2cccc(C(=O)[O-])c2Cl)c1	ZINC001573313407	962730065	/nfs/dbraw/zinc/73/00/65/962730065.db2.gz	HDWDAWNMPHBTPG-UHFFFAOYSA-N	-1	0	299.757	3.656	20	30		CHEDRM
N#Cc1ccc(CSc2ccc(C(=O)[O-])cc2)cc1F	ZINC000404200026	973709141	/nfs/dbraw/zinc/70/91/41/973709141.db2.gz	PAJPQVSVQYMTPJ-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
C=CCN(Cc1cccs1)[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC000567742558	974641276	/nfs/dbraw/zinc/64/12/76/974641276.db2.gz	KSZXWZJHERMSGW-NSHDSACASA-N	-1	0	291.372	3.789	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCCCCC1	ZINC000756901712	978701549	/nfs/dbraw/zinc/70/15/49/978701549.db2.gz	XTTVSOHMEJTHSR-UHFFFAOYSA-N	-1	0	276.336	3.516	20	30		CHEDRM
CCCC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367889	978720541	/nfs/dbraw/zinc/72/05/41/978720541.db2.gz	IPTLYIVCWGLUOF-LLVKDONJSA-N	-1	0	275.352	3.538	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1	ZINC000765826551	978724041	/nfs/dbraw/zinc/72/40/41/978724041.db2.gz	RGUDJNDWJZTUSZ-YFHOEESVSA-N	-1	0	266.296	3.589	20	30		CHEDRM
C[C@H]1c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])cc1	ZINC000809155909	978853778	/nfs/dbraw/zinc/85/37/78/978853778.db2.gz	HSHBEFXRUKZUQH-YAFRSCOQSA-N	-1	0	278.307	3.768	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc3ncccc23)CC[C@H]1CC(=O)[O-]	ZINC000814804545	978886663	/nfs/dbraw/zinc/88/66/63/978886663.db2.gz	UMEWMGMAPGYNTL-NEPJUHHUSA-N	-1	0	297.358	3.524	20	30		CHEDRM
C[C@@H]1C(N=Nc2c(F)cccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814905565	978897948	/nfs/dbraw/zinc/89/79/48/978897948.db2.gz	ZDWNYDUMAQLPQP-DTWKUNHWSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414880	979468428	/nfs/dbraw/zinc/46/84/28/979468428.db2.gz	SOQKUIZDNKBNHK-GXTWGEPZSA-N	-1	0	274.364	3.538	20	30		CHEDRM
N#Cc1ncc(Cl)cc1Nc1cccc([O-])c1Cl	ZINC001210855728	1118410330	/nfs/dbraw/zinc/41/03/30/1118410330.db2.gz	TYKAEONTDMFRHR-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC000908683800	981339186	/nfs/dbraw/zinc/33/91/86/981339186.db2.gz	PGRPPOKCFASDPP-UHFFFAOYSA-N	-1	0	293.750	3.723	20	30		CHEDRM
CCCC[C@H](S[C@H](C#N)Cc1ccc(C)cc1)C(=O)[O-]	ZINC001595651551	982023043	/nfs/dbraw/zinc/02/30/43/982023043.db2.gz	HUOVHWQAPNVHIB-GJZGRUSLSA-N	-1	0	291.416	3.806	20	30		CHEDRM
CCCCCCCCC(=O)NCc1ccc(C(=O)[O-])s1	ZINC001595704754	982278549	/nfs/dbraw/zinc/27/85/49/982278549.db2.gz	GNFSNXLPPUIBFY-UHFFFAOYSA-N	-1	0	297.420	3.813	20	30		CHEDRM
CCCCCCCCCCC(=O)N1CC2CC1(C(=O)[O-])C2	ZINC001595704842	982281161	/nfs/dbraw/zinc/28/11/61/982281161.db2.gz	IRTPZTQUHMVKSV-UHFFFAOYSA-N	-1	0	295.423	3.593	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001595705197	982282567	/nfs/dbraw/zinc/28/25/67/982282567.db2.gz	RFOQWNROVAMRRE-UHFFFAOYSA-N	-1	0	295.354	3.752	20	30		CHEDRM
CCCCCCCCCN(C)C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001595705315	982284470	/nfs/dbraw/zinc/28/44/70/982284470.db2.gz	VSLREOQTMJYVPL-UHFFFAOYSA-N	-1	0	294.395	3.536	20	30		CHEDRM
CC[C@H](C)[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001594928312	982535349	/nfs/dbraw/zinc/53/53/49/982535349.db2.gz	GIXAXCLRIHXGPV-QPUJVOFHSA-N	-1	0	283.780	3.803	20	30		CHEDRM
Cc1c(Cl)cccc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000915051172	982662799	/nfs/dbraw/zinc/66/27/99/982662799.db2.gz	NNHAMRXAPPTFOS-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1	ZINC001588605342	983692347	/nfs/dbraw/zinc/69/23/47/983692347.db2.gz	HSOJSOCJWKACKO-VOTSOKGWSA-N	-1	0	297.310	3.663	20	30		CHEDRM
C=C[C@@H](SCc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC001588714829	983953530	/nfs/dbraw/zinc/95/35/30/983953530.db2.gz	OPGAAPFGOKLREK-CYBMUJFWSA-N	-1	0	250.363	3.682	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC001588738009	984032080	/nfs/dbraw/zinc/03/20/80/984032080.db2.gz	ZUHQCQXEIXFPEA-UHFFFAOYSA-N	-1	0	293.388	3.716	20	30		CHEDRM
C=CC[C@H](SCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC001588759693	984113516	/nfs/dbraw/zinc/11/35/16/984113516.db2.gz	ZBEGUXFZYOHHDC-ZDUSSCGKSA-N	-1	0	250.363	3.566	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588777692	984157453	/nfs/dbraw/zinc/15/74/53/984157453.db2.gz	GAYVNJWXJOUISW-UHFFFAOYSA-N	-1	0	290.363	3.560	20	30		CHEDRM
C=CCC[C@@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccccc1	ZINC001588779045	984163999	/nfs/dbraw/zinc/16/39/99/984163999.db2.gz	RGYMBZMSDWGJAN-CQSZACIVSA-N	-1	0	297.358	3.603	20	30		CHEDRM
C=CCC[C@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccccc1	ZINC001588779044	984164121	/nfs/dbraw/zinc/16/41/21/984164121.db2.gz	RGYMBZMSDWGJAN-AWEZNQCLSA-N	-1	0	297.358	3.603	20	30		CHEDRM
C=CCCCC(=O)Oc1cccc2c(CC(=O)[O-])cccc12	ZINC001588782402	984171613	/nfs/dbraw/zinc/17/16/13/984171613.db2.gz	DONONQQYRGTSLU-UHFFFAOYSA-N	-1	0	298.338	3.729	20	30		CHEDRM
C=CCCCCCNc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588799694	984241161	/nfs/dbraw/zinc/24/11/61/984241161.db2.gz	AYXOHOBLLKSUSH-UHFFFAOYSA-N	-1	0	269.291	3.821	20	30		CHEDRM
C=CCCCOc1ccn(Cc2ccccc2)c1C(=O)[O-]	ZINC001588803849	984253016	/nfs/dbraw/zinc/25/30/16/984253016.db2.gz	NUQYEYFFRDJOFU-UHFFFAOYSA-N	-1	0	285.343	3.580	20	30		CHEDRM
C=CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1	ZINC001588820830	984287042	/nfs/dbraw/zinc/28/70/42/984287042.db2.gz	VGJPYYWHFQFZIK-UHFFFAOYSA-N	-1	0	295.338	3.526	20	30		CHEDRM
CC#CCSc1cc2ccccc2cc1C(=O)[O-]	ZINC001588932386	984608300	/nfs/dbraw/zinc/60/83/00/984608300.db2.gz	TWACQAWRZDTODJ-UHFFFAOYSA-N	-1	0	256.326	3.653	20	30		CHEDRM
CC(C)(C)[C@H](Sc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC001589723411	987900649	/nfs/dbraw/zinc/90/06/49/987900649.db2.gz	XHNGRVPFEYYGEU-LLVKDONJSA-N	-1	0	283.780	3.803	20	30		CHEDRM
CC(C)(C)ON=C1CCC[C@@H](CCCC(=O)[O-])C1	ZINC001590399153	989934188	/nfs/dbraw/zinc/93/41/88/989934188.db2.gz	XSNJNCFCUAVIAV-NSHDSACASA-N	-1	0	255.358	3.603	20	30		CHEDRM
CC(C)(CCC#N)CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001590656349	990353913	/nfs/dbraw/zinc/35/39/13/990353913.db2.gz	PUUXCRUEJSUUMM-LSDHHAIUSA-N	-1	0	286.375	3.617	20	30		CHEDRM
C[C@H](SCc1ccc(C(=O)[O-])cn1)c1cccc(C#N)c1	ZINC001593661426	996037297	/nfs/dbraw/zinc/03/72/97/996037297.db2.gz	AFCALGYYMHFBQB-NSHDSACASA-N	-1	0	298.367	3.646	20	30		CHEDRM
Cc1csc(Nc2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001174982030	1121139821	/nfs/dbraw/zinc/13/98/21/1121139821.db2.gz	QLNVMQIWOHJEQB-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)nc(Cl)c2)c([O-])cc1F	ZINC001212099674	1125731693	/nfs/dbraw/zinc/73/16/93/1125731693.db2.gz	NENQUZMXOCDXFL-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
O=C(/C=C/c1cccc(F)c1)c1cc(F)ccc1[O-]	ZINC000757468650	1125761221	/nfs/dbraw/zinc/76/12/21/1125761221.db2.gz	UORYXVWCBQTGEC-GQCTYLIASA-N	-1	0	260.239	3.567	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000184840784	1126897446	/nfs/dbraw/zinc/89/74/46/1126897446.db2.gz	COEQDMYPPNLJFD-VIFPVBQESA-N	-1	0	253.729	3.586	20	30		CHEDRM
CC(=NOC1CCCCC1)c1cc(F)cc(F)c1[O-]	ZINC000777460643	1126940687	/nfs/dbraw/zinc/94/06/87/1126940687.db2.gz	ZSPZAVSLSBAZCS-UHFFFAOYSA-N	-1	0	269.291	3.744	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000043692988	1127011233	/nfs/dbraw/zinc/01/12/33/1127011233.db2.gz	RTFRRVJKCTXJOR-UHFFFAOYSA-N	-1	0	280.324	3.599	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911681639	1127084840	/nfs/dbraw/zinc/08/48/40/1127084840.db2.gz	NRNMGGIWUBJMDG-UHFFFAOYSA-N	-1	0	291.322	3.539	20	30		CHEDRM
O=C(/C=C\c1c(F)cccc1Cl)c1ccc(O)cc1[O-]	ZINC000210008774	1127109548	/nfs/dbraw/zinc/10/95/48/1127109548.db2.gz	XXEMVVKZXPIQIF-SREVYHEPSA-N	-1	0	292.693	3.786	20	30		CHEDRM
O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccccc1[O-]	ZINC000156599676	1127160013	/nfs/dbraw/zinc/16/00/13/1127160013.db2.gz	JZROLQJDPNXUGU-FNORWQNLSA-N	-1	0	274.703	3.647	20	30		CHEDRM
COc1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1	ZINC000224446771	1127263823	/nfs/dbraw/zinc/26/38/23/1127263823.db2.gz	GCASJKFLAOPIGU-UXBLZVDNSA-N	-1	0	268.312	3.605	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000046929740	1127467581	/nfs/dbraw/zinc/46/75/81/1127467581.db2.gz	CCTRISFLRWTXHI-UHFFFAOYSA-N	-1	0	283.393	3.529	20	30		CHEDRM
CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)CCCC	ZINC000076761976	1127549609	/nfs/dbraw/zinc/54/96/09/1127549609.db2.gz	VHPBGHOLXNKPGF-LBPRGKRZSA-N	-1	0	277.430	3.679	20	30		CHEDRM
Cc1[n-]n([C@@H](C)c2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000601935727	1127553584	/nfs/dbraw/zinc/55/35/84/1127553584.db2.gz	MIAKMKCPISACGN-FZMZJTMJSA-N	-1	0	289.766	3.539	20	30		CHEDRM
CCC(C)(C)c1n[n-]c(=N[C@@H](CCC#N)c2ccccc2)o1	ZINC000603318685	1127641568	/nfs/dbraw/zinc/64/15/68/1127641568.db2.gz	XAEMILJGHKMNCG-AWEZNQCLSA-N	-1	0	298.390	3.636	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCC(F)(F)C2)c1	ZINC000800721397	1128032736	/nfs/dbraw/zinc/03/27/36/1128032736.db2.gz	MKQMKQYKZOIJBD-IYPWXLATSA-N	-1	0	298.289	3.545	20	30		CHEDRM
CCCCCCCCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000762625708	1128311808	/nfs/dbraw/zinc/31/18/08/1128311808.db2.gz	MRUCFOMOISCMQQ-UHFFFAOYSA-N	-1	0	285.334	3.761	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]3CCCC[C@@H]3C2)nc1	ZINC000763367841	1128416371	/nfs/dbraw/zinc/41/63/71/1128416371.db2.gz	GGCDUFRVALCBSX-NWDGAFQWSA-N	-1	0	287.363	3.538	20	30		CHEDRM
Cc1cc(C)c(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000916339225	1128417047	/nfs/dbraw/zinc/41/70/47/1128417047.db2.gz	HMTCUCCSCDNACU-UHFFFAOYSA-N	-1	0	299.330	3.672	20	30		CHEDRM
CCCNN=C(CC)c1cc(Cl)cc(Cl)c1[O-]	ZINC000915965908	1128401338	/nfs/dbraw/zinc/40/13/38/1128401338.db2.gz	RONGRAOXNFZIEG-UHFFFAOYSA-N	-1	0	275.179	3.813	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(F)c(F)c1)O2	ZINC000915988939	1128401760	/nfs/dbraw/zinc/40/17/60/1128401760.db2.gz	ORGGGYHQPKCWBI-NSIKDUERSA-N	-1	0	288.249	3.595	20	30		CHEDRM
Cc1cccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)c1	ZINC000916240306	1128411747	/nfs/dbraw/zinc/41/17/47/1128411747.db2.gz	CXNYNCXUNDRUJB-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)c(C)n1C1CC1	ZINC000916255387	1128412114	/nfs/dbraw/zinc/41/21/14/1128412114.db2.gz	XLIWCPWNYLNPOP-UHFFFAOYSA-N	-1	0	297.358	3.584	20	30		CHEDRM
N#CCc1ccc(F)c(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001236001692	1128452954	/nfs/dbraw/zinc/45/29/54/1128452954.db2.gz	DRWZYRLXSPFZIA-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
CC(C)(C#N)c1ccc(NC(=O)c2c([O-])cccc2F)cc1	ZINC000126817175	1128468502	/nfs/dbraw/zinc/46/85/02/1128468502.db2.gz	KKUKGKRAPOTBTO-UHFFFAOYSA-N	-1	0	298.317	3.585	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCC2CCCC2)c1	ZINC000918154060	1128538146	/nfs/dbraw/zinc/53/81/46/1128538146.db2.gz	BFBHBNLRSWYXHE-LFIBNONCSA-N	-1	0	276.336	3.690	20	30		CHEDRM
O=C(/C=C/c1c(Cl)nc2ccccn12)c1ccccc1[O-]	ZINC000156601690	1128637606	/nfs/dbraw/zinc/63/76/06/1128637606.db2.gz	OTJXYFFFWLDXIS-CMDGGOBGSA-N	-1	0	298.729	3.589	20	30		CHEDRM
COc1cc(NC2=CC[C@H](C#N)CC2)ccc1[S-]	ZINC001212867450	1128738388	/nfs/dbraw/zinc/73/83/88/1128738388.db2.gz	XIAFNGPTZGFFKD-JTQLQIEISA-N	-1	0	260.362	3.603	20	30		CHEDRM
N#Cc1cc(Nc2cccnc2C(F)(F)F)c([O-])cc1F	ZINC001210235662	1118216490	/nfs/dbraw/zinc/21/64/90/1118216490.db2.gz	SGBFNRVDVPENSM-UHFFFAOYSA-N	-1	0	297.211	3.560	20	30		CHEDRM
COc1cc(Nc2cc(C#N)ccc2C)ccc1[S-]	ZINC001210505427	1118302990	/nfs/dbraw/zinc/30/29/90/1118302990.db2.gz	MTZBUDSSIRPBHW-UHFFFAOYSA-N	-1	0	270.357	3.908	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c(C)c1	ZINC000748149480	1118383739	/nfs/dbraw/zinc/38/37/39/1118383739.db2.gz	ZKUNGOGYTLVRIN-YVMONPNESA-N	-1	0	297.310	3.813	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccccc2C(=O)[O-])c1	ZINC001210969629	1118433206	/nfs/dbraw/zinc/43/32/06/1118433206.db2.gz	UOGWZTAUSFCZTO-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1ccccc1C(=O)[O-]	ZINC001210969091	1118433462	/nfs/dbraw/zinc/43/34/62/1118433462.db2.gz	PLMWGCABLXYXRX-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
Cc1cc(-c2cc(F)c([O-])cc2F)cc(C)c1C#N	ZINC001211339441	1118505582	/nfs/dbraw/zinc/50/55/82/1118505582.db2.gz	OUFUTTHPPAQQTE-UHFFFAOYSA-N	-1	0	259.255	3.826	20	30		CHEDRM
CCC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000340908049	1118552028	/nfs/dbraw/zinc/55/20/28/1118552028.db2.gz	GZVMISOVTCFSAN-ZDUSSCGKSA-N	-1	0	298.367	3.534	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(C(=O)[O-])cc2C)c1	ZINC000308096026	1118561998	/nfs/dbraw/zinc/56/19/98/1118561998.db2.gz	VBDDHRLAUTYSJK-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
N#Cc1csc(C(=O)Nc2c(F)cc(Cl)cc2F)c1	ZINC000180357768	1128787903	/nfs/dbraw/zinc/78/79/03/1128787903.db2.gz	BUQBIGGZSSNOTC-UHFFFAOYSA-N	-1	0	298.701	3.804	20	30		CHEDRM
Cc1ccncc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430609722	1118615680	/nfs/dbraw/zinc/61/56/80/1118615680.db2.gz	INRDLBVJBGNERN-NSHDSACASA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)s1	ZINC000255364116	1118673775	/nfs/dbraw/zinc/67/37/75/1118673775.db2.gz	VWGFSQAMXIFHLI-ARJAWSKDSA-N	-1	0	280.295	3.936	20	30		CHEDRM
Oc1ccc(Cl)cc1/C=N\CCc1ccc(Cl)nc1	ZINC000255440244	1118942736	/nfs/dbraw/zinc/94/27/36/1118942736.db2.gz	IYTLWNYQJSOSDA-MFOYZWKCSA-N	-1	0	295.169	3.756	20	30		CHEDRM
C=CCOc1ccccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728441360	1118951584	/nfs/dbraw/zinc/95/15/84/1118951584.db2.gz	IDHWYQKZWKSMNU-CLFYSBASSA-N	-1	0	298.313	3.992	20	30		CHEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000617041805	1128812749	/nfs/dbraw/zinc/81/27/49/1128812749.db2.gz	JCNHDAQQHPFPRE-QMTHXVAHSA-N	-1	0	295.329	3.535	20	30		CHEDRM
Cc1ccc(C=CC(=O)c2sccc2[O-])cc1[N+](=O)[O-]	ZINC000588495692	1118990796	/nfs/dbraw/zinc/99/07/96/1118990796.db2.gz	WQADIEABQGSEBX-PLNGDYQASA-N	-1	0	289.312	3.566	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000342387972	1118999079	/nfs/dbraw/zinc/99/90/79/1118999079.db2.gz	KXTKNWFIKXKIDE-OAHLLOKOSA-N	-1	0	290.322	3.935	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000255480372	1119013479	/nfs/dbraw/zinc/01/34/79/1119013479.db2.gz	HOIZJSZGSYHWQA-FJOGCWAESA-N	-1	0	286.356	3.749	20	30		CHEDRM
CCn1cc(/C=C\C(=O)c2ccc3ccccc3c2[O-])cn1	ZINC000255500395	1119061027	/nfs/dbraw/zinc/06/10/27/1119061027.db2.gz	NJGBFMFRIIOXSW-YFHOEESVSA-N	-1	0	292.338	3.658	20	30		CHEDRM
C#Cc1cc(Nc2cc(C)cc(C(=O)[O-])c2)ccc1F	ZINC001211545057	1119079567	/nfs/dbraw/zinc/07/95/67/1119079567.db2.gz	QCEXVOHFIKHHKH-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1cc(Nc2ccccc2CC#N)cc(C(=O)[O-])c1	ZINC001211547423	1119102819	/nfs/dbraw/zinc/10/28/19/1119102819.db2.gz	PCAPDQKLEOXOSI-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1C1CC1)c1nc2ccccc2o1	ZINC000342649002	1119112083	/nfs/dbraw/zinc/11/20/83/1119112083.db2.gz	FSJATEBXMVUEIP-GFCCVEGCSA-N	-1	0	292.294	3.788	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)ccc2Cl)c([O-])cc1F	ZINC001216480092	1119125387	/nfs/dbraw/zinc/12/53/87/1119125387.db2.gz	WGLVOVQVYGFNCX-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
Cc1sc(Nc2ccc(C(=O)[O-])cc2C)c(C#N)c1C	ZINC001211616372	1119512986	/nfs/dbraw/zinc/51/29/86/1119512986.db2.gz	JKLQPFAHKZWNRU-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
N#Cc1ccccc1C(=O)/C=C\c1ccc([O-])c(Cl)c1	ZINC000588618404	1119625884	/nfs/dbraw/zinc/62/58/84/1119625884.db2.gz	QVXSLNBLEUBYGA-ALCCZGGFSA-N	-1	0	283.714	3.813	20	30		CHEDRM
CC(C)n1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cn1	ZINC000176955714	1119671700	/nfs/dbraw/zinc/67/17/00/1119671700.db2.gz	OZGLHNMKFOFPKQ-HWKANZROSA-N	-1	0	290.750	3.719	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1C	ZINC000765825584	1120111595	/nfs/dbraw/zinc/11/15/95/1120111595.db2.gz	QGRCVLJOBQIEET-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1	ZINC000765991584	1120545596	/nfs/dbraw/zinc/54/55/96/1120545596.db2.gz	CBRQAMXEVQFWKW-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ccc1F	ZINC001211658649	1120636889	/nfs/dbraw/zinc/63/68/89/1120636889.db2.gz	VTUBPCKZRQPZBU-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])c(C)c2)cc1F	ZINC001211663397	1120697102	/nfs/dbraw/zinc/69/71/02/1120697102.db2.gz	IHMKAMPRTCOMEP-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CCCCC(CC)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756900961	1120970903	/nfs/dbraw/zinc/97/09/03/1120970903.db2.gz	FOEWUWVZSNXBHE-UHFFFAOYSA-N	-1	0	278.352	3.762	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1ccc(C(=O)[O-])s1	ZINC001174809164	1121056262	/nfs/dbraw/zinc/05/62/62/1121056262.db2.gz	CFJBCPSFNPHEJI-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])s2)cc1	ZINC001174809919	1121056889	/nfs/dbraw/zinc/05/68/89/1121056889.db2.gz	VJJODLHZHUPZFS-UHFFFAOYSA-N	-1	0	286.356	3.991	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223351	1121230511	/nfs/dbraw/zinc/23/05/11/1121230511.db2.gz	OUZWTGSBFYOYBD-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cccnc1	ZINC001223594676	1121265859	/nfs/dbraw/zinc/26/58/59/1121265859.db2.gz	AQVGLHYIVRMMPZ-PXAAABLISA-N	-1	0	276.723	3.649	20	30		CHEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175315478	1121280715	/nfs/dbraw/zinc/28/07/15/1121280715.db2.gz	HRASECZEIYLGJZ-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C#N	ZINC001175319939	1121281706	/nfs/dbraw/zinc/28/17/06/1121281706.db2.gz	JNMHDXUUJZJQAD-UHFFFAOYSA-N	-1	0	297.701	3.525	20	30		CHEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175319932	1121281859	/nfs/dbraw/zinc/28/18/59/1121281859.db2.gz	IZXLKEZWJWOCIU-UHFFFAOYSA-N	-1	0	286.718	3.848	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1cccc(C(=O)[O-])c1	ZINC001175327141	1121284459	/nfs/dbraw/zinc/28/44/59/1121284459.db2.gz	CEYIFSINOSBRCH-UHFFFAOYSA-N	-1	0	278.267	3.746	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2cc(O)ccc2c1	ZINC001176388473	1121609627	/nfs/dbraw/zinc/60/96/27/1121609627.db2.gz	XJHMUHQZKOTVME-UHFFFAOYSA-N	-1	0	282.324	3.928	20	30		CHEDRM
Cc1sc(Nc2csc(C(=O)[O-])c2)c(C#N)c1C	ZINC001176436789	1121621174	/nfs/dbraw/zinc/62/11/74/1121621174.db2.gz	NWKPPTAQLKYNOP-UHFFFAOYSA-N	-1	0	278.358	3.740	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176586453	1121647586	/nfs/dbraw/zinc/64/75/86/1121647586.db2.gz	HAUNKQVDDOSFJY-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
N#Cc1cc(Nc2cc(O)cc(Cl)c2)c([O-])cc1F	ZINC001176624743	1121664425	/nfs/dbraw/zinc/66/44/25/1121664425.db2.gz	OERWAAQCSQDMAZ-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176670592	1121672140	/nfs/dbraw/zinc/67/21/40/1121672140.db2.gz	HJWXZABSGQKRQC-UHFFFAOYSA-N	-1	0	296.223	3.872	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc3ncccc23)c1	ZINC000254602136	1121683958	/nfs/dbraw/zinc/68/39/58/1121683958.db2.gz	ZTJJRSBYMLJRGS-UHFFFAOYSA-N	-1	0	293.282	3.599	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000730148634	1121794490	/nfs/dbraw/zinc/79/44/90/1121794490.db2.gz	IOGPEFQNWUQIFN-SNAWJCMRSA-N	-1	0	278.354	3.712	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc(Cl)cc2)cs1	ZINC000730148987	1121794974	/nfs/dbraw/zinc/79/49/74/1121794974.db2.gz	RHZMGINKIXKNBF-ZZXKWVIFSA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1cc(C)c(NC(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC001181265579	1122045198	/nfs/dbraw/zinc/04/51/98/1122045198.db2.gz	LFJYKBXELYNUDP-UHFFFAOYSA-N	-1	0	295.342	3.833	20	30		CHEDRM
CCc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)s1	ZINC000774118377	1122129944	/nfs/dbraw/zinc/12/99/44/1122129944.db2.gz	HRXGCQDAOOGWPS-VURMDHGXSA-N	-1	0	286.352	3.905	20	30		CHEDRM
Cc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1Cl	ZINC000502761554	1122145875	/nfs/dbraw/zinc/14/58/75/1122145875.db2.gz	UPGGPJQMLQSPHI-ZZXKWVIFSA-N	-1	0	298.729	3.784	20	30		CHEDRM
C=CCN(C(=O)Cc1ccc([S-])cc1)C1CCCCC1	ZINC001183190079	1122210229	/nfs/dbraw/zinc/21/02/29/1122210229.db2.gz	AZMOZFJJMQUBBW-UHFFFAOYSA-N	-1	0	289.444	3.865	20	30		CHEDRM
CC(C)c1ccccc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184240226	1122264379	/nfs/dbraw/zinc/26/43/79/1122264379.db2.gz	CEEIMYKMFVECBH-UHFFFAOYSA-N	-1	0	282.363	3.798	20	30		CHEDRM
N#Cc1c(F)cc(Nc2cc([O-])c(F)c(F)c2)cc1F	ZINC001203678498	1122456696	/nfs/dbraw/zinc/45/66/96/1122456696.db2.gz	NUKNURIVZCWGCS-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
O=C(C=Cc1cccc(F)c1F)c1sccc1[O-]	ZINC000193147348	1129056430	/nfs/dbraw/zinc/05/64/30/1129056430.db2.gz	CIWXWKQVZAMWCT-SNAWJCMRSA-N	-1	0	266.268	3.628	20	30		CHEDRM
O=C(C=CC1=Cc2ccccc2OC1)c1sccc1[O-]	ZINC000193147316	1129056557	/nfs/dbraw/zinc/05/65/57/1129056557.db2.gz	KGBCQLHMSOLCME-AATRIKPKSA-N	-1	0	284.336	3.669	20	30		CHEDRM
CCCCCCCNC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC001191106982	1122573368	/nfs/dbraw/zinc/57/33/68/1122573368.db2.gz	ZHRSWWABMUTKDH-UHFFFAOYSA-N	-1	0	286.322	3.762	20	30		CHEDRM
C=CCN(CC1CCCCC1)C(=O)c1c([O-])cccc1F	ZINC000436957945	1122598939	/nfs/dbraw/zinc/59/89/39/1122598939.db2.gz	YLSVRLZIDNCXFB-UHFFFAOYSA-N	-1	0	291.366	3.740	20	30		CHEDRM
CCc1cccc(CC)c1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193506803	1122694954	/nfs/dbraw/zinc/69/49/54/1122694954.db2.gz	YMGZHSOJLGTBIP-UHFFFAOYSA-N	-1	0	294.354	3.641	20	30		CHEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048518116	1122707782	/nfs/dbraw/zinc/70/77/82/1122707782.db2.gz	CNHHNYIONNDICG-CYBMUJFWSA-N	-1	0	297.420	3.857	20	30		CHEDRM
N#Cc1cc(-c2cc(C(=O)[O-])c(Cl)cc2F)ccc1F	ZINC001250637725	1122867915	/nfs/dbraw/zinc/86/79/15/1122867915.db2.gz	PLEXNDSUDFECFD-UHFFFAOYSA-N	-1	0	293.656	3.855	20	30		CHEDRM
CCCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000633894765	1129093694	/nfs/dbraw/zinc/09/36/94/1129093694.db2.gz	QVWJQCZNRNXRAE-LLVKDONJSA-N	-1	0	290.413	3.956	20	30		CHEDRM
CCOc1ccccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000005549053	1123084735	/nfs/dbraw/zinc/08/47/35/1123084735.db2.gz	SKKGIEHYQMPGHY-VAWYXSNFSA-N	-1	0	268.312	3.687	20	30		CHEDRM
CCOc1ncc(Cl)cc1Nc1scc([O-])c1C#N	ZINC001201507230	1123113353	/nfs/dbraw/zinc/11/33/53/1123113353.db2.gz	FCTCEJZBHBZSBZ-UHFFFAOYSA-N	-1	0	295.751	3.516	20	30		CHEDRM
O=C([O-])c1cc(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1Cl	ZINC000853258049	1123430803	/nfs/dbraw/zinc/43/08/03/1123430803.db2.gz	JAYDWAWMJCKWET-MXWKQRLJSA-N	-1	0	292.766	3.872	20	30		CHEDRM
O=C([O-])c1cc(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1Cl	ZINC000853258142	1123430921	/nfs/dbraw/zinc/43/09/21/1123430921.db2.gz	JAYDWAWMJCKWET-OUAUKWLOSA-N	-1	0	292.766	3.872	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909512415	1123442168	/nfs/dbraw/zinc/44/21/68/1123442168.db2.gz	DMJILKYLRDLROG-INIZCTEOSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000856374106	1123558718	/nfs/dbraw/zinc/55/87/18/1123558718.db2.gz	NFNFIJLZSPBXMH-UHFFFAOYSA-N	-1	0	290.388	3.591	20	30		CHEDRM
[O-]/C(=N/[C@@H]1CC[C@@H](F)C1)Nc1nc2ccsc2s1	ZINC000329444575	1123611428	/nfs/dbraw/zinc/61/14/28/1123611428.db2.gz	LQFHHEFNTXQVAR-RNFRBKRXSA-N	-1	0	285.369	3.574	20	30		CHEDRM
COCC[C@@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840712189	1123721762	/nfs/dbraw/zinc/72/17/62/1123721762.db2.gz	XBHZFEKUTLJUMU-PTPOTIKZSA-N	-1	0	290.190	3.791	20	30		CHEDRM
C#CCCCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000863065239	1123841569	/nfs/dbraw/zinc/84/15/69/1123841569.db2.gz	KCQQCJKVFFQVGE-UHFFFAOYSA-N	-1	0	278.739	3.630	20	30		CHEDRM
O=C(CCC1CCCCC1)[N-]S(=O)(=O)C1CCCC1	ZINC000086055643	1129163688	/nfs/dbraw/zinc/16/36/88/1129163688.db2.gz	DIWNLMHDEWBWID-UHFFFAOYSA-N	-1	0	287.425	3.576	20	30		CHEDRM
CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055469	1129164095	/nfs/dbraw/zinc/16/40/95/1129164095.db2.gz	GKDGQQSNVVUTOI-LBPRGKRZSA-N	-1	0	289.441	3.822	20	30		CHEDRM
Cc1ccoc1C(=O)/C=C\c1cc(C(=O)[O-])c(C)cc1C	ZINC000794941602	1124093471	/nfs/dbraw/zinc/09/34/71/1124093471.db2.gz	SDRZLZGRXBERMC-PLNGDYQASA-N	-1	0	284.311	3.799	20	30		CHEDRM
CC(C)(C)c1[n-]n(CCCC2CC2)c(=O)c1CCC#N	ZINC000871736307	1124634452	/nfs/dbraw/zinc/63/44/52/1124634452.db2.gz	GJWGSVAIUZYDBI-UHFFFAOYSA-N	-1	0	275.396	3.533	20	30		CHEDRM
Cc1coc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1C	ZINC001122505663	1131300444	/nfs/dbraw/zinc/30/04/44/1131300444.db2.gz	FDNOKAVXUQFTJC-LBPRGKRZSA-N	-1	0	293.326	3.571	20	30		CHEDRM
Cc1cnc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)c1	ZINC001122720776	1131302778	/nfs/dbraw/zinc/30/27/78/1131302778.db2.gz	FRWZZKLAXJOBBK-LBPRGKRZSA-N	-1	0	299.399	3.768	20	30		CHEDRM
N#CCc1ccc(F)c(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239351792	1131321429	/nfs/dbraw/zinc/32/14/29/1131321429.db2.gz	MQSAKERSECJECW-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc(F)c1C#N	ZINC001239352546	1131321757	/nfs/dbraw/zinc/32/17/57/1131321757.db2.gz	UXFUYYLQSBVXND-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2c[nH]c3ccccc23)c1	ZINC000126371507	1125017089	/nfs/dbraw/zinc/01/70/89/1125017089.db2.gz	CMTJIWRXLZPLIL-CMDGGOBGSA-N	-1	0	291.306	3.762	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cccc(F)c2F)c1	ZINC000126511097	1125025918	/nfs/dbraw/zinc/02/59/18/1125025918.db2.gz	GEMVWRPHXXUSKH-BQYQJAHWSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CCc1cnc(/C=C/C(=O)c2ccc(C)cc2[O-])s1	ZINC000783710324	1125284395	/nfs/dbraw/zinc/28/43/95/1125284395.db2.gz	FPFHCQLLDFQXPX-VOTSOKGWSA-N	-1	0	273.357	3.616	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC(C)(C)C	ZINC000127539690	1125318663	/nfs/dbraw/zinc/31/86/63/1125318663.db2.gz	CALVRBBULPCLOA-ZDUSSCGKSA-N	-1	0	296.370	3.804	20	30		CHEDRM
CCC(=NNc1cccc(OC)c1)c1ccc(C(=O)[O-])cc1	ZINC000760239419	1125323785	/nfs/dbraw/zinc/32/37/85/1125323785.db2.gz	KSJADVHEZDVSMF-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
C[C@]1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCCO1	ZINC000132418245	1125417860	/nfs/dbraw/zinc/41/78/60/1125417860.db2.gz	PYWILTQUEADYTK-DFWYYUMKSA-N	-1	0	288.174	3.687	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2ccc(C)cc2C)n1	ZINC000041519832	1125433326	/nfs/dbraw/zinc/43/33/26/1125433326.db2.gz	IXUGOZQILBKFNG-CYBMUJFWSA-N	-1	0	270.357	3.558	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2coc3ccccc23)c1	ZINC000733902863	1129283526	/nfs/dbraw/zinc/28/35/26/1129283526.db2.gz	BVRSJMANPZFWRO-IUXPMGMMSA-N	-1	0	296.282	3.666	20	30		CHEDRM
Cc1ccc(F)c(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000734979854	1129326673	/nfs/dbraw/zinc/32/66/73/1129326673.db2.gz	DQMUXIGTHHMINL-UTCJRWHESA-N	-1	0	274.266	3.875	20	30		CHEDRM
CC(C)[C@@H](C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000739426994	1129404118	/nfs/dbraw/zinc/40/41/18/1129404118.db2.gz	PRDRVSYCNFAWGN-KLLFSAEGSA-N	-1	0	284.743	3.665	20	30		CHEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1	ZINC000741466474	1129436776	/nfs/dbraw/zinc/43/67/76/1129436776.db2.gz	SRXSBSNFVLSHLD-FFCYNSPCSA-N	-1	0	276.336	3.688	20	30		CHEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@H](C)c1ccccc1	ZINC000746368552	1129651145	/nfs/dbraw/zinc/65/11/45/1129651145.db2.gz	LFUOFLHTSSFTHN-LBPRGKRZSA-N	-1	0	282.343	3.976	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cc2)C[C@H]1c1ccccc1	ZINC000767733877	1129811551	/nfs/dbraw/zinc/81/15/51/1129811551.db2.gz	HCZXXNVSYMZUMQ-BLLLJJGKSA-N	-1	0	294.354	3.976	20	30		CHEDRM
Cc1ccc(N=NC(C)c2ccc(O)c(Cl)c2)nc1	ZINC000768769428	1129871417	/nfs/dbraw/zinc/87/14/17/1129871417.db2.gz	VCRVGPCSHUQJNT-UHFFFAOYSA-N	-1	0	275.739	3.585	20	30		CHEDRM
CC(=NNc1ccc(OC(F)F)cc1)c1sccc1[O-]	ZINC000769781050	1129924951	/nfs/dbraw/zinc/92/49/51/1129924951.db2.gz	CLMLQBGLBCWKBJ-UHFFFAOYSA-N	-1	0	298.314	3.891	20	30		CHEDRM
CC(=NNc1cc(C)cc(C)c1)c1sccc1[O-]	ZINC000769780536	1129925079	/nfs/dbraw/zinc/92/50/79/1129925079.db2.gz	ASYJLLIHNQCBGM-UHFFFAOYSA-N	-1	0	260.362	3.907	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc[nH]2)s1	ZINC000802249616	1129986081	/nfs/dbraw/zinc/98/60/81/1129986081.db2.gz	CJLIFQWHBFIBQR-ZHRWSRJISA-N	-1	0	299.399	3.658	20	30		CHEDRM
Cc1ccc(C#N)c(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242848946	1130089575	/nfs/dbraw/zinc/08/95/75/1130089575.db2.gz	JUHSVTYCCLJJCK-UHFFFAOYSA-N	-1	0	279.126	3.941	20	30		CHEDRM
N#Cc1cc(-c2cc(Cl)c([O-])c(Cl)c2)ccn1	ZINC001242852251	1130090822	/nfs/dbraw/zinc/09/08/22/1130090822.db2.gz	ADZRAZBFRAIERZ-UHFFFAOYSA-N	-1	0	265.099	3.633	20	30		CHEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1cccc([S-])c1	ZINC001242865730	1130108873	/nfs/dbraw/zinc/10/88/73/1130108873.db2.gz	ADPFZCILNHSTQS-UHFFFAOYSA-N	-1	0	280.274	3.928	20	30		CHEDRM
N#Cc1c(F)cc(-c2ccccc2/C=C/C(=O)[O-])cc1F	ZINC001239927869	1130154808	/nfs/dbraw/zinc/15/48/08/1130154808.db2.gz	XSDFUORCWRTCCS-AATRIKPKSA-N	-1	0	285.249	3.601	20	30		CHEDRM
COc1cc(NN=C(C)c2sccc2[O-])ccc1Cl	ZINC000788471783	1130188807	/nfs/dbraw/zinc/18/88/07/1130188807.db2.gz	HOXYXVWRPFAIDC-UHFFFAOYSA-N	-1	0	296.779	3.952	20	30		CHEDRM
O=C1c2ccc(O)cc2C/C1=C/c1nc2c(s1)CCCC2	ZINC000780188353	1130233822	/nfs/dbraw/zinc/23/38/22/1130233822.db2.gz	NZLZBXIDGQOOHA-LUAWRHEFSA-N	-1	0	297.379	3.550	20	30		CHEDRM
CC1=C[C@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000789638567	1130267629	/nfs/dbraw/zinc/26/76/29/1130267629.db2.gz	FIBVECSGSYRQRR-AAEUAGOBSA-N	-1	0	272.348	3.775	20	30		CHEDRM
CC(C)N(C)c1ccc(/C=C\C(=O)c2ccccc2[O-])cn1	ZINC000790222814	1130301412	/nfs/dbraw/zinc/30/14/12/1130301412.db2.gz	XAOGGBJBKGCEAU-NTMALXAHSA-N	-1	0	296.370	3.528	20	30		CHEDRM
C=C(C)c1cncc(-c2ccc(C(=O)[O-])cc2C)c1	ZINC001243203940	1130317756	/nfs/dbraw/zinc/31/77/56/1130317756.db2.gz	STHWCSQWNRAHTL-UHFFFAOYSA-N	-1	0	253.301	3.788	20	30		CHEDRM
C=CCCC/N=C\c1cc(Br)ccc1O	ZINC000790597923	1130320765	/nfs/dbraw/zinc/32/07/65/1130320765.db2.gz	HFIAMJDULVAKGB-ZROIWOOFSA-N	-1	0	268.154	3.540	20	30		CHEDRM
Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)cc(C)c1C#N	ZINC001240549491	1130352152	/nfs/dbraw/zinc/35/21/52/1130352152.db2.gz	LAGWRKYLCPHBTL-VOTSOKGWSA-N	-1	0	277.323	3.940	20	30		CHEDRM
Cc1cc(F)cc(-c2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001240549836	1130352908	/nfs/dbraw/zinc/35/29/08/1130352908.db2.gz	XRMREDAIQJUNHZ-AATRIKPKSA-N	-1	0	281.286	3.771	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1cc(F)ccc1[O-]	ZINC001240693830	1130421461	/nfs/dbraw/zinc/42/14/61/1130421461.db2.gz	ZWCPRQAOWICIMM-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
COc1cc(-c2ccc(C)c(C#N)c2C)ccc1C(=O)[O-]	ZINC001240744629	1130451380	/nfs/dbraw/zinc/45/13/80/1130451380.db2.gz	JBJUSSNVHHDWSG-UHFFFAOYSA-N	-1	0	281.311	3.549	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2ccc(C#N)cc2F)c1	ZINC000772801204	1130458777	/nfs/dbraw/zinc/45/87/77/1130458777.db2.gz	KQJWCPMOEDTTRP-FNORWQNLSA-N	-1	0	281.286	3.608	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1ccc(C(=O)[O-])s1	ZINC001240847912	1130492124	/nfs/dbraw/zinc/49/21/24/1130492124.db2.gz	SANSKKBPDDXQMN-UHFFFAOYSA-N	-1	0	295.266	3.586	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)CC1	ZINC001240974143	1130546303	/nfs/dbraw/zinc/54/63/03/1130546303.db2.gz	UADQURQMJSIOHQ-UHFFFAOYSA-N	-1	0	277.323	3.536	20	30		CHEDRM
Cc1cccc(-c2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001241002392	1130559849	/nfs/dbraw/zinc/55/98/49/1130559849.db2.gz	ZTEVOJDWWZOSPG-UHFFFAOYSA-N	-1	0	251.285	3.540	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(F)c1CC#N	ZINC001241005065	1130560910	/nfs/dbraw/zinc/56/09/10/1130560910.db2.gz	KMVMMRZIXDRMGM-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(F)cc(CC#N)c1	ZINC001241005825	1130562214	/nfs/dbraw/zinc/56/22/14/1130562214.db2.gz	WBTQRLHRFFFXSR-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
C#CCNC(=S)[N-]c1cc(Cl)ccc1SC(C)C	ZINC000758230670	1130602125	/nfs/dbraw/zinc/60/21/25/1130602125.db2.gz	SIJJHCSJBLBHAN-UHFFFAOYSA-N	-1	0	298.864	3.760	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NOC/C=C\Cl)cc1Cl	ZINC000811670148	1130634780	/nfs/dbraw/zinc/63/47/80/1130634780.db2.gz	YNVKROGOCGUAHL-MTTUKDABSA-N	-1	0	280.538	3.802	20	30		CHEDRM
O=C(/C=C/c1nc(Cl)cs1)c1cc(F)ccc1[O-]	ZINC000759082002	1130635900	/nfs/dbraw/zinc/63/59/00/1130635900.db2.gz	AZSPOZBVFHTHIF-ONEGZZNKSA-N	-1	0	283.711	3.537	20	30		CHEDRM
O=C([O-])c1ccc(N=NC=CCc2ccc(F)cc2)cc1	ZINC000747735680	1130635958	/nfs/dbraw/zinc/63/59/58/1130635958.db2.gz	HNSHIUXMHDTIOX-ZMNMEELTSA-N	-1	0	284.290	3.635	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1ccccc1[N+](=O)[O-]	ZINC001234818670	1130678756	/nfs/dbraw/zinc/67/87/56/1130678756.db2.gz	CLRRUVSTAMZODM-NSHDSACASA-N	-1	0	286.287	3.543	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1ccccc1C#N	ZINC001234818691	1130679016	/nfs/dbraw/zinc/67/90/16/1130679016.db2.gz	CRSQRECJPZXENJ-LBPRGKRZSA-N	-1	0	266.300	3.506	20	30		CHEDRM
C=C[C@]1(C)CC[C@@H](Oc2nc3sccc3[nH]2)C(C)(C)O1	ZINC001234848183	1130681217	/nfs/dbraw/zinc/68/12/17/1130681217.db2.gz	MUPPKWRSHAOPCU-IAQYHMDHSA-N	-1	0	292.404	3.906	20	30		CHEDRM
Cc1[nH]c2ccccc2c1CN=Nc1ccccc1C(=O)[O-]	ZINC000812442516	1130690913	/nfs/dbraw/zinc/69/09/13/1130690913.db2.gz	FFVXGZKSLGJYJH-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
Cc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1C	ZINC000812441608	1130691232	/nfs/dbraw/zinc/69/12/32/1130691232.db2.gz	DCAJGXXAPVLSJF-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
N#CCCc1ccc(-c2c(F)cc(F)c([O-])c2F)cc1	ZINC001235998961	1130826882	/nfs/dbraw/zinc/82/68/82/1130826882.db2.gz	UMFZRFMJPAYBMF-UHFFFAOYSA-N	-1	0	277.245	3.933	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2c(F)cc(F)c([O-])c2F)cc1	ZINC001236000708	1130829491	/nfs/dbraw/zinc/82/94/91/1130829491.db2.gz	LISAWQPTUZJTIJ-CNHKJKLMSA-N	-1	0	281.233	3.675	20	30		CHEDRM
N#CCCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC001236060030	1130843562	/nfs/dbraw/zinc/84/35/62/1130843562.db2.gz	HDHOKZSWQWKORT-UHFFFAOYSA-N	-1	0	251.285	3.508	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2ccccc2F)c(Cl)c1	ZINC000783820961	1130855714	/nfs/dbraw/zinc/85/57/14/1130855714.db2.gz	JOYMOHPFVCNKDR-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000814680959	1130893809	/nfs/dbraw/zinc/89/38/09/1130893809.db2.gz	QESQHRZECWTVGV-GFCCVEGCSA-N	-1	0	274.364	3.999	20	30		CHEDRM
Cc1ccc(C)c(N=NC(C)CC2(C(=O)[O-])CCC2)c1	ZINC000814753609	1130907276	/nfs/dbraw/zinc/90/72/76/1130907276.db2.gz	RONNTDFYPQXZDL-UHFFFAOYSA-N	-1	0	274.364	3.736	20	30		CHEDRM
C[C@H]1C(=NOCc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814792480	1130912211	/nfs/dbraw/zinc/91/22/11/1130912211.db2.gz	RMODEHUESXJSHP-JSGCOSHPSA-N	-1	0	289.375	3.716	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@H](C)c1ccccc1	ZINC000814815193	1130916320	/nfs/dbraw/zinc/91/63/20/1130916320.db2.gz	PQEPOLAYHKCWRP-CQSZACIVSA-N	-1	0	296.370	3.686	20	30		CHEDRM
O=C([O-])c1cccc(C=NNc2cccc(F)c2)c1Cl	ZINC000814814862	1130916717	/nfs/dbraw/zinc/91/67/17/1130916717.db2.gz	CJYCMTAJBDZVQK-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CC(=NN[C@@H](C)C(C)(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814937919	1130939533	/nfs/dbraw/zinc/93/95/33/1130939533.db2.gz	RQLFMKSXJNFOJF-XQQFMLRXSA-N	-1	0	282.428	3.524	20	30		CHEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C)C(C)(C)C	ZINC000814937909	1130940221	/nfs/dbraw/zinc/94/02/21/1130940221.db2.gz	RPHKJENXPDWPQJ-WOPDTQHZSA-N	-1	0	282.428	3.524	20	30		CHEDRM
CC[C@H](C)CON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814939059	1130940816	/nfs/dbraw/zinc/94/08/16/1130940816.db2.gz	CLHMVZLKZOYEIC-SRVKXCTJSA-N	-1	0	269.385	3.562	20	30		CHEDRM
C[C@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@@H]1C(=O)[O-]	ZINC000814914028	1130941515	/nfs/dbraw/zinc/94/15/15/1130941515.db2.gz	ZHGHFYOIWINFFX-WFASDCNBSA-N	-1	0	294.439	3.621	20	30		CHEDRM
CC(=NN[C@H]1CCCC1(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814917831	1130941791	/nfs/dbraw/zinc/94/17/91/1130941791.db2.gz	STIKAEHOUJAAEI-RDBSUJKOSA-N	-1	0	294.439	3.668	20	30		CHEDRM
Cc1ccc2c(NNc3ccc(C(=O)[O-])cc3)csc2c1	ZINC000797785212	1131002037	/nfs/dbraw/zinc/00/20/37/1131002037.db2.gz	WXFSQVVZYRVZRH-UHFFFAOYSA-N	-1	0	298.367	3.615	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000798370204	1131033647	/nfs/dbraw/zinc/03/36/47/1131033647.db2.gz	GALRYCOGXADREQ-XQRVVYSFSA-N	-1	0	288.322	3.513	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000798370203	1131033893	/nfs/dbraw/zinc/03/38/93/1131033893.db2.gz	GALRYCOGXADREQ-GQCTYLIASA-N	-1	0	288.322	3.513	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)N[C@@](C)(CCCCCC)C(=O)[O-]	ZINC000799244684	1131078072	/nfs/dbraw/zinc/07/80/72/1131078072.db2.gz	GIPGOSUBPGCLJO-BBRMVZONSA-N	-1	0	283.412	3.519	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)oc1C	ZINC000799896341	1131113700	/nfs/dbraw/zinc/11/37/00/1131113700.db2.gz	HXYIPRHMZBKDRX-ONEGZZNKSA-N	-1	0	276.313	3.552	20	30		CHEDRM
Cc1c(N=NC[C@H]2CC[C@H](C)C2)cccc1C(=O)[O-]	ZINC000844622571	1131585704	/nfs/dbraw/zinc/58/57/04/1131585704.db2.gz	GHAJOCXNBNCLEW-JQWIXIFHSA-N	-1	0	260.337	3.527	20	30		CHEDRM
Cc1c(N=NC[C@@H]2CC[C@@H](C)C2)cccc1C(=O)[O-]	ZINC000844622573	1131585776	/nfs/dbraw/zinc/58/57/76/1131585776.db2.gz	GHAJOCXNBNCLEW-ZYHUDNBSSA-N	-1	0	260.337	3.527	20	30		CHEDRM
Cc1c(N=NC2CC(C(C)C)C2)cccc1C(=O)[O-]	ZINC000844624112	1131586804	/nfs/dbraw/zinc/58/68/04/1131586804.db2.gz	UXEFLCJDIMVKLO-UHFFFAOYSA-N	-1	0	260.337	3.527	20	30		CHEDRM
Cc1c(N=NC(C)CCC2CC2)cccc1C(=O)[O-]	ZINC000844625121	1131587161	/nfs/dbraw/zinc/58/71/61/1131587161.db2.gz	VZHSORCMHYYSGB-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
C[C@H](CC(=O)Nc1cc(C#N)c(F)cc1[O-])c1ccccc1	ZINC001144425968	1131632666	/nfs/dbraw/zinc/63/26/66/1131632666.db2.gz	HBMKQMXXEOGRBA-LLVKDONJSA-N	-1	0	298.317	3.535	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1C(C)C	ZINC000846543881	1131711693	/nfs/dbraw/zinc/71/16/93/1131711693.db2.gz	CVPGHQHXHJRAQH-ZFWWWQNUSA-N	-1	0	291.391	3.590	20	30		CHEDRM
C[C@@H](Oc1cccc2nc(C#N)ccc21)C1=CC=C[CH]1	ZINC001227798786	1131743807	/nfs/dbraw/zinc/74/38/07/1131743807.db2.gz	WXABBFHUHUMBLK-GFCCVEGCSA-N	-1	0	261.304	3.574	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H](C3CC3)C2)cc1F	ZINC000835009686	1131754426	/nfs/dbraw/zinc/75/44/26/1131754426.db2.gz	AWZBGSCNSHVRIK-LLVKDONJSA-N	-1	0	290.338	3.892	20	30		CHEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010306	1131755075	/nfs/dbraw/zinc/75/50/75/1131755075.db2.gz	WWPXJZNESLXNOM-GHMZBOCLSA-N	-1	0	278.327	3.748	20	30		CHEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC001140834463	1131942056	/nfs/dbraw/zinc/94/20/56/1131942056.db2.gz	MGJQTVUMFCXGLS-SNVBAGLBSA-N	-1	0	299.201	3.825	20	30		CHEDRM
Cc1ccc(C)c2c1CCC[C@@H]2Oc1[n-]c(=O)ccc1C#N	ZINC001228902125	1131975249	/nfs/dbraw/zinc/97/52/49/1131975249.db2.gz	QANVFDLKDYFPPS-HNNXBMFYSA-N	-1	0	294.354	3.732	20	30		CHEDRM
C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccc([S-])cc1C	ZINC001229635544	1132099056	/nfs/dbraw/zinc/09/90/56/1132099056.db2.gz	ZHYIIUQSYFUWOI-GFCCVEGCSA-N	-1	0	294.416	3.949	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc2ccccc2o1	ZINC000842694234	1132452379	/nfs/dbraw/zinc/45/23/79/1132452379.db2.gz	TUVIDOLAXZENII-XPSMFNQNSA-N	-1	0	280.327	3.750	20	30		CHEDRM
N#CC(=C([O-])C1=CCCCC1)c1nc(C2CC2)cs1	ZINC000842944059	1132482203	/nfs/dbraw/zinc/48/22/03/1132482203.db2.gz	ICEBBBJMIHGDPZ-GFCCVEGCSA-N	-1	0	272.373	3.697	20	30		CHEDRM
N#CC[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232632402	1132499120	/nfs/dbraw/zinc/49/91/20/1132499120.db2.gz	YNKNZJUOEJIVNN-JTQLQIEISA-N	-1	0	299.201	3.825	20	30		CHEDRM
CCC[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919304	1132698812	/nfs/dbraw/zinc/69/88/12/1132698812.db2.gz	FWHDJZPDZYAPFK-TZMCWYRMSA-N	-1	0	274.364	3.705	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2occc2c1	ZINC001174416074	1132855629	/nfs/dbraw/zinc/85/56/29/1132855629.db2.gz	DGUYBNZAGJBGBU-UHFFFAOYSA-N	-1	0	256.286	3.815	20	30		CHEDRM
Cc1csc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001174494341	1132861581	/nfs/dbraw/zinc/86/15/81/1132861581.db2.gz	CRMCWEOZZWBXHA-AATRIKPKSA-N	-1	0	284.340	3.770	20	30		CHEDRM
Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001174496061	1132862483	/nfs/dbraw/zinc/86/24/83/1132862483.db2.gz	BLTUDPRSKDPPMA-SOFGYWHQSA-N	-1	0	278.311	3.708	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496377	1132862491	/nfs/dbraw/zinc/86/24/91/1132862491.db2.gz	IUYVCOYLGCPGDF-VQHVLOKHSA-N	-1	0	292.338	3.962	20	30		CHEDRM
Cn1ccc2ccc(Nc3scc([O-])c3C#N)cc21	ZINC001174515928	1132908990	/nfs/dbraw/zinc/90/89/90/1132908990.db2.gz	UBJUXKWZLJBZEX-UHFFFAOYSA-N	-1	0	269.329	3.561	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc([C@@H](C)C#N)cc1	ZINC001174677244	1132945520	/nfs/dbraw/zinc/94/55/20/1132945520.db2.gz	HAVSLOPNKGYXKF-NSHDSACASA-N	-1	0	296.326	3.764	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001174684882	1132947689	/nfs/dbraw/zinc/94/76/89/1132947689.db2.gz	JRRICWZPEPDBOT-UHFFFAOYSA-N	-1	0	296.326	3.571	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203292549	1133311522	/nfs/dbraw/zinc/31/15/22/1133311522.db2.gz	QFYWWVOUNRBMGM-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#CC1(c2cccc(-c3ccc(F)c(C(=O)[O-])c3F)c2)CC1	ZINC001205095089	1133529151	/nfs/dbraw/zinc/52/91/51/1133529151.db2.gz	AYONRAZDBYTINB-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
O=C([O-])c1sccc1-c1ccccc1CS	ZINC001205606173	1133594094	/nfs/dbraw/zinc/59/40/94/1133594094.db2.gz	XPZYKXBHUCYFIR-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2csc(C(=O)[O-])c2)cc1	ZINC001206291320	1133684281	/nfs/dbraw/zinc/68/42/81/1133684281.db2.gz	LPAMCVTVHVTLKS-VIFPVBQESA-N	-1	0	257.314	3.740	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccsc1C#N	ZINC001210006839	1134121256	/nfs/dbraw/zinc/12/12/56/1134121256.db2.gz	ICTGZCFQWIGUMN-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(F)c(C#N)c1	ZINC001210007292	1134121726	/nfs/dbraw/zinc/12/17/26/1134121726.db2.gz	BLJVFUMVVWMSGL-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2cnccc2c1	ZINC001210046760	1134134672	/nfs/dbraw/zinc/13/46/72/1134134672.db2.gz	QHSMTOUYWAWPHV-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1cccc(CC(=O)[O-])c1	ZINC001210073357	1134141276	/nfs/dbraw/zinc/14/12/76/1134141276.db2.gz	NJTGBSWSCYEXEL-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1cc(C)c(Nc2cccc(CC(=O)[O-])c2)cc1C#N	ZINC001210076045	1134141383	/nfs/dbraw/zinc/14/13/83/1134141383.db2.gz	CGJHNDXQBIFTRP-UHFFFAOYSA-N	-1	0	280.327	3.546	20	30		CHEDRM
N#Cc1cncc(Nc2ccc(Cl)c(Cl)c2[O-])c1	ZINC001210089697	1134144067	/nfs/dbraw/zinc/14/40/67/1134144067.db2.gz	SFIXTXNWJVUHEM-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1ncccc1Nc1ccc2[n-]c(=S)sc2c1	ZINC001210147582	1134156309	/nfs/dbraw/zinc/15/63/09/1134156309.db2.gz	REJXXZVSAXXOKR-UHFFFAOYSA-N	-1	0	284.369	3.595	20	30		CHEDRM
Cc1cc(Nc2cc(Cl)ccc2[S-])cnc1C#N	ZINC001210204050	1134165887	/nfs/dbraw/zinc/16/58/87/1134165887.db2.gz	NLAGFBOCGYQJLK-UHFFFAOYSA-N	-1	0	275.764	3.947	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1Nc1c(C)ccc(C)c1C#N	ZINC001210260246	1134181528	/nfs/dbraw/zinc/18/15/28/1134181528.db2.gz	JUDRUYUUCJMDCN-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(F)c(F)c1[O-]	ZINC001210502724	1134232756	/nfs/dbraw/zinc/23/27/56/1134232756.db2.gz	ZCGWGSOGZBQTBF-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
N#Cc1ccccc1Nc1cc([O-])c(Cl)cc1F	ZINC001210739100	1134286793	/nfs/dbraw/zinc/28/67/93/1134286793.db2.gz	MWKGAMQUTBSLQS-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1cc(Nc2ccccc2OC2CC2)c([O-])cc1F	ZINC001210842259	1134311055	/nfs/dbraw/zinc/31/10/55/1134311055.db2.gz	LWTBPZPTYKHYLG-UHFFFAOYSA-N	-1	0	284.290	3.688	20	30		CHEDRM
N#Cc1ccc(Cl)nc1Nc1cccc([O-])c1Cl	ZINC001210852057	1134311414	/nfs/dbraw/zinc/31/14/14/1134311414.db2.gz	TXBXROQHGWFNRT-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
COc1c(Nc2cc(C#N)c(C)cc2C)cccc1C(=O)[O-]	ZINC001211039410	1134353607	/nfs/dbraw/zinc/35/36/07/1134353607.db2.gz	JTGXBQZPXUFXLV-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
COc1c(Nc2ccc([C@H](C)C#N)cc2)cccc1C(=O)[O-]	ZINC001211037085	1134354207	/nfs/dbraw/zinc/35/42/07/1134354207.db2.gz	FUSGICBDBPIMPB-LLVKDONJSA-N	-1	0	296.326	3.764	20	30		CHEDRM
CCCOc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001211385515	1134414647	/nfs/dbraw/zinc/41/46/47/1134414647.db2.gz	QBDIKQMMACULJL-UHFFFAOYSA-N	-1	0	286.306	3.935	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213634260	1134470929	/nfs/dbraw/zinc/47/09/29/1134470929.db2.gz	NPNUJSVMNPPDKB-UHFFFAOYSA-N	-1	0	298.317	3.767	20	30		CHEDRM
Cc1cc(Nc2scc([O-])c2C#N)cnc1OC(C)C	ZINC001214938404	1134583485	/nfs/dbraw/zinc/58/34/85/1134583485.db2.gz	GITJJTHLSUJHHY-UHFFFAOYSA-N	-1	0	289.360	3.560	20	30		CHEDRM
Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2F)ccc1C#N	ZINC001215281391	1134613416	/nfs/dbraw/zinc/61/34/16/1134613416.db2.gz	VDWMMYWFBIZTPB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1csc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1C#N	ZINC001215455308	1134629060	/nfs/dbraw/zinc/62/90/60/1134629060.db2.gz	JAODWQHPTRAQJF-UHFFFAOYSA-N	-1	0	294.282	3.648	20	30		CHEDRM
C#Cc1cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)ccc1F	ZINC001215466360	1134630079	/nfs/dbraw/zinc/63/00/79/1134630079.db2.gz	VFRMOHRYURZQRH-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
COc1c(F)c(C)ccc1Nc1scc([O-])c1C#N	ZINC001215599939	1134651034	/nfs/dbraw/zinc/65/10/34/1134651034.db2.gz	HERRZMPRPRLAOT-UHFFFAOYSA-N	-1	0	278.308	3.525	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1[N-]c1nnc(C(C)(C)C)o1	ZINC001215645336	1134655517	/nfs/dbraw/zinc/65/55/17/1134655517.db2.gz	KEFFUVPYJLRPAE-UHFFFAOYSA-N	-1	0	270.336	3.599	20	30		CHEDRM
N#Cc1cccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001215695690	1134660948	/nfs/dbraw/zinc/66/09/48/1134660948.db2.gz	KLLWVELMZANWOH-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cc(F)cc(-c2noc(-c3cccc([S-])c3)n2)c1	ZINC001215761682	1134678392	/nfs/dbraw/zinc/67/83/92/1134678392.db2.gz	RAXOWQLQRIOUBV-UHFFFAOYSA-N	-1	0	297.314	3.703	20	30		CHEDRM
CSc1ncc(Cl)cc1Nc1scc([O-])c1C#N	ZINC001215915178	1134718521	/nfs/dbraw/zinc/71/85/21/1134718521.db2.gz	MLYWZWVAOSBUTH-UHFFFAOYSA-N	-1	0	297.792	3.839	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)c2n[nH]cc21	ZINC001215941729	1134726365	/nfs/dbraw/zinc/72/63/65/1134726365.db2.gz	YENGIWCPZCPZFZ-UHFFFAOYSA-N	-1	0	290.735	3.599	20	30		CHEDRM
COc1c(C)cc(C)cc1Nc1scc([O-])c1C#N	ZINC001215996283	1134746085	/nfs/dbraw/zinc/74/60/85/1134746085.db2.gz	PNPWGDXEUHUNRW-UHFFFAOYSA-N	-1	0	274.345	3.694	20	30		CHEDRM
Cc1cc(Nc2cccc(F)c2C#N)cc(C)c1C(=O)[O-]	ZINC001216311532	1134846715	/nfs/dbraw/zinc/84/67/15/1134846715.db2.gz	NBMXIOKLKCKKNE-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CCc1cc([N-]c2nnc(-c3ccco3)o2)ccc1C#N	ZINC001216313562	1134848425	/nfs/dbraw/zinc/84/84/25/1134848425.db2.gz	NBXWMNKLUZSKHT-UHFFFAOYSA-N	-1	0	280.287	3.507	20	30		CHEDRM
Cc1c(Nc2ccc(C#N)c(F)c2F)cccc1C(=O)[O-]	ZINC001216661643	1134941479	/nfs/dbraw/zinc/94/14/79/1134941479.db2.gz	LNBWVEGOKHLDDB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216680765	1134944191	/nfs/dbraw/zinc/94/41/91/1134944191.db2.gz	CNBFKCUPMVMYCC-UHFFFAOYSA-N	-1	0	298.317	3.685	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222403090	1135237088	/nfs/dbraw/zinc/23/70/88/1135237088.db2.gz	KKSIVDGJNIBLTA-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#CCc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1F	ZINC001222679062	1135263805	/nfs/dbraw/zinc/26/38/05/1135263805.db2.gz	TVGFWFLLPROTFY-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
C=C[C@@H](CCCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223744835	1135377696	/nfs/dbraw/zinc/37/76/96/1135377696.db2.gz	RNGVABTZKWOHBH-AWEZNQCLSA-N	-1	0	298.404	3.585	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009558	1135651720	/nfs/dbraw/zinc/65/17/20/1135651720.db2.gz	YELAWFSKSNEANB-OSMZGAPFSA-N	-1	0	290.338	3.558	20	30		CHEDRM
N#C[C@H](Oc1cccc([S-])c1)c1cccc(F)c1	ZINC001226014546	1135652558	/nfs/dbraw/zinc/65/25/58/1135652558.db2.gz	VYFGDCQHYBOFKD-AWEZNQCLSA-N	-1	0	259.305	3.758	20	30		CHEDRM
CCC[C@H](CC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226062965	1135659249	/nfs/dbraw/zinc/65/92/49/1135659249.db2.gz	ADJXIHOFDHQDMM-QMMMGPOBSA-N	-1	0	288.269	3.635	20	30		CHEDRM
[O-]/N=C/c1cccc(O[C@H](c2cccnc2)C(F)(F)F)c1	ZINC001226114890	1135664382	/nfs/dbraw/zinc/66/43/82/1135664382.db2.gz	TWESPXPSYFQDAT-KMDAILJESA-N	-1	0	296.248	3.572	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccc(Cl)c2)c1C#N	ZINC001226223773	1135673686	/nfs/dbraw/zinc/67/36/86/1135673686.db2.gz	UEKKZCLUYNVCMN-SNVBAGLBSA-N	-1	0	288.734	3.761	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccccc2Cl)c1C#N	ZINC001226221030	1135673746	/nfs/dbraw/zinc/67/37/46/1135673746.db2.gz	GOMTUAOCTKDYKV-SNVBAGLBSA-N	-1	0	288.734	3.761	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H](c2ccccc2)C(C)C)c1C#N	ZINC001226221609	1135673964	/nfs/dbraw/zinc/67/39/64/1135673964.db2.gz	NWJLRDHYBBDFOF-INIZCTEOSA-N	-1	0	282.343	3.743	20	30		CHEDRM
C=CCC[C@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226553074	1135712745	/nfs/dbraw/zinc/71/27/45/1135712745.db2.gz	GQAXYCDMJIIBCZ-VIFPVBQESA-N	-1	0	293.754	3.507	20	30		CHEDRM
C=C[C@@H](CCCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605733	1135849727	/nfs/dbraw/zinc/84/97/27/1135849727.db2.gz	NARLVJPWJLKRSC-ZETCQYMHSA-N	-1	0	277.151	3.613	20	30		CHEDRM
N#Cc1ccc(CSc2ccc(C(=O)[O-])cc2)cc1	ZINC000019396893	170783101	/nfs/dbraw/zinc/78/31/01/170783101.db2.gz	RXBBZGVJQSZOOI-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2)cc(C(F)(F)F)c1	ZINC000519776552	265608368	/nfs/dbraw/zinc/60/83/68/265608368.db2.gz	QFVCVZNBXVMPSJ-UHFFFAOYSA-N	-1	0	291.228	3.942	20	30		CHEDRM
CSc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000357562489	266325194	/nfs/dbraw/zinc/32/51/94/266325194.db2.gz	AGAOGCASVLOGJJ-YWEYNIOJSA-N	-1	0	296.351	3.544	20	30		CHEDRM
N#Cc1sccc1-c1ccc2c(c1)CC[C@@]21C[C@H]1C(=O)[O-]	ZINC000582133030	327804281	/nfs/dbraw/zinc/80/42/81/327804281.db2.gz	GQIQYAWSGPYBRT-WMLDXEAASA-N	-1	0	295.363	3.575	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)oc1C	ZINC000531756825	328031811	/nfs/dbraw/zinc/03/18/11/328031811.db2.gz	ACPWFZTVKOJBOO-LLVKDONJSA-N	-1	0	296.351	3.996	20	30		CHEDRM
CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000171960374	329082550	/nfs/dbraw/zinc/08/25/50/329082550.db2.gz	ZTUWQBIOLFHRIQ-VIFPVBQESA-N	-1	0	298.323	3.633	20	30		CHEDRM
C=CCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000546859533	334052041	/nfs/dbraw/zinc/05/20/41/334052041.db2.gz	KKQPTMPAPKCHMZ-UHFFFAOYSA-N	-1	0	274.147	3.994	20	30		CHEDRM
O=C(CC1(C(=O)[O-])CCCC1)N[C@@H]1C[C@H]1C1CCCCC1	ZINC000330351610	534482343	/nfs/dbraw/zinc/48/23/43/534482343.db2.gz	MMJXOKXNMDIYJE-UONOGXRCSA-N	-1	0	293.407	3.947	20	30		CHEDRM
N#Cc1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000065349646	567897186	/nfs/dbraw/zinc/89/71/86/567897186.db2.gz	RVTDXMKYXJWLKM-UHFFFAOYSA-N	-1	0	257.676	3.577	20	30		CHEDRM
C=CCCC(=O)OCc1c2ccccc2sc1C(=O)[O-]	ZINC000736097323	599945177	/nfs/dbraw/zinc/94/51/77/599945177.db2.gz	GVJZJZHUEMFWMZ-UHFFFAOYSA-N	-1	0	290.340	3.609	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/CCc3sccc3C2=O)cc1	ZINC000726891166	599966503	/nfs/dbraw/zinc/96/65/03/599966503.db2.gz	GUZFQWUGLCDQDS-XFXZXTDPSA-N	-1	0	284.336	3.659	20	30		CHEDRM
C=CCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-]	ZINC000736098046	600451020	/nfs/dbraw/zinc/45/10/20/600451020.db2.gz	QCUCFWGMCMUOJT-UHFFFAOYSA-N	-1	0	281.377	3.649	20	30		CHEDRM
C[C@@H](Sc1ncccc1C(=O)[O-])c1ccc(C#N)cc1	ZINC000736716028	600472796	/nfs/dbraw/zinc/47/27/96/600472796.db2.gz	XLDNTZZOIJXMGW-SNVBAGLBSA-N	-1	0	284.340	3.505	20	30		CHEDRM
N#Cc1ccccc1S[C@@H](C(=O)[O-])c1ccccc1F	ZINC000833076628	600729703	/nfs/dbraw/zinc/72/97/03/600729703.db2.gz	KPRIMNYXQYMDBY-CQSZACIVSA-N	-1	0	287.315	3.615	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000829566065	601330392	/nfs/dbraw/zinc/33/03/92/601330392.db2.gz	BRAAKUIGHHXPSO-PKNBQFBNSA-N	-1	0	283.327	3.562	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc3ccccc32)[nH]1	ZINC000833311810	601330611	/nfs/dbraw/zinc/33/06/11/601330611.db2.gz	DIWOXYROYKTEMY-PKNBQFBNSA-N	-1	0	291.306	3.762	20	30		CHEDRM
O=C([O-])C1(C/N=C\c2c(O)ccc3ccccc32)CCCC1	ZINC000833174512	601366247	/nfs/dbraw/zinc/36/62/47/601366247.db2.gz	QYOKNCUJYRUKET-ODLFYWEKSA-N	-1	0	297.354	3.609	20	30		CHEDRM
CC(C)c1ccc([C@@H](C)NN=Cc2c[nH]c(C(=O)[O-])c2)cc1	ZINC000814811359	601797167	/nfs/dbraw/zinc/79/71/67/601797167.db2.gz	BIQSPERGGVNNHP-GFCCVEGCSA-N	-1	0	299.374	3.521	20	30		CHEDRM
N#Cc1ccc(SCc2occc2C(=O)[O-])c(Cl)c1	ZINC000833074084	601817802	/nfs/dbraw/zinc/81/78/02/601817802.db2.gz	ODEYPHNFAFHHAK-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
N#Cc1cccc(S[C@@H](C(=O)[O-])c2ccccc2F)c1	ZINC000833074771	602290634	/nfs/dbraw/zinc/29/06/34/602290634.db2.gz	BXHBWEVDMPYDRS-CQSZACIVSA-N	-1	0	287.315	3.615	20	30		CHEDRM
N#Cc1cccc(SCc2ccsc2C(=O)[O-])c1	ZINC000833074985	602290706	/nfs/dbraw/zinc/29/07/06/602290706.db2.gz	HZTOJSBCWMTENP-UHFFFAOYSA-N	-1	0	275.354	3.610	20	30		CHEDRM
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000738397834	602563430	/nfs/dbraw/zinc/56/34/30/602563430.db2.gz	ZWEHBODLWIVQHO-UHFFFAOYSA-N	-1	0	284.290	3.690	20	30		CHEDRM
CC(C)(C#N)CCCNc1cc(NC(=O)[O-])ccc1F	ZINC000823736813	604269071	/nfs/dbraw/zinc/26/90/71/604269071.db2.gz	APIHRYOHCNDYRF-UHFFFAOYSA-N	-1	0	279.315	3.657	20	30		CHEDRM
C=CCCCCCN(C)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825671631	604484925	/nfs/dbraw/zinc/48/49/25/604484925.db2.gz	YCNBCOFDPGKMHN-UHFFFAOYSA-N	-1	0	296.392	3.656	20	30		CHEDRM
Cc1cc(F)ccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832890396	604630144	/nfs/dbraw/zinc/63/01/44/604630144.db2.gz	UXCDYQHTNLXNHZ-CLFYSBASSA-N	-1	0	284.286	3.728	20	30		CHEDRM
C=C(Cl)CSCc1ccc(C(=O)[O-])cc1F	ZINC000833370594	604756380	/nfs/dbraw/zinc/75/63/80/604756380.db2.gz	PSTMNJIUCDSHAU-UHFFFAOYSA-N	-1	0	260.717	3.510	20	30		CHEDRM
C=C(C)COc1cccc(NCc2ccc(C(=O)[O-])o2)c1	ZINC000833371125	604776840	/nfs/dbraw/zinc/77/68/40/604776840.db2.gz	WWQQFKPQJKHGPH-UHFFFAOYSA-N	-1	0	287.315	3.545	20	30		CHEDRM
C[C@@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000833526859	605208870	/nfs/dbraw/zinc/20/88/70/605208870.db2.gz	WJLRRIOKCNSJRM-GFCCVEGCSA-N	-1	0	295.342	3.846	20	30		CHEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000783817357	605329200	/nfs/dbraw/zinc/32/92/00/605329200.db2.gz	SEIWQYPPGRDFND-NWDGAFQWSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C[C@@H]1CCC[C@@H](CN=Nc2cccc(C(=O)[O-])c2)C1	ZINC000768358450	605593741	/nfs/dbraw/zinc/59/37/41/605593741.db2.gz	VQBNKJMCASBKRO-VXGBXAGGSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C=C[C@H](Sc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000322749704	970926087	/nfs/dbraw/zinc/92/60/87/970926087.db2.gz	CZTIKBGPPFVFGN-QMMMGPOBSA-N	-1	0	263.145	3.725	20	30		CHEDRM
C=C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1	ZINC001602713298	971363727	/nfs/dbraw/zinc/36/37/27/971363727.db2.gz	YFGCVDUMCSZABC-HNNXBMFYSA-N	-1	0	295.338	3.602	20	30		CHEDRM
COc1ccc(C)cc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000007915486	956884431	/nfs/dbraw/zinc/88/44/31/956884431.db2.gz	MMKYWZZHFRHBNW-RMKNXTFCSA-N	-1	0	296.322	3.598	20	30		CHEDRM
N#Cc1ccc(F)cc1CSc1ccc(C(=O)[O-])cc1	ZINC000069401066	957651233	/nfs/dbraw/zinc/65/12/33/957651233.db2.gz	YDQOVSQVKFZLOY-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588451219	958408013	/nfs/dbraw/zinc/40/80/13/958408013.db2.gz	PPIVSMHXSCNNCZ-MRVPVSSYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001588460450	958476385	/nfs/dbraw/zinc/47/63/85/958476385.db2.gz	IFIMGVUUJPBNRO-GOSISDBHSA-N	-1	0	299.370	3.555	20	30		CHEDRM
CCCCCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000134975555	958870668	/nfs/dbraw/zinc/87/06/68/958870668.db2.gz	DJEJAFAMAIOSRF-CQSZACIVSA-N	-1	0	297.439	3.696	20	30		CHEDRM
Cc1cc(OCc2ccc(C#N)cc2C)c(C(=O)[O-])s1	ZINC000165107372	959271305	/nfs/dbraw/zinc/27/13/05/959271305.db2.gz	AGMXFWFHEBWBHJ-UHFFFAOYSA-N	-1	0	287.340	3.514	20	30		CHEDRM
CCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000213637219	959724130	/nfs/dbraw/zinc/72/41/30/959724130.db2.gz	BBECTEJMVJPQHC-XGICHPGQSA-N	-1	0	296.322	3.680	20	30		CHEDRM
C=C(C)CCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC001573323658	962775407	/nfs/dbraw/zinc/77/54/07/962775407.db2.gz	FDDBBFYTAJQRSC-UHFFFAOYSA-N	-1	0	289.356	3.894	20	30		CHEDRM
C=CCCCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1	ZINC001573357340	963014358	/nfs/dbraw/zinc/01/43/58/963014358.db2.gz	LQZLOADOMOOYOH-HNNXBMFYSA-N	-1	0	295.423	3.663	20	30		CHEDRM
C=CCN(Cc1cc(C(=O)[O-])c(CC)o1)c1ccccc1	ZINC001573368137	963075466	/nfs/dbraw/zinc/07/54/66/963075466.db2.gz	IVKVHWVBBQGQMM-UHFFFAOYSA-N	-1	0	285.343	3.733	20	30		CHEDRM
CC(C)OCc1cccc(-c2ccc(C(=O)[O-])c(C#N)c2)c1	ZINC001591735850	975728727	/nfs/dbraw/zinc/72/87/27/975728727.db2.gz	VJUNSRRDORUXSF-UHFFFAOYSA-N	-1	0	295.338	3.848	20	30		CHEDRM
CC(C)Oc1c(N=Cc2ccccc2O)cccc1C(=O)[O-]	ZINC001591741058	975747265	/nfs/dbraw/zinc/74/72/65/975747265.db2.gz	RKVOQLVGTSXKKA-UHFFFAOYSA-N	-1	0	299.326	3.628	20	30		CHEDRM
Cc1ccc(CCC(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763367690	978720589	/nfs/dbraw/zinc/72/05/89/978720589.db2.gz	FVSUSHLQRBSSPE-UHFFFAOYSA-N	-1	0	297.358	3.509	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(Cl)s2)c1	ZINC000765825504	978723820	/nfs/dbraw/zinc/72/38/20/978723820.db2.gz	PKRMDORUPONPBW-PLNGDYQASA-N	-1	0	292.743	3.996	20	30		CHEDRM
CC(C)(C)[C@H]1CCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000807944120	978850897	/nfs/dbraw/zinc/85/08/97/978850897.db2.gz	SBCSRCSLOUQTNS-LBPRGKRZSA-N	-1	0	260.337	3.609	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@H](c3ccccc3)C2)nc1	ZINC000814890613	978896424	/nfs/dbraw/zinc/89/64/24/978896424.db2.gz	ULBRPJKOEMOHFF-ZDUSSCGKSA-N	-1	0	295.342	3.515	20	30		CHEDRM
CC(=NNC1CCCCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814909310	978897995	/nfs/dbraw/zinc/89/79/95/978897995.db2.gz	KGTROSMJCKORMP-LBPRGKRZSA-N	-1	0	268.401	3.566	20	30		CHEDRM
CC(=NN[C@@H](C)C(C)(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000814937934	978899608	/nfs/dbraw/zinc/89/96/08/978899608.db2.gz	RUUXTGIOIDFVIZ-YPMHNXCESA-N	-1	0	270.417	3.668	20	30		CHEDRM
Cc1c(N=NC(C)C2CCSCC2)cccc1C(=O)[O-]	ZINC000844623860	979397850	/nfs/dbraw/zinc/39/78/50/979397850.db2.gz	NQURYSLGNRTUSW-UHFFFAOYSA-N	-1	0	292.404	3.624	20	30		CHEDRM
N#Cc1cccc(Nc2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001210924836	1118423769	/nfs/dbraw/zinc/42/37/69/1118423769.db2.gz	TYOOMUWZPKMRQP-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000907583077	981196508	/nfs/dbraw/zinc/19/65/08/981196508.db2.gz	YUCLKALAUQBINI-SECBINFHSA-N	-1	0	281.739	3.579	20	30		CHEDRM
CCCC[C@@H](CCC)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001595632759	981859940	/nfs/dbraw/zinc/85/99/40/981859940.db2.gz	QBTRNISGMSHNHO-GFCCVEGCSA-N	-1	0	289.379	3.670	20	30		CHEDRM
CCCC[C@H](S[C@H](C#N)C1CCCCC1)C(=O)[O-]	ZINC001595652652	982035762	/nfs/dbraw/zinc/03/57/62/982035762.db2.gz	WBUUHKURDPKYPU-QWHCGFSZSA-N	-1	0	269.410	3.835	20	30		CHEDRM
CCCC[C@H](SCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC001595654467	982040705	/nfs/dbraw/zinc/04/07/05/982040705.db2.gz	CIFXGGNBXQXRIC-ZDUSSCGKSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCC[C@@H](SCc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001595657274	982061211	/nfs/dbraw/zinc/06/12/11/982061211.db2.gz	KAEWAQRXDJSJJY-CYBMUJFWSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCCCCCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC001595702240	982261964	/nfs/dbraw/zinc/26/19/64/982261964.db2.gz	FOIBFSLTORWVRD-KRWDZBQOSA-N	-1	0	297.439	3.887	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])no1	ZINC001595704633	982277881	/nfs/dbraw/zinc/27/78/81/982277881.db2.gz	FGWMNHKAZDYIPG-NSHDSACASA-N	-1	0	296.367	3.698	20	30		CHEDRM
CCCCCCCCCC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001595705029	982281726	/nfs/dbraw/zinc/28/17/26/982281726.db2.gz	NYBJEVWIIRIEFS-HUUCEWRRSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001595704980	982282033	/nfs/dbraw/zinc/28/20/33/982282033.db2.gz	MIKZCLIPYJPQBM-SOUVJXGZSA-N	-1	0	297.439	3.695	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1	ZINC001596058031	983364585	/nfs/dbraw/zinc/36/45/85/983364585.db2.gz	DFBRZMWNUVJOSK-CSKARUKUSA-N	-1	0	284.311	3.826	20	30		CHEDRM
C#Cc1cccc(N(CC)Cc2cc(C(=O)[O-])ccc2F)c1	ZINC001588522208	983569965	/nfs/dbraw/zinc/56/99/65/983569965.db2.gz	IXJBGCKNXSQLKR-UHFFFAOYSA-N	-1	0	297.329	3.532	20	30		CHEDRM
C=C(C)C[C@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001588537358	983599451	/nfs/dbraw/zinc/59/94/51/983599451.db2.gz	NMKNJUXUBQJYQP-CABCVRRESA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C(C)CCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588555057	983632964	/nfs/dbraw/zinc/63/29/64/983632964.db2.gz	YAIGZBCNDTZHHO-UHFFFAOYSA-N	-1	0	283.327	3.833	20	30		CHEDRM
C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1	ZINC001588605525	983693043	/nfs/dbraw/zinc/69/30/43/983693043.db2.gz	KVCLJCIUHSOMNW-DARAHFNDSA-N	-1	0	271.360	3.631	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001588605603	983693535	/nfs/dbraw/zinc/69/35/35/983693535.db2.gz	IBFOJRFJIMJXET-UHFFFAOYSA-N	-1	0	289.375	3.590	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1	ZINC001588605943	983695661	/nfs/dbraw/zinc/69/56/61/983695661.db2.gz	RQSQONWTGDLSJJ-UHFFFAOYSA-N	-1	0	298.342	3.615	20	30		CHEDRM
C=C(CC)CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-]	ZINC001588607219	983700179	/nfs/dbraw/zinc/70/01/79/983700179.db2.gz	WQJLPGHWPLSORE-AWEZNQCLSA-N	-1	0	264.390	3.690	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)N(CCCC)[C@H]1CCC[C@@H](C)C1	ZINC001588612845	983704112	/nfs/dbraw/zinc/70/41/12/983704112.db2.gz	YLOOFOOHJAEMOQ-HIFRSBDPSA-N	-1	0	295.423	3.615	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1	ZINC001588612846	983704230	/nfs/dbraw/zinc/70/42/30/983704230.db2.gz	YLOOFOOHJAEMOQ-UKRRQHHQSA-N	-1	0	295.423	3.615	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588692608	983884480	/nfs/dbraw/zinc/88/44/80/983884480.db2.gz	FRQQCUAQJOJKGQ-VIFPVBQESA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=CCCCCCOc1ccc(C(=O)[O-])c(OC)c1	ZINC001588799899	984243019	/nfs/dbraw/zinc/24/30/19/984243019.db2.gz	ODQORFFBTAXCDH-UHFFFAOYSA-N	-1	0	264.321	3.519	20	30		CHEDRM
C=CCCCCCN(C)C(=O)Nc1ccc(C(=O)[O-])s1	ZINC001588800028	984243399	/nfs/dbraw/zinc/24/33/99/984243399.db2.gz	XBWALECVLBCTQB-UHFFFAOYSA-N	-1	0	296.392	3.656	20	30		CHEDRM
C=CCOc1ccc(/C=C\c2ccc(C(=O)[O-])cn2)cc1	ZINC001588874587	984448608	/nfs/dbraw/zinc/44/86/08/984448608.db2.gz	BPVXCDBCGCOZKD-CLTKARDFSA-N	-1	0	281.311	3.515	20	30		CHEDRM
CC(C)(C#N)CCCNc1cccc(C(=O)[O-])c1Cl	ZINC001589554886	987304222	/nfs/dbraw/zinc/30/42/22/987304222.db2.gz	TZMURAZSHGOQFY-UHFFFAOYSA-N	-1	0	280.755	3.780	20	30		CHEDRM
CC(C)(C)[C@@H](Sc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC001589722857	987895049	/nfs/dbraw/zinc/89/50/49/987895049.db2.gz	ONVWWAFYCKNRTA-NSHDSACASA-N	-1	0	283.780	3.803	20	30		CHEDRM
CCc1ccc(C=NNc2cccc(F)c2C(=O)[O-])s1	ZINC001597519817	988142514	/nfs/dbraw/zinc/14/25/14/988142514.db2.gz	CQZBARFHUORPQQ-UHFFFAOYSA-N	-1	0	292.335	3.594	20	30		CHEDRM
CCc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C	ZINC001597552368	988280452	/nfs/dbraw/zinc/28/04/52/988280452.db2.gz	WMRZREHUABYPTN-QGZVFWFLSA-N	-1	0	294.354	3.667	20	30		CHEDRM
CSc1ccccc1NCc1cccc(C(=O)[O-])c1C#N	ZINC001599825182	988586725	/nfs/dbraw/zinc/58/67/25/988586725.db2.gz	KSNZKFZMOAKQEV-UHFFFAOYSA-N	-1	0	298.367	3.590	20	30		CHEDRM
CN(CCCCC(C)(C)C#N)c1ccccc1C(=O)[O-]	ZINC001598475777	992074310	/nfs/dbraw/zinc/07/43/10/992074310.db2.gz	KIZWURSCHQOPSA-UHFFFAOYSA-N	-1	0	274.364	3.541	20	30		CHEDRM
C[C@@H](Sc1nc(C(=O)[O-])cs1)c1ccc(C#N)cc1	ZINC001593680094	996106391	/nfs/dbraw/zinc/10/63/91/996106391.db2.gz	SOYATUNFNQJOMF-MRVPVSSYSA-N	-1	0	290.369	3.566	20	30		CHEDRM
CC1(C)CCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001593883788	996718631	/nfs/dbraw/zinc/71/86/31/996718631.db2.gz	UGPUIGRMGNMKNV-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
Cc1cc(-c2csc(C(=O)[O-])c2)cc(C)c1C#N	ZINC001206279520	1121686152	/nfs/dbraw/zinc/68/61/52/1121686152.db2.gz	WZRVXWWXCWQVKK-UHFFFAOYSA-N	-1	0	257.314	3.602	20	30		CHEDRM
O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(F)cc1[O-]	ZINC000757475040	1125770510	/nfs/dbraw/zinc/77/05/10/1125770510.db2.gz	GBIRNKLDWMHAFE-VMPITWQZSA-N	-1	0	296.297	3.746	20	30		CHEDRM
O=C(C=Cc1ccc(F)cc1F)c1sccc1[O-]	ZINC000771744170	1129988075	/nfs/dbraw/zinc/98/80/75/1129988075.db2.gz	ITXCWDFHELKVRE-RQOWECAXSA-N	-1	0	266.268	3.628	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000907630146	1126981359	/nfs/dbraw/zinc/98/13/59/1126981359.db2.gz	VPZJCROSXIDHIE-LBPRGKRZSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=CCN=c1[n-]nc(S[C@@H](C)c2ccccc2C)s1	ZINC000487213113	1127024880	/nfs/dbraw/zinc/02/48/80/1127024880.db2.gz	XFJVFWLKWKTHQC-NSHDSACASA-N	-1	0	291.445	3.720	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)CCC1	ZINC000911690721	1127086171	/nfs/dbraw/zinc/08/61/71/1127086171.db2.gz	YRQOZANWLSPOPN-UHFFFAOYSA-N	-1	0	291.322	3.517	20	30		CHEDRM
O=C(/C=C/c1ccc2ncccc2c1)c1ccccc1[O-]	ZINC000156606089	1127159912	/nfs/dbraw/zinc/15/99/12/1127159912.db2.gz	OZIXSYYLLMZQIO-CSKARUKUSA-N	-1	0	275.307	3.837	20	30		CHEDRM
O=C(/C=C/c1cccnc1)c1ccc2ccccc2c1[O-]	ZINC000156610975	1127163325	/nfs/dbraw/zinc/16/33/25/1127163325.db2.gz	YUZTXAIMIHWZSY-JXMROGBWSA-N	-1	0	275.307	3.837	20	30		CHEDRM
CCC(CC)CN(CCC#N)Cc1c(F)ccc(O)c1F	ZINC000351397678	1127187856	/nfs/dbraw/zinc/18/78/56/1127187856.db2.gz	MSTDTJVVMADQPS-UHFFFAOYSA-N	-1	0	296.361	3.822	20	30		CHEDRM
CC(C)CCN(CCC#N)Cc1cccc(O)c1Cl	ZINC000351398793	1127188205	/nfs/dbraw/zinc/18/82/05/1127188205.db2.gz	PCQZRJRQTMAYCL-UHFFFAOYSA-N	-1	0	280.799	3.807	20	30		CHEDRM
C=C[C@@H](CCCCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225019192	1127321820	/nfs/dbraw/zinc/32/18/20/1127321820.db2.gz	UKLXTHSJPWQWFX-AWEZNQCLSA-N	-1	0	292.356	3.876	20	30		CHEDRM
N#CCCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000594335531	1127414067	/nfs/dbraw/zinc/41/40/67/1127414067.db2.gz	SPJFPJJUNNPMEZ-UHFFFAOYSA-N	-1	0	287.146	3.721	20	30		CHEDRM
CC(C)(C)c1[n-]n(CCC2CCC2)c(=O)c1CCC#N	ZINC000596260075	1127488437	/nfs/dbraw/zinc/48/84/37/1127488437.db2.gz	GZGIUOCPKZWXNJ-UHFFFAOYSA-N	-1	0	275.396	3.533	20	30		CHEDRM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nccc2ccccc21	ZINC000361527130	1127570027	/nfs/dbraw/zinc/57/00/27/1127570027.db2.gz	QRKJVDWFBCBHNU-QGZVFWFLSA-N	-1	0	297.317	3.597	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nccc2ccccc21	ZINC000361530165	1127570178	/nfs/dbraw/zinc/57/01/78/1127570178.db2.gz	YHQMPWZMJDKMOK-LBPRGKRZSA-N	-1	0	296.713	3.971	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1CCC1	ZINC000173915928	1127860211	/nfs/dbraw/zinc/86/02/11/1127860211.db2.gz	IMXKZVXMEHMBGG-CQSZACIVSA-N	-1	0	294.354	3.558	20	30		CHEDRM
CCCCCCCC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000088359226	1127923716	/nfs/dbraw/zinc/92/37/16/1127923716.db2.gz	BZGCKQVCBPBHHS-AWEZNQCLSA-N	-1	0	283.412	3.593	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c(C)c1	ZINC000915106953	1128283355	/nfs/dbraw/zinc/28/33/55/1128283355.db2.gz	XVJFSWMCLKUIEG-MDZDMXLPSA-N	-1	0	294.350	3.827	20	30		CHEDRM
CCOc1ccccc1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000916240822	1128412606	/nfs/dbraw/zinc/41/26/06/1128412606.db2.gz	PZATYGWFIPCHQQ-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
Cc1ccc(F)c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000763291666	1128388790	/nfs/dbraw/zinc/38/87/90/1128388790.db2.gz	DAVLCARLYJPBEP-UITAMQMPSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(=NNc1cccc2ncccc21)c1cc(F)ccc1O	ZINC000915964781	1128400363	/nfs/dbraw/zinc/40/03/63/1128400363.db2.gz	NZHWHQIJCURCOJ-UHFFFAOYSA-N	-1	0	295.317	3.916	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)ccc2F)s1	ZINC000915987277	1128401881	/nfs/dbraw/zinc/40/18/81/1128401881.db2.gz	BPCBKRDKIUZURN-RJRFIUFISA-N	-1	0	294.278	3.621	20	30		CHEDRM
Cc1ccc2c(CN=Nc3ccccc3C(=O)[O-])c[nH]c2c1	ZINC000917542643	1128503823	/nfs/dbraw/zinc/50/38/23/1128503823.db2.gz	JPQYZBJCYKLZKT-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
CS[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000901249010	1128532942	/nfs/dbraw/zinc/53/29/42/1128532942.db2.gz	QPJPSUSXTDVWBT-NSHDSACASA-N	-1	0	296.367	3.597	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042320295	1128573052	/nfs/dbraw/zinc/57/30/52/1128573052.db2.gz	WRWSVCWPXPZOIN-VAWYXSNFSA-N	-1	0	281.377	3.524	20	30		CHEDRM
C[C@@H](C#N)Oc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000156600888	1128637467	/nfs/dbraw/zinc/63/74/67/1128637467.db2.gz	KHQRQSDKEJJNGW-YKWSONSWSA-N	-1	0	293.322	3.579	20	30		CHEDRM
Cc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)cc1C#N	ZINC000600964641	1128688675	/nfs/dbraw/zinc/68/86/75/1128688675.db2.gz	FBOXKDXDJJELPW-UHFFFAOYSA-N	-1	0	284.340	3.566	20	30		CHEDRM
CCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000920942964	1128695622	/nfs/dbraw/zinc/69/56/22/1128695622.db2.gz	IRLZDQDVLVQYLC-UHFFFAOYSA-N	-1	0	270.288	3.613	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc3c2CCCC3)c1	ZINC000920943321	1128695635	/nfs/dbraw/zinc/69/56/35/1128695635.db2.gz	VCYCMQDTSPABOS-UHFFFAOYSA-N	-1	0	296.326	3.930	20	30		CHEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518316	1128714606	/nfs/dbraw/zinc/71/46/06/1128714606.db2.gz	UCDPLZOFWHNZKS-KHPPLWFESA-N	-1	0	293.388	3.524	20	30		CHEDRM
C[C@H](N=c1nc(C2CCCC2)[n-]s1)c1ccc(C#N)cc1	ZINC000579822286	1117882058	/nfs/dbraw/zinc/88/20/58/1117882058.db2.gz	KAVFJNNVUHUITB-NSHDSACASA-N	-1	0	298.415	3.662	20	30		CHEDRM
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cc1	ZINC000254973387	1117928268	/nfs/dbraw/zinc/92/82/68/1117928268.db2.gz	XIQGXKVCRBTUST-POHAHGRESA-N	-1	0	295.338	3.555	20	30		CHEDRM
CC(CCc1ccsc1)N=Nc1ccccc1C(=O)[O-]	ZINC000764900940	1118125464	/nfs/dbraw/zinc/12/54/64/1118125464.db2.gz	RCIUEVAAEUUKBK-UHFFFAOYSA-N	-1	0	288.372	3.867	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc(F)cc1O	ZINC001210016501	1118132005	/nfs/dbraw/zinc/13/20/05/1118132005.db2.gz	IVBNUBNNXCHUKE-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccccc1[O-]	ZINC000255160101	1118350836	/nfs/dbraw/zinc/35/08/36/1118350836.db2.gz	COAPLJZTOGDXHM-KHPPLWFESA-N	-1	0	290.322	3.678	20	30		CHEDRM
N#Cc1cc(F)c(Nc2cccc(O)c2Cl)c(F)c1	ZINC001210854499	1118408936	/nfs/dbraw/zinc/40/89/36/1118408936.db2.gz	AGQYQSOECKGITM-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782201584	1118505736	/nfs/dbraw/zinc/50/57/36/1118505736.db2.gz	VLUNYYZQWKKEQJ-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccccc1F	ZINC000255330975	1118641101	/nfs/dbraw/zinc/64/11/01/1118641101.db2.gz	URBPJJUQFDQCLI-WAYWQWQTSA-N	-1	0	278.229	3.706	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1	ZINC000255357354	1118663768	/nfs/dbraw/zinc/66/37/68/1118663768.db2.gz	ATTVRXNMHWGNNG-DAXSKMNVSA-N	-1	0	274.266	3.875	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCC1	ZINC000835009349	1118764197	/nfs/dbraw/zinc/76/41/97/1118764197.db2.gz	QZBHGNOHCRPFQO-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1ccc([O-])c(Cl)c1	ZINC000588480310	1118910745	/nfs/dbraw/zinc/91/07/45/1118910745.db2.gz	ZBUKDVLMTOHFMK-RJRFIUFISA-N	-1	0	292.693	3.786	20	30		CHEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000588480302	1118910895	/nfs/dbraw/zinc/91/08/95/1118910895.db2.gz	WEGAMYQVANLWSG-ALCCZGGFSA-N	-1	0	283.714	3.813	20	30		CHEDRM
O=C(/C=C/C=C\c1ccccc1)c1ccc([O-])c(F)c1	ZINC000728439170	1118947380	/nfs/dbraw/zinc/94/73/80/1118947380.db2.gz	WENJNJIGLUGBRR-MVTUOISNSA-N	-1	0	268.287	3.984	20	30		CHEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000617041803	1128813089	/nfs/dbraw/zinc/81/30/89/1128813089.db2.gz	JCNHDAQQHPFPRE-HZMBPMFUSA-N	-1	0	295.329	3.535	20	30		CHEDRM
O=C(/C=C\c1cc(F)cc(F)c1)c1ccc([O-])c(F)c1	ZINC000255513422	1119114652	/nfs/dbraw/zinc/11/46/52/1119114652.db2.gz	QMHPSORHHYEIJV-IWQZZHSRSA-N	-1	0	278.229	3.706	20	30		CHEDRM
N#Cc1ccccc1CNc1ccc2oc(=S)[n-]c2c1	ZINC001167635574	1119251999	/nfs/dbraw/zinc/25/19/99/1119251999.db2.gz	OKURTZMEDHRVNH-UHFFFAOYSA-N	-1	0	281.340	3.600	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccs2)c1Cl	ZINC000588558364	1119259430	/nfs/dbraw/zinc/25/94/30/1119259430.db2.gz	SUMBWNNUVMNMCB-SREVYHEPSA-N	-1	0	292.743	3.996	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nc(C2CC2)cs1	ZINC000647372452	1119700316	/nfs/dbraw/zinc/70/03/16/1119700316.db2.gz	MTXNCYPVBVMELI-QMMMGPOBSA-N	-1	0	292.747	3.757	20	30		CHEDRM
CC(C)[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179731339	1119758543	/nfs/dbraw/zinc/75/85/43/1119758543.db2.gz	IGRNMJYAFBDGLF-QGZVFWFLSA-N	-1	0	294.354	3.642	20	30		CHEDRM
COc1cccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000588480366	1120087959	/nfs/dbraw/zinc/08/79/59/1120087959.db2.gz	YEJRGKNFCUWGDO-ALCCZGGFSA-N	-1	0	288.730	3.950	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000169162907	1120104205	/nfs/dbraw/zinc/10/42/05/1120104205.db2.gz	GDUGPSUTCQAURL-UHFFFAOYSA-N	-1	0	280.324	3.599	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1	ZINC000765824090	1120108592	/nfs/dbraw/zinc/10/85/92/1120108592.db2.gz	JPWOAGPRPGIEPA-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc([O-])c(F)c1	ZINC000255564049	1120379079	/nfs/dbraw/zinc/37/90/79/1120379079.db2.gz	ZXUVSJUVXWTYLY-RJRFIUFISA-N	-1	0	292.693	3.786	20	30		CHEDRM
N#Cc1ccccc1C(=O)/C=C/c1ccc([O-])c(Cl)c1	ZINC000194586965	1120602381	/nfs/dbraw/zinc/60/23/81/1120602381.db2.gz	QVXSLNBLEUBYGA-FNORWQNLSA-N	-1	0	283.714	3.813	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](CC)c1ccccc1	ZINC000073838151	1120643503	/nfs/dbraw/zinc/64/35/03/1120643503.db2.gz	ZEXYQGPMIROHKU-AWEZNQCLSA-N	-1	0	297.420	3.655	20	30		CHEDRM
O=C(/C=C\c1cccc(O)c1)c1cc(Cl)ccc1[O-]	ZINC000199491210	1120686993	/nfs/dbraw/zinc/68/69/93/1120686993.db2.gz	BJLBUIYKSNQHQA-XQRVVYSFSA-N	-1	0	274.703	3.647	20	30		CHEDRM
N#Cc1cc(Nc2ccc3[n-]c(=S)sc3c2)ccc1N	ZINC001213438932	1120842405	/nfs/dbraw/zinc/84/24/05/1120842405.db2.gz	FUCHPOKEXTVAPY-UHFFFAOYSA-N	-1	0	298.396	3.782	20	30		CHEDRM
CCCCCCCCCC[C@H](C)OCc1nnn[n-]1	ZINC001223026563	1120895342	/nfs/dbraw/zinc/89/53/42/1120895342.db2.gz	BCVYYSKQIKPILV-ZDUSSCGKSA-N	-1	0	268.405	3.636	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([O-])c1	ZINC000218790363	1120988842	/nfs/dbraw/zinc/98/88/42/1120988842.db2.gz	GIXFNAHZTOHXJQ-SOFGYWHQSA-N	-1	0	283.283	3.505	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1	ZINC000006340589	1121072210	/nfs/dbraw/zinc/07/22/10/1121072210.db2.gz	JCVUPKUJXLTFPS-RMKNXTFCSA-N	-1	0	286.714	3.934	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174953614	1121109523	/nfs/dbraw/zinc/10/95/23/1121109523.db2.gz	IEFJRVDVGRIXQI-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)c(C#N)c(F)c1	ZINC001174987150	1121142787	/nfs/dbraw/zinc/14/27/87/1121142787.db2.gz	ZZVOMIPLNNJJJY-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C=CCC(F)(F)C(=O)NCc1ccccc1C(F)(F)F	ZINC000292761443	1121182548	/nfs/dbraw/zinc/18/25/48/1121182548.db2.gz	KIYIEDKYSMBKKP-UHFFFAOYSA-N	-1	0	293.235	3.533	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)c(F)c1	ZINC001175205947	1121209374	/nfs/dbraw/zinc/20/93/74/1121209374.db2.gz	OAEOCIOFAYULNM-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175318730	1121280274	/nfs/dbraw/zinc/28/02/74/1121280274.db2.gz	FGVFVEILYXRCAY-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1c(Nc2cccc(C(=O)[O-])c2)sc2c1CCC2	ZINC001175328758	1121285510	/nfs/dbraw/zinc/28/55/10/1121285510.db2.gz	OQLRPVGQOTUBEE-UHFFFAOYSA-N	-1	0	284.340	3.550	20	30		CHEDRM
N#Cc1c(F)c(Cl)ccc1Nc1cccc(C(=O)[O-])c1	ZINC001175334639	1121288379	/nfs/dbraw/zinc/28/83/79/1121288379.db2.gz	IEYJTOOYPZBTDY-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1	ZINC000187443583	1121399109	/nfs/dbraw/zinc/39/91/09/1121399109.db2.gz	RUPTVYFAABQPAL-NSHDSACASA-N	-1	0	274.345	3.658	20	30		CHEDRM
N#Cc1c2ccccc2sc1Nc1cncc(C(=O)[O-])c1	ZINC001175840148	1121470862	/nfs/dbraw/zinc/47/08/62/1121470862.db2.gz	HPQOFVIWVCMFEE-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nc2ccccc2o1	ZINC000073977126	1121602934	/nfs/dbraw/zinc/60/29/34/1121602934.db2.gz	FJGPMGXDQVXRRJ-QMMMGPOBSA-N	-1	0	286.674	3.564	20	30		CHEDRM
N#Cc1cc(F)c(Nc2csc(C(=O)[O-])c2)c(Cl)c1	ZINC001176441138	1121623683	/nfs/dbraw/zinc/62/36/83/1121623683.db2.gz	QVIQDXFSMJLISN-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
Cc1oc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)c1C	ZINC001176581319	1121646337	/nfs/dbraw/zinc/64/63/37/1121646337.db2.gz	LBPGIRXDJDMUFY-UHFFFAOYSA-N	-1	0	296.326	3.628	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176590736	1121649075	/nfs/dbraw/zinc/64/90/75/1121649075.db2.gz	VIPYDKKHMQDOHP-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595935	1121651171	/nfs/dbraw/zinc/65/11/71/1121651171.db2.gz	XHPNLAKWXRHCRA-FPYGCLRLSA-N	-1	0	282.274	3.539	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001176595868	1121651657	/nfs/dbraw/zinc/65/16/57/1121651657.db2.gz	QZPYAMIVEONJBD-KPKJPENVSA-N	-1	0	263.296	3.509	20	30		CHEDRM
Cc1ccccc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000730148921	1121795222	/nfs/dbraw/zinc/79/52/22/1121795222.db2.gz	PTAAVYMCJHBDKX-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
CCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000041518744	1121989481	/nfs/dbraw/zinc/98/94/81/1121989481.db2.gz	UCYFPHZELQVKDC-JTQLQIEISA-N	-1	0	276.386	3.566	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1C	ZINC000420269528	1121994144	/nfs/dbraw/zinc/99/41/44/1121994144.db2.gz	FMOLNWKSCHLARY-GFCCVEGCSA-N	-1	0	299.399	3.768	20	30		CHEDRM
N#Cc1cccc(O)c1Nc1cc(Cl)c([O-])cc1F	ZINC001250025877	1122091913	/nfs/dbraw/zinc/09/19/13/1122091913.db2.gz	GLNMRAZKIBIMPT-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
COc1cc(C)ccc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000774115117	1122125469	/nfs/dbraw/zinc/12/54/69/1122125469.db2.gz	NNRXNDPNKAMJIX-VQHVLOKHSA-N	-1	0	296.322	3.598	20	30		CHEDRM
N#Cc1cccc(Cc2cc(Cl)c([O-])cc2F)c1	ZINC001250050611	1122149083	/nfs/dbraw/zinc/14/90/83/1122149083.db2.gz	AHZFATLCBZJQEX-UHFFFAOYSA-N	-1	0	261.683	3.647	20	30		CHEDRM
CC(C)[C@H](C(=O)Nc1ccc(O)c(C#N)c1)c1ccccc1	ZINC001183577398	1122230929	/nfs/dbraw/zinc/23/09/29/1122230929.db2.gz	ZRFVFCGEYDHACM-KRWDZBQOSA-N	-1	0	294.354	3.642	20	30		CHEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccccc1C(F)F	ZINC001184245459	1122264901	/nfs/dbraw/zinc/26/49/01/1122264901.db2.gz	ROJGOROCAKHCMH-UHFFFAOYSA-N	-1	0	290.289	3.612	20	30		CHEDRM
CSc1cccc(NC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001188047835	1122450952	/nfs/dbraw/zinc/45/09/52/1122450952.db2.gz	WDZKPOUCUITNTR-UHFFFAOYSA-N	-1	0	299.355	3.630	20	30		CHEDRM
CCc1cccc(C)c1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001189978898	1122521600	/nfs/dbraw/zinc/52/16/00/1122521600.db2.gz	BMWZJYNARZTYKE-UHFFFAOYSA-N	-1	0	295.342	3.779	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436652952	1122568377	/nfs/dbraw/zinc/56/83/77/1122568377.db2.gz	RRYOMVUSCJZCTM-LLVKDONJSA-N	-1	0	275.348	3.526	20	30		CHEDRM
N#Cc1cccc(C(=O)Nc2cc3ccccc3s2)c1[O-]	ZINC001193635366	1122703115	/nfs/dbraw/zinc/70/31/15/1122703115.db2.gz	SOVBZEKOSVXDQS-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C(CC)CC)cc1	ZINC000048518786	1122709921	/nfs/dbraw/zinc/70/99/21/1122709921.db2.gz	VDHWBJWOELFQQJ-UHFFFAOYSA-N	-1	0	297.420	3.721	20	30		CHEDRM
C[C@H](Oc1cccc([S-])c1)c1ccccc1C#N	ZINC001226014443	1122745134	/nfs/dbraw/zinc/74/51/34/1122745134.db2.gz	UHQMSDQWEQJFFA-NSHDSACASA-N	-1	0	255.342	3.987	20	30		CHEDRM
N#Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)cc1	ZINC001250587559	1122788618	/nfs/dbraw/zinc/78/86/18/1122788618.db2.gz	VSQKISMJVQUJBO-UHFFFAOYSA-N	-1	0	275.666	3.716	20	30		CHEDRM
CCCc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000633898951	1129093671	/nfs/dbraw/zinc/09/36/71/1129093671.db2.gz	CHTFYRSNFCGDPQ-ZDUSSCGKSA-N	-1	0	299.399	3.598	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430617825	1123042624	/nfs/dbraw/zinc/04/26/24/1123042624.db2.gz	PGOCTAFYPJMSLT-JTQLQIEISA-N	-1	0	288.372	3.832	20	30		CHEDRM
COc1nc(C(C)C)ccc1Nc1scc([O-])c1C#N	ZINC001201436673	1123104034	/nfs/dbraw/zinc/10/40/34/1123104034.db2.gz	FIQLTAAKZCXTFI-UHFFFAOYSA-N	-1	0	289.360	3.596	20	30		CHEDRM
C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(C#N)cc1	ZINC000007333206	1123248980	/nfs/dbraw/zinc/24/89/80/1123248980.db2.gz	FZMIFUNJXKRTKM-XNFYSYIQSA-N	-1	0	293.297	3.786	20	30		CHEDRM
CC(C)[C@H](C#N)Oc1ccc(-c2ccc(=O)[nH]c2F)cc1	ZINC000854190059	1123474250	/nfs/dbraw/zinc/47/42/50/1123474250.db2.gz	UWZWTCSUDQGZRT-AWEZNQCLSA-N	-1	0	286.306	3.520	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C	ZINC000041545223	1123592301	/nfs/dbraw/zinc/59/23/01/1123592301.db2.gz	AJKGUHYOGIHLCQ-AWEZNQCLSA-N	-1	0	290.322	3.935	20	30		CHEDRM
C[C@@H]1C[C@H](C([O-])=Nc2cccc(-c3cnco3)c2)CC(=O)N1	ZINC000329433052	1123611282	/nfs/dbraw/zinc/61/12/82/1123611282.db2.gz	KZYIRWJMTPQSHP-PWSUYJOCSA-N	-1	0	299.330	3.685	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2c2ccccn2)cc1	ZINC000794856569	1124001069	/nfs/dbraw/zinc/00/10/69/1124001069.db2.gz	JFAOJYYFULTOAD-CQSZACIVSA-N	-1	0	295.342	3.515	20	30		CHEDRM
O=C([O-])c1ccc(N=NCCc2cccc(Cl)c2)cc1	ZINC000794856581	1124001242	/nfs/dbraw/zinc/00/12/42/1124001242.db2.gz	JXKIKABEFIQHSU-UHFFFAOYSA-N	-1	0	288.734	3.679	20	30		CHEDRM
Cc1ccoc1C(=O)/C=C/c1cc(C(=O)[O-])c(C)cc1C	ZINC000794941603	1124093641	/nfs/dbraw/zinc/09/36/41/1124093641.db2.gz	SDRZLZGRXBERMC-SNAWJCMRSA-N	-1	0	284.311	3.799	20	30		CHEDRM
N#Cc1nc2c(cccc2-c2ccc(C(=O)[O-])cc2F)s1	ZINC001239267900	1131309675	/nfs/dbraw/zinc/30/96/75/1131309675.db2.gz	ZULONPCDLXBRQJ-UHFFFAOYSA-N	-1	0	298.298	3.672	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1ccc(C(=O)[O-])cc1F	ZINC001239247332	1131306961	/nfs/dbraw/zinc/30/69/61/1131306961.db2.gz	RMNXOZOJCSZSJB-UHFFFAOYSA-N	-1	0	271.291	3.623	20	30		CHEDRM
N#Cc1ccc2c(c1)nccc2-c1ccc(C(=O)[O-])cc1F	ZINC001239255650	1131307994	/nfs/dbraw/zinc/30/79/94/1131307994.db2.gz	CYRXBFNFFUHTEE-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCCC1)c1ncc(F)cc1F	ZINC001123381381	1131313202	/nfs/dbraw/zinc/31/32/02/1131313202.db2.gz	ICIHQHFHIZWIKC-FMFIFOJESA-N	-1	0	290.313	3.673	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001239351945	1131321161	/nfs/dbraw/zinc/32/11/61/1131321161.db2.gz	OKFBFLKKPXAMFN-VIFPVBQESA-N	-1	0	287.265	3.957	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000210014141	1125212945	/nfs/dbraw/zinc/21/29/45/1125212945.db2.gz	HUTQWGRSAOKVSL-YFHOEESVSA-N	-1	0	268.312	3.556	20	30		CHEDRM
CCc1cnc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])s1	ZINC000783710338	1125286043	/nfs/dbraw/zinc/28/60/43/1125286043.db2.gz	GAZHKEXWWGZNOG-ARJAWSKDSA-N	-1	0	295.310	3.585	20	30		CHEDRM
CCO[C@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000849169850	1125295632	/nfs/dbraw/zinc/29/56/32/1125295632.db2.gz	HLHHQIBMZVSCDG-WAXPKUSZSA-N	-1	0	288.174	3.685	20	30		CHEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)c(C)s1	ZINC000760217695	1125303966	/nfs/dbraw/zinc/30/39/66/1125303966.db2.gz	YMZDBCPGKMTYNL-UHFFFAOYSA-N	-1	0	274.345	3.509	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1	ZINC000131165303	1125375522	/nfs/dbraw/zinc/37/55/22/1125375522.db2.gz	JBBKLFWSKWSVLS-GFUIURDCSA-N	-1	0	297.383	3.551	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])cnc1Cl	ZINC000760263934	1125422632	/nfs/dbraw/zinc/42/26/32/1125422632.db2.gz	IDARACPEXOBTMC-DUXPYHPUSA-N	-1	0	291.709	3.784	20	30		CHEDRM
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)sc1C	ZINC000041497315	1125433816	/nfs/dbraw/zinc/43/38/16/1125433816.db2.gz	MKBNTVPVMILBFC-NSHDSACASA-N	-1	0	295.367	3.731	20	30		CHEDRM
Cc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1	ZINC000187222476	1129282204	/nfs/dbraw/zinc/28/22/04/1129282204.db2.gz	NAQRHYSGGAPHJY-ZSOIEALJSA-N	-1	0	250.297	3.523	20	30		CHEDRM
C[C@H]1CC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)C1	ZINC000739426361	1129404456	/nfs/dbraw/zinc/40/44/56/1129404456.db2.gz	KMNIKXLAHOSRIV-UXZOXPIXSA-N	-1	0	276.336	3.544	20	30		CHEDRM
CCOc1cccc(C(C)=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000743525611	1129529493	/nfs/dbraw/zinc/52/94/93/1129529493.db2.gz	ILMPSZXOXQIVIY-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
Cc1ccsc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647371550	1129576271	/nfs/dbraw/zinc/57/62/71/1129576271.db2.gz	SWPVEHDNQURACK-JTQLQIEISA-N	-1	0	288.397	3.881	20	30		CHEDRM
CC1(C)CC(=O)C=C(Nc2ccc3oc(=S)[n-]c3c2)C1	ZINC001169951530	1129767573	/nfs/dbraw/zinc/76/75/73/1129767573.db2.gz	KWCCLVUFPCPNEP-UHFFFAOYSA-N	-1	0	288.372	3.801	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC1CC1	ZINC000115901604	1129842954	/nfs/dbraw/zinc/84/29/54/1129842954.db2.gz	DGNUSVCASXENAB-CQSZACIVSA-N	-1	0	294.354	3.558	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC000110989221	1129843171	/nfs/dbraw/zinc/84/31/71/1129843171.db2.gz	KNWGPOQREGHZOT-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000038709200	1129850106	/nfs/dbraw/zinc/85/01/06/1129850106.db2.gz	UERYCQKVPXFVSE-QPJJXVBHSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CC(=NNc1cccc([N+](=O)[O-])c1C)c1sccc1[O-]	ZINC000769781396	1129924879	/nfs/dbraw/zinc/92/48/79/1129924879.db2.gz	HCKUXERGERHYMI-UHFFFAOYSA-N	-1	0	291.332	3.506	20	30		CHEDRM
O=C(/C=C/c1coc2ccccc12)c1ccc(O)cc1[O-]	ZINC000746520246	1129996922	/nfs/dbraw/zinc/99/69/22/1129996922.db2.gz	MYLKMEYVHKAVBS-VMPITWQZSA-N	-1	0	280.279	3.740	20	30		CHEDRM
C=CCC[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccc1	ZINC000772243352	1130014505	/nfs/dbraw/zinc/01/45/05/1130014505.db2.gz	KIQUNKIDDYTNPN-LLVKDONJSA-N	-1	0	289.272	3.711	20	30		CHEDRM
CC(CCC(C)(C)C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000788931609	1130218186	/nfs/dbraw/zinc/21/81/86/1130218186.db2.gz	IILDDKFPDKRCQF-UHFFFAOYSA-N	-1	0	262.353	3.999	20	30		CHEDRM
CCC[C@H](C)C(CC)N=Nc1cccc(C(=O)[O-])c1	ZINC000748246035	1130224473	/nfs/dbraw/zinc/22/44/73/1130224473.db2.gz	HQEMDOAMAKFBAT-NSHDSACASA-N	-1	0	262.353	3.999	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243212092	1130318728	/nfs/dbraw/zinc/31/87/28/1130318728.db2.gz	LHXRSGNIDXQNKQ-UHFFFAOYSA-N	-1	0	267.328	3.792	20	30		CHEDRM
Cc1cccc(-c2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001240549457	1130352621	/nfs/dbraw/zinc/35/26/21/1130352621.db2.gz	JVTKCPGMKSJGJJ-CMDGGOBGSA-N	-1	0	263.296	3.632	20	30		CHEDRM
N#CCc1c(F)cccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240551366	1130353726	/nfs/dbraw/zinc/35/37/26/1130353726.db2.gz	VWGHLHGGMAHGJG-BQYQJAHWSA-N	-1	0	281.286	3.657	20	30		CHEDRM
N#Cc1ccc(-c2ccncc2)nc1-c1cc(F)ccc1[O-]	ZINC001240695620	1130422750	/nfs/dbraw/zinc/42/27/50/1130422750.db2.gz	OQCIAROTAMUTEC-UHFFFAOYSA-N	-1	0	291.285	3.527	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc([C@@H](C)C#N)cc1	ZINC001240736914	1130446670	/nfs/dbraw/zinc/44/66/70/1130446670.db2.gz	LKALQTMOROPQFN-NSHDSACASA-N	-1	0	281.311	3.687	20	30		CHEDRM
COc1cc(-c2cccc(CCC#N)c2)ccc1C(=O)[O-]	ZINC001240743333	1130450718	/nfs/dbraw/zinc/45/07/18/1130450718.db2.gz	UBCKCNHVRZVQCC-UHFFFAOYSA-N	-1	0	281.311	3.517	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000772798127	1130453396	/nfs/dbraw/zinc/45/33/96/1130453396.db2.gz	SPODTGJOLDEWKV-VMPITWQZSA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000772805951	1130468455	/nfs/dbraw/zinc/46/84/55/1130468455.db2.gz	JKMYKPQRSPUKQF-ZZXKWVIFSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])s2)n1	ZINC001240843937	1130490686	/nfs/dbraw/zinc/49/06/86/1130490686.db2.gz	KSLMNJJKOLGXOA-UHFFFAOYSA-N	-1	0	272.329	3.503	20	30		CHEDRM
N#Cc1ccc(-c2cc(F)cc(F)c2[O-])c2cc[nH]c21	ZINC001243506090	1130518982	/nfs/dbraw/zinc/51/89/82/1130518982.db2.gz	PFXFSLJIMPPMSU-UHFFFAOYSA-N	-1	0	270.238	3.690	20	30		CHEDRM
CC[C@@H](C#N)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240976390	1130546743	/nfs/dbraw/zinc/54/67/43/1130546743.db2.gz	ZREKGVMPLDXBJU-AWEZNQCLSA-N	-1	0	279.339	3.998	20	30		CHEDRM
CC[C@H](C#N)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240976393	1130546804	/nfs/dbraw/zinc/54/68/04/1130546804.db2.gz	ZREKGVMPLDXBJU-CQSZACIVSA-N	-1	0	279.339	3.998	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc(C)c(C)c(C)c1C#N	ZINC001241000952	1130558522	/nfs/dbraw/zinc/55/85/22/1130558522.db2.gz	LTWDVWSKTXYIMA-UHFFFAOYSA-N	-1	0	280.327	3.552	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccnc2cc(C#N)ccc21	ZINC001241001004	1130558753	/nfs/dbraw/zinc/55/87/53/1130558753.db2.gz	QFRFYTLAARSCDK-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(F)cc1CC#N	ZINC001241002435	1130559235	/nfs/dbraw/zinc/55/92/35/1130559235.db2.gz	BOAGLBYTFJZDOG-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
CC(=NNc1cc(C)cc(C)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758096238	1130597759	/nfs/dbraw/zinc/59/77/59/1130597759.db2.gz	REIVKFYOQWVSDD-UHFFFAOYSA-N	-1	0	299.330	3.753	20	30		CHEDRM
CC(C)[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000747736305	1130635884	/nfs/dbraw/zinc/63/58/84/1130635884.db2.gz	OGUYOUDVCLIWKZ-ZDUSSCGKSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CC1(C)CCC(=CC(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000759716649	1130671690	/nfs/dbraw/zinc/67/16/90/1130671690.db2.gz	AZRBQWKCKGYSPL-UHFFFAOYSA-N	-1	0	284.359	3.729	20	30		CHEDRM
[O-]N=Cc1ccccc1O[C@H]1CCc2c1nccc2Cl	ZINC001234821541	1130678769	/nfs/dbraw/zinc/67/87/69/1130678769.db2.gz	GSVQPVSDYMJHIU-AWEZNQCLSA-N	-1	0	288.734	3.609	20	30		CHEDRM
CCCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812445184	1130690487	/nfs/dbraw/zinc/69/04/87/1130690487.db2.gz	TYTUXVSPBCVICB-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CC(CCc1ccc(O)cc1)N=Nc1ccccc1C(=O)[O-]	ZINC000812444733	1130690627	/nfs/dbraw/zinc/69/06/27/1130690627.db2.gz	MIBOIPKATMYBSY-UHFFFAOYSA-N	-1	0	298.342	3.511	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(C)sc1C	ZINC000812444636	1130691169	/nfs/dbraw/zinc/69/11/69/1130691169.db2.gz	KLQQOCFVTMDFNU-UHFFFAOYSA-N	-1	0	288.372	3.899	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2ccc(/C=C/C(=O)[O-])cc2)[nH]1	ZINC001235457645	1130744958	/nfs/dbraw/zinc/74/49/58/1130744958.db2.gz	DXSQAJQVCGCZPL-RMKNXTFCSA-N	-1	0	288.306	3.804	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cccc(F)c2F)c1	ZINC000782208304	1130763087	/nfs/dbraw/zinc/76/30/87/1130763087.db2.gz	VXACMYMKEPFMKO-SNAWJCMRSA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=C(C=Cc1ccc2cnccc2c1)c1sccc1[O-]	ZINC000782350971	1130774552	/nfs/dbraw/zinc/77/45/52/1130774552.db2.gz	GNFKRPNYSQLFEX-RQOWECAXSA-N	-1	0	281.336	3.898	20	30		CHEDRM
Cc1c(C#N)c(-c2ccc(C(=O)[O-])cc2)nc2ccccc12	ZINC001236056162	1130842119	/nfs/dbraw/zinc/84/21/19/1130842119.db2.gz	CRCUTKDKLFRJSZ-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CCC1	ZINC001236062003	1130844313	/nfs/dbraw/zinc/84/43/13/1130844313.db2.gz	VRYJDVCEEYZVOR-UHFFFAOYSA-N	-1	0	277.323	3.997	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccsc2)c(Cl)c1	ZINC000783708248	1130849774	/nfs/dbraw/zinc/84/97/74/1130849774.db2.gz	WPXKJDAGHWTXFM-ONEGZZNKSA-N	-1	0	292.743	3.996	20	30		CHEDRM
CC(C)(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)CS1	ZINC000814680900	1130894049	/nfs/dbraw/zinc/89/40/49/1130894049.db2.gz	NJKJRZJKGYBENT-CYBMUJFWSA-N	-1	0	292.404	3.704	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(Cl)cc1	ZINC000814683936	1130895496	/nfs/dbraw/zinc/89/54/96/1130895496.db2.gz	WSRRETIHIFFIRE-UHFFFAOYSA-N	-1	0	280.755	3.773	20	30		CHEDRM
C[C@@H]1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000814688986	1130900724	/nfs/dbraw/zinc/90/07/24/1130900724.db2.gz	QYWJLDYSGFOMDW-MRVPVSSYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CCCC12CCCC2	ZINC000814768953	1130909953	/nfs/dbraw/zinc/90/99/53/1130909953.db2.gz	PZXAITMNCMNPKL-UHFFFAOYSA-N	-1	0	272.348	3.897	20	30		CHEDRM
CC(Cc1ccc(F)cc1)N=Nc1ccccc1C(=O)[O-]	ZINC000814768912	1130910269	/nfs/dbraw/zinc/91/02/69/1130910269.db2.gz	OKTFSYNJSBJDOY-UHFFFAOYSA-N	-1	0	286.306	3.554	20	30		CHEDRM
O=C([O-])c1cccc(C=NNc2ccccc2F)c1Cl	ZINC000814792403	1130912002	/nfs/dbraw/zinc/91/20/02/1130912002.db2.gz	QILLAYXGXOARKF-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
C[C@@H]1C(=NOCc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814792481	1130912031	/nfs/dbraw/zinc/91/20/31/1130912031.db2.gz	RMODEHUESXJSHP-OCCSQVGLSA-N	-1	0	289.375	3.716	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cccc(C#N)c1	ZINC000814786596	1130914847	/nfs/dbraw/zinc/91/48/47/1130914847.db2.gz	NVEGMCWSGUOYCV-UHFFFAOYSA-N	-1	0	287.363	3.771	20	30		CHEDRM
C[C@@H]1CC(N=Nc2cccc3ncccc23)CC[C@@H]1C(=O)[O-]	ZINC000814804152	1130918564	/nfs/dbraw/zinc/91/85/64/1130918564.db2.gz	BYQGWPLCNZLZPE-YPMHNXCESA-N	-1	0	297.358	3.524	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000814858745	1130928881	/nfs/dbraw/zinc/92/88/81/1130928881.db2.gz	FQDWWMXKNZJPGK-VNHYZAJKSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@@H]1C(=NOC2CCCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814910141	1130930070	/nfs/dbraw/zinc/93/00/70/1130930070.db2.gz	QYGZPMHLKKNQDF-DGCLKSJQSA-N	-1	0	281.396	3.849	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1nc2ccccc2[nH]1	ZINC000815898313	1131030774	/nfs/dbraw/zinc/03/07/74/1131030774.db2.gz	ZEPZBKLDVCYLGJ-LLVKDONJSA-N	-1	0	283.306	3.537	20	30		CHEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])C(F)=C1CCCC1	ZINC000815897962	1131031867	/nfs/dbraw/zinc/03/18/67/1131031867.db2.gz	NMUKAWADWJHXLY-LBPRGKRZSA-N	-1	0	297.333	3.547	20	30		CHEDRM
N#CCc1cc(F)cc(-c2cc([O-])c(F)c(F)c2F)c1	ZINC001245638708	1131098294	/nfs/dbraw/zinc/09/82/94/1131098294.db2.gz	DFHVJYIGULPDFD-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
O=C(C=Cc1ccc(N2CCCC2)cc1)c1sccc1[O-]	ZINC001116817022	1131165957	/nfs/dbraw/zinc/16/59/57/1131165957.db2.gz	NQKIZXWHLMXRHH-VMPITWQZSA-N	-1	0	299.395	3.950	20	30		CHEDRM
C#C[C@@H](CCC)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000790098278	1131528965	/nfs/dbraw/zinc/52/89/65/1131528965.db2.gz	FYWKIWHUIMGIAC-FSKGUYTJSA-N	-1	0	270.159	3.920	20	30		CHEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000844601381	1131583560	/nfs/dbraw/zinc/58/35/60/1131583560.db2.gz	SKEAYUGBCDMHHV-SNVBAGLBSA-N	-1	0	276.311	3.668	20	30		CHEDRM
C[C@H](Oc1cccc2nc(C#N)ccc21)C1=CC=C[CH]1	ZINC001227798787	1131743623	/nfs/dbraw/zinc/74/36/23/1131743623.db2.gz	WXABBFHUHUMBLK-LBPRGKRZSA-N	-1	0	261.304	3.574	20	30		CHEDRM
CC1=C[C@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835008274	1131753643	/nfs/dbraw/zinc/75/36/43/1131753643.db2.gz	DTPJBZIWCNNBAB-CMPLNLGQSA-N	-1	0	290.338	3.914	20	30		CHEDRM
C[C@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009942	1131753679	/nfs/dbraw/zinc/75/36/79/1131753679.db2.gz	IVSHUSCIRFIULA-QWRGUYRKSA-N	-1	0	278.327	3.748	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC23CCCC3)c(F)c1	ZINC000835012887	1131754874	/nfs/dbraw/zinc/75/48/74/1131754874.db2.gz	YWENVPYEHWNCMI-UHFFFAOYSA-N	-1	0	276.311	3.646	20	30		CHEDRM
C=CC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012835	1131754887	/nfs/dbraw/zinc/75/48/87/1131754887.db2.gz	WSVZJFGUQJRLJN-SECBINFHSA-N	-1	0	264.300	3.524	20	30		CHEDRM
CC(=O)/C=C\c1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1	ZINC001228497537	1131898402	/nfs/dbraw/zinc/89/84/02/1131898402.db2.gz	VKIHBWSFDGBYBP-DANTVBBOSA-N	-1	0	253.321	3.757	20	30		CHEDRM
O=C(C=CC=Cc1ccccc1)c1sccc1[O-]	ZINC000773143157	1131961226	/nfs/dbraw/zinc/96/12/26/1131961226.db2.gz	NIRIPJZAWCDAKU-MVTUOISNSA-N	-1	0	256.326	3.906	20	30		CHEDRM
O=C(C=Cc1cncc2ccccc12)c1sccc1[O-]	ZINC000773144123	1131961675	/nfs/dbraw/zinc/96/16/75/1131961675.db2.gz	YKYNXLCZGKXEBY-AATRIKPKSA-N	-1	0	281.336	3.898	20	30		CHEDRM
CC(C)c1ncc(C=CC(=O)c2sccc2[O-])s1	ZINC000773148025	1131963462	/nfs/dbraw/zinc/96/34/62/1131963462.db2.gz	GIQSDTOFOUEUCL-ARJAWSKDSA-N	-1	0	279.386	3.930	20	30		CHEDRM
CCCC[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228899922	1131975410	/nfs/dbraw/zinc/97/54/10/1131975410.db2.gz	BGDMJCLWIMCRDE-HNNXBMFYSA-N	-1	0	282.343	3.969	20	30		CHEDRM
CC[C@@](C)(C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000840706426	1132272065	/nfs/dbraw/zinc/27/20/65/1132272065.db2.gz	IEHCAPMEBYSQIJ-HFVKVNHUSA-N	-1	0	290.190	3.933	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCCC2(F)F)c1	ZINC000840707157	1132273609	/nfs/dbraw/zinc/27/36/09/1132273609.db2.gz	OAKIXZCALCDSIZ-SXGUVYOMSA-N	-1	0	298.289	3.545	20	30		CHEDRM
N#CCN(Cc1ccccc1)Cc1cccc(Cl)c1[O-]	ZINC001231912717	1132400580	/nfs/dbraw/zinc/40/05/80/1132400580.db2.gz	UEIXARPYNABFQH-UHFFFAOYSA-N	-1	0	286.762	3.571	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2n[n-]c(=O)cc2Cl)C1	ZINC001233587667	1132641864	/nfs/dbraw/zinc/64/18/64/1132641864.db2.gz	WOIMOASDFAGKFE-PWSUYJOCSA-N	-1	0	280.755	3.515	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H]2CC[C@H](C(C)C)CC2)c1C#N	ZINC001233919489	1132698578	/nfs/dbraw/zinc/69/85/78/1132698578.db2.gz	ZOZSJNPBFODGNQ-JOCQHMNTSA-N	-1	0	274.364	3.561	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919465	1132698625	/nfs/dbraw/zinc/69/86/25/1132698625.db2.gz	TZSCTKBPBBSXGE-CORIIIEPSA-N	-1	0	286.375	3.727	20	30		CHEDRM
C=C[C@H](CCCCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919363	1132698839	/nfs/dbraw/zinc/69/88/39/1132698839.db2.gz	KZUFWRPFXOSWBG-CYBMUJFWSA-N	-1	0	274.364	3.871	20	30		CHEDRM
C/C=C/[C@H](Oc1[n-]c(=O)cc(C)c1C#N)C1CCCCC1	ZINC001233919463	1132698896	/nfs/dbraw/zinc/69/88/96/1132698896.db2.gz	SFVCILCRLXEXLW-MIOHMZDASA-N	-1	0	286.375	3.871	20	30		CHEDRM
N#Cc1c[nH]c2c1cccc2C(=O)Nc1ccccc1[S-]	ZINC001157168255	1132724317	/nfs/dbraw/zinc/72/43/17/1132724317.db2.gz	VOCUQRAEWXYMPA-UHFFFAOYSA-N	-1	0	293.351	3.581	20	30		CHEDRM
N#Cc1cc(Nc2cccc3cnccc32)c([O-])cc1F	ZINC001174139360	1132745300	/nfs/dbraw/zinc/74/53/00/1132745300.db2.gz	JINHMXOIQNNWDI-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
Cc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001174496559	1132862456	/nfs/dbraw/zinc/86/24/56/1132862456.db2.gz	MSFQNCASDBNFAH-CMDGGOBGSA-N	-1	0	278.311	3.708	20	30		CHEDRM
C#Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1F	ZINC001174496804	1132862554	/nfs/dbraw/zinc/86/25/54/1132862554.db2.gz	UQRDHPYENUAZRU-RMKNXTFCSA-N	-1	0	281.286	3.648	20	30		CHEDRM
N#C[C@@H](Nc1cc([S-])cc([S-])c1)c1ccccc1	ZINC001161721121	1133020363	/nfs/dbraw/zinc/02/03/63/1133020363.db2.gz	KHPIIFFIJUTDBE-CQSZACIVSA-N	-1	0	272.398	3.941	20	30		CHEDRM
N#C[C@H](Nc1cc(F)ccc1[S-])c1ccccc1	ZINC001161720737	1133020561	/nfs/dbraw/zinc/02/05/61/1133020561.db2.gz	FVCLXRAOACDFPL-ZDUSSCGKSA-N	-1	0	258.321	3.791	20	30		CHEDRM
N#C[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203579734	1133341766	/nfs/dbraw/zinc/34/17/66/1133341766.db2.gz	CYHFXPKKQGMXQW-LLVKDONJSA-N	-1	0	285.174	3.577	20	30		CHEDRM
Cc1cc(F)cc(-c2ccc(F)c(C(=O)[O-])c2F)c1C#N	ZINC001205095950	1133528698	/nfs/dbraw/zinc/52/86/98/1133528698.db2.gz	SPLZUSKQFZZZOP-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3ccc(F)c(C(=O)[O-])c3F)ccc12	ZINC001205095972	1133528869	/nfs/dbraw/zinc/52/88/69/1133528869.db2.gz	UCPZYSOXLPBELP-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1ccsc1C(=O)[O-]	ZINC001205542904	1133587175	/nfs/dbraw/zinc/58/71/75/1133587175.db2.gz	XCOISZZYGREJOB-UHFFFAOYSA-N	-1	0	259.330	3.545	20	30		CHEDRM
N#CCCc1ccc(-c2ccsc2C(=O)[O-])cc1	ZINC001205572512	1133589906	/nfs/dbraw/zinc/58/99/06/1133589906.db2.gz	LBJMHSGKRACGEZ-UHFFFAOYSA-N	-1	0	257.314	3.569	20	30		CHEDRM
C=C(C)C[C@H](OCc1ccc(C(=O)[O-])cc1)C(=C)C	ZINC001205690000	1133602894	/nfs/dbraw/zinc/60/28/94/1133602894.db2.gz	KWSOUSIZXPUTJG-HNNXBMFYSA-N	-1	0	260.333	3.812	20	30		CHEDRM
N#CCc1cc2ccccc2nc1-c1cc(F)c([O-])cc1F	ZINC001206767833	1133746178	/nfs/dbraw/zinc/74/61/78/1133746178.db2.gz	KKESXEPXXINPDC-UHFFFAOYSA-N	-1	0	296.276	3.952	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccccc1CC#N	ZINC001210008469	1134121433	/nfs/dbraw/zinc/12/14/33/1134121433.db2.gz	YJWNPKWZRLAHAO-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1csc(C#N)c1	ZINC001210008043	1134121664	/nfs/dbraw/zinc/12/16/64/1134121664.db2.gz	YTTCAVJXVAEISL-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
N#Cc1ncccc1Nc1ccc(Cl)c(Cl)c1[O-]	ZINC001210148437	1134157168	/nfs/dbraw/zinc/15/71/68/1134157168.db2.gz	IQILMDZVUPEZIB-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(F)c1Cl	ZINC001210540403	1134242314	/nfs/dbraw/zinc/24/23/14/1134242314.db2.gz	DTOMJULESFQCJK-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
C[C@@H]1CC(=O)C=C(Nc2cc(Cl)ccc2[S-])C1	ZINC001210770374	1134292522	/nfs/dbraw/zinc/29/25/22/1134292522.db2.gz	LRTHMHMUODSDIC-QMMMGPOBSA-N	-1	0	267.781	3.924	20	30		CHEDRM
N#Cc1cnc(Nc2cccc([S-])c2)c(Cl)c1	ZINC001210945107	1134334561	/nfs/dbraw/zinc/33/45/61/1134334561.db2.gz	CWQAPZLHTZQLMR-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
N#Cc1c(F)cc(F)cc1Nc1cccc([S-])c1	ZINC001210948299	1134336467	/nfs/dbraw/zinc/33/64/67/1134336467.db2.gz	OJEVWRMVTVKYJN-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
N#Cc1c(F)ccc(F)c1Nc1cccc([S-])c1	ZINC001210948147	1134337140	/nfs/dbraw/zinc/33/71/40/1134337140.db2.gz	GYEYNYDQVOTKOD-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
CC(=O)c1ccc(Nc2cccc([S-])c2)c(C#N)c1	ZINC001210948590	1134337182	/nfs/dbraw/zinc/33/71/82/1134337182.db2.gz	XJFHXYQUUUSMEH-UHFFFAOYSA-N	-1	0	268.341	3.793	20	30		CHEDRM
N#CCc1ccccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213632165	1134471134	/nfs/dbraw/zinc/47/11/34/1134471134.db2.gz	YQLSDIFSCCCIGK-UHFFFAOYSA-N	-1	0	280.327	3.513	20	30		CHEDRM
C#Cc1ccccc1Nc1cc(C(=O)[O-])ccc1OCC	ZINC001214276790	1134526626	/nfs/dbraw/zinc/52/66/26/1134526626.db2.gz	XQMFTQFXHQNZRY-UHFFFAOYSA-N	-1	0	281.311	3.508	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(O)c1	ZINC001214491717	1134545011	/nfs/dbraw/zinc/54/50/11/1134545011.db2.gz	IGZZXFMVMLRGGU-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
Cc1ncc(C#N)cc1Nc1ccc(Cl)c([O-])c1F	ZINC001214795927	1134573439	/nfs/dbraw/zinc/57/34/39/1134573439.db2.gz	BSLIPPDEZKZAAV-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
N#CCc1ccc(Nc2ccc(Cl)c([O-])c2F)cc1	ZINC001214799086	1134575148	/nfs/dbraw/zinc/57/51/48/1134575148.db2.gz	LCKWCGPZPNSGML-UHFFFAOYSA-N	-1	0	276.698	3.994	20	30		CHEDRM
CNc1ccc(C#N)cc1Nc1ccc(Cl)c([O-])c1F	ZINC001214804658	1134576975	/nfs/dbraw/zinc/57/69/75/1134576975.db2.gz	VZXXKHNRZUMFAU-UHFFFAOYSA-N	-1	0	291.713	3.842	20	30		CHEDRM
CC(C)Oc1cc(Nc2scc([O-])c2C#N)ccc1F	ZINC001215498725	1134634386	/nfs/dbraw/zinc/63/43/86/1134634386.db2.gz	QWANROONLQVZGD-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
N#Cc1c(F)ccc(Nc2cc(F)c([O-])cc2F)c1F	ZINC001215573433	1134644058	/nfs/dbraw/zinc/64/40/58/1134644058.db2.gz	JPTCQESGOUHUFZ-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
N#Cc1cnoc1[N-]c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC001215581983	1134647557	/nfs/dbraw/zinc/64/75/57/1134647557.db2.gz	OBONKHVSMIGRNN-UHFFFAOYSA-N	-1	0	299.073	3.505	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001215648207	1134657148	/nfs/dbraw/zinc/65/71/48/1134657148.db2.gz	PHMGGXRAPWEIKG-UHFFFAOYSA-N	-1	0	281.290	3.635	20	30		CHEDRM
COc1c(C)cc(C)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001216000320	1134746993	/nfs/dbraw/zinc/74/69/93/1134746993.db2.gz	BPSRSNKCPLJTIO-UHFFFAOYSA-N	-1	0	286.306	3.772	20	30		CHEDRM
Cc1cc(Nc2sccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216307518	1134843726	/nfs/dbraw/zinc/84/37/26/1134843726.db2.gz	DZGHZPSLNGTADU-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
CCc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC001216316201	1134849025	/nfs/dbraw/zinc/84/90/25/1134849025.db2.gz	AZHMVKDWCJEQHA-UHFFFAOYSA-N	-1	0	266.300	3.562	20	30		CHEDRM
COc1cc(C)c(C)cc1Nc1scc([O-])c1C#N	ZINC001216373957	1134872588	/nfs/dbraw/zinc/87/25/88/1134872588.db2.gz	WRIAUYDWAMVSGM-UHFFFAOYSA-N	-1	0	274.345	3.694	20	30		CHEDRM
Cc1ccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)cc1C	ZINC001216969702	1134955037	/nfs/dbraw/zinc/95/50/37/1134955037.db2.gz	NICXROTZQAOCEV-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
N#Cc1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1[O-]	ZINC001216969376	1134955493	/nfs/dbraw/zinc/95/54/93/1134955493.db2.gz	CRCBNNWEMJWCHJ-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
N#Cc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1[O-]	ZINC001216979586	1134956395	/nfs/dbraw/zinc/95/63/95/1134956395.db2.gz	CQUJKUFEVHIRJR-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3c(F)cc(C(=O)[O-])cc3F)cc12	ZINC001222403031	1135236453	/nfs/dbraw/zinc/23/64/53/1135236453.db2.gz	JGYZLQNVWADJBB-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1-c1nc[n-]c2nc(=S)sc1-2	ZINC001222642669	1135259283	/nfs/dbraw/zinc/25/92/83/1135259283.db2.gz	MDTRHANXGAROLW-UHFFFAOYSA-N	-1	0	298.396	3.856	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222690837	1135264662	/nfs/dbraw/zinc/26/46/62/1135264662.db2.gz	WLBQAWJOGLVSSI-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
C=CC[C@@H](CCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223746329	1135378181	/nfs/dbraw/zinc/37/81/81/1135378181.db2.gz	PVAUNZDWYXIOBS-AWEZNQCLSA-N	-1	0	298.404	3.585	20	30		CHEDRM
C=C(C)C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])C(=C)C	ZINC001225493879	1135576396	/nfs/dbraw/zinc/57/63/96/1135576396.db2.gz	HFUKBNARKPWLSL-ZDUSSCGKSA-N	-1	0	263.293	3.590	20	30		CHEDRM
N#C[C@@H](Oc1ccccc1[S-])c1cccc(F)c1	ZINC001225588568	1135591491	/nfs/dbraw/zinc/59/14/91/1135591491.db2.gz	TVONGNOBBNABED-CYBMUJFWSA-N	-1	0	259.305	3.758	20	30		CHEDRM
CCCC[C@@H](CCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008865	1135651723	/nfs/dbraw/zinc/65/17/23/1135651723.db2.gz	NAUKMTFSRICGTK-LLVKDONJSA-N	-1	0	266.316	3.536	20	30		CHEDRM
CCCCCC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013708	1135652481	/nfs/dbraw/zinc/65/24/81/1135652481.db2.gz	QTEMNELTTPLHPP-JTQLQIEISA-N	-1	0	266.316	3.536	20	30		CHEDRM
C=C(C)n1c2ccccc2nc1O[C@@H](C)C1=CC=C[CH]1	ZINC001226219769	1135673778	/nfs/dbraw/zinc/67/37/78/1135673778.db2.gz	ZHEWJFLWNMMDHB-ZDUSSCGKSA-N	-1	0	265.336	3.995	20	30		CHEDRM
C=CC[C@@H](Oc1cnc[nH]c1=O)c1ccc(Cl)cc1	ZINC001227052044	1135778428	/nfs/dbraw/zinc/77/84/28/1135778428.db2.gz	UKORZNIHXLUAOU-GFCCVEGCSA-N	-1	0	276.723	3.532	20	30		CHEDRM
N#CC1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCCCC1	ZINC000286895706	263100127	/nfs/dbraw/zinc/10/01/27/263100127.db2.gz	MLIGVKQVHWEKFP-UHFFFAOYSA-N	-1	0	296.729	3.597	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc2ccccc2o1	ZINC000357192421	266262999	/nfs/dbraw/zinc/26/29/99/266262999.db2.gz	RTUGXSAUJIWXKA-VURMDHGXSA-N	-1	0	290.278	3.568	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1F	ZINC000171482368	329076433	/nfs/dbraw/zinc/07/64/33/329076433.db2.gz	HJNSHSWEGMRXMD-GFCCVEGCSA-N	-1	0	294.285	3.765	20	30		CHEDRM
CCc1oc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C	ZINC000177852086	329193178	/nfs/dbraw/zinc/19/31/78/329193178.db2.gz	VQBYBHAKKIMVBB-LLVKDONJSA-N	-1	0	294.310	3.782	20	30		CHEDRM
CCc1oc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C	ZINC000177852097	329193207	/nfs/dbraw/zinc/19/32/07/329193207.db2.gz	VQBYBHAKKIMVBB-NSHDSACASA-N	-1	0	294.310	3.782	20	30		CHEDRM
C=CC[C@@H](C)[C@H](C)Nc1cccc(CCC(=O)[O-])c1	ZINC000263514871	330058639	/nfs/dbraw/zinc/05/86/39/330058639.db2.gz	OJDPAJMJWMPBIG-OLZOCXBDSA-N	-1	0	261.365	3.716	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)co1	ZINC000430604456	330569527	/nfs/dbraw/zinc/56/95/27/330569527.db2.gz	NGLNQPTWHFPFQH-LLVKDONJSA-N	-1	0	288.372	3.832	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2cccc3ccsc32)cc1[O-]	ZINC000443059049	330793355	/nfs/dbraw/zinc/79/33/55/330793355.db2.gz	AZIVWYOMTKKCJX-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000443108877	330795297	/nfs/dbraw/zinc/79/52/97/330795297.db2.gz	KFBGMERKHKWEPY-CYBMUJFWSA-N	-1	0	271.719	3.726	20	30		CHEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000177947117	333065916	/nfs/dbraw/zinc/06/59/16/333065916.db2.gz	PRAOGOAJVRVIPP-GFCCVEGCSA-N	-1	0	294.310	3.782	20	30		CHEDRM
C=C(CC)CSc1n[n-]c(=NCc2ccccc2)s1	ZINC000540216881	333721544	/nfs/dbraw/zinc/72/15/44/333721544.db2.gz	VYZNTQUXJDXZRP-UHFFFAOYSA-N	-1	0	291.445	3.630	20	30		CHEDRM
N#Cc1c(F)cccc1SCc1cccc(C(=O)[O-])c1	ZINC000739092671	599705769	/nfs/dbraw/zinc/70/57/69/599705769.db2.gz	HKLHLFLZMHPRRD-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
C=CCOc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000825698489	600808335	/nfs/dbraw/zinc/80/83/35/600808335.db2.gz	IQWOHQIMIPAGES-UHFFFAOYSA-N	-1	0	284.311	3.529	20	30		CHEDRM
Cc1ccccc1S[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738785298	600937417	/nfs/dbraw/zinc/93/74/17/600937417.db2.gz	NWGSSYBFGNLKGN-HNNXBMFYSA-N	-1	0	283.352	3.785	20	30		CHEDRM
CSc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832789593	601297639	/nfs/dbraw/zinc/29/76/39/601297639.db2.gz	AACPFHUVOOFECO-HNNXBMFYSA-N	-1	0	298.367	3.518	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2cc(Cl)ccc2Cl)o1	ZINC000833312134	601366095	/nfs/dbraw/zinc/36/60/95/601366095.db2.gz	KFEPXPXPFYRTDR-UHFFFAOYSA-N	-1	0	299.113	3.731	20	30		CHEDRM
Cc1sc(C(=O)[O-])cc1CON=Cc1ccc(C)cc1	ZINC000832930650	601629838	/nfs/dbraw/zinc/62/98/38/601629838.db2.gz	YXSCQWSWTJSRHB-UHFFFAOYSA-N	-1	0	289.356	3.614	20	30		CHEDRM
Cc1sc(C(=O)[O-])cc1COc1ccc(C#N)cc1C	ZINC000832859341	601634317	/nfs/dbraw/zinc/63/43/17/601634317.db2.gz	PAQWBDMWSJGITD-UHFFFAOYSA-N	-1	0	287.340	3.514	20	30		CHEDRM
O=C([O-])N1CCc2cccc(/C=C\C(=O)c3ccccc3)c21	ZINC000831292962	603812951	/nfs/dbraw/zinc/81/29/51/603812951.db2.gz	UNYFTCIOYLISJT-KTKRTIGZSA-N	-1	0	293.322	3.623	20	30		CHEDRM
CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000830063648	604627069	/nfs/dbraw/zinc/62/70/69/604627069.db2.gz	GFBUIFDICSZICE-LFYBBSHMSA-N	-1	0	296.322	3.680	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1	ZINC000833309529	604628091	/nfs/dbraw/zinc/62/80/91/604628091.db2.gz	AEWKARJMDKIVLI-YVMONPNESA-N	-1	0	288.249	3.559	20	30		CHEDRM
C=C(CC)CSCc1ccc(C(=O)[O-])c(F)c1	ZINC000833370068	605008287	/nfs/dbraw/zinc/00/82/87/605008287.db2.gz	JNZZJZADPPIHPO-UHFFFAOYSA-N	-1	0	254.326	3.723	20	30		CHEDRM
C[C@@H]1C[C@H]1c1ccc(C=NNc2ccccc2C(=O)[O-])o1	ZINC000812446215	605098672	/nfs/dbraw/zinc/09/86/72/605098672.db2.gz	SFLYTVXMWAJFIH-ZWNOBZJWSA-N	-1	0	284.315	3.547	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(F)cc1Cl	ZINC000767762118	605098906	/nfs/dbraw/zinc/09/89/06/605098906.db2.gz	FRGSNOKMWUIDHT-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
Cc1ccoc1C(=O)/C=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000830616315	605172361	/nfs/dbraw/zinc/17/23/61/605172361.db2.gz	MEGJNBDMLQCCRR-WAYWQWQTSA-N	-1	0	297.310	3.525	20	30		CHEDRM
C[C@@H](CN=Nc1ccccc1C(=O)[O-])Cc1ccccc1	ZINC000783817738	605328625	/nfs/dbraw/zinc/32/86/25/605328625.db2.gz	YAWKXANJWAKKIA-CYBMUJFWSA-N	-1	0	282.343	3.661	20	30		CHEDRM
C#CCCCCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000833361992	605577498	/nfs/dbraw/zinc/57/74/98/605577498.db2.gz	VHJPYAOWAJWURT-UHFFFAOYSA-N	-1	0	294.734	3.527	20	30		CHEDRM
C#CCCCCCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1	ZINC000833362108	605679230	/nfs/dbraw/zinc/67/92/30/605679230.db2.gz	ZMMNHALBYZQOTE-ZDUSSCGKSA-N	-1	0	288.343	3.573	20	30		CHEDRM
C=C(Cl)CSCc1cc(C(=O)[O-])ccc1F	ZINC000833371171	605788157	/nfs/dbraw/zinc/78/81/57/605788157.db2.gz	YMYPYNAEWNHKNZ-UHFFFAOYSA-N	-1	0	260.717	3.510	20	30		CHEDRM
N#CCCCCSCc1cccc(NC(=O)[O-])c1	ZINC000833969092	606010442	/nfs/dbraw/zinc/01/04/42/606010442.db2.gz	QNKZHBOYVLWZHY-UHFFFAOYSA-N	-1	0	264.350	3.704	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001589644911	949716256	/nfs/dbraw/zinc/71/62/56/949716256.db2.gz	FSWPHEDHIJUBND-LSDHHAIUSA-N	-1	0	297.439	3.696	20	30		CHEDRM
N#Cc1ccccc1CSCc1ccccc1C(=O)[O-]	ZINC000058238775	957557111	/nfs/dbraw/zinc/55/71/11/957557111.db2.gz	AAQOZURBVHOYSQ-UHFFFAOYSA-N	-1	0	283.352	3.690	20	30		CHEDRM
CCCCCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000059218846	957561199	/nfs/dbraw/zinc/56/11/99/957561199.db2.gz	RGXBVJLMLQXLIN-INIZCTEOSA-N	-1	0	291.391	3.679	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000103357310	958360000	/nfs/dbraw/zinc/36/00/00/958360000.db2.gz	DCWQTRRPOVTHNC-HNNXBMFYSA-N	-1	0	297.439	3.983	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/CCc3sccc3C2=O)c1	ZINC000126421416	958591071	/nfs/dbraw/zinc/59/10/71/958591071.db2.gz	LROBWABLLPMSTR-FLIBITNWSA-N	-1	0	284.336	3.659	20	30		CHEDRM
CC1(C)CCC/C(=C/c2cccc(C(=O)[O-])c2)C1=O	ZINC000126470527	958595512	/nfs/dbraw/zinc/59/55/12/958595512.db2.gz	KKAFSWPSAJWTCT-XFXZXTDPSA-N	-1	0	258.317	3.547	20	30		CHEDRM
CCCCCCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000221243298	959805258	/nfs/dbraw/zinc/80/52/58/959805258.db2.gz	AKXDJFXEMVBEFU-KKUMJFAQSA-N	-1	0	295.423	3.591	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1ccccc1C(=O)[O-]	ZINC000729635195	1125473559	/nfs/dbraw/zinc/47/35/59/1125473559.db2.gz	HITOZXGBRJJAQV-UHFFFAOYSA-N	-1	0	280.393	3.704	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001573841245	961076803	/nfs/dbraw/zinc/07/68/03/961076803.db2.gz	RMDTTYSUVRFQHT-CABCVRRESA-N	-1	0	297.439	3.696	20	30		CHEDRM
C#Cc1ccc(CNc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC001573313278	962728777	/nfs/dbraw/zinc/72/87/77/962728777.db2.gz	FVQWAUKPJGJXFL-UHFFFAOYSA-N	-1	0	285.730	3.632	20	30		CHEDRM
C=C(C)CCC(=O)Nc1cccc2cc(C(=O)[O-])sc21	ZINC001573324633	962788587	/nfs/dbraw/zinc/78/85/87/962788587.db2.gz	WERVJXRWKVBVMF-UHFFFAOYSA-N	-1	0	289.356	3.894	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC001573348448	962959267	/nfs/dbraw/zinc/95/92/67/962959267.db2.gz	XDPUUHKTMBHSSU-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=CC1(CC(=O)N[C@@H](CCCCC)C(=O)[O-])CCCCC1	ZINC001573351466	962978124	/nfs/dbraw/zinc/97/81/24/962978124.db2.gz	UHRHHOXYKONSSB-AWEZNQCLSA-N	-1	0	295.423	3.663	20	30		CHEDRM
C=CC[C@H](Sc1nc2ccc(F)cc2s1)C(=O)[O-]	ZINC001573352829	962993396	/nfs/dbraw/zinc/99/33/96/962993396.db2.gz	KUUVSZRNRUGTCF-VIFPVBQESA-N	-1	0	283.349	3.557	20	30		CHEDRM
C=CCCCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1	ZINC001573357341	963014873	/nfs/dbraw/zinc/01/48/73/963014873.db2.gz	LQZLOADOMOOYOH-OAHLLOKOSA-N	-1	0	295.423	3.663	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1	ZINC001591943134	976475620	/nfs/dbraw/zinc/47/56/20/976475620.db2.gz	DSUKBQCFIUPKAR-BQYQJAHWSA-N	-1	0	284.311	3.997	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1	ZINC001591943658	976482232	/nfs/dbraw/zinc/48/22/32/976482232.db2.gz	OTFIKDDROGCMOS-FPLPWBNLSA-N	-1	0	284.311	3.997	20	30		CHEDRM
CC(CCc1ccco1)N=Nc1cccc(C(=O)[O-])c1F	ZINC001592551996	978435687	/nfs/dbraw/zinc/43/56/87/978435687.db2.gz	HYAZWJWCPXHESV-UHFFFAOYSA-N	-1	0	290.294	3.538	20	30		CHEDRM
C[C@@H](CCN=Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000755602225	978696676	/nfs/dbraw/zinc/69/66/76/978696676.db2.gz	UKGSQHLVKVVFLR-ZDUSSCGKSA-N	-1	0	282.343	3.976	20	30		CHEDRM
O=C([O-])c1ccc(N=NCCCC2CCCCC2)nc1	ZINC000761827707	978715355	/nfs/dbraw/zinc/71/53/55/978715355.db2.gz	HVCRHUIJLFTJDP-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccc(F)cc2Cl)c1	ZINC000767742802	978737062	/nfs/dbraw/zinc/73/70/62/978737062.db2.gz	FARDBLJPYDFQCC-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\CCc3sccc3C2=O)c1	ZINC000774138667	978746821	/nfs/dbraw/zinc/74/68/21/978746821.db2.gz	LROBWABLLPMSTR-DHZHZOJOSA-N	-1	0	284.336	3.659	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2cc3ccccc3o2)c1	ZINC000812374913	978868919	/nfs/dbraw/zinc/86/89/19/978868919.db2.gz	OKYIAWHVZAUSSL-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc3ccccc3n2)CC[C@H]1CC(=O)[O-]	ZINC000814697719	978873407	/nfs/dbraw/zinc/87/34/07/978873407.db2.gz	ZLVGIHXYYNASBN-YPMHNXCESA-N	-1	0	297.358	3.524	20	30		CHEDRM
CC(C)(C#N)CCSCc1ccc(C(=O)[O-])cc1	ZINC000826071964	978944269	/nfs/dbraw/zinc/94/42/69/978944269.db2.gz	QEBXJTOHACSYNL-UHFFFAOYSA-N	-1	0	263.362	3.558	20	30		CHEDRM
CC(C)(CCC#N)CNc1ccc(NC(=O)[O-])c(F)c1	ZINC000833457292	979188204	/nfs/dbraw/zinc/18/82/04/979188204.db2.gz	MZGUXASSFCLNIY-UHFFFAOYSA-N	-1	0	279.315	3.657	20	30		CHEDRM
C=CCCC(CCC)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414348	979467086	/nfs/dbraw/zinc/46/70/86/979467086.db2.gz	MNAUKQNWOBPHQN-UHFFFAOYSA-N	-1	0	274.364	3.848	20	30		CHEDRM
C[C@H]1C(N=Nc2cc(F)cc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000853395771	979606132	/nfs/dbraw/zinc/60/61/32/979606132.db2.gz	KKZQHXFEQRLFDB-BDAKNGLRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(F)c2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000863158403	979659361	/nfs/dbraw/zinc/65/93/61/979659361.db2.gz	AAPVYADBNXDMCN-DTWKUNHWSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CCCC(=NNc1cccc(C(=O)[O-])c1C)c1cccnc1	ZINC001595522528	981344862	/nfs/dbraw/zinc/34/48/62/981344862.db2.gz	SNNJJYZYVLTITN-UHFFFAOYSA-N	-1	0	297.358	3.705	20	30		CHEDRM
C=C1CCC(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1	ZINC000910296139	981849129	/nfs/dbraw/zinc/84/91/29/981849129.db2.gz	KOBRNNCGOHEDPE-JKSUJKDBSA-N	-1	0	299.370	3.560	20	30		CHEDRM
CCCCCCCNC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001595704405	982274031	/nfs/dbraw/zinc/27/40/31/982274031.db2.gz	LAAPRNIFKWIQMT-UHFFFAOYSA-N	-1	0	296.342	3.616	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001595705437	982285534	/nfs/dbraw/zinc/28/55/34/982285534.db2.gz	ZTEQBAALLWIXQL-UHFFFAOYSA-N	-1	0	277.364	3.992	20	30		CHEDRM
CC[C@H](C)[C@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001594929493	982548310	/nfs/dbraw/zinc/54/83/10/982548310.db2.gz	SPIOSWBDWBWSTL-UFBFGSQYSA-N	-1	0	283.780	3.803	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1	ZINC001596058417	983365542	/nfs/dbraw/zinc/36/55/42/983365542.db2.gz	KUYNIVGRQPYCOI-HJWRWDBZSA-N	-1	0	284.311	3.826	20	30		CHEDRM
C=C(CC)CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588607325	983700563	/nfs/dbraw/zinc/70/05/63/983700563.db2.gz	ZILDKAJZYLOVOJ-UHFFFAOYSA-N	-1	0	298.342	3.626	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588691343	983880139	/nfs/dbraw/zinc/88/01/39/983880139.db2.gz	YNNLWADXYZVMTR-SECBINFHSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@H](OC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1	ZINC001588711881	983940468	/nfs/dbraw/zinc/94/04/68/983940468.db2.gz	FGCHLCPLWVFFNM-INIZCTEOSA-N	-1	0	296.322	3.777	20	30		CHEDRM
C=C[C@@H](S[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001588715351	983954937	/nfs/dbraw/zinc/95/49/37/983954937.db2.gz	WNPSAFDDIXKKQK-GZMMTYOYSA-N	-1	0	256.754	3.773	20	30		CHEDRM
C=CC[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001588731225	984007207	/nfs/dbraw/zinc/00/72/07/984007207.db2.gz	FPYHCWUMOSAAKU-INIZCTEOSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C=CC[C@H](Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-]	ZINC001588751051	984075430	/nfs/dbraw/zinc/07/54/30/984075430.db2.gz	JXELIADQQDACIH-ZDUSSCGKSA-N	-1	0	288.372	3.560	20	30		CHEDRM
C=CC[C@@H](Sc1nc2cc(F)ccc2s1)C(=O)[O-]	ZINC001588758753	984107373	/nfs/dbraw/zinc/10/73/73/984107373.db2.gz	JIIOASWRZFERDM-SNVBAGLBSA-N	-1	0	283.349	3.557	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCC1	ZINC001588764704	984122762	/nfs/dbraw/zinc/12/27/62/984122762.db2.gz	GSCAVFGIYBDILZ-UHFFFAOYSA-N	-1	0	291.322	3.599	20	30		CHEDRM
C=CCCCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)F	ZINC001588783042	984175941	/nfs/dbraw/zinc/17/59/41/984175941.db2.gz	VCPPTUWHILPDGS-CYBMUJFWSA-N	-1	0	298.285	3.591	20	30		CHEDRM
C=CCCC[C@H](Nc1cc(C(=O)[O-])ncn1)c1ccccc1	ZINC001588798641	984237806	/nfs/dbraw/zinc/23/78/06/984237806.db2.gz	MMUGGLLDENLEKG-AWEZNQCLSA-N	-1	0	297.358	3.684	20	30		CHEDRM
C[C@]1(CN=Nc2ccc(C(=O)[O-])c(Cl)c2)CCCS1	ZINC001593996550	997308623	/nfs/dbraw/zinc/30/86/23/997308623.db2.gz	YQLFZNIPGBMNMK-CYBMUJFWSA-N	-1	0	298.795	3.722	20	30		CHEDRM
Cc1ccc(C)c(Nc2csc(C(=O)[O-])c2)c1C#N	ZINC001176440195	1121623563	/nfs/dbraw/zinc/62/35/63/1121623563.db2.gz	GVGDPPXAEQSXCR-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1ccno1	ZINC001201834860	1123153772	/nfs/dbraw/zinc/15/37/72/1123153772.db2.gz	YQGQBGNVWMFRNX-UHFFFAOYSA-N	-1	0	288.413	3.557	20	30		CHEDRM
C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccc([S-])cc1	ZINC001225555251	1135586878	/nfs/dbraw/zinc/58/68/78/1135586878.db2.gz	KNWAOIOLTZWAQK-LLVKDONJSA-N	-1	0	280.389	3.641	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1	ZINC001211964980	1125530407	/nfs/dbraw/zinc/53/04/07/1125530407.db2.gz	IIDOXEDQKBLGDV-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1	ZINC001211967004	1125536703	/nfs/dbraw/zinc/53/67/03/1125536703.db2.gz	RHNIZZGXRRGWAF-UHFFFAOYSA-N	-1	0	271.703	3.763	20	30		CHEDRM
COC[C@H]1C[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000887270529	1125781139	/nfs/dbraw/zinc/78/11/39/1125781139.db2.gz	PCPPKVVNURHIJA-FIOUMAPRSA-N	-1	0	288.174	3.543	20	30		CHEDRM
CCC(CC)NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000758111201	1130598775	/nfs/dbraw/zinc/59/87/75/1130598775.db2.gz	SKBHQZUBMHXJLL-UHFFFAOYSA-N	-1	0	275.179	3.811	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCOCC1	ZINC000182699243	1126876911	/nfs/dbraw/zinc/87/69/11/1126876911.db2.gz	LDUOVOXBVXLTLN-AXLKIAQESA-N	-1	0	288.174	3.687	20	30		CHEDRM
CC#CCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000184987453	1126898001	/nfs/dbraw/zinc/89/80/01/1126898001.db2.gz	DCPBWZCXALYGIA-UHFFFAOYSA-N	-1	0	286.158	3.831	20	30		CHEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC1CCCCC1)CCC2	ZINC000777457392	1126939006	/nfs/dbraw/zinc/93/90/06/1126939006.db2.gz	SMRYSNVTAAAVBV-UHFFFAOYSA-N	-1	0	291.347	3.676	20	30		CHEDRM
C=CCCC(CCC)N=Nc1ccccc1C(=O)[O-]	ZINC000814768118	1130908516	/nfs/dbraw/zinc/90/85/16/1130908516.db2.gz	JALNISTWYVZYPE-UHFFFAOYSA-N	-1	0	260.337	3.919	20	30		CHEDRM
N#CC1(c2cccc(-c3cccc(C(=O)[O-])c3)c2)CC1	ZINC000574281349	1127382318	/nfs/dbraw/zinc/38/23/18/1127382318.db2.gz	YWLVFKSHEGVOTQ-UHFFFAOYSA-N	-1	0	263.296	3.607	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)cc1	ZINC000046927387	1127468045	/nfs/dbraw/zinc/46/80/45/1127468045.db2.gz	ZTVZRSMYDSXCIQ-UHFFFAOYSA-N	-1	0	295.404	3.611	20	30		CHEDRM
CC(C)=CCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000596259892	1127488405	/nfs/dbraw/zinc/48/84/05/1127488405.db2.gz	CWSOPDARUXRJDN-UHFFFAOYSA-N	-1	0	275.396	3.699	20	30		CHEDRM
N#CC1(CC(=O)Nc2cccc(Cl)c2[O-])CCCCC1	ZINC000597440479	1127546148	/nfs/dbraw/zinc/54/61/48/1127546148.db2.gz	APUHJEABGUZBLL-UHFFFAOYSA-N	-1	0	292.766	3.848	20	30		CHEDRM
C=CCCCSc1n[n-]c(=NC2CCCCC2)s1	ZINC000605076226	1127728057	/nfs/dbraw/zinc/72/80/57/1127728057.db2.gz	QVXBUZXLRZMZKI-UHFFFAOYSA-N	-1	0	283.466	3.763	20	30		CHEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1F	ZINC000176404501	1128082139	/nfs/dbraw/zinc/08/21/39/1128082139.db2.gz	WISBIOUJXSQBAO-LLVKDONJSA-N	-1	0	298.317	3.535	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3ccc(F)c(C(=O)[O-])c3F)cc12	ZINC001205095944	1128134301	/nfs/dbraw/zinc/13/43/01/1128134301.db2.gz	SMEWFQTYYYJOHK-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001205115105	1128226561	/nfs/dbraw/zinc/22/65/61/1128226561.db2.gz	MOAGMOPRKMVGAO-QGMBQPNBSA-N	-1	0	291.253	3.528	20	30		CHEDRM
Cc1ccsc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916260252	1128413160	/nfs/dbraw/zinc/41/31/60/1128413160.db2.gz	ZPDPJUGYXUCCPX-UHFFFAOYSA-N	-1	0	294.763	3.854	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CCC2	ZINC000916255246	1128412164	/nfs/dbraw/zinc/41/21/64/1128412164.db2.gz	MDFGRVYNNOAAQD-UHFFFAOYSA-N	-1	0	294.354	3.710	20	30		CHEDRM
Cc1cc(C)c(C=NNc2ccc(C(=O)[O-])cc2)cc1C	ZINC000916240461	1128412286	/nfs/dbraw/zinc/41/22/86/1128412286.db2.gz	CSDAQYIHDLPWFW-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2cccc3ccccc23)cc1	ZINC000916240949	1128412461	/nfs/dbraw/zinc/41/24/61/1128412461.db2.gz	XWOMVPSFGVIADA-UHFFFAOYSA-N	-1	0	290.322	3.984	20	30		CHEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccs1)CC2	ZINC000041575029	1128548523	/nfs/dbraw/zinc/54/85/23/1128548523.db2.gz	UUKVZDMASVILGR-CLFYSBASSA-N	-1	0	288.324	3.560	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1c(O)cccc1Cl	ZINC001123891784	1128603878	/nfs/dbraw/zinc/60/38/78/1128603878.db2.gz	LXYWZFZENYWASD-UHFFFAOYSA-N	-1	0	253.729	3.586	20	30		CHEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000048427108	1128709795	/nfs/dbraw/zinc/70/97/95/1128709795.db2.gz	BLLXVNMKMYIERB-SNVBAGLBSA-N	-1	0	289.422	3.610	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C3(C#N)CC3)cc2)c([O-])cc1F	ZINC001212260018	1128716590	/nfs/dbraw/zinc/71/65/90/1128716590.db2.gz	HBUISQDWHLPALY-UHFFFAOYSA-N	-1	0	293.301	3.702	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cccs1	ZINC000175315574	1128723506	/nfs/dbraw/zinc/72/35/06/1128723506.db2.gz	AQRLZOJYQDEKHI-ONEGZZNKSA-N	-1	0	266.268	3.628	20	30		CHEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc(F)cc2F)c1	ZINC000806559805	1117963932	/nfs/dbraw/zinc/96/39/32/1117963932.db2.gz	FSLHJFCYUTXPTP-FNORWQNLSA-N	-1	0	288.249	3.559	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C[C@H]1CCCOC1	ZINC000255037025	1118004626	/nfs/dbraw/zinc/00/46/26/1118004626.db2.gz	QLAOWSRSUJMFAC-UIKYOSCFSA-N	-1	0	288.174	3.545	20	30		CHEDRM
C=CC[C@H]1N(C(=O)c2ccc(O)c(F)c2)CCCC1(C)C	ZINC000683517643	1118168053	/nfs/dbraw/zinc/16/80/53/1118168053.db2.gz	OFNYWVVJWQCFNT-OAHLLOKOSA-N	-1	0	291.366	3.738	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000213705389	1118188890	/nfs/dbraw/zinc/18/88/90/1118188890.db2.gz	UERYCQKVPXFVSE-DAXSKMNVSA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c(C)c1	ZINC000748149479	1118384169	/nfs/dbraw/zinc/38/41/69/1118384169.db2.gz	ZKUNGOGYTLVRIN-VMPITWQZSA-N	-1	0	297.310	3.813	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CC1CCOCC1	ZINC000255202476	1118444395	/nfs/dbraw/zinc/44/43/95/1118444395.db2.gz	NGNPRMOXGQXFRD-PXNMLYILSA-N	-1	0	288.174	3.545	20	30		CHEDRM
CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000076755535	1128787600	/nfs/dbraw/zinc/78/76/00/1128787600.db2.gz	HWMLAWOYTUYOAY-ZDUSSCGKSA-N	-1	0	297.420	3.938	20	30		CHEDRM
CC(=NOC(C)C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000835003070	1118755689	/nfs/dbraw/zinc/75/56/89/1118755689.db2.gz	VRWHFXJWBCDOSJ-UHFFFAOYSA-N	-1	0	289.331	3.517	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728439020	1118947002	/nfs/dbraw/zinc/94/70/02/1118947002.db2.gz	UKOMZIYBWOXONU-VQHVLOKHSA-N	-1	0	270.303	3.990	20	30		CHEDRM
O=C(/C=C\c1ccc2ncccc2c1)c1ccc([O-])c(F)c1	ZINC000728438489	1118948401	/nfs/dbraw/zinc/94/84/01/1118948401.db2.gz	GIGZLIPJCMCQTQ-DAXSKMNVSA-N	-1	0	293.297	3.976	20	30		CHEDRM
O=C(/C=C/c1ccc2ncccc2c1)c1ccc([O-])c(F)c1	ZINC000728438490	1118948525	/nfs/dbraw/zinc/94/85/25/1118948525.db2.gz	GIGZLIPJCMCQTQ-QPJJXVBHSA-N	-1	0	293.297	3.976	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)ccc2C)cc(C(=O)[O-])c1	ZINC001211545331	1119081848	/nfs/dbraw/zinc/08/18/48/1119081848.db2.gz	XKUOMMCLXPXKGT-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(Nc2ccc(C)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001211545358	1119083257	/nfs/dbraw/zinc/08/32/57/1119083257.db2.gz	YECMITJVVZVWMK-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
CC(=O)c1ccc(Nc2cc(C)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001211547499	1119102154	/nfs/dbraw/zinc/10/21/54/1119102154.db2.gz	RAPWJXDKGPTKHH-UHFFFAOYSA-N	-1	0	294.310	3.511	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/Cc3ccccc3C2=O)c1Cl	ZINC000588558379	1119259762	/nfs/dbraw/zinc/25/97/62/1119259762.db2.gz	VXBYJUXZSWSJLU-XFXZXTDPSA-N	-1	0	298.725	3.861	20	30		CHEDRM
Cc1ccc(Nc2onc(C(C)(C)C)c2C#N)cc1C(=O)[O-]	ZINC001211596985	1119410005	/nfs/dbraw/zinc/41/00/05/1119410005.db2.gz	QDVJEAPLEVSBOZ-UHFFFAOYSA-N	-1	0	299.330	3.594	20	30		CHEDRM
Cc1ccc(Nc2ccccc2CC#N)cc1C(=O)[O-]	ZINC001211605959	1119451164	/nfs/dbraw/zinc/45/11/64/1119451164.db2.gz	DJNVKALNMGLWIU-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1ccc(Nc2c(F)ccc(F)c2C#N)cc1C(=O)[O-]	ZINC001211608225	1119464606	/nfs/dbraw/zinc/46/46/06/1119464606.db2.gz	NQXPKVGOADGBEQ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1c2ccccc2oc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176815457	1119493749	/nfs/dbraw/zinc/49/37/49/1119493749.db2.gz	ORNJGAKHXFBYFM-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
O=C(C=Cc1nccn1-c1ccccc1)c1sccc1[O-]	ZINC000588599264	1119529252	/nfs/dbraw/zinc/52/92/52/1119529252.db2.gz	VOLQWFZUCAZWIH-SREVYHEPSA-N	-1	0	296.351	3.536	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1C1CC1)c1nc(C2CC2)cs1	ZINC000647379339	1119712515	/nfs/dbraw/zinc/71/25/15/1119712515.db2.gz	AKIKDDMMOVIQCO-GFCCVEGCSA-N	-1	0	298.367	3.981	20	30		CHEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000617781550	1128869649	/nfs/dbraw/zinc/86/96/49/1128869649.db2.gz	PHIYTBYMQWNOEW-SNVBAGLBSA-N	-1	0	297.757	3.613	20	30		CHEDRM
O=C(C=Cc1ccc(O)c(Cl)c1)c1sccc1[O-]	ZINC000588495730	1120089361	/nfs/dbraw/zinc/08/93/61/1120089361.db2.gz	BTWDTJSJIRBHLD-RQOWECAXSA-N	-1	0	280.732	3.709	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CCC)c1cccc(Cl)c1	ZINC001300212169	1120136001	/nfs/dbraw/zinc/13/60/01/1120136001.db2.gz	CQAJOUXXZAHODP-RISCZKNCSA-N	-1	0	281.783	3.846	20	30		CHEDRM
N#Cc1sccc1Nc1cc(F)c(O)c(Cl)c1	ZINC001214482643	1120245061	/nfs/dbraw/zinc/24/50/61/1120245061.db2.gz	GOMCCHVMRBLMQM-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
O=C(/C=C/c1cccc2cnccc12)c1ccc(F)cc1[O-]	ZINC000180932788	1120284550	/nfs/dbraw/zinc/28/45/50/1120284550.db2.gz	CGULQIJKYCSCME-QPJJXVBHSA-N	-1	0	293.297	3.976	20	30		CHEDRM
C=C[C@H](CCC(=O)[O-])[NH2+]Cc1c(Cl)cccc1Cl	ZINC000417625034	1120466971	/nfs/dbraw/zinc/46/69/71/1120466971.db2.gz	LJWQXJRPEMDQSL-SECBINFHSA-N	-1	0	288.174	3.502	20	30		CHEDRM
C=C(C)c1cncc(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222403087	1120588240	/nfs/dbraw/zinc/58/82/40/1120588240.db2.gz	KJXBBWZGSUICNQ-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000198797759	1120675651	/nfs/dbraw/zinc/67/56/51/1120675651.db2.gz	DPNVUKYFHVTLJV-MDZDMXLPSA-N	-1	0	266.296	3.589	20	30		CHEDRM
Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1C#N	ZINC001212513452	1120703606	/nfs/dbraw/zinc/70/36/06/1120703606.db2.gz	QOWKBSPEGMKICB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212514209	1120704170	/nfs/dbraw/zinc/70/41/70/1120704170.db2.gz	HZSBMYHHKVOVTO-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1cccnc1	ZINC000005227363	1120979308	/nfs/dbraw/zinc/97/93/08/1120979308.db2.gz	LTINITLVJSPLAZ-CAOOACKPSA-N	-1	0	281.142	3.713	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)c2cccnc12	ZINC001174812114	1121057519	/nfs/dbraw/zinc/05/75/19/1121057519.db2.gz	BSVDEYBFKXTLNA-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(Cl)c1	ZINC001174952236	1121108352	/nfs/dbraw/zinc/10/83/52/1121108352.db2.gz	PUQMAKDDOMNSSV-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953350	1121109473	/nfs/dbraw/zinc/10/94/73/1121109473.db2.gz	ABNOPHKKXOCOFY-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
CCOc1cc(F)cc(Nc2scc([O-])c2C#N)c1	ZINC001175002147	1121127627	/nfs/dbraw/zinc/12/76/27/1121127627.db2.gz	IVAZJKOCICRZMN-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1C	ZINC001174981337	1121140181	/nfs/dbraw/zinc/14/01/81/1121140181.db2.gz	BCBWRQLXIMWDGK-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(Cl)cc(C#N)c1	ZINC001174984948	1121142719	/nfs/dbraw/zinc/14/27/19/1121142719.db2.gz	XECXDJGHHNJMLZ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
COc1cc(C)c(Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001175116963	1121172067	/nfs/dbraw/zinc/17/20/67/1121172067.db2.gz	VRXNRICDPPGBQG-UHFFFAOYSA-N	-1	0	286.306	3.772	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)ccc2F)c([O-])cc1F	ZINC001175303108	1121275332	/nfs/dbraw/zinc/27/53/32/1121275332.db2.gz	XCHSPBCYWRECMO-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cccc2c(Nc3cncc(C(=O)[O-])c3)cccc12	ZINC001175842834	1121470938	/nfs/dbraw/zinc/47/09/38/1121470938.db2.gz	GVIBUFDOVFHSTC-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
CC(C)c1ccccc1NC(=O)c1cc(O)cc(C#N)c1	ZINC000614294159	1121602106	/nfs/dbraw/zinc/60/21/06/1121602106.db2.gz	UXWSXZJKTCAKHR-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1csc(C(=O)[O-])c1	ZINC001176438881	1121622498	/nfs/dbraw/zinc/62/24/98/1121622498.db2.gz	DPHAFRXWOBTIPG-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
C=CCn1cc(Nc2cc(Cl)ccc2[S-])cn1	ZINC001176544732	1121639863	/nfs/dbraw/zinc/63/98/63/1121639863.db2.gz	DOHZRGWWMUSXFA-UHFFFAOYSA-N	-1	0	265.769	3.755	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176593323	1121650616	/nfs/dbraw/zinc/65/06/16/1121650616.db2.gz	ZSWIKDRIZYCROI-WEVVVXLNSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1cc([O-])cc(Cl)c1	ZINC001176625453	1121664014	/nfs/dbraw/zinc/66/40/14/1121664014.db2.gz	WVZUPNBVIWDTEB-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176673245	1121672863	/nfs/dbraw/zinc/67/28/63/1121672863.db2.gz	PWXVIMVCCVSYMQ-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
N#Cc1c(Nc2ccc(C(=O)[O-])cc2)sc2c1CCC2	ZINC001176707950	1121689548	/nfs/dbraw/zinc/68/95/48/1121689548.db2.gz	POXIXTUVSTUNED-UHFFFAOYSA-N	-1	0	284.340	3.550	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C)c(C)c1O	ZINC000728155120	1121775022	/nfs/dbraw/zinc/77/50/22/1121775022.db2.gz	BVIMVTAMXDJVRY-UHFFFAOYSA-N	-1	0	298.342	3.543	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730147939	1121794630	/nfs/dbraw/zinc/79/46/30/1121794630.db2.gz	AEMPTJLHCCVBHW-FPLPWBNLSA-N	-1	0	286.352	3.905	20	30		CHEDRM
Cc1ccc2c(c1)[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC2	ZINC000730146971	1121795310	/nfs/dbraw/zinc/79/53/10/1121795310.db2.gz	IYGCHKQNVBNJRL-HKJBKDEOSA-N	-1	0	296.326	3.715	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730149276	1121795325	/nfs/dbraw/zinc/79/53/25/1121795325.db2.gz	FIAOZCQBSPSQQL-WAYWQWQTSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1cc(C)cc(C(C)N=Nc2ccccc2C(=O)[O-])c1	ZINC000730431137	1121808252	/nfs/dbraw/zinc/80/82/52/1121808252.db2.gz	NYEFRCSWJSBCCO-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cccc(F)c2F)cs1	ZINC000730730438	1121823199	/nfs/dbraw/zinc/82/31/99/1121823199.db2.gz	ZLSYIZKAEYCKPR-SNAWJCMRSA-N	-1	0	294.278	3.621	20	30		CHEDRM
C[C@@]1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCOC1	ZINC000733081211	1121956449	/nfs/dbraw/zinc/95/64/49/1121956449.db2.gz	QXASPCSPVRWMOH-UDRREKMYSA-N	-1	0	288.174	3.545	20	30		CHEDRM
C[C@@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1	ZINC000733081219	1121957010	/nfs/dbraw/zinc/95/70/10/1121957010.db2.gz	RGQGDJYWDWDXIZ-BQESUSLJSA-N	-1	0	276.336	3.544	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249963206	1121977742	/nfs/dbraw/zinc/97/77/42/1121977742.db2.gz	SOASGKTVKAYCKZ-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
COc1cc(C)c(Nc2scc([O-])c2C#N)c(C)c1	ZINC001250033924	1122108629	/nfs/dbraw/zinc/10/86/29/1122108629.db2.gz	DXRDHLRSZARNSW-UHFFFAOYSA-N	-1	0	274.345	3.694	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c(C)c1	ZINC000774117561	1122126660	/nfs/dbraw/zinc/12/66/60/1122126660.db2.gz	XWWLTABZUKBOOM-VQHVLOKHSA-N	-1	0	280.323	3.898	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1C	ZINC000774140860	1122129748	/nfs/dbraw/zinc/12/97/48/1122129748.db2.gz	VWRVZCLRZQURNK-KTKRTIGZSA-N	-1	0	280.323	3.898	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1)CC2	ZINC000774135728	1122132988	/nfs/dbraw/zinc/13/29/88/1122132988.db2.gz	MITBWDATEAQVCE-XNTDXEJSSA-N	-1	0	292.334	3.906	20	30		CHEDRM
CSc1cccc(N=Cc2ccc(O)c(O)c2O)c1C	ZINC000774541089	1122186155	/nfs/dbraw/zinc/18/61/55/1122186155.db2.gz	JNCWDBXFQCPSDV-UHFFFAOYSA-N	-1	0	289.356	3.584	20	30		CHEDRM
Cc1cc(C)c(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1C	ZINC001184244923	1122264611	/nfs/dbraw/zinc/26/46/11/1122264611.db2.gz	GZBIUHSIMOVAFM-UHFFFAOYSA-N	-1	0	282.363	3.600	20	30		CHEDRM
O=C(C=Cc1cccc2cnccc12)c1sccc1[O-]	ZINC000193148250	1129056566	/nfs/dbraw/zinc/05/65/66/1129056566.db2.gz	QZUUFXDJKVPCEH-SNAWJCMRSA-N	-1	0	281.336	3.898	20	30		CHEDRM
CCCCCCCCCOC(=O)N=c1cn[n-]s1	ZINC001194909867	1122821218	/nfs/dbraw/zinc/82/12/18/1122821218.db2.gz	FCLWXCQDIIVVDN-UHFFFAOYSA-N	-1	0	271.386	3.837	20	30		CHEDRM
N#Cc1c([O-])csc1NC1=CC[C@@H](C(F)(F)F)CC1	ZINC001196767126	1122932067	/nfs/dbraw/zinc/93/20/67/1122932067.db2.gz	KBDUJFGPUOYRBW-SSDOTTSWSA-N	-1	0	288.294	3.984	20	30		CHEDRM
CCCCCCCC(=O)c1ccc([O-])c(C(=O)N(C)C)c1	ZINC001197357469	1122952858	/nfs/dbraw/zinc/95/28/58/1122952858.db2.gz	LDJXFLSYBLIUFG-UHFFFAOYSA-N	-1	0	291.391	3.637	20	30		CHEDRM
CC(=NOCC(F)F)c1ccc(Cl)c(Cl)c1[O-]	ZINC000758902746	1123059812	/nfs/dbraw/zinc/05/98/12/1123059812.db2.gz	JZJGWPDMZPUZEQ-UHFFFAOYSA-N	-1	0	284.089	3.705	20	30		CHEDRM
Cc1ccc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C#N	ZINC001201232136	1123079916	/nfs/dbraw/zinc/07/99/16/1123079916.db2.gz	OYWXACFAJNVRPQ-UHFFFAOYSA-N	-1	0	283.287	3.533	20	30		CHEDRM
CC(C)Nc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001201488328	1123107540	/nfs/dbraw/zinc/10/75/40/1123107540.db2.gz	DSBHZIYEPFVWHU-UHFFFAOYSA-N	-1	0	273.361	3.889	20	30		CHEDRM
COc1ccc(C#N)cc1Nc1ccc([S-])cc1	ZINC001201584155	1123127456	/nfs/dbraw/zinc/12/74/56/1123127456.db2.gz	MUROKUJEOLPVHI-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
COc1cccc(/C=C2\C(=O)c3c(c(F)ccc3O)[C@@H]2C)c1	ZINC000007333205	1123249230	/nfs/dbraw/zinc/24/92/30/1123249230.db2.gz	MFXRGILJYYPMMM-PEHNMLCRSA-N	-1	0	298.313	3.923	20	30		CHEDRM
C#CC1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000853257969	1123430839	/nfs/dbraw/zinc/43/08/39/1123430839.db2.gz	GKJUCZCCRWATOS-UHFFFAOYSA-N	-1	0	290.750	3.630	20	30		CHEDRM
CCc1cccnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000346919411	1123733209	/nfs/dbraw/zinc/73/32/09/1123733209.db2.gz	QNWHHFDSYBJPRA-GFCCVEGCSA-N	-1	0	299.399	3.714	20	30		CHEDRM
COCCCC(C)N=Nc1nc2ccccc2[nH]c1=S	ZINC000863129852	1123846933	/nfs/dbraw/zinc/84/69/33/1123846933.db2.gz	YDVKPINSKMRKHA-UHFFFAOYSA-N	-1	0	290.392	3.507	20	30		CHEDRM
CCc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F	ZINC000794678407	1123926496	/nfs/dbraw/zinc/92/64/96/1123926496.db2.gz	AGAYLEPETSPNDU-UHFFFAOYSA-N	-1	0	288.278	3.753	20	30		CHEDRM
CC(C)n1nccc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000794941314	1124094014	/nfs/dbraw/zinc/09/40/14/1124094014.db2.gz	NTQUODDUKINDGY-GQCTYLIASA-N	-1	0	290.750	3.719	20	30		CHEDRM
CC(C)Oc1cnc(F)c(-c2cc(/C=N/[O-])ccc2F)c1	ZINC001238905575	1131268850	/nfs/dbraw/zinc/26/88/50/1131268850.db2.gz	ZKRZYQAOHMUPGH-FBCYGCLPSA-N	-1	0	292.285	3.622	20	30		CHEDRM
N#Cc1cnc2cc(-c3ccc(C(=O)[O-])cc3F)ccc2c1	ZINC001239266507	1131308735	/nfs/dbraw/zinc/30/87/35/1131308735.db2.gz	JEZBHMCFDIRTFX-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
C=CCOCc1cccc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239266292	1131309152	/nfs/dbraw/zinc/30/91/52/1131309152.db2.gz	BGDMFIPAFYYYMQ-UHFFFAOYSA-N	-1	0	286.302	3.894	20	30		CHEDRM
C=C[C@H](CC)OC(=O)c1cccc2[nH]c(C(F)F)nc21	ZINC001122878348	1131303121	/nfs/dbraw/zinc/30/31/21/1131303121.db2.gz	SXIJMDPGPLKSNW-MRVPVSSYSA-N	-1	0	280.274	3.622	20	30		CHEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2F)nc2ccccc12	ZINC001239249846	1131307653	/nfs/dbraw/zinc/30/76/53/1131307653.db2.gz	IKKJSBCGIWHZRP-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
CC(C)c1ncc(/C=C/C(=O)c2ccc(O)cc2[O-])s1	ZINC000125620908	1124907616	/nfs/dbraw/zinc/90/76/16/1124907616.db2.gz	HRWBOQNSXAPOGO-GQCTYLIASA-N	-1	0	289.356	3.574	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1cc(C(F)(F)F)ccn1	ZINC000821179386	1131323457	/nfs/dbraw/zinc/32/34/57/1131323457.db2.gz	WXJIDKMSYIHEDQ-JTQLQIEISA-N	-1	0	298.239	3.684	20	30		CHEDRM
Cc1ccc2c(cccc2Nc2scc([O-])c2C#N)n1	ZINC001212796067	1125418083	/nfs/dbraw/zinc/41/80/83/1125418083.db2.gz	QJUQRTOYRJUYDW-UHFFFAOYSA-N	-1	0	281.340	3.926	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000041502725	1125433264	/nfs/dbraw/zinc/43/32/64/1125433264.db2.gz	QQASOPFHLCSFKY-LLVKDONJSA-N	-1	0	282.324	3.688	20	30		CHEDRM
Cc1ccc(F)c(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000734980948	1129327532	/nfs/dbraw/zinc/32/75/32/1129327532.db2.gz	KWVQTHYBPQZTTQ-VQHVLOKHSA-N	-1	0	298.313	3.657	20	30		CHEDRM
Cc1ccc2[nH]cc(C=NNc3ccc(C(=O)[O-])cc3)c2c1	ZINC000735609746	1129352203	/nfs/dbraw/zinc/35/22/03/1129352203.db2.gz	ZGLWYPYXJGXJHY-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
CC(C)[C@H](C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000739426992	1129404439	/nfs/dbraw/zinc/40/44/39/1129404439.db2.gz	PRDRVSYCNFAWGN-KIKKFWRUSA-N	-1	0	284.743	3.665	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(OC)c1	ZINC000740760266	1129417453	/nfs/dbraw/zinc/41/74/53/1129417453.db2.gz	OZFBTWHSVJMTMW-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CC[C@@H]1CCC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000740763280	1129418759	/nfs/dbraw/zinc/41/87/59/1129418759.db2.gz	FGKDOUKMUXFLBT-GAXBVXIKSA-N	-1	0	276.336	3.688	20	30		CHEDRM
Cc1cccc([C@@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000741165344	1129430910	/nfs/dbraw/zinc/43/09/10/1129430910.db2.gz	LBFMDBCNNBJCKI-FHXOWUIVSA-N	-1	0	298.342	3.831	20	30		CHEDRM
CCCCCC[C@H](C)NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000743450897	1129525160	/nfs/dbraw/zinc/52/51/60/1129525160.db2.gz	SXHAXCCLXXTMDW-LBPRGKRZSA-N	-1	0	293.367	3.583	20	30		CHEDRM
N#CC(=C([O-])C=CC1CC1)c1nc(-c2ccccc2)cs1	ZINC000744037407	1129549378	/nfs/dbraw/zinc/54/93/78/1129549378.db2.gz	VIEJMVSEYFNPQI-QIAWRQBBSA-N	-1	0	294.379	3.953	20	30		CHEDRM
[O-]/N=C/c1cc(-c2cncs2)cc(C(F)(F)F)c1	ZINC001241501221	1129556608	/nfs/dbraw/zinc/55/66/08/1129556608.db2.gz	UWRBTYDHENLVPN-AYSLTRBKSA-N	-1	0	272.251	3.637	20	30		CHEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@H](C)c1ccccc1	ZINC000746366837	1129650153	/nfs/dbraw/zinc/65/01/53/1129650153.db2.gz	RNVAFGRKMIXMSA-LBPRGKRZSA-N	-1	0	282.343	3.976	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1ccc(F)cc1[O-]	ZINC001242216108	1129682893	/nfs/dbraw/zinc/68/28/93/1129682893.db2.gz	MHSBRTUCNOLBOT-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
C[C@H]1C(N=Nc2ccccc2C(=O)[O-])C[C@H]1c1ccccc1	ZINC000767761867	1129812056	/nfs/dbraw/zinc/81/20/56/1129812056.db2.gz	CRHXKTKQOQVAAL-IUODEOHRSA-N	-1	0	294.354	3.976	20	30		CHEDRM
O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])c(Cl)c1	ZINC000119257172	1129847667	/nfs/dbraw/zinc/84/76/67/1129847667.db2.gz	SVIOMHKNZCHFOE-XVNBXDOJSA-N	-1	0	274.703	3.647	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOCc1cccnc1	ZINC000746585588	1130096105	/nfs/dbraw/zinc/09/61/05/1130096105.db2.gz	HSHPRGMUKVZLQN-UHFFFAOYSA-N	-1	0	297.141	3.645	20	30		CHEDRM
CC1(C)CCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000788941634	1130220718	/nfs/dbraw/zinc/22/07/18/1130220718.db2.gz	ZJYYUOBNWRTMTF-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
C=CCOc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1	ZINC000780188257	1130234334	/nfs/dbraw/zinc/23/43/34/1130234334.db2.gz	MUIFKRVVEYLSGY-OQLLNIDSSA-N	-1	0	292.334	3.779	20	30		CHEDRM
COc1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)ccn1	ZINC001240260376	1130251514	/nfs/dbraw/zinc/25/15/14/1130251514.db2.gz	RONRLSYHQRKGQQ-UFWORHAWSA-N	-1	0	296.248	3.584	20	30		CHEDRM
CC1=C[C@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000789638569	1130267829	/nfs/dbraw/zinc/26/78/29/1130267829.db2.gz	FIBVECSGSYRQRR-WCQYABFASA-N	-1	0	272.348	3.775	20	30		CHEDRM
N#CCc1cccc(-c2cccc(/C=C/C(=O)[O-])c2)c1F	ZINC001240549856	1130352717	/nfs/dbraw/zinc/35/27/17/1130352717.db2.gz	YIBCBZWZRSFNKD-BQYQJAHWSA-N	-1	0	281.286	3.657	20	30		CHEDRM
N#CCCOc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001240550528	1130353337	/nfs/dbraw/zinc/35/33/37/1130353337.db2.gz	FGRXCFLVGPBKAW-BJMVGYQFSA-N	-1	0	293.322	3.744	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2cc(F)ccc2[O-])n1	ZINC001240694097	1130421056	/nfs/dbraw/zinc/42/10/56/1130421056.db2.gz	LUFUVAFHPRLOGI-UHFFFAOYSA-N	-1	0	256.280	3.588	20	30		CHEDRM
COc1c(F)ccc(F)c1-c1ccc(/C=N/[O-])c(F)c1	ZINC001240726440	1130440903	/nfs/dbraw/zinc/44/09/03/1130440903.db2.gz	SMBQMQMIZXFCSS-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c(C)c1	ZINC000772795839	1130448232	/nfs/dbraw/zinc/44/82/32/1130448232.db2.gz	FYENDAVUUJNMJW-XBXARRHUSA-N	-1	0	297.310	3.813	20	30		CHEDRM
N#Cc1cnc(-c2ccc([O-])c(F)c2)c2sccc21	ZINC001240786462	1130469559	/nfs/dbraw/zinc/46/95/59/1130469559.db2.gz	UGLWBCMDEBPFGK-UHFFFAOYSA-N	-1	0	270.288	3.680	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2ccc(C(=O)[O-])s2)cc1	ZINC001240847623	1130492014	/nfs/dbraw/zinc/49/20/14/1130492014.db2.gz	LRNILOKKIJIFMQ-VIFPVBQESA-N	-1	0	257.314	3.740	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2ccc(C(=O)[O-])s2)cc1	ZINC001240847622	1130492127	/nfs/dbraw/zinc/49/21/27/1130492127.db2.gz	LRNILOKKIJIFMQ-SECBINFHSA-N	-1	0	257.314	3.740	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240975598	1130545904	/nfs/dbraw/zinc/54/59/04/1130545904.db2.gz	TWFLMSUZGVZNLB-UHFFFAOYSA-N	-1	0	279.339	3.782	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cc1F	ZINC001241000958	1130558693	/nfs/dbraw/zinc/55/86/93/1130558693.db2.gz	PBFJHAKFNFTHOF-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C2(C#N)CC2)cc1	ZINC001241001749	1130559769	/nfs/dbraw/zinc/55/97/69/1130559769.db2.gz	IWAOUHUDOPIAOS-UHFFFAOYSA-N	-1	0	277.323	3.915	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cc1C	ZINC001241002753	1130560718	/nfs/dbraw/zinc/56/07/18/1130560718.db2.gz	MXLZOGIUAQOZPQ-UHFFFAOYSA-N	-1	0	265.312	3.735	20	30		CHEDRM
COc1cc(/C=C/C(C)=O)ccc1O[C@H](C)C1=CC=C[CH]1	ZINC001234340440	1130637787	/nfs/dbraw/zinc/63/77/87/1130637787.db2.gz	YLWNSBKGMPBKLC-MYSGNRETSA-N	-1	0	283.347	3.765	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)c([O-])c1	ZINC000811694698	1130639280	/nfs/dbraw/zinc/63/92/80/1130639280.db2.gz	YPSVMTRPLACSDP-VURMDHGXSA-N	-1	0	281.286	3.608	20	30		CHEDRM
C#C[C@@H](Oc1ccc2[n-]c(=S)sc2c1)c1ccncc1	ZINC001234426068	1130643317	/nfs/dbraw/zinc/64/33/17/1130643317.db2.gz	YUIMFTAIVBZEEN-CYBMUJFWSA-N	-1	0	298.392	3.733	20	30		CHEDRM
Cc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1	ZINC000812443557	1130690981	/nfs/dbraw/zinc/69/09/81/1130690981.db2.gz	VCGQKOXMXOSLGZ-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
Cc1cc(CN=Nc2ccccc2C(=O)[O-])c(C)n1C1CC1	ZINC000812445468	1130695113	/nfs/dbraw/zinc/69/51/13/1130695113.db2.gz	RTUFKMZDSOKGNV-UHFFFAOYSA-N	-1	0	297.358	3.584	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235148150	1130715052	/nfs/dbraw/zinc/71/50/52/1130715052.db2.gz	BIPBZTUDGISRTI-JXMROGBWSA-N	-1	0	279.339	3.883	20	30		CHEDRM
N#Cc1c(F)cc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1F	ZINC001235458684	1130747120	/nfs/dbraw/zinc/74/71/20/1130747120.db2.gz	LGMYQQYTPKYGLY-ZZXKWVIFSA-N	-1	0	285.249	3.601	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1C	ZINC000782201332	1130762340	/nfs/dbraw/zinc/76/23/40/1130762340.db2.gz	SUMXNHPPFRHABM-VOTSOKGWSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000782348488	1130775109	/nfs/dbraw/zinc/77/51/09/1130775109.db2.gz	RXAZOUJCKQPPTA-GORDUTHDSA-N	-1	0	291.709	3.784	20	30		CHEDRM
Cc1ccoc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1Cl	ZINC000783708701	1130849845	/nfs/dbraw/zinc/84/98/45/1130849845.db2.gz	DHJXGUGFOXHEIT-PLNGDYQASA-N	-1	0	290.702	3.836	20	30		CHEDRM
C[C@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000783769693	1130853976	/nfs/dbraw/zinc/85/39/76/1130853976.db2.gz	IFFPRKQLWUICQR-AAEUAGOBSA-N	-1	0	260.337	3.609	20	30		CHEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(C)c2Cl)nc1C#N	ZINC001236114536	1130868168	/nfs/dbraw/zinc/86/81/68/1130868168.db2.gz	SBEOEZDIFWVGMS-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(C)c2Cl)c(C#N)n1	ZINC001236121420	1130869173	/nfs/dbraw/zinc/86/91/73/1130869173.db2.gz	SMZBXJABWSWQPL-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(Cl)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814683747	1130894897	/nfs/dbraw/zinc/89/48/97/1130894897.db2.gz	OGBAOHPUHBTXNH-UWVGGRQHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
Cc1ccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)cc1	ZINC000814685642	1130894994	/nfs/dbraw/zinc/89/49/94/1130894994.db2.gz	LIUFAQBSDAKSNH-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
C[C@H]1CC(N=Nc2ccc3ccccc3n2)CC[C@H]1C(=O)[O-]	ZINC000814697610	1130896245	/nfs/dbraw/zinc/89/62/45/1130896245.db2.gz	VNBPAKLNCGLQFT-SMDDNHRTSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CC(N=Nc1ccc(F)cc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814693563	1130901844	/nfs/dbraw/zinc/90/18/44/1130901844.db2.gz	YAXGEXWBFQWGMZ-RISCZKNCSA-N	-1	0	292.354	3.751	20	30		CHEDRM
Cc1c(Cl)cccc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814802198	1130912747	/nfs/dbraw/zinc/91/27/47/1130912747.db2.gz	VTUAPPDTACSIOW-KOLCDFICSA-N	-1	0	294.782	3.937	20	30		CHEDRM
CCc1nc2ccccc2n1N=Cc1cccc([O-])c1Cl	ZINC000814787013	1130915157	/nfs/dbraw/zinc/91/51/57/1130915157.db2.gz	GBYDOZLSQNTCQD-UHFFFAOYSA-N	-1	0	299.761	3.840	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc2cnccc21	ZINC000814836408	1130921370	/nfs/dbraw/zinc/92/13/70/1130921370.db2.gz	PPARKDIIRGSPCU-UHFFFAOYSA-N	-1	0	297.358	3.668	20	30		CHEDRM
Cc1ccc(F)c(-c2ncc3c(c2C#N)CCCC3)c1[O-]	ZINC001236403471	1130929317	/nfs/dbraw/zinc/92/93/17/1130929317.db2.gz	SJCSNZCNBLVLKU-UHFFFAOYSA-N	-1	0	282.318	3.652	20	30		CHEDRM
CC(N=Nc1cc(Cl)ccn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814898408	1130930871	/nfs/dbraw/zinc/93/08/71/1130930871.db2.gz	PAYMFEDGVGGDCX-JTQLQIEISA-N	-1	0	297.786	3.804	20	30		CHEDRM
C[C@H]1CC(N=Nc2c(F)cccc2Cl)CC[C@H]1C(=O)[O-]	ZINC000814904868	1130933776	/nfs/dbraw/zinc/93/37/76/1130933776.db2.gz	CBAFLEFCNFUMGE-WCBMZHEXSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C)C(C)(C)C	ZINC000814937907	1130939788	/nfs/dbraw/zinc/93/97/88/1130939788.db2.gz	RPHKJENXPDWPQJ-SRVKXCTJSA-N	-1	0	282.428	3.524	20	30		CHEDRM
CC(=NN[C@H](C)C(C)(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814937917	1130940194	/nfs/dbraw/zinc/94/01/94/1130940194.db2.gz	RQLFMKSXJNFOJF-UPJWGTAASA-N	-1	0	282.428	3.524	20	30		CHEDRM
CC[C@@H](C)CON=C(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814939252	1130940435	/nfs/dbraw/zinc/94/04/35/1130940435.db2.gz	KCUZDQAJPFCDAO-VXGBXAGGSA-N	-1	0	257.374	3.706	20	30		CHEDRM
CC[C@H](C)CON=C(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814939251	1130941197	/nfs/dbraw/zinc/94/11/97/1130941197.db2.gz	KCUZDQAJPFCDAO-RYUDHWBXSA-N	-1	0	257.374	3.706	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1	ZINC000797569036	1130994213	/nfs/dbraw/zinc/99/42/13/1130994213.db2.gz	ZYVYNXYQZGRGOF-LLVKDONJSA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C/c2cccc(C#N)c2)c([O-])c1	ZINC000799894664	1131112727	/nfs/dbraw/zinc/11/27/27/1131112727.db2.gz	AZXSYHJCBGHXEK-VOTSOKGWSA-N	-1	0	277.323	3.777	20	30		CHEDRM
COc1cccc(/C=C/C(=O)c2ccc(F)cc2[O-])c1F	ZINC000799893031	1131113142	/nfs/dbraw/zinc/11/31/42/1131113142.db2.gz	WABOKEFMVWYQAS-VMPITWQZSA-N	-1	0	290.265	3.575	20	30		CHEDRM
C=CCOc1cc(C)nc(-c2cc(Cl)c([O-])cc2F)n1	ZINC001245668192	1131117609	/nfs/dbraw/zinc/11/76/09/1131117609.db2.gz	PRIQORTZKPSTIP-UHFFFAOYSA-N	-1	0	294.713	3.515	20	30		CHEDRM
C=CC[C@@H](C)C(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC001144020790	1131572166	/nfs/dbraw/zinc/57/21/66/1131572166.db2.gz	NSORPWCLRFKKHW-MRVPVSSYSA-N	-1	0	278.402	3.736	20	30		CHEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@H]1C[C@H]1C	ZINC000844624499	1131586990	/nfs/dbraw/zinc/58/69/90/1131586990.db2.gz	YJWMCUHBJSFVIP-SKDRFNHKSA-N	-1	0	260.337	3.527	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]ncc(=O)c2Cl)C1	ZINC001228387928	1131872686	/nfs/dbraw/zinc/87/26/86/1131872686.db2.gz	RYBXFOUKESNAPP-ZYHUDNBSSA-N	-1	0	280.755	3.515	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]ncc(=O)c2Cl)C1	ZINC001228387924	1131872935	/nfs/dbraw/zinc/87/29/35/1131872935.db2.gz	RYBXFOUKESNAPP-JQWIXIFHSA-N	-1	0	280.755	3.515	20	30		CHEDRM
CC1(C#N)CCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC001140831915	1131941544	/nfs/dbraw/zinc/94/15/44/1131941544.db2.gz	APDHDCMWGWQMML-UHFFFAOYSA-N	-1	0	299.201	3.825	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])cnc1Cl	ZINC000773144102	1131961092	/nfs/dbraw/zinc/96/10/92/1131961092.db2.gz	XLAYZRKELCHAJV-NSCUHMNNSA-N	-1	0	279.748	3.707	20	30		CHEDRM
COc1ccc(C(=O)/C=C/c2ccc(C)c(OC)c2)c([O-])c1	ZINC000773144099	1131961160	/nfs/dbraw/zinc/96/11/60/1131961160.db2.gz	XKWPDQUYMSYHBP-RMKNXTFCSA-N	-1	0	298.338	3.614	20	30		CHEDRM
Cc1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000773147964	1131963398	/nfs/dbraw/zinc/96/33/98/1131963398.db2.gz	FJUHNEBFMIWARB-SNAWJCMRSA-N	-1	0	262.305	3.797	20	30		CHEDRM
CCc1ccc(C=CC(=O)c2sccc2[O-])s1	ZINC000773149019	1131964794	/nfs/dbraw/zinc/96/47/94/1131964794.db2.gz	JYHQWHQWYVSODD-AATRIKPKSA-N	-1	0	264.371	3.974	20	30		CHEDRM
N#Cc1sccc1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248549212	1132030256	/nfs/dbraw/zinc/03/02/56/1132030256.db2.gz	VYUZFPSUHJYFCF-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1ccc2c(c1)nc(=O)[n-]c2O[C@H](C)CC(C)(C)S	ZINC001230887825	1132223571	/nfs/dbraw/zinc/22/35/71/1132223571.db2.gz	DYERIWKZRYTSJX-SNVBAGLBSA-N	-1	0	292.404	3.510	20	30		CHEDRM
CC1(C)OCC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840705176	1132271393	/nfs/dbraw/zinc/27/13/93/1132271393.db2.gz	CINASQXALJGIRP-FQKZPNAISA-N	-1	0	288.174	3.685	20	30		CHEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1C[C@H]1C	ZINC000841605369	1132375884	/nfs/dbraw/zinc/37/58/84/1132375884.db2.gz	ZXXNMGIGPIRQQS-PSASIEDQSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CCc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173970501	1132644623	/nfs/dbraw/zinc/64/46/23/1132644623.db2.gz	XYYNNSHUQSUDBA-UHFFFAOYSA-N	-1	0	256.280	3.709	20	30		CHEDRM
CCC[C@H]1CCCC[C@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919300	1132698403	/nfs/dbraw/zinc/69/84/03/1132698403.db2.gz	FWHDJZPDZYAPFK-GXTWGEPZSA-N	-1	0	274.364	3.705	20	30		CHEDRM
CCC[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919302	1132698491	/nfs/dbraw/zinc/69/84/91/1132698491.db2.gz	FWHDJZPDZYAPFK-OCCSQVGLSA-N	-1	0	274.364	3.705	20	30		CHEDRM
Cc1oc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1C	ZINC001174494440	1132860344	/nfs/dbraw/zinc/86/03/44/1132860344.db2.gz	DKLAKOGVIKZNKS-VOTSOKGWSA-N	-1	0	282.299	3.610	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1OC	ZINC001174676952	1132945198	/nfs/dbraw/zinc/94/51/98/1132945198.db2.gz	FBSBNRJYPYXKGT-UHFFFAOYSA-N	-1	0	296.326	3.571	20	30		CHEDRM
C=C(C)CO[N-]C(=O)C1(c2ccccc2)CCCCCC1	ZINC001164454086	1133220211	/nfs/dbraw/zinc/22/02/11/1133220211.db2.gz	ACFRJIFEICUYPC-UHFFFAOYSA-N	-1	0	287.403	3.903	20	30		CHEDRM
COc1cc(Nc2cc(F)c(C#N)c(F)c2)ccc1[S-]	ZINC001203681747	1133352854	/nfs/dbraw/zinc/35/28/54/1133352854.db2.gz	NGFJUYRKEUWKDJ-UHFFFAOYSA-N	-1	0	292.310	3.877	20	30		CHEDRM
N#CC1(c2cccc(-c3cc(F)c(F)c(C(=O)[O-])c3)c2)CC1	ZINC001206038703	1133645837	/nfs/dbraw/zinc/64/58/37/1133645837.db2.gz	NFTUEEBDKANGSU-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
N#Cc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c2cc[nH]c21	ZINC001206045358	1133648693	/nfs/dbraw/zinc/64/86/93/1133648693.db2.gz	SIPGTMXWPOZRJO-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(F)cc(C(=O)[O-])c2)s1	ZINC001209887410	1134094510	/nfs/dbraw/zinc/09/45/10/1134094510.db2.gz	YWAAHDYRIRRWOZ-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889077	1134095442	/nfs/dbraw/zinc/09/54/42/1134095442.db2.gz	KIVKVFOHIMCGRB-UHFFFAOYSA-N	-1	0	284.290	3.702	20	30		CHEDRM
COc1cccc(Nc2ccc([S-])c(OC)c2)c1C#N	ZINC001210127009	1134152442	/nfs/dbraw/zinc/15/24/42/1134152442.db2.gz	PYQCELRFTKQZLK-UHFFFAOYSA-N	-1	0	286.356	3.608	20	30		CHEDRM
COc1cccc(Nc2cccc([O-])c2Cl)c1C#N	ZINC001210124977	1134152619	/nfs/dbraw/zinc/15/26/19/1134152619.db2.gz	SBNSLVNAODVNQT-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
Cc1cc(Nc2ccc3[n-]c(=S)sc3c2)cnc1C#N	ZINC001210205420	1134166009	/nfs/dbraw/zinc/16/60/09/1134166009.db2.gz	TUXUPKUXBVEVKR-UHFFFAOYSA-N	-1	0	298.396	3.904	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210242354	1134176193	/nfs/dbraw/zinc/17/61/93/1134176193.db2.gz	JOBXNSVNNZRQOS-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CC(C)(C)c1nnc([N-]c2cc(Cl)cc(C#N)c2)o1	ZINC001210536761	1134241652	/nfs/dbraw/zinc/24/16/52/1134241652.db2.gz	VODIHDSICQVUJS-UHFFFAOYSA-N	-1	0	276.727	3.636	20	30		CHEDRM
N#Cc1nc(Cl)ccc1Nc1cccc([O-])c1Cl	ZINC001210845246	1134311065	/nfs/dbraw/zinc/31/10/65/1134311065.db2.gz	WACQXNHGDOLARE-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
COc1ccc(Nc2cccc([S-])c2)cc1C#N	ZINC001210947811	1134336281	/nfs/dbraw/zinc/33/62/81/1134336281.db2.gz	ZOFCWSAFIOWZQF-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
COc1cccc(Nc2cccc([S-])c2)c1C#N	ZINC001210950130	1134337709	/nfs/dbraw/zinc/33/77/09/1134337709.db2.gz	LTARSBMZQNABQB-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
N#CCc1ccc(-c2cc(F)c([O-])cc2F)c(F)c1	ZINC001211339018	1134410145	/nfs/dbraw/zinc/41/01/45/1134410145.db2.gz	KHWGHTFYHYURFS-UHFFFAOYSA-N	-1	0	263.218	3.543	20	30		CHEDRM
N#Cc1ccc(Nc2c([S-])cccc2Cl)c(N)c1	ZINC001213368109	1134444716	/nfs/dbraw/zinc/44/47/16/1134444716.db2.gz	YIVBXHAMPINUQC-UHFFFAOYSA-N	-1	0	275.764	3.826	20	30		CHEDRM
Cc1csc(Nc2ccc(CCC(=O)[O-])cc2)c1C#N	ZINC001213619594	1134470036	/nfs/dbraw/zinc/47/00/36/1134470036.db2.gz	OYQBOXPFKPOEQH-UHFFFAOYSA-N	-1	0	286.356	3.689	20	30		CHEDRM
N#CCc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1	ZINC001213627930	1134471405	/nfs/dbraw/zinc/47/14/05/1134471405.db2.gz	TUTQDDBACJMDSI-UHFFFAOYSA-N	-1	0	280.327	3.513	20	30		CHEDRM
N#Cc1cccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001214743103	1134568805	/nfs/dbraw/zinc/56/88/05/1134568805.db2.gz	HLZXNEAOZOPVRC-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1coc(Nc2cc(C(=O)[O-])c(Cl)cc2F)c1C#N	ZINC001214743451	1134568839	/nfs/dbraw/zinc/56/88/39/1134568839.db2.gz	YNIPCKWFRIAKJU-UHFFFAOYSA-N	-1	0	294.669	3.694	20	30		CHEDRM
CC(C)c1ccc(Nc2cc(C(=O)[O-])cnc2F)c(C#N)c1	ZINC001215130184	1134601223	/nfs/dbraw/zinc/60/12/23/1134601223.db2.gz	NAIQDNOMVUPCQS-UHFFFAOYSA-N	-1	0	299.305	3.658	20	30		CHEDRM
N#Cc1cc(F)cc(-c2noc(-c3ccccc3[S-])n2)c1	ZINC001215308224	1134617114	/nfs/dbraw/zinc/61/71/14/1134617114.db2.gz	RBHIRXDDQGWZGI-UHFFFAOYSA-N	-1	0	297.314	3.703	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215614318	1134654624	/nfs/dbraw/zinc/65/46/24/1134654624.db2.gz	ZTLDUSKIIULHCO-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C#Cc1cccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001215696386	1134660332	/nfs/dbraw/zinc/66/03/32/1134660332.db2.gz	ZECBVYQVZCUDME-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
CC(C)c1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1N	ZINC001216046904	1134759820	/nfs/dbraw/zinc/75/98/20/1134759820.db2.gz	XQKYXIMTNDKFNT-UHFFFAOYSA-N	-1	0	285.322	3.852	20	30		CHEDRM
Cc1cc(Nc2ccsc2C#N)cc(C)c1C(=O)[O-]	ZINC001216310217	1134845310	/nfs/dbraw/zinc/84/53/10/1134845310.db2.gz	TZRQCTJDYKIGLH-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216311274	1134845931	/nfs/dbraw/zinc/84/59/31/1134845931.db2.gz	GHLHYNODSDUQLN-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cc1	ZINC001216312658	1134846571	/nfs/dbraw/zinc/84/65/71/1134846571.db2.gz	PFOMNMVSWJXJIQ-UHFFFAOYSA-N	-1	0	265.312	3.727	20	30		CHEDRM
Cc1csc(Nc2cccc(C(=O)[O-])c2C)c1C#N	ZINC001216658636	1134939652	/nfs/dbraw/zinc/93/96/52/1134939652.db2.gz	IVUOLQXCRFUBOW-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)c(Cl)c1	ZINC000312803226	1135135518	/nfs/dbraw/zinc/13/55/18/1135135518.db2.gz	RBSZQQJBAMUFEW-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222412276	1135238473	/nfs/dbraw/zinc/23/84/73/1135238473.db2.gz	IDVCRCBPXNGKAD-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
C=C[C@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940343	1135286269	/nfs/dbraw/zinc/28/62/69/1135286269.db2.gz	RPLLGTQNUNWBKX-OPVNVCPSSA-N	-1	0	275.682	3.702	20	30		CHEDRM
CC[C@@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222939538	1135286719	/nfs/dbraw/zinc/28/67/19/1135286719.db2.gz	DWSTYDQJPAQHFN-QOYDFYKXSA-N	-1	0	277.698	3.926	20	30		CHEDRM
CCCCCCC[C@H](CCC)OCCCS(=O)(=O)[O-]	ZINC001224898225	1135492573	/nfs/dbraw/zinc/49/25/73/1135492573.db2.gz	JTRRYGXQMUKCHR-AWEZNQCLSA-N	-1	0	294.457	3.810	20	30		CHEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CC[C@H]2CCCC[C@H]2C1	ZINC001226008158	1135651915	/nfs/dbraw/zinc/65/19/15/1135651915.db2.gz	FMJSYCIEGSDOBQ-NTZNESFSSA-N	-1	0	290.338	3.536	20	30		CHEDRM
COc1ccc(C)cc1/C=C/C(=O)c1ccccc1[O-]	ZINC000096923907	185131021	/nfs/dbraw/zinc/13/10/21/185131021.db2.gz	FYNDZYQDQOBNHI-CMDGGOBGSA-N	-1	0	268.312	3.605	20	30		CHEDRM
CCCCCCCCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000103357303	185831564	/nfs/dbraw/zinc/83/15/64/185831564.db2.gz	SKKCEMPWTFGKDC-CQSZACIVSA-N	-1	0	283.412	3.593	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000573805727	334967725	/nfs/dbraw/zinc/96/77/25/334967725.db2.gz	LWBOFNKKXOLZOE-LLVKDONJSA-N	-1	0	251.285	3.679	20	30		CHEDRM
N#Cc1csc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)c1	ZINC000352004535	228173590	/nfs/dbraw/zinc/17/35/90/228173590.db2.gz	AIZVIAPYUSSPBQ-PLNGDYQASA-N	-1	0	296.307	3.630	20	30		CHEDRM
C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1	ZINC000280897889	263064936	/nfs/dbraw/zinc/06/49/36/263064936.db2.gz	CFFQYRIFSUBJKO-JNWOYTSRSA-N	-1	0	288.174	3.543	20	30		CHEDRM
C=CC(C)(C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000297249149	263202426	/nfs/dbraw/zinc/20/24/26/263202426.db2.gz	VFSMBSYPBOPTMU-UHFFFAOYSA-N	-1	0	274.147	3.850	20	30		CHEDRM
C=CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1cccs1	ZINC000519167390	265343076	/nfs/dbraw/zinc/34/30/76/265343076.db2.gz	SWBWUSKCNHWLLQ-UHFFFAOYSA-N	-1	0	291.372	3.536	20	30		CHEDRM
C=CCCC1(C(=O)Nc2cccc(Cl)c2[O-])CC1	ZINC000356564630	266138652	/nfs/dbraw/zinc/13/86/52/266138652.db2.gz	KOEFJUGHXBVDHB-UHFFFAOYSA-N	-1	0	265.740	3.731	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)o1	ZINC000338186730	327970055	/nfs/dbraw/zinc/97/00/55/327970055.db2.gz	AORZCOZYMXGHDL-GFCCVEGCSA-N	-1	0	296.351	3.996	20	30		CHEDRM
C=CCOc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)cc1	ZINC000559981081	327275260	/nfs/dbraw/zinc/27/52/60/327275260.db2.gz	HCMOGHSDXCKIKE-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)oc1C	ZINC000532267998	328712638	/nfs/dbraw/zinc/71/26/38/328712638.db2.gz	WQLLYHXBDCARQZ-LLVKDONJSA-N	-1	0	280.283	3.528	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)co1	ZINC000444454667	330813072	/nfs/dbraw/zinc/81/30/72/330813072.db2.gz	PHLXUHDIWBYEHF-LLVKDONJSA-N	-1	0	282.324	3.688	20	30		CHEDRM
CC(C)Oc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])cc1	ZINC000567978819	334780736	/nfs/dbraw/zinc/78/07/36/334780736.db2.gz	TUDMCOGXRCKZPT-UHFFFAOYSA-N	-1	0	295.338	3.905	20	30		CHEDRM
C=C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000190873788	527423496	/nfs/dbraw/zinc/42/34/96/527423496.db2.gz	VFBQZQFQEXKCBL-ZDUSSCGKSA-N	-1	0	295.338	3.683	20	30		CHEDRM
N#Cc1cc(Cl)ccc1NCc1ccc(C(=O)[O-])cc1	ZINC000052856098	600160819	/nfs/dbraw/zinc/16/08/19/600160819.db2.gz	IGTJORKROCYBMF-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
C#Cc1cccc(N(CCCC(=O)[O-])Cc2cccs2)c1	ZINC000736091117	600317791	/nfs/dbraw/zinc/31/77/91/600317791.db2.gz	OZYOBTGVGPQDEA-UHFFFAOYSA-N	-1	0	299.395	3.601	20	30		CHEDRM
C=CCCCS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736102636	600439756	/nfs/dbraw/zinc/43/97/56/600439756.db2.gz	SKNLCFUPAXKSBM-NSHDSACASA-N	-1	0	295.404	3.600	20	30		CHEDRM
CC(C)c1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000736521207	600590249	/nfs/dbraw/zinc/59/02/49/600590249.db2.gz	LZCHAAHAYIIPFG-KRWDZBQOSA-N	-1	0	294.354	3.919	20	30		CHEDRM
CSc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738213265	600590659	/nfs/dbraw/zinc/59/06/59/600590659.db2.gz	AKHCNZILRBNFNN-OAHLLOKOSA-N	-1	0	298.367	3.518	20	30		CHEDRM
CC(C)C[C@H](C/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736403808	600816517	/nfs/dbraw/zinc/81/65/17/600816517.db2.gz	KOKVTRMWCYPYOB-HIPSJFSSSA-N	-1	0	299.370	3.711	20	30		CHEDRM
CC(C)c1ccc([C@H](C)NN=Cc2c[nH]c(C(=O)[O-])c2)cc1	ZINC000814811360	601797151	/nfs/dbraw/zinc/79/71/51/601797151.db2.gz	BIQSPERGGVNNHP-LBPRGKRZSA-N	-1	0	299.374	3.521	20	30		CHEDRM
C=CCC(CC=C)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825665272	604598855	/nfs/dbraw/zinc/59/88/55/604598855.db2.gz	XSNLBQVDZRQUHW-LLVKDONJSA-N	-1	0	292.331	3.659	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)cc2F)cc1	ZINC000833309577	604630477	/nfs/dbraw/zinc/63/04/77/604630477.db2.gz	CCROOOUPDLNAKM-VURMDHGXSA-N	-1	0	288.249	3.559	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(F)c2F)cc1	ZINC000833309927	604630835	/nfs/dbraw/zinc/63/08/35/604630835.db2.gz	JKHPUIJYAVKPCQ-CMDGGOBGSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(C)[C@H]1CC[C@@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763377681	604670205	/nfs/dbraw/zinc/67/02/05/604670205.db2.gz	STPIMLJTBVRZAL-DGCLKSJQSA-N	-1	0	289.379	3.640	20	30		CHEDRM
N#Cc1c(Cl)nsc1Nc1ccc(NC(=O)[O-])cc1	ZINC000833761336	604824406	/nfs/dbraw/zinc/82/44/06/604824406.db2.gz	VWEKIBWWVVKTJM-UHFFFAOYSA-N	-1	0	294.723	3.502	20	30		CHEDRM
CC(=NOC1CCCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814894085	605040745	/nfs/dbraw/zinc/04/07/45/605040745.db2.gz	IWAFYRWCMLEGCO-NSHDSACASA-N	-1	0	255.358	3.603	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC[C@H]1C[C@@H]1c1ccccc1	ZINC000755601470	605095270	/nfs/dbraw/zinc/09/52/70/605095270.db2.gz	OMDBJJGUQPOWPG-UKRRQHHQSA-N	-1	0	280.327	3.586	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCC1	ZINC000833386800	605156192	/nfs/dbraw/zinc/15/61/92/605156192.db2.gz	WSAIHGSHACQLDT-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
C=C[C@@H](Sc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000322749701	970925518	/nfs/dbraw/zinc/92/55/18/970925518.db2.gz	CZTIKBGPPFVFGN-MRVPVSSYSA-N	-1	0	263.145	3.725	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000008322696	956886632	/nfs/dbraw/zinc/88/66/32/956886632.db2.gz	UDRWQBCVALWPDO-JXMROGBWSA-N	-1	0	280.323	3.898	20	30		CHEDRM
CCCCCCCOc1ccc(C(=O)[O-])cc1OC	ZINC000014980569	957096879	/nfs/dbraw/zinc/09/68/79/957096879.db2.gz	UEVVWVXGDYTQKF-UHFFFAOYSA-N	-1	0	266.337	3.743	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1	ZINC000083192641	957820220	/nfs/dbraw/zinc/82/02/20/957820220.db2.gz	LASJQORRWMTBCQ-JXMROGBWSA-N	-1	0	291.306	3.762	20	30		CHEDRM
C#Cc1ccc(NCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC001588438925	958307796	/nfs/dbraw/zinc/30/77/96/958307796.db2.gz	KBSCCLOWWPJPRI-UHFFFAOYSA-N	-1	0	285.730	3.632	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000104521248	958367411	/nfs/dbraw/zinc/36/74/11/958367411.db2.gz	ILALQFTZUNJSDQ-CQSZACIVSA-N	-1	0	283.412	3.593	20	30		CHEDRM
CCCCCCCCCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC000110934979	958403761	/nfs/dbraw/zinc/40/37/61/958403761.db2.gz	RPEDUGHPSCPGGW-UHFFFAOYSA-N	-1	0	292.379	3.859	20	30		CHEDRM
C[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000729641822	1125480712	/nfs/dbraw/zinc/48/07/12/1125480712.db2.gz	YTQZSEDSSYUMPQ-DUZNOGIESA-N	-1	0	282.727	3.561	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CCCC1	ZINC001573353286	962999210	/nfs/dbraw/zinc/99/92/10/962999210.db2.gz	TWZVSWNDSAIGEE-UHFFFAOYSA-N	-1	0	287.359	3.768	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000398065541	973063599	/nfs/dbraw/zinc/06/35/99/973063599.db2.gz	DPPMOVJEUUIIPJ-GFCCVEGCSA-N	-1	0	290.363	3.560	20	30		CHEDRM
CC(C)c1cccc(Oc2ccc(C(=O)[O-])nc2C#N)c1	ZINC001591994796	976635646	/nfs/dbraw/zinc/63/56/46/976635646.db2.gz	SWIUMCOCCLDICD-UHFFFAOYSA-N	-1	0	282.299	3.567	20	30		CHEDRM
CC(CCC(=O)[O-])=NN=C1c2ccccc2-c2ccccc21	ZINC001592469875	978215318	/nfs/dbraw/zinc/21/53/18/978215318.db2.gz	BNAJXMHHGZSVQM-UHFFFAOYSA-N	-1	0	292.338	3.745	20	30		CHEDRM
CCOc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774126275	978746397	/nfs/dbraw/zinc/74/63/97/978746397.db2.gz	IGENYMNRAWCFLR-KTKRTIGZSA-N	-1	0	296.322	3.680	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/Cc3cc(Cl)ccc3C2=O)c1	ZINC000774131674	978746439	/nfs/dbraw/zinc/74/64/39/978746439.db2.gz	RERKXEMBSGURBZ-QPEQYQDCSA-N	-1	0	298.725	3.861	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cc3c(s2)CCC3)c1	ZINC000774135356	978746475	/nfs/dbraw/zinc/74/64/75/978746475.db2.gz	JQCFAWVGPAOZDF-BQYQJAHWSA-N	-1	0	298.363	3.831	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccc(Cl)cc2F)c1	ZINC000783511005	978793291	/nfs/dbraw/zinc/79/32/91/978793291.db2.gz	GJWCJNOAJXXLJI-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCC[C@@H]2c2ccccn2)c1	ZINC000794854624	978823203	/nfs/dbraw/zinc/82/32/03/978823203.db2.gz	JUNSWURADJGMAR-CQSZACIVSA-N	-1	0	295.342	3.515	20	30		CHEDRM
CC(=NNc1ccc(Cl)cc1)c1cc(C(=O)[O-])cs1	ZINC000814683511	978871851	/nfs/dbraw/zinc/87/18/51/978871851.db2.gz	DIYUZUQWQASFEA-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
CCC(CC)CN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595030533	979168034	/nfs/dbraw/zinc/16/80/34/979168034.db2.gz	RBRIGHYCCUNRNZ-UHFFFAOYSA-N	-1	0	268.744	3.872	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCCF)cc1F	ZINC000835009543	979244208	/nfs/dbraw/zinc/24/42/08/979244208.db2.gz	VBNLFTKYPPVIAQ-JTQLQIEISA-N	-1	0	296.317	3.842	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009663	979244252	/nfs/dbraw/zinc/24/42/52/979244252.db2.gz	AKYLTEHXJGJPLC-UHFFFAOYSA-N	-1	0	298.383	3.843	20	30		CHEDRM
C=CCCCCCNC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000848877630	979482612	/nfs/dbraw/zinc/48/26/12/979482612.db2.gz	CRKZFCHXFUUAEY-UHFFFAOYSA-N	-1	0	295.766	3.514	20	30		CHEDRM
CC1(C)CCC/C(=C/c2ccc(C(=O)[O-])c(F)c2)C1=O	ZINC000849246637	979490414	/nfs/dbraw/zinc/49/04/14/979490414.db2.gz	JJIBDURVBRKIPB-FLIBITNWSA-N	-1	0	276.307	3.687	20	30		CHEDRM
CCCCCCC[C@@H](C)CNc1ccc(C(=O)[O-])nn1	ZINC001595704957	982281860	/nfs/dbraw/zinc/28/18/60/982281860.db2.gz	LZCDQQXJOZFTLG-GFCCVEGCSA-N	-1	0	279.384	3.583	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2\Cc3c(cccc3Cl)C2=O)cc1	ZINC000921263664	982696513	/nfs/dbraw/zinc/69/65/13/982696513.db2.gz	IJAFHTMJSARFRE-XYOKQWHBSA-N	-1	0	298.725	3.861	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1	ZINC001596058033	983364439	/nfs/dbraw/zinc/36/44/39/983364439.db2.gz	DFBRZMWNUVJOSK-NTMALXAHSA-N	-1	0	284.311	3.826	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cc1	ZINC001596058247	983365235	/nfs/dbraw/zinc/36/52/35/983365235.db2.gz	HMBQWWZHVZZHCG-JXMROGBWSA-N	-1	0	297.354	3.572	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl	ZINC001588534707	983586689	/nfs/dbraw/zinc/58/66/89/983586689.db2.gz	CAYZOJRDZSMKQY-VIFPVBQESA-N	-1	0	295.766	3.887	20	30		CHEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001588537360	983599418	/nfs/dbraw/zinc/59/94/18/983599418.db2.gz	NMKNJUXUBQJYQP-HUUCEWRRSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C(C)C[C@H](Nc1ncnc2ccc(C(C)C)cc21)C(=O)[O-]	ZINC001588555050	983633065	/nfs/dbraw/zinc/63/30/65/983633065.db2.gz	XWLUKKMTGWBTAE-HNNXBMFYSA-N	-1	0	299.374	3.585	20	30		CHEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCC1(C#N)CCC1	ZINC001588576977	983654985	/nfs/dbraw/zinc/65/49/85/983654985.db2.gz	JJMVYXNUZFFRBF-UHFFFAOYSA-N	-1	0	285.343	3.576	20	30		CHEDRM
C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c1	ZINC001588605528	983693213	/nfs/dbraw/zinc/69/32/13/983693213.db2.gz	KVCLJCIUHSOMNW-WMHQRMGPSA-N	-1	0	271.360	3.631	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001588605806	983694717	/nfs/dbraw/zinc/69/47/17/983694717.db2.gz	NQSXQSJMMXBNBW-UHFFFAOYSA-N	-1	0	293.388	3.648	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCCCC)C(C)(C)C	ZINC001588622286	983722933	/nfs/dbraw/zinc/72/29/33/983722933.db2.gz	TXECRBGDHLGFDG-ZDUSSCGKSA-N	-1	0	283.412	3.519	20	30		CHEDRM
C=C1CCC(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC001588649995	983771208	/nfs/dbraw/zinc/77/12/08/983771208.db2.gz	RFQICODPCMABDH-UHFFFAOYSA-N	-1	0	294.734	3.690	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-]	ZINC001588691143	983878406	/nfs/dbraw/zinc/87/84/06/983878406.db2.gz	SGSBLGDJCBZVDU-QMMMGPOBSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)[O-]	ZINC001588702756	983921590	/nfs/dbraw/zinc/92/15/90/983921590.db2.gz	XMBCFJNGERBLAO-ZDUSSCGKSA-N	-1	0	267.284	3.637	20	30		CHEDRM
C=CC1(CC(=O)OCc2ccc(C(=O)[O-])o2)CCCCC1	ZINC001588719477	983961040	/nfs/dbraw/zinc/96/10/40/983961040.db2.gz	ULCIOSCLNQQPBH-UHFFFAOYSA-N	-1	0	292.331	3.548	20	30		CHEDRM
C=CC[C@@H](C(=O)[O-])N1C[C@@H](C(C)(C)C)Cc2ccccc21	ZINC001588728460	983982725	/nfs/dbraw/zinc/98/27/25/983982725.db2.gz	KDEUKLUXARTYCL-HOCLYGCPSA-N	-1	0	287.403	3.741	20	30		CHEDRM
C=CC[C@@H](SCCCCc1ccccc1)C(=O)[O-]	ZINC001588758715	984107451	/nfs/dbraw/zinc/10/74/51/984107451.db2.gz	ISQKOLZUQIISSI-CQSZACIVSA-N	-1	0	264.390	3.772	20	30		CHEDRM
C=CC[C@@H](Sc1cc(C)c2ccccc2n1)C(=O)[O-]	ZINC001588759305	984110835	/nfs/dbraw/zinc/11/08/35/984110835.db2.gz	ROQDRYSDPOMQTN-CYBMUJFWSA-N	-1	0	273.357	3.665	20	30		CHEDRM
C=CCC1(C(=O)Nc2scc(C(=O)[O-])c2C)CCCC1	ZINC001588765124	984124892	/nfs/dbraw/zinc/12/48/92/984124892.db2.gz	RBGUUAURUKOZRT-UHFFFAOYSA-N	-1	0	293.388	3.830	20	30		CHEDRM
C=CC[C@@H]1CC[C@H](Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC001588770640	984135060	/nfs/dbraw/zinc/13/50/60/984135060.db2.gz	BRHPDTLLOAODCH-YPMHNXCESA-N	-1	0	275.348	3.550	20	30		CHEDRM
C=CCC1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCCC1	ZINC001588771031	984137389	/nfs/dbraw/zinc/13/73/89/984137389.db2.gz	MKTCIRKRYSHQTN-UHFFFAOYSA-N	-1	0	298.342	3.823	20	30		CHEDRM
C=CCCC[C@H](C)OC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588784800	984178532	/nfs/dbraw/zinc/17/85/32/984178532.db2.gz	BMSNUVIOZDNACF-IGEOTXOUSA-N	-1	0	294.391	3.700	20	30		CHEDRM
C=CCCCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588798570	984237186	/nfs/dbraw/zinc/23/71/86/984237186.db2.gz	KJYLLNIYWOWWPI-LSDHHAIUSA-N	-1	0	295.423	3.520	20	30		CHEDRM
C=CCCCN(CC)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588801741	984247591	/nfs/dbraw/zinc/24/75/91/984247591.db2.gz	YHHHBSIQDBCVJA-UHFFFAOYSA-N	-1	0	290.363	3.513	20	30		CHEDRM
C=CCCc1ccccc1NCc1nc(C(=O)[O-])cs1	ZINC001588817720	984277103	/nfs/dbraw/zinc/27/71/03/984277103.db2.gz	SONWIIPONXJZMQ-UHFFFAOYSA-N	-1	0	288.372	3.572	20	30		CHEDRM
CC(=NNc1ccc(F)c(C(=O)[O-])c1)c1cc(C)oc1C	ZINC001589016435	984995400	/nfs/dbraw/zinc/99/54/00/984995400.db2.gz	MWYIRQJEDCUJFQ-UHFFFAOYSA-N	-1	0	290.294	3.570	20	30		CHEDRM
CC(C)(CC#N)CSCc1ccccc1C(=O)[O-]	ZINC001590617085	990296143	/nfs/dbraw/zinc/29/61/43/990296143.db2.gz	ZAOAIMNFFAAMAX-UHFFFAOYSA-N	-1	0	263.362	3.558	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000182645796	1120121565	/nfs/dbraw/zinc/12/15/65/1120121565.db2.gz	ABLZGDHNUZIPSZ-SNVBAGLBSA-N	-1	0	267.756	3.520	20	30		CHEDRM
C[C@H](NN=C1CCC[C@@H](CCCC(=O)[O-])C1)C(C)(C)C	ZINC001593318168	994828735	/nfs/dbraw/zinc/82/87/35/994828735.db2.gz	BLQRDAJFKVFJNZ-STQMWFEESA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@@H]1CCC[C@@H](CN=Nc2cccc(F)c2C(=O)[O-])C1	ZINC001594345150	999305259	/nfs/dbraw/zinc/30/52/59/999305259.db2.gz	NPIAHLHMFMPFKN-GHMZBOCLSA-N	-1	0	278.327	3.748	20	30		CHEDRM
C[C@H]1CCC[C@H](CN=Nc2cccc(F)c2C(=O)[O-])C1	ZINC001594345152	999305352	/nfs/dbraw/zinc/30/53/52/999305352.db2.gz	NPIAHLHMFMPFKN-QWRGUYRKSA-N	-1	0	278.327	3.748	20	30		CHEDRM
C#CC(C)(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-]	ZINC001182636282	1122179572	/nfs/dbraw/zinc/17/95/72/1122179572.db2.gz	NQGURKXCCMUTKM-UHFFFAOYSA-N	-1	0	286.158	3.605	20	30		CHEDRM
Cc1ccc(F)cc1C=CC(=O)c1sccc1[O-]	ZINC000773150579	1131964936	/nfs/dbraw/zinc/96/49/36/1131964936.db2.gz	REYGFIJSXQEQQA-HYXAFXHYSA-N	-1	0	262.305	3.797	20	30		CHEDRM
O=C(/C=C/c1ccc(Cl)c(F)c1)c1ccc(O)cc1[O-]	ZINC000757467899	1125755071	/nfs/dbraw/zinc/75/50/71/1125755071.db2.gz	OBEXBROIZQCMJD-QHHAFSJGSA-N	-1	0	292.693	3.786	20	30		CHEDRM
O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(F)cc1[O-]	ZINC000757475042	1125769800	/nfs/dbraw/zinc/76/98/00/1125769800.db2.gz	GBIRNKLDWMHAFE-YVMONPNESA-N	-1	0	296.297	3.746	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NNCC1(C)CCCC1	ZINC000814938089	1130940317	/nfs/dbraw/zinc/94/03/17/1130940317.db2.gz	VONGZBLJJFKQHO-UHFFFAOYSA-N	-1	0	282.428	3.957	20	30		CHEDRM
C=CCC(CC=C)C(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000910969647	1127075741	/nfs/dbraw/zinc/07/57/41/1127075741.db2.gz	GWWSIGXABXKCTK-UHFFFAOYSA-N	-1	0	287.359	3.506	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc2occc2c1	ZINC000349108066	1127140869	/nfs/dbraw/zinc/14/08/69/1127140869.db2.gz	KQDOONSIYMPXGG-RJRFIUFISA-N	-1	0	290.278	3.568	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c([O-])c1	ZINC000156704394	1127166297	/nfs/dbraw/zinc/16/62/97/1127166297.db2.gz	NFZVDWVLYKZSGC-HWKANZROSA-N	-1	0	289.312	3.566	20	30		CHEDRM
N#CCc1c[nH]c2cc(-c3cccc(C(=O)[O-])c3)ccc12	ZINC000592968354	1127363892	/nfs/dbraw/zinc/36/38/92/1127363892.db2.gz	LRFPLENZCQRFQK-UHFFFAOYSA-N	-1	0	276.295	3.599	20	30		CHEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000046927406	1127467812	/nfs/dbraw/zinc/46/78/12/1127467812.db2.gz	PKIYAGLNKLTZHY-CYBMUJFWSA-N	-1	0	297.420	3.857	20	30		CHEDRM
CCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@@H]1C(C)C	ZINC000601950505	1127553312	/nfs/dbraw/zinc/55/33/12/1127553312.db2.gz	VGONQBQMUOJXEI-CQSZACIVSA-N	-1	0	289.766	3.596	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ccoc2C(C)C)n1	ZINC000361648648	1127579368	/nfs/dbraw/zinc/57/93/68/1127579368.db2.gz	TXGQGZJHBWGRDW-NSHDSACASA-N	-1	0	274.345	3.658	20	30		CHEDRM
C=CCCCSc1n[n-]c(=Nc2ccccc2)s1	ZINC000605076693	1127727929	/nfs/dbraw/zinc/72/79/29/1127727929.db2.gz	VIWAKIXAPWVLSL-UHFFFAOYSA-N	-1	0	277.418	3.762	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)C(C)C	ZINC000172018988	1127741600	/nfs/dbraw/zinc/74/16/00/1127741600.db2.gz	WUBZSLYQZHEWIH-RISCZKNCSA-N	-1	0	296.370	3.660	20	30		CHEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1F	ZINC000176404476	1128082109	/nfs/dbraw/zinc/08/21/09/1128082109.db2.gz	WISBIOUJXSQBAO-NSHDSACASA-N	-1	0	298.317	3.535	20	30		CHEDRM
O=C(/C=C/c1ccc(Cl)nc1Cl)c1ccccc1[O-]	ZINC000761478353	1128110580	/nfs/dbraw/zinc/11/05/80/1128110580.db2.gz	DQINJWHEKWFRDS-FNORWQNLSA-N	-1	0	294.137	3.990	20	30		CHEDRM
CCCCCCCCSc1nc2[nH]ncc2c(=O)[nH]1	ZINC000915794625	1128339027	/nfs/dbraw/zinc/33/90/27/1128339027.db2.gz	FSRNVUCQQQRJDE-UHFFFAOYSA-N	-1	0	280.397	3.511	20	30		CHEDRM
CC(=NNc1ccc(Cl)cc1)c1ccc(C(=O)[O-])cc1	ZINC000915933333	1128396589	/nfs/dbraw/zinc/39/65/89/1128396589.db2.gz	TWSBTLKQECRSFE-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1C	ZINC000915988617	1128401820	/nfs/dbraw/zinc/40/18/20/1128401820.db2.gz	XOTTUHZTYLCQDP-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1C	ZINC000915988464	1128401905	/nfs/dbraw/zinc/40/19/05/1128401905.db2.gz	XAZLQZIYEXVHIL-YFHOEESVSA-N	-1	0	294.350	3.827	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000041546270	1128547250	/nfs/dbraw/zinc/54/72/50/1128547250.db2.gz	ABFZFUPRSTXVMS-JTQLQIEISA-N	-1	0	282.324	3.688	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C[C@H]1CCCCO1	ZINC000920387519	1128679873	/nfs/dbraw/zinc/67/98/73/1128679873.db2.gz	QQVRMHTXKQXXNS-CRZGJZTJSA-N	-1	0	288.174	3.687	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCCc3ccccc32)c1	ZINC000920943081	1128695645	/nfs/dbraw/zinc/69/56/45/1128695645.db2.gz	MOZDRIVQEHYPIS-CJMVGXJBSA-N	-1	0	296.326	3.797	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccc(Cl)c(F)c2)c1	ZINC000921253042	1128704057	/nfs/dbraw/zinc/70/40/57/1128704057.db2.gz	IDGPMMBHLOGPFS-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](CCC)c1ccccc1	ZINC000048552179	1128716378	/nfs/dbraw/zinc/71/63/78/1128716378.db2.gz	XANKAULAHMVEAM-CQSZACIVSA-N	-1	0	297.420	3.657	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000049501729	1117754934	/nfs/dbraw/zinc/75/49/34/1117754934.db2.gz	VEWIRIWDELTSCJ-UHFFFAOYSA-N	-1	0	289.422	3.590	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000671278961	1117790697	/nfs/dbraw/zinc/79/06/97/1117790697.db2.gz	RBVLCUSYZYXTIC-AWEZNQCLSA-N	-1	0	290.322	3.935	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCCOC1	ZINC000193680190	1128747476	/nfs/dbraw/zinc/74/74/76/1128747476.db2.gz	QLAOWSRSUJMFAC-UVSFYCKTSA-N	-1	0	288.174	3.545	20	30		CHEDRM
N#Cc1ncccc1Nc1c(Cl)ccc([O-])c1Cl	ZINC001210146927	1118169175	/nfs/dbraw/zinc/16/91/75/1118169175.db2.gz	JFWIEPYATBYYSV-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
Cc1cc(Nc2cc([O-])c(Cl)cc2F)cnc1C#N	ZINC001210205090	1118196262	/nfs/dbraw/zinc/19/62/62/1118196262.db2.gz	AFAIGQKTFNBVKE-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
N#Cc1ccc(-c2cc(F)c([O-])cc2F)c2cc[nH]c21	ZINC001211351743	1118507359	/nfs/dbraw/zinc/50/73/59/1118507359.db2.gz	BMQUCEHPRQFEBI-UHFFFAOYSA-N	-1	0	270.238	3.690	20	30		CHEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430593866	1118581390	/nfs/dbraw/zinc/58/13/90/1118581390.db2.gz	JUJWUFOBBZEIOG-JTQLQIEISA-N	-1	0	287.388	3.567	20	30		CHEDRM
CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000076910488	1128793030	/nfs/dbraw/zinc/79/30/30/1128793030.db2.gz	RKWJFAXKMHROGA-LBPRGKRZSA-N	-1	0	277.430	3.535	20	30		CHEDRM
CC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011536	1118767368	/nfs/dbraw/zinc/76/73/68/1118767368.db2.gz	HDMRSCKDKBTCBB-SECBINFHSA-N	-1	0	264.300	3.502	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728438976	1118947331	/nfs/dbraw/zinc/94/73/31/1118947331.db2.gz	SFZJDECPJYLPJY-VURMDHGXSA-N	-1	0	256.276	3.736	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(F)c(F)c1	ZINC000255486295	1119014113	/nfs/dbraw/zinc/01/41/13/1119014113.db2.gz	OARGBBFNWZRHSW-RJRFIUFISA-N	-1	0	296.219	3.845	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(C#N)cc2F)cc(C(=O)[O-])c1	ZINC001211543216	1119063628	/nfs/dbraw/zinc/06/36/28/1119063628.db2.gz	ZLEZYBOGKIMGJG-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(Nc2cc(Cl)cc(C#N)c2)cc(C(=O)[O-])c1	ZINC001211547214	1119099876	/nfs/dbraw/zinc/09/98/76/1119099876.db2.gz	KIRIITQKLKVADP-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(C#N)cc2C)cc(C(=O)[O-])c1	ZINC001211547514	1119101711	/nfs/dbraw/zinc/10/17/11/1119101711.db2.gz	RKENWTHPKURPCO-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
C#CCCCCCC(=O)Nc1cccc(Cl)c1[O-]	ZINC000780505088	1119279505	/nfs/dbraw/zinc/27/95/05/1119279505.db2.gz	DFLHGZLNOJDDKC-UHFFFAOYSA-N	-1	0	265.740	3.568	20	30		CHEDRM
CC=C(CC)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000588569455	1119319501	/nfs/dbraw/zinc/31/95/01/1119319501.db2.gz	YDOCXHIUCGEDGN-VQEQIULKSA-N	-1	0	294.354	3.724	20	30		CHEDRM
Cc1ccc(Nc2c(C#N)ccc(F)c2F)cc1C(=O)[O-]	ZINC001211608419	1119466657	/nfs/dbraw/zinc/46/66/57/1119466657.db2.gz	VFZUJYAGKHBKET-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(Cl)cc(C#N)c1	ZINC001211624711	1119615277	/nfs/dbraw/zinc/61/52/77/1119615277.db2.gz	RMJFRZKVVKSRSS-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nc1C	ZINC000647380207	1119712767	/nfs/dbraw/zinc/71/27/67/1119712767.db2.gz	UNQUOZQVDYQTGL-LBPRGKRZSA-N	-1	0	297.383	3.522	20	30		CHEDRM
CCSc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188407057	1119749491	/nfs/dbraw/zinc/74/94/91/1119749491.db2.gz	VJNQISVKQIOVPM-UHFFFAOYSA-N	-1	0	298.367	3.628	20	30		CHEDRM
C=CC[C@@H](C(=O)[N-]OC1CCCCC1)c1ccccc1	ZINC000779322800	1128871731	/nfs/dbraw/zinc/87/17/31/1128871731.db2.gz	DAFITGCNAGJAAV-MRXNPFEDSA-N	-1	0	273.376	3.727	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077881530	1128879548	/nfs/dbraw/zinc/87/95/48/1128879548.db2.gz	HNSIGAGIVQSSQH-LBPRGKRZSA-N	-1	0	283.393	3.614	20	30		CHEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1cccc(F)c1	ZINC000255900912	1119978435	/nfs/dbraw/zinc/97/84/35/1119978435.db2.gz	XFSRPTVFWRDIMQ-XQRVVYSFSA-N	-1	0	260.239	3.567	20	30		CHEDRM
CCCCS(=O)(=O)[N-]C(=O)CCCC1CCCCC1	ZINC000069574705	1128884787	/nfs/dbraw/zinc/88/47/87/1128884787.db2.gz	AXTFZTNMLJWERX-UHFFFAOYSA-N	-1	0	289.441	3.823	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(Cl)cc2)c1	ZINC000765826700	1120113146	/nfs/dbraw/zinc/11/31/46/1120113146.db2.gz	SHAMBMCUAXVQPX-WTKPLQERSA-N	-1	0	286.714	3.934	20	30		CHEDRM
Cc1coc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000892800559	1120144887	/nfs/dbraw/zinc/14/48/87/1120144887.db2.gz	CJQBLKQBHPADPB-JTQLQIEISA-N	-1	0	274.345	3.658	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc3cccc(C)c3o2)n1	ZINC000146845927	1120174013	/nfs/dbraw/zinc/17/40/13/1120174013.db2.gz	PWMAYMHSMHKZKD-GFCCVEGCSA-N	-1	0	296.351	3.996	20	30		CHEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CCC)cc1	ZINC000076762620	1120295005	/nfs/dbraw/zinc/29/50/05/1120295005.db2.gz	UYWUVFCHDPRFBN-LBPRGKRZSA-N	-1	0	297.420	3.721	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])c(C)c1	ZINC001211660897	1120665797	/nfs/dbraw/zinc/66/57/97/1120665797.db2.gz	RFKWTUCZMXCBCM-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccccn1	ZINC000005227330	1120979261	/nfs/dbraw/zinc/97/92/61/1120979261.db2.gz	VHRIFBPCNXGLAV-FRKPEAEDSA-N	-1	0	281.142	3.713	20	30		CHEDRM
N#Cc1c(Nc2ccc(C(=O)[O-])s2)sc2c1CCC2	ZINC001174805669	1121054629	/nfs/dbraw/zinc/05/46/29/1121054629.db2.gz	HFGBTZKTRQNTDU-UHFFFAOYSA-N	-1	0	290.369	3.612	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000006338238	1121075036	/nfs/dbraw/zinc/07/50/36/1121075036.db2.gz	BSLRAXYXGADQNG-IZZDOVSWSA-N	-1	0	266.296	3.589	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953288	1121109405	/nfs/dbraw/zinc/10/94/05/1121109405.db2.gz	OEVLAUWTCPKUOW-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
CCOc1cc(F)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175006033	1121130307	/nfs/dbraw/zinc/13/03/07/1121130307.db2.gz	SNRRUGHCYYKJGL-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(C(=O)[O-])ccc2C)cc1F	ZINC001174986998	1121142853	/nfs/dbraw/zinc/14/28/53/1121142853.db2.gz	XNJLBKAUFWMYPD-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CCOc1ccc(F)c(Nc2scc([O-])c2C#N)c1F	ZINC001175036953	1121154121	/nfs/dbraw/zinc/15/41/21/1121154121.db2.gz	JAXCECSNWJHTFH-UHFFFAOYSA-N	-1	0	296.298	3.746	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(C)C	ZINC000126026499	1121163306	/nfs/dbraw/zinc/16/33/06/1121163306.db2.gz	ULOAOMRISYXBLO-AWEZNQCLSA-N	-1	0	296.370	3.804	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001175221360	1121229220	/nfs/dbraw/zinc/22/92/20/1121229220.db2.gz	DPWODQWYGYQMBG-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CCCOc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001175598099	1121379008	/nfs/dbraw/zinc/37/90/08/1121379008.db2.gz	IJPJNSHKCLENHX-UHFFFAOYSA-N	-1	0	274.345	3.858	20	30		CHEDRM
CCCOc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175600017	1121380728	/nfs/dbraw/zinc/38/07/28/1121380728.db2.gz	QJDMMBLFXZMYLZ-UHFFFAOYSA-N	-1	0	286.306	3.935	20	30		CHEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccc(C)c1)CC2	ZINC000141558667	1121478428	/nfs/dbraw/zinc/47/84/28/1121478428.db2.gz	ZXGLVOFXPFABJS-LCYFTJDESA-N	-1	0	296.322	3.807	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)co1	ZINC000682001935	1121478858	/nfs/dbraw/zinc/47/88/58/1121478858.db2.gz	DURBJZUGIAOFBP-AWEZNQCLSA-N	-1	0	276.295	3.626	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)o1	ZINC000429347779	1121535864	/nfs/dbraw/zinc/53/58/64/1121535864.db2.gz	UTEDPACACRLIHJ-LLVKDONJSA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1noc([N-]c2c(F)ccc3ccc(C)nc32)c1C#N	ZINC001176113766	1121555051	/nfs/dbraw/zinc/55/50/51/1121555051.db2.gz	NHOMGIPDIWFFCX-UHFFFAOYSA-N	-1	0	282.278	3.594	20	30		CHEDRM
N#Cc1cc(Nc2cccc(Cl)c2)c([O-])cc1F	ZINC001176223014	1121580430	/nfs/dbraw/zinc/58/04/30/1121580430.db2.gz	DIIUBQXPXIAFNA-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1csc(C(=O)[O-])c1	ZINC001176439072	1121622773	/nfs/dbraw/zinc/62/27/73/1121622773.db2.gz	IVFAIBAFBBTJQH-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(F)c1	ZINC001176589197	1121648895	/nfs/dbraw/zinc/64/88/95/1121648895.db2.gz	FAICUISQGXDCMJ-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176673347	1121673309	/nfs/dbraw/zinc/67/33/09/1121673309.db2.gz	TTYNQFBQKCSRBV-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
CC[C@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000727781588	1121740239	/nfs/dbraw/zinc/74/02/39/1121740239.db2.gz	QVXJQQKMSVXFJA-PWDRBQJJSA-N	-1	0	298.342	3.741	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1F	ZINC000731490374	1121870162	/nfs/dbraw/zinc/87/01/62/1121870162.db2.gz	VVBOIPBDWIULIC-SNAWJCMRSA-N	-1	0	290.315	3.790	20	30		CHEDRM
C[C@]1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CCOC1	ZINC000733081208	1121956318	/nfs/dbraw/zinc/95/63/18/1121956318.db2.gz	QXASPCSPVRWMOH-JWYAVWBNSA-N	-1	0	288.174	3.545	20	30		CHEDRM
C=CCSCC(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001180560585	1121999536	/nfs/dbraw/zinc/99/95/36/1121999536.db2.gz	TZASZTVYFSCDDZ-UHFFFAOYSA-N	-1	0	292.187	3.557	20	30		CHEDRM
N#CC1(CC(=O)Nc2ccccc2[S-])CCCCC1	ZINC001181362286	1122050187	/nfs/dbraw/zinc/05/01/87/1122050187.db2.gz	DLOFXRUONGOZPG-UHFFFAOYSA-N	-1	0	274.389	3.778	20	30		CHEDRM
COc1cc(C)ccc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774115115	1122125527	/nfs/dbraw/zinc/12/55/27/1122125527.db2.gz	NNRXNDPNKAMJIX-CLFYSBASSA-N	-1	0	296.322	3.598	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2c[nH]c3ccccc23)c1	ZINC000774117186	1122127854	/nfs/dbraw/zinc/12/78/54/1122127854.db2.gz	CMTJIWRXLZPLIL-HJWRWDBZSA-N	-1	0	291.306	3.762	20	30		CHEDRM
C[C@H](C#N)c1ccc(NC(=O)Cc2ccc([S-])cc2)cc1	ZINC001183190018	1122210449	/nfs/dbraw/zinc/21/04/49/1122210449.db2.gz	YRZFWFXRECJPGG-GFCCVEGCSA-N	-1	0	296.395	3.784	20	30		CHEDRM
CCCCN(O)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001184315182	1122268442	/nfs/dbraw/zinc/26/84/42/1122268442.db2.gz	SNXSZRMPEWWWMH-UHFFFAOYSA-N	-1	0	293.750	3.830	20	30		CHEDRM
C=CC[C@@H]1N(C(=O)c2c([O-])cccc2F)CCCC1(C)C	ZINC000436818536	1122584594	/nfs/dbraw/zinc/58/45/94/1122584594.db2.gz	VREQIAQGFAVNOP-AWEZNQCLSA-N	-1	0	291.366	3.738	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000436994791	1122601381	/nfs/dbraw/zinc/60/13/81/1122601381.db2.gz	FYTAQEXUTCXHOE-SECBINFHSA-N	-1	0	285.746	3.659	20	30		CHEDRM
N#Cc1ccc2c(c1)nccc2-c1ccsc1C(=O)[O-]	ZINC001205580101	1122629638	/nfs/dbraw/zinc/62/96/38/1122629638.db2.gz	SUJDHFRCDUMLFY-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
C=CCN(C(=O)c1c(F)ccc(F)c1[O-])C1CCCCC1	ZINC001192706899	1122657009	/nfs/dbraw/zinc/65/70/09/1122657009.db2.gz	QCLQUDHGANVMTD-UHFFFAOYSA-N	-1	0	295.329	3.631	20	30		CHEDRM
N#Cc1c([O-])csc1NC(=O)Oc1ccc(Cl)cc1	ZINC001194032689	1122741208	/nfs/dbraw/zinc/74/12/08/1122741208.db2.gz	BULMQVDXVOPNOS-UHFFFAOYSA-N	-1	0	294.719	3.590	20	30		CHEDRM
C=CCOC(=O)Nc1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001194323400	1122765661	/nfs/dbraw/zinc/76/56/61/1122765661.db2.gz	CLCCKKADWXWONS-CYBMUJFWSA-N	-1	0	291.347	3.635	20	30		CHEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ccc1F	ZINC001250636154	1122867095	/nfs/dbraw/zinc/86/70/95/1122867095.db2.gz	SHLHVBWWMVZGSK-UHFFFAOYSA-N	-1	0	275.666	3.716	20	30		CHEDRM
Cc1cc(-c2ccc(F)c(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001250637729	1122869162	/nfs/dbraw/zinc/86/91/62/1122869162.db2.gz	PPSULCWMYPGUPE-UHFFFAOYSA-N	-1	0	269.275	3.679	20	30		CHEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2)cc(C)c1C#N	ZINC000519772173	1123023983	/nfs/dbraw/zinc/02/39/83/1123023983.db2.gz	KMTXBNUJMFLRLB-UHFFFAOYSA-N	-1	0	251.285	3.540	20	30		CHEDRM
COc1cccc(OC)c1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000776190185	1123109224	/nfs/dbraw/zinc/10/92/24/1123109224.db2.gz	PJOQSZDOCRKLBQ-KTKRTIGZSA-N	-1	0	298.338	3.614	20	30		CHEDRM
C[C@@H](Oc1ccc2nc(C#N)sc2c1)C1=CC=C[CH]1	ZINC001226671635	1123231332	/nfs/dbraw/zinc/23/13/32/1123231332.db2.gz	KHYADMOKBLRLTI-SNVBAGLBSA-N	-1	0	267.333	3.636	20	30		CHEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000046927962	1123237898	/nfs/dbraw/zinc/23/78/98/1123237898.db2.gz	FAQKTDUECCIIIQ-CYBMUJFWSA-N	-1	0	297.420	3.857	20	30		CHEDRM
CC1(C)C(N=Nc2ccc(CC(=O)[O-])cc2)[C@H]2CCC[C@H]21	ZINC000853370861	1123436987	/nfs/dbraw/zinc/43/69/87/1123436987.db2.gz	YRZOOGUDHJXJME-UONOGXRCSA-N	-1	0	286.375	3.538	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccc(Cl)cn1	ZINC000853435873	1123440371	/nfs/dbraw/zinc/44/03/71/1123440371.db2.gz	UHIDFTOFCKRCHJ-UHFFFAOYSA-N	-1	0	297.786	3.948	20	30		CHEDRM
C[C@@H]1C[C@@H](C([O-])=Nc2cccc(-c3cnco3)c2)CC(=O)N1	ZINC000329433053	1123611444	/nfs/dbraw/zinc/61/14/44/1123611444.db2.gz	KZYIRWJMTPQSHP-ZYHUDNBSSA-N	-1	0	299.330	3.685	20	30		CHEDRM
CCOc1ccc(/C=C\C(=O)c2ccc(OC)cc2[O-])cc1	ZINC000143162548	1123745406	/nfs/dbraw/zinc/74/54/06/1123745406.db2.gz	FNQKIOZMRZIZTJ-WDZFZDKYSA-N	-1	0	298.338	3.696	20	30		CHEDRM
Cc1c(N=NC(C)C2CC(F)(F)C2)cccc1C(=O)[O-]	ZINC000863124472	1123846184	/nfs/dbraw/zinc/84/61/84/1123846184.db2.gz	WQDVTENLIWMIRU-UHFFFAOYSA-N	-1	0	282.290	3.526	20	30		CHEDRM
CCO[C@@]1(C)C[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000864345786	1123924516	/nfs/dbraw/zinc/92/45/16/1123924516.db2.gz	GCMCEPOPIJPUPF-LRWXDMTKSA-N	-1	0	288.174	3.685	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CCC[C@H]2CCF)ccc1Cl	ZINC000794854577	1123999080	/nfs/dbraw/zinc/99/90/80/1123999080.db2.gz	IHYJQZOPMAVYSL-VIFPVBQESA-N	-1	0	298.745	3.966	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1sccc1Cl	ZINC000447352861	1124468621	/nfs/dbraw/zinc/46/86/21/1124468621.db2.gz	CIMGHUSHEVHXOI-ARJAWSKDSA-N	-1	0	290.731	3.537	20	30		CHEDRM
Oc1ccc(Cl)cc1/C=N/CCc1nc2ccccc2[nH]1	ZINC000017309345	1124494418	/nfs/dbraw/zinc/49/44/18/1124494418.db2.gz	AYVMGRLHZXTJQD-VCHYOVAHSA-N	-1	0	299.761	3.584	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])cc3F)ccc12	ZINC001239262409	1131308701	/nfs/dbraw/zinc/30/87/01/1131308701.db2.gz	ROEBLSXKDGPBAT-UHFFFAOYSA-N	-1	0	280.258	3.544	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239254892	1131307667	/nfs/dbraw/zinc/30/76/67/1131307667.db2.gz	SSEXSUUWXWLVNR-UHFFFAOYSA-N	-1	0	298.317	3.755	20	30		CHEDRM
N#CCCc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1	ZINC001239257057	1131307983	/nfs/dbraw/zinc/30/79/83/1131307983.db2.gz	QJLPZOPGUDEKTD-UHFFFAOYSA-N	-1	0	269.275	3.647	20	30		CHEDRM
Cc1cocc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000529008518	1124877345	/nfs/dbraw/zinc/87/73/45/1124877345.db2.gz	KFNXCEQVZJOLEY-JTQLQIEISA-N	-1	0	288.372	3.832	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3cc(F)c(C(=O)[O-])c(F)c3)ccc12	ZINC001239352606	1131320984	/nfs/dbraw/zinc/32/09/84/1131320984.db2.gz	FRDFPORDFUWHCI-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#CCc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1F	ZINC001239352445	1131321350	/nfs/dbraw/zinc/32/13/50/1131321350.db2.gz	CLBXUBWQRSHCMR-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C=C(C)[C@@H](N=c1[n-]nc(C(C)C)o1)c1ccc(F)c(F)c1	ZINC000450462138	1125029421	/nfs/dbraw/zinc/02/94/21/1125029421.db2.gz	YTDYBRAGKOAJKP-CYBMUJFWSA-N	-1	0	293.317	3.622	20	30		CHEDRM
N#Cc1sccc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214738129	1129411637	/nfs/dbraw/zinc/41/16/37/1129411637.db2.gz	AALMPYXOFZCMQX-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
CC[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000740763282	1129419082	/nfs/dbraw/zinc/41/90/82/1129419082.db2.gz	FGKDOUKMUXFLBT-RBFMNBHSSA-N	-1	0	276.336	3.688	20	30		CHEDRM
Cc1ccc([C@H](C)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000737440105	1129447810	/nfs/dbraw/zinc/44/78/10/1129447810.db2.gz	CBYDJXPIULAXJS-VBEHJTROSA-N	-1	0	298.342	3.831	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1	ZINC000741845670	1129455965	/nfs/dbraw/zinc/45/59/65/1129455965.db2.gz	VIEUCVCOPHQGGB-QJLVKKIYSA-N	-1	0	288.347	3.688	20	30		CHEDRM
CCC(CC)(C/N=C\c1cc([N+](=O)[O-])ccc1[O-])SC	ZINC000743044025	1129512297	/nfs/dbraw/zinc/51/22/97/1129512297.db2.gz	CSQQFYGQMOUXOS-DHDCSXOGSA-N	-1	0	296.392	3.641	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)ccc1C#N	ZINC000766491410	1129670133	/nfs/dbraw/zinc/67/01/33/1129670133.db2.gz	OSRQEFCFILDNTD-HWKANZROSA-N	-1	0	297.335	3.523	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212591324	1129737588	/nfs/dbraw/zinc/73/75/88/1129737588.db2.gz	GQPOADPWMGAKMQ-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
O=C(/C=C/c1ccc(F)cc1Cl)c1ccc(O)cc1[O-]	ZINC000767727773	1129809840	/nfs/dbraw/zinc/80/98/40/1129809840.db2.gz	CDXLDSZUTUFSJU-QHHAFSJGSA-N	-1	0	292.693	3.786	20	30		CHEDRM
N#Cc1csc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000119256462	1129847813	/nfs/dbraw/zinc/84/78/13/1129847813.db2.gz	KIUNAKRSQKOYOL-DUXPYHPUSA-N	-1	0	289.743	3.875	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CC[C@@H]1c1ccccc1	ZINC000769778664	1129922940	/nfs/dbraw/zinc/92/29/40/1129922940.db2.gz	VDODXDCCKHJHEK-CYBMUJFWSA-N	-1	0	280.327	3.730	20	30		CHEDRM
CC(=NNc1cc(C)ccc1C)c1sccc1[O-]	ZINC000769781714	1129924985	/nfs/dbraw/zinc/92/49/85/1129924985.db2.gz	NUHASCYWLVBHOB-UHFFFAOYSA-N	-1	0	260.362	3.907	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2s1	ZINC000802035853	1129968267	/nfs/dbraw/zinc/96/82/67/1129968267.db2.gz	MGWMDZNHOXJCTK-KRZKBDHCSA-N	-1	0	293.351	3.514	20	30		CHEDRM
O=C(C=Cc1ccc(F)cc1F)c1sccc1[O-]	ZINC000771744169	1129988300	/nfs/dbraw/zinc/98/83/00/1129988300.db2.gz	ITXCWDFHELKVRE-DUXPYHPUSA-N	-1	0	266.268	3.628	20	30		CHEDRM
N#CCc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c(F)c1	ZINC001206031088	1129988629	/nfs/dbraw/zinc/98/86/29/1129988629.db2.gz	CDFYPFKDMYXHQA-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C=C1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1	ZINC000902232465	1129992956	/nfs/dbraw/zinc/99/29/56/1129992956.db2.gz	ZIHPHQVVIXQWRX-UHFFFAOYSA-N	-1	0	299.292	3.556	20	30		CHEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@@H]1C[C@H]1c1ccccc1	ZINC000802708945	1130031059	/nfs/dbraw/zinc/03/10/59/1130031059.db2.gz	MHEYZXFTNDPJAO-HOTGVXAUSA-N	-1	0	294.354	3.976	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3cccc([S-])c3)ccc12	ZINC001242868096	1130111511	/nfs/dbraw/zinc/11/15/11/1130111511.db2.gz	ZQIJSEFQJKRWRN-UHFFFAOYSA-N	-1	0	250.326	3.995	20	30		CHEDRM
COc1ccc(NN=C(C)c2cc(C(=O)[O-])ccc2C)cc1	ZINC000788436563	1130185359	/nfs/dbraw/zinc/18/53/59/1130185359.db2.gz	AMVGUIIAGSOKAG-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCC=CO1	ZINC000780149903	1130218580	/nfs/dbraw/zinc/21/85/80/1130218580.db2.gz	POFVEEZIVLHESH-FQKZPNAISA-N	-1	0	286.158	3.811	20	30		CHEDRM
CC(C)CCN(CCC#N)Cc1c([O-])ccc(Cl)c1F	ZINC000792167653	1130434554	/nfs/dbraw/zinc/43/45/54/1130434554.db2.gz	NUVPXRHKXDVANX-UHFFFAOYSA-N	-1	0	298.789	3.946	20	30		CHEDRM
N#Cc1ccc(-c2ccncc2)nc1-c1ccc([O-])c(F)c1	ZINC001240782735	1130468131	/nfs/dbraw/zinc/46/81/31/1130468131.db2.gz	HEXOCILHTKCXDB-UHFFFAOYSA-N	-1	0	291.285	3.527	20	30		CHEDRM
N#Cc1ccc2ccnc(-c3ccc(C(=O)[O-])s3)c2c1	ZINC001240842237	1130490562	/nfs/dbraw/zinc/49/05/62/1130490562.db2.gz	CYYDHQQTJJWIJG-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc(C(C)C)ccc1C#N	ZINC001240999833	1130558741	/nfs/dbraw/zinc/55/87/41/1130558741.db2.gz	WDPLHLKZBGYCNE-UHFFFAOYSA-N	-1	0	280.327	3.750	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C(C)(C)C#N)nc1	ZINC001241001510	1130559446	/nfs/dbraw/zinc/55/94/46/1130559446.db2.gz	BOFLQLAXJNKDQS-UHFFFAOYSA-N	-1	0	280.327	3.556	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1cccc(F)n1	ZINC000747690215	1130597774	/nfs/dbraw/zinc/59/77/74/1130597774.db2.gz	FDKWNWWBOZSMIP-UBKPWBPPSA-N	-1	0	299.132	3.852	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1cccc(F)n1	ZINC000747690214	1130597830	/nfs/dbraw/zinc/59/78/30/1130597830.db2.gz	FDKWNWWBOZSMIP-FMQZQXMHSA-N	-1	0	299.132	3.852	20	30		CHEDRM
CCc1ccccc1NN=C(C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758107412	1130598850	/nfs/dbraw/zinc/59/88/50/1130598850.db2.gz	NYEAPJICVPTIOE-UHFFFAOYSA-N	-1	0	299.330	3.699	20	30		CHEDRM
C=CCCC(N=Nc1ccccc1C(=O)[O-])C1CC1	ZINC000747755109	1130662892	/nfs/dbraw/zinc/66/28/92/1130662892.db2.gz	LCYSVYBRNYMBNG-UHFFFAOYSA-N	-1	0	258.321	3.529	20	30		CHEDRM
CC[C@H](C#Cc1ccccc1)Oc1nc2sccc2[nH]1	ZINC001234847623	1130681415	/nfs/dbraw/zinc/68/14/15/1130681415.db2.gz	KKJPHLVYKOMQEL-CYBMUJFWSA-N	-1	0	282.368	3.834	20	30		CHEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(C)cc1	ZINC000812444271	1130690881	/nfs/dbraw/zinc/69/08/81/1130690881.db2.gz	BRSATAJADIEELS-UHFFFAOYSA-N	-1	0	282.343	3.919	20	30		CHEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(OC)cc1	ZINC000812444370	1130691048	/nfs/dbraw/zinc/69/10/48/1130691048.db2.gz	FEQDCHRAWLLDKS-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
Cc1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001235459945	1130746523	/nfs/dbraw/zinc/74/65/23/1130746523.db2.gz	XMAUNISEECYHJM-JXMROGBWSA-N	-1	0	263.296	3.632	20	30		CHEDRM
Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)cc(F)c1C#N	ZINC001235623214	1130758471	/nfs/dbraw/zinc/75/84/71/1130758471.db2.gz	QAHJMTBZEXGGTK-QPJJXVBHSA-N	-1	0	281.286	3.771	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])cs1)CC2	ZINC000782207322	1130762958	/nfs/dbraw/zinc/76/29/58/1130762958.db2.gz	NHZPBIJYUMMGBQ-KPKJPENVSA-N	-1	0	298.363	3.967	20	30		CHEDRM
CO/N=C/c1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1F	ZINC001235671174	1130763948	/nfs/dbraw/zinc/76/39/48/1130763948.db2.gz	XXSKODXGZPRKGY-BQEIWPMTSA-N	-1	0	299.301	3.571	20	30		CHEDRM
N#CCCc1cccc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235997650	1130827974	/nfs/dbraw/zinc/82/79/74/1130827974.db2.gz	GLGAVTATKITJJH-UHFFFAOYSA-N	-1	0	277.245	3.933	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2)c(Cl)c1	ZINC000783697449	1130848629	/nfs/dbraw/zinc/84/86/29/1130848629.db2.gz	QSPRMXYRMFALCM-CMDGGOBGSA-N	-1	0	286.714	3.934	20	30		CHEDRM
C[C@@H]1CC(N=Nc2ccc3ccccc3n2)CC[C@H]1C(=O)[O-]	ZINC000814697607	1130896498	/nfs/dbraw/zinc/89/64/98/1130896498.db2.gz	VNBPAKLNCGLQFT-BXUZGUMPSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc2ccccc2n1	ZINC000814697261	1130898460	/nfs/dbraw/zinc/89/84/60/1130898460.db2.gz	GOZJPCWSQBPLPK-UHFFFAOYSA-N	-1	0	297.358	3.668	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(Cl)c1	ZINC000814693432	1130902000	/nfs/dbraw/zinc/90/20/00/1130902000.db2.gz	PHWMHNZUQAUJLO-UHFFFAOYSA-N	-1	0	280.755	3.773	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cccc(F)c1	ZINC000814815312	1130916527	/nfs/dbraw/zinc/91/65/27/1130916527.db2.gz	SQKDOELKLYVIET-UHFFFAOYSA-N	-1	0	286.306	3.587	20	30		CHEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc2ncccc12	ZINC000814804310	1130918748	/nfs/dbraw/zinc/91/87/48/1130918748.db2.gz	JIHDUJWGEZDZPY-VXGBXAGGSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000814858845	1130924582	/nfs/dbraw/zinc/92/45/82/1130924582.db2.gz	IBXZAXAHUNHBPA-HZSPNIEDSA-N	-1	0	282.428	3.812	20	30		CHEDRM
Cc1ccc(F)c(-c2nc3c(cc2C#N)CCCC3)c1[O-]	ZINC001236393594	1130926393	/nfs/dbraw/zinc/92/63/93/1130926393.db2.gz	WJCNNSJUGLBMQM-UHFFFAOYSA-N	-1	0	282.318	3.652	20	30		CHEDRM
[O-]c1cc(F)c(Cl)cc1C=NOCc1ccc(F)cc1	ZINC000814903699	1130932776	/nfs/dbraw/zinc/93/27/76/1130932776.db2.gz	WJZGYJPKYHCLPL-UHFFFAOYSA-N	-1	0	297.688	3.875	20	30		CHEDRM
COc1ccccc1CON=Cc1cccc(O)c1Cl	ZINC000814923759	1130936579	/nfs/dbraw/zinc/93/65/79/1130936579.db2.gz	NKPDWBIGXXYELU-UHFFFAOYSA-N	-1	0	291.734	3.605	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCC1(C)CCCC1	ZINC000814937766	1130940225	/nfs/dbraw/zinc/94/02/25/1130940225.db2.gz	PBKMPBJOAXDJBI-UHFFFAOYSA-N	-1	0	288.391	3.505	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H]1CCCCC1(C)C	ZINC000814917743	1130942633	/nfs/dbraw/zinc/94/26/33/1130942633.db2.gz	QBZSGPQGAKYJEX-CYBMUJFWSA-N	-1	0	280.412	3.566	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=CCCC2)s1	ZINC000797572281	1130994261	/nfs/dbraw/zinc/99/42/61/1130994261.db2.gz	XASIRXQOUYYYLL-LLVKDONJSA-N	-1	0	274.389	3.727	20	30		CHEDRM
COc1cccc(/C=C/C(=O)c2ccc(C)cc2[O-])c1F	ZINC000799891169	1131112741	/nfs/dbraw/zinc/11/27/41/1131112741.db2.gz	ADNOUTDDCYMFLI-VQHVLOKHSA-N	-1	0	286.302	3.744	20	30		CHEDRM
Cc1nc(-c2cc(Cl)c([O-])cc2F)ccc1CC#N	ZINC001245670330	1131122495	/nfs/dbraw/zinc/12/24/95/1131122495.db2.gz	PZOYBLSKLYBMGK-UHFFFAOYSA-N	-1	0	276.698	3.621	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000209181755	1131171820	/nfs/dbraw/zinc/17/18/20/1131171820.db2.gz	WCCIPHRAUDVWDB-ALCCZGGFSA-N	-1	0	283.283	3.505	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000209181421	1131172244	/nfs/dbraw/zinc/17/22/44/1131172244.db2.gz	XRKRAFLNLDKYHG-YFHOEESVSA-N	-1	0	266.296	3.589	20	30		CHEDRM
CC1(C)CCC(CC(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC001137932807	1131437945	/nfs/dbraw/zinc/43/79/45/1131437945.db2.gz	KKTXIHWCTBLEOF-UHFFFAOYSA-N	-1	0	286.375	3.809	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2sccc2C(F)F)c1	ZINC001137934423	1131438135	/nfs/dbraw/zinc/43/81/35/1131438135.db2.gz	XJSSAZJKJMKKME-UHFFFAOYSA-N	-1	0	294.282	3.515	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cc(C)c(C)o1	ZINC000844622592	1131586166	/nfs/dbraw/zinc/58/61/66/1131586166.db2.gz	GUDBJXGYQVJFTO-UHFFFAOYSA-N	-1	0	286.331	3.739	20	30		CHEDRM
Cc1c(N=NC2CCC(F)(F)CC2)cccc1C(=O)[O-]	ZINC000844622366	1131586329	/nfs/dbraw/zinc/58/63/29/1131586329.db2.gz	CMQUFSVDZNAXJR-UHFFFAOYSA-N	-1	0	282.290	3.670	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cc(C)oc1C	ZINC000844626770	1131587192	/nfs/dbraw/zinc/58/71/92/1131587192.db2.gz	CPQWZPJMZHIJTK-UHFFFAOYSA-N	-1	0	286.331	3.739	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	ZINC000846551352	1131713018	/nfs/dbraw/zinc/71/30/18/1131713018.db2.gz	UKBFVOVHXNYHTG-UONOGXRCSA-N	-1	0	291.391	3.508	20	30		CHEDRM
C=CC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009859	1131753449	/nfs/dbraw/zinc/75/34/49/1131753449.db2.gz	FZRDBSRDMSXPMJ-SECBINFHSA-N	-1	0	264.300	3.524	20	30		CHEDRM
N#Cc1cc(NC(=O)c2ccccc2C2CC2)c([O-])cc1F	ZINC001148478815	1131857658	/nfs/dbraw/zinc/85/76/58/1131857658.db2.gz	RPHHAYNFXQDFQE-UHFFFAOYSA-N	-1	0	296.301	3.533	20	30		CHEDRM
Cc1ccc(F)cc1C=CC(=O)c1sccc1[O-]	ZINC000773150577	1131964911	/nfs/dbraw/zinc/96/49/11/1131964911.db2.gz	REYGFIJSXQEQQA-HWKANZROSA-N	-1	0	262.305	3.797	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2ccc(C(=O)[O-])cc2Cl)c1	ZINC001248554820	1132031751	/nfs/dbraw/zinc/03/17/51/1132031751.db2.gz	QCXQZLHXPSFRPE-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#CC1CCC(Oc2cccc3oc(=S)[n-]c32)CC1	ZINC001231064765	1132250963	/nfs/dbraw/zinc/25/09/63/1132250963.db2.gz	HNHBMAAWPXBIHZ-UHFFFAOYSA-N	-1	0	274.345	3.578	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCCC2(F)F)c1	ZINC000840707155	1132273111	/nfs/dbraw/zinc/27/31/11/1132273111.db2.gz	OAKIXZCALCDSIZ-CPWFCVNUSA-N	-1	0	298.289	3.545	20	30		CHEDRM
N#CCC1CCN(Cc2ccc(Cl)c([O-])c2Cl)CC1	ZINC001232630859	1132498460	/nfs/dbraw/zinc/49/84/60/1132498460.db2.gz	IKWPCJBSZODRDZ-UHFFFAOYSA-N	-1	0	299.201	3.825	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccsc1C(=O)[O-]	ZINC001215387377	1132524472	/nfs/dbraw/zinc/52/44/72/1132524472.db2.gz	TWLUEPXAVKLKAW-UHFFFAOYSA-N	-1	0	284.296	3.808	20	30		CHEDRM
Cc1cccc2oc(C(=O)Nc3cc(C#N)ccc3[O-])cc21	ZINC001152999623	1132589466	/nfs/dbraw/zinc/58/94/66/1132589466.db2.gz	BCPMMRGDIPGWHE-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
CC[C@@H](C)CC[C@@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919280	1132698339	/nfs/dbraw/zinc/69/83/39/1132698339.db2.gz	DJMCBYZBZKEROU-ZYHUDNBSSA-N	-1	0	262.353	3.561	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001174636288	1132936639	/nfs/dbraw/zinc/93/66/39/1132936639.db2.gz	QASSYSWJPCLQEG-UHFFFAOYSA-N	-1	0	256.280	3.763	20	30		CHEDRM
COc1cc(Nc2cc(C#N)c(C)cc2C)ccc1C(=O)[O-]	ZINC001174687629	1132946886	/nfs/dbraw/zinc/94/68/86/1132946886.db2.gz	AEKPJMHMSOFRHP-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001161075372	1132993014	/nfs/dbraw/zinc/99/30/14/1132993014.db2.gz	ZKQZLIRLVNMTNA-VIFPVBQESA-N	-1	0	285.746	3.659	20	30		CHEDRM
N#CCc1ccc(F)c(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205099928	1133529161	/nfs/dbraw/zinc/52/91/61/1133529161.db2.gz	DMQSFKJWPNGHEF-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1cnc(-c2ccsc2C(=O)[O-])c2sccc21	ZINC001205564795	1133588259	/nfs/dbraw/zinc/58/82/59/1133588259.db2.gz	BTVZYGSZDRCVGL-UHFFFAOYSA-N	-1	0	286.337	3.595	20	30		CHEDRM
CCOc1c(F)c(F)ccc1-c1cc(/C=N/[O-])ccc1F	ZINC001205817028	1133618051	/nfs/dbraw/zinc/61/80/51/1133618051.db2.gz	IEIFKEBFWWHPDQ-UFWORHAWSA-N	-1	0	295.260	3.978	20	30		CHEDRM
CC(C)Oc1cc(-c2ccc(/C=N/[O-])c(F)c2)c(F)cn1	ZINC001206643744	1133730600	/nfs/dbraw/zinc/73/06/00/1133730600.db2.gz	YGFAAJPTGKJQLN-FBCYGCLPSA-N	-1	0	292.285	3.622	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)cc(C(=O)[O-])c2)ccc1Cl	ZINC001209889560	1134096298	/nfs/dbraw/zinc/09/62/98/1134096298.db2.gz	PGVOKYOPKUULCF-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1oc(Nc2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1C	ZINC001210006495	1134120827	/nfs/dbraw/zinc/12/08/27/1134120827.db2.gz	CTNVYPUWYUTRFN-UHFFFAOYSA-N	-1	0	288.278	3.657	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cc(C(=O)[O-])cc(F)c2C)c1	ZINC001210009554	1134122386	/nfs/dbraw/zinc/12/23/86/1134122386.db2.gz	ALPKLYZTOQENGU-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210242650	1134176841	/nfs/dbraw/zinc/17/68/41/1134176841.db2.gz	XZXZKBFHUWPQDJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
COc1cc(Nc2cc(C)cc(C#N)c2)ccc1[S-]	ZINC001210391190	1134207881	/nfs/dbraw/zinc/20/78/81/1134207881.db2.gz	MGGOGAKJKSTSOJ-UHFFFAOYSA-N	-1	0	270.357	3.908	20	30		CHEDRM
C[C@@H]1CC(=O)C=C(Nc2c([S-])cccc2Cl)C1	ZINC001210776850	1134294251	/nfs/dbraw/zinc/29/42/51/1134294251.db2.gz	IHRPFSHTXJYNJF-QMMMGPOBSA-N	-1	0	267.781	3.924	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)nc2Cl)c([O-])cc1F	ZINC001211276768	1134401428	/nfs/dbraw/zinc/40/14/28/1134401428.db2.gz	BWNYBVLJABSBKG-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
N#CCc1ccc(F)c(-c2cc(F)c([O-])cc2F)c1	ZINC001211353767	1134412574	/nfs/dbraw/zinc/41/25/74/1134412574.db2.gz	ZYFHESHDUCKRKO-UHFFFAOYSA-N	-1	0	263.218	3.543	20	30		CHEDRM
N#Cc1cccc(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214799564	1134575393	/nfs/dbraw/zinc/57/53/93/1134575393.db2.gz	YKNCZGWLTLUJJH-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
COc1ccc(Nc2ccc([S-])cc2)cc1C#N	ZINC001215002619	1134592778	/nfs/dbraw/zinc/59/27/78/1134592778.db2.gz	MRQMVTPQXYMTDX-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001215285496	1134614641	/nfs/dbraw/zinc/61/46/41/1134614641.db2.gz	NXHWGSDQXUZAOI-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1ccsc1C(=O)[O-]	ZINC001215394398	1134623173	/nfs/dbraw/zinc/62/31/73/1134623173.db2.gz	ZAINRUMWHOKHOE-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CCOc1c(F)c(F)ccc1Nc1scc([O-])c1C#N	ZINC001215413244	1134625776	/nfs/dbraw/zinc/62/57/76/1134625776.db2.gz	XIRPHKNODZKOQO-UHFFFAOYSA-N	-1	0	296.298	3.746	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cc(Cl)ncc1O	ZINC001215645372	1134655387	/nfs/dbraw/zinc/65/53/87/1134655387.db2.gz	KJRUIBJGWBAGAV-UHFFFAOYSA-N	-1	0	273.723	3.673	20	30		CHEDRM
Cc1coc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c1C#N	ZINC001215696132	1134660487	/nfs/dbraw/zinc/66/04/87/1134660487.db2.gz	RKMXCRKGYLGCPO-UHFFFAOYSA-N	-1	0	294.669	3.694	20	30		CHEDRM
N#Cc1cccc(-c2noc(-c3cccc([S-])c3)n2)c1	ZINC001215761353	1134678616	/nfs/dbraw/zinc/67/86/16/1134678616.db2.gz	JZTFLFXVSQRBCL-UHFFFAOYSA-N	-1	0	279.324	3.564	20	30		CHEDRM
N#Cc1cc(Nc2c(Cl)ccnc2Cl)c([O-])cc1F	ZINC001216304463	1134842301	/nfs/dbraw/zinc/84/23/01/1134842301.db2.gz	IIOHTHKTSZCKBE-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
Cc1cc(Nc2csc(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001216309445	1134845331	/nfs/dbraw/zinc/84/53/31/1134845331.db2.gz	WFEHSVMXNYONEB-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1noc2ccc(Nc3cc(C#N)c(F)cc3[O-])cc12	ZINC001216641721	1134938860	/nfs/dbraw/zinc/93/88/60/1134938860.db2.gz	UWIIBTLCQZJQFE-UHFFFAOYSA-N	-1	0	283.262	3.596	20	30		CHEDRM
Cc1c(Nc2cc(C#N)cn2C(C)(C)C)cccc1C(=O)[O-]	ZINC001216656849	1134939765	/nfs/dbraw/zinc/93/97/65/1134939765.db2.gz	KPEKCXRIFBRSLP-UHFFFAOYSA-N	-1	0	297.358	3.865	20	30		CHEDRM
Cc1c(Nc2c(F)ccc(F)c2C#N)cccc1C(=O)[O-]	ZINC001216663058	1134942181	/nfs/dbraw/zinc/94/21/81/1134942181.db2.gz	KSGKZEPUYLZQGN-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c(C)c1	ZINC001216969968	1134955438	/nfs/dbraw/zinc/95/54/38/1134955438.db2.gz	VKJBDOVPMRJZKA-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
Cc1cc(Nc2cccc(CC#N)c2)ccc1C(=O)[O-]	ZINC000313485582	1135139092	/nfs/dbraw/zinc/13/90/92/1135139092.db2.gz	XJOHIXBYSNBFRZ-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222386125	1135234607	/nfs/dbraw/zinc/23/46/07/1135234607.db2.gz	LASRAQIRCBVJSU-UHFFFAOYSA-N	-1	0	289.281	3.762	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1-c1ccccc1/C=C/C(=O)[O-]	ZINC001222656896	1135260748	/nfs/dbraw/zinc/26/07/48/1135260748.db2.gz	AKXJRKOZJONZEF-BQYQJAHWSA-N	-1	0	277.323	3.940	20	30		CHEDRM
[O-]/N=C(\O[C@@H]1CCc2cccnc21)c1ccc(Cl)cc1	ZINC001223593833	1135363612	/nfs/dbraw/zinc/36/36/12/1135363612.db2.gz	PIKXFSMGZXMWPU-ZLMULJHYSA-N	-1	0	288.734	3.575	20	30		CHEDRM
C[C@@H](Cc1ccco1)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223593431	1135364086	/nfs/dbraw/zinc/36/40/86/1135364086.db2.gz	JRIBXUMTFQXTMD-MKPGZACHSA-N	-1	0	279.723	3.717	20	30		CHEDRM
CCCCC[C@@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223892067	1135394816	/nfs/dbraw/zinc/39/48/16/1135394816.db2.gz	AEOXNAAQKNKKTJ-WGKGOADCSA-N	-1	0	295.379	3.825	20	30		CHEDRM
CCCCCCC[C@H](C)OCCCC[P@@](=O)([O-])O	ZINC001225023108	1135503125	/nfs/dbraw/zinc/50/31/25/1135503125.db2.gz	UZVCLSOCGBIJRX-ZDUSSCGKSA-N	-1	0	280.345	3.710	20	30		CHEDRM
CCC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009108	1135651977	/nfs/dbraw/zinc/65/19/77/1135651977.db2.gz	SJTAHRAFOVIINS-AWEZNQCLSA-N	-1	0	286.306	3.718	20	30		CHEDRM
N#C[C@@H](Oc1cccc([S-])c1)c1cccc(F)c1	ZINC001226014548	1135652602	/nfs/dbraw/zinc/65/26/02/1135652602.db2.gz	VYFGDCQHYBOFKD-CQSZACIVSA-N	-1	0	259.305	3.758	20	30		CHEDRM
Cc1c(C#N)c(O[C@@H](C)C2=CC=C[CH]2)nc2ccccc12	ZINC001226444758	1135696711	/nfs/dbraw/zinc/69/67/11/1135696711.db2.gz	MTTXTYPWWILCRY-ZDUSSCGKSA-N	-1	0	275.331	3.883	20	30		CHEDRM
C=CC[C@H](Oc1cnc[nH]c1=O)c1ccc(Cl)cc1	ZINC001227052046	1135778777	/nfs/dbraw/zinc/77/87/77/1135778777.db2.gz	UKORZNIHXLUAOU-LBPRGKRZSA-N	-1	0	276.723	3.532	20	30		CHEDRM
C=C[C@@H](C)Oc1cc(OC)ccc1C(=O)c1ccccc1[O-]	ZINC001227407085	1135830015	/nfs/dbraw/zinc/83/00/15/1135830015.db2.gz	MIYVBWXGEPRARY-GFCCVEGCSA-N	-1	0	298.338	3.585	20	30		CHEDRM
C=C(C)C[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C(=C)C	ZINC001227605252	1135849819	/nfs/dbraw/zinc/84/98/19/1135849819.db2.gz	HBEJEYMGBBFROU-QMMMGPOBSA-N	-1	0	289.162	3.779	20	30		CHEDRM
N#Cc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000179722219	260065321	/nfs/dbraw/zinc/06/53/21/260065321.db2.gz	BKZADWIDBHJTRW-BQYQJAHWSA-N	-1	0	298.729	3.569	20	30		CHEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1	ZINC000357112944	266250846	/nfs/dbraw/zinc/25/08/46/266250846.db2.gz	SGOYKYFATGHWRH-VIFPVBQESA-N	-1	0	299.380	3.551	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1coc2ccccc12	ZINC000255212731	326957632	/nfs/dbraw/zinc/95/76/32/326957632.db2.gz	PUZLTMLHVNHBDF-SREVYHEPSA-N	-1	0	290.278	3.568	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430595900	330569557	/nfs/dbraw/zinc/56/95/57/330569557.db2.gz	VSXPFTOWJVNGRW-LLVKDONJSA-N	-1	0	288.372	3.832	20	30		CHEDRM
CC(C)CCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000431856559	330589686	/nfs/dbraw/zinc/58/96/86/330589686.db2.gz	FHQYOBCYYKLHRB-UHFFFAOYSA-N	-1	0	277.412	3.779	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436645274	330682130	/nfs/dbraw/zinc/68/21/30/330682130.db2.gz	LUIJYFJIIBIUCQ-UHFFFAOYSA-N	-1	0	287.359	3.692	20	30		CHEDRM
N#Cc1cccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c1	ZINC000439272144	330736192	/nfs/dbraw/zinc/73/61/92/330736192.db2.gz	KKXNNQNDPVKHGB-DAXSKMNVSA-N	-1	0	290.278	3.568	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)oc3ccccc32)n1	ZINC000186186647	333156531	/nfs/dbraw/zinc/15/65/31/333156531.db2.gz	NVBSMRHCOMCWBH-GFCCVEGCSA-N	-1	0	296.351	3.996	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)[O-])s1	ZINC000564350672	334156282	/nfs/dbraw/zinc/15/62/82/334156282.db2.gz	NYGTUCVNIHUCDH-PBHICJAKSA-N	-1	0	295.363	3.575	20	30		CHEDRM
CCCOc1ccc(-c2cccc(C(=O)[O-])c2)cc1C#N	ZINC000566800146	334664919	/nfs/dbraw/zinc/66/49/19/334664919.db2.gz	UXLZAOFAEMIOLI-UHFFFAOYSA-N	-1	0	281.311	3.712	20	30		CHEDRM
CC[C@@H](Cc1ccccc1-c1ccsc1C#N)C(=O)[O-]	ZINC000579496051	335774654	/nfs/dbraw/zinc/77/46/54/335774654.db2.gz	VYQRBUVXRONGKL-NSHDSACASA-N	-1	0	285.368	3.940	20	30		CHEDRM
C[C@H]1CC[C@H](C([O-])=Nc2nc3ccsc3s2)O1	ZINC000330081537	533739347	/nfs/dbraw/zinc/73/93/47/533739347.db2.gz	JZYZQRIKNLKAQV-POYBYMJQSA-N	-1	0	268.363	3.513	20	30		CHEDRM
CSc1ccc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000336171276	534195227	/nfs/dbraw/zinc/19/52/27/534195227.db2.gz	YCUNYIOLSDONRM-UHFFFAOYSA-N	-1	0	298.367	3.547	20	30		CHEDRM
N#Cc1cccc(SCc2ccc(C(=O)[O-])cc2)c1	ZINC000833075432	601319583	/nfs/dbraw/zinc/31/95/83/601319583.db2.gz	RSJMKPWSFWXNMS-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
CC(C)(C#N)CCCNc1cccc(NC(=O)[O-])c1	ZINC000826071112	601906694	/nfs/dbraw/zinc/90/66/94/601906694.db2.gz	IMOGZJDQQHDBPQ-UHFFFAOYSA-N	-1	0	261.325	3.518	20	30		CHEDRM
N#Cc1c(F)cccc1Oc1ccc(NC(=O)[O-])cc1	ZINC000831114338	603196564	/nfs/dbraw/zinc/19/65/64/603196564.db2.gz	LALDBJZBXOYAKT-UHFFFAOYSA-N	-1	0	272.235	3.580	20	30		CHEDRM
O=C([O-])N1CCC(CN=Nc2cccc3ccccc32)CC1	ZINC000831869724	603858859	/nfs/dbraw/zinc/85/88/59/603858859.db2.gz	SWQYAWNUXQKXTQ-UHFFFAOYSA-N	-1	0	297.358	3.628	20	30		CHEDRM
CC(C)N(Cc1cccc(C(=O)[O-])c1C#N)c1ccccc1	ZINC000833499867	604614585	/nfs/dbraw/zinc/61/45/85/604614585.db2.gz	ZYWNBHRYWIFUGG-UHFFFAOYSA-N	-1	0	294.354	3.671	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2Cl)cc1	ZINC000199474224	604626094	/nfs/dbraw/zinc/62/60/94/604626094.db2.gz	BIUKVUMXZJHEJC-KTKRTIGZSA-N	-1	0	286.714	3.934	20	30		CHEDRM
Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832977223	604629864	/nfs/dbraw/zinc/62/98/64/604629864.db2.gz	FDOIXSZLLFUZOX-ZHACJKMWSA-N	-1	0	266.296	3.589	20	30		CHEDRM
N#Cc1c(Cl)cccc1SCc1ccc(C(=O)[O-])o1	ZINC000833760723	604845673	/nfs/dbraw/zinc/84/56/73/604845673.db2.gz	AXMBBWUNLHYCNM-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
CC(C)C(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CC1	ZINC000833463005	605156766	/nfs/dbraw/zinc/15/67/66/605156766.db2.gz	TZAVPYCZEITVHI-UHFFFAOYSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC(C)(CCC#N)CNc1ccc(NC(=O)[O-])cc1	ZINC000823886393	605242135	/nfs/dbraw/zinc/24/21/35/605242135.db2.gz	SBZTWKHLKFRSLQ-UHFFFAOYSA-N	-1	0	261.325	3.518	20	30		CHEDRM
N#C[C@H](SCC1CCN(C(=O)[O-])CC1)C1CCCCC1	ZINC000833964454	605408168	/nfs/dbraw/zinc/40/81/68/605408168.db2.gz	HLDAEDHNHKGTOO-AWEZNQCLSA-N	-1	0	296.436	3.582	20	30		CHEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC000833386982	605595993	/nfs/dbraw/zinc/59/59/93/605595993.db2.gz	IAXNFNRHBSMPQV-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
C#CCCCSCc1cc(C(=O)[O-])ccc1Cl	ZINC000833362182	605788427	/nfs/dbraw/zinc/78/84/27/605788427.db2.gz	DITNANNFHPOWIV-UHFFFAOYSA-N	-1	0	268.765	3.685	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1	ZINC000007712534	956881214	/nfs/dbraw/zinc/88/12/14/956881214.db2.gz	DPBKQBSZCOOPBB-FPYGCLRLSA-N	-1	0	288.249	3.559	20	30		CHEDRM
Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC=CCC2)cc1	ZINC000013181611	956967296	/nfs/dbraw/zinc/96/72/96/956967296.db2.gz	FTCACNYGFFWKSQ-GJZGRUSLSA-N	-1	0	287.359	3.824	20	30		CHEDRM
CCCCCCCCS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000059089345	957559869	/nfs/dbraw/zinc/55/98/69/957559869.db2.gz	PIJUHUDVRZQPCP-UHFFFAOYSA-N	-1	0	298.404	3.519	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000059082266	957559921	/nfs/dbraw/zinc/55/99/21/957559921.db2.gz	FPGXIXINEWTWHU-UHFFFAOYSA-N	-1	0	281.327	3.823	20	30		CHEDRM
CCCCCCCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000059269347	957562489	/nfs/dbraw/zinc/56/24/89/957562489.db2.gz	QTRHWCOBFLKPRX-CQSZACIVSA-N	-1	0	285.428	3.743	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1	ZINC000220154805	959798393	/nfs/dbraw/zinc/79/83/93/959798393.db2.gz	ZAOGBUANZFEGMB-LZCJLJQNSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000224835641	959857466	/nfs/dbraw/zinc/85/74/66/959857466.db2.gz	LQHGDNVBUDQDQR-UHFFFAOYSA-N	-1	0	281.327	3.823	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001573840628	961067065	/nfs/dbraw/zinc/06/70/65/961067065.db2.gz	INPMBKHRPZVGLF-WMLDXEAASA-N	-1	0	297.439	3.696	20	30		CHEDRM
C[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000729641824	1125481795	/nfs/dbraw/zinc/48/17/95/1125481795.db2.gz	YTQZSEDSSYUMPQ-ZCZHDGFVSA-N	-1	0	282.727	3.561	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-]	ZINC001573348281	962957266	/nfs/dbraw/zinc/95/72/66/962957266.db2.gz	UUSRNBWPDPDJFC-GFCCVEGCSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=C[C@@H](Nc1cccc(Oc2ccccc2)c1)C(=O)[O-]	ZINC000312588412	963576728	/nfs/dbraw/zinc/57/67/28/963576728.db2.gz	NLLOFPHCHZMCGP-OAHLLOKOSA-N	-1	0	269.300	3.530	20	30		CHEDRM
C[C@@H](CCC#N)CNc1cc2ccccc2c(C(=O)[O-])c1	ZINC001592470282	978219791	/nfs/dbraw/zinc/21/97/91/978219791.db2.gz	GSOFJCCVNRDMQX-LBPRGKRZSA-N	-1	0	282.343	3.890	20	30		CHEDRM
CCOc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000743539172	978679031	/nfs/dbraw/zinc/67/90/31/978679031.db2.gz	VQHYGCVNQODEFR-FLIBITNWSA-N	-1	0	296.322	3.680	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccccc2C2CC2)c1	ZINC000751130551	978691149	/nfs/dbraw/zinc/69/11/49/978691149.db2.gz	CUXNYAKYFIGHKH-UHFFFAOYSA-N	-1	0	280.327	3.708	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CC[C@@H]2c2ccccc2)c1	ZINC000769761925	978743160	/nfs/dbraw/zinc/74/31/60/978743160.db2.gz	CCJHLUBRYDDWEL-OAHLLOKOSA-N	-1	0	280.327	3.730	20	30		CHEDRM
CC(=NNc1ccc(F)cc1F)c1cc(C(=O)[O-])cs1	ZINC000814686294	978872450	/nfs/dbraw/zinc/87/24/50/978872450.db2.gz	YBCRADPFBWSUAZ-UHFFFAOYSA-N	-1	0	296.298	3.561	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000814693334	978873241	/nfs/dbraw/zinc/87/32/41/978873241.db2.gz	KERPKCPEDVNUIS-UWVGGRQHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc3ccccc3n2)CC[C@H]1CC(=O)[O-]	ZINC000814697716	978873816	/nfs/dbraw/zinc/87/38/16/978873816.db2.gz	ZLVGIHXYYNASBN-AAEUAGOBSA-N	-1	0	297.358	3.524	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc3ncccc23)CC[C@H]1CC(=O)[O-]	ZINC000814804547	978886422	/nfs/dbraw/zinc/88/64/22/978886422.db2.gz	UMEWMGMAPGYNTL-RYUDHWBXSA-N	-1	0	297.358	3.524	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc3ncccc23)CC[C@@H]1CC(=O)[O-]	ZINC000814804546	978886509	/nfs/dbraw/zinc/88/65/09/978886509.db2.gz	UMEWMGMAPGYNTL-NWDGAFQWSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CC(=NOC1CCCCC1)c1cc(C(=O)[O-])cs1	ZINC000814908745	978897931	/nfs/dbraw/zinc/89/79/31/978897931.db2.gz	AQEZQNVKCOFTKB-UHFFFAOYSA-N	-1	0	267.350	3.520	20	30		CHEDRM
CSc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000834998431	979242987	/nfs/dbraw/zinc/24/29/87/979242987.db2.gz	HDBHQVKADKYYNS-QWRGUYRKSA-N	-1	0	292.404	3.697	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)C1CCCC1	ZINC000835012847	979245298	/nfs/dbraw/zinc/24/52/98/979245298.db2.gz	XCEHDPFYPRMIIP-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CCCCCC(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415238	979468169	/nfs/dbraw/zinc/46/81/69/979468169.db2.gz	KGPNFZVLGWSBSE-UHFFFAOYSA-N	-1	0	262.353	3.682	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000899539577	980229117	/nfs/dbraw/zinc/22/91/17/980229117.db2.gz	BXIHARPUEBMJLZ-JTQLQIEISA-N	-1	0	293.388	3.648	20	30		CHEDRM
CCCC[C@H](S[C@@H](C#N)C1CCCCC1)C(=O)[O-]	ZINC001595652653	982035753	/nfs/dbraw/zinc/03/57/53/982035753.db2.gz	WBUUHKURDPKYPU-STQMWFEESA-N	-1	0	269.410	3.835	20	30		CHEDRM
CCCC[C@@H](SCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC001595654462	982040951	/nfs/dbraw/zinc/04/09/51/982040951.db2.gz	CIFXGGNBXQXRIC-CYBMUJFWSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCC[C@H](SCc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001595656780	982055829	/nfs/dbraw/zinc/05/58/29/982055829.db2.gz	ASQRTCWIYYZHOO-AWEZNQCLSA-N	-1	0	277.389	3.629	20	30		CHEDRM
CCCCCCCC(=O)Nc1nc(CC)c(C(=O)[O-])s1	ZINC001595704799	982279933	/nfs/dbraw/zinc/27/99/33/982279933.db2.gz	HPDGFEMSJSBRSS-UHFFFAOYSA-N	-1	0	298.408	3.703	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1	ZINC001595704844	982281001	/nfs/dbraw/zinc/28/10/01/982281001.db2.gz	IYFBXKFEAQCTTO-UHFFFAOYSA-N	-1	0	292.379	3.696	20	30		CHEDRM
CCCCCCCCC(=O)N(C1CC1)C1(C(=O)[O-])CCC1	ZINC001595705210	982282898	/nfs/dbraw/zinc/28/28/98/982282898.db2.gz	RHWPFXBTEXACFP-UHFFFAOYSA-N	-1	0	295.423	3.735	20	30		CHEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000916255218	982673331	/nfs/dbraw/zinc/67/33/31/982673331.db2.gz	KIYHUIHDOIOAIL-UHFFFAOYSA-N	-1	0	268.316	3.611	20	30		CHEDRM
C#Cc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1	ZINC001588517353	983564372	/nfs/dbraw/zinc/56/43/72/983564372.db2.gz	QYOCPQKNLJJMJG-UHFFFAOYSA-N	-1	0	293.366	3.642	20	30		CHEDRM
C=C(C)COc1cccc(NCc2cc(C(=O)[O-])co2)c1	ZINC001588573208	983651613	/nfs/dbraw/zinc/65/16/13/983651613.db2.gz	BUXXYKRUJLKGLR-UHFFFAOYSA-N	-1	0	287.315	3.545	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001588692709	983885597	/nfs/dbraw/zinc/88/55/97/983885597.db2.gz	IJFPGDMKDPBXEA-SECBINFHSA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=C[C@H](Nc1ccc(SC(C)(C)C)cc1C)C(=O)[O-]	ZINC001588701967	983917777	/nfs/dbraw/zinc/91/77/77/983917777.db2.gz	FDXRMSUUXHZYJT-LBPRGKRZSA-N	-1	0	279.405	3.937	20	30		CHEDRM
C=CC[C@H](S[C@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC001588759280	984110704	/nfs/dbraw/zinc/11/07/04/984110704.db2.gz	RKGUEHGWBFGBAS-SKDRFNHKSA-N	-1	0	254.326	3.649	20	30		CHEDRM
C=CC[C@@H](S[C@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC001588759209	984110614	/nfs/dbraw/zinc/11/06/14/984110614.db2.gz	RKGUEHGWBFGBAS-BXKDBHETSA-N	-1	0	254.326	3.649	20	30		CHEDRM
C=CC[C@H]1CC[C@H](Nc2ccc(CCC(=O)[O-])cc2)C1	ZINC001588770660	984135022	/nfs/dbraw/zinc/13/50/22/984135022.db2.gz	CBIOLVVSTWMSQT-HOCLYGCPSA-N	-1	0	273.376	3.861	20	30		CHEDRM
C=CCCC[C@@H](C)OC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588784802	984178478	/nfs/dbraw/zinc/17/84/78/984178478.db2.gz	BMSNUVIOZDNACF-NVPAJSRCSA-N	-1	0	294.391	3.700	20	30		CHEDRM
C=CCCCCOc1cc(Br)cc(C(=O)[O-])c1	ZINC001588802154	984248374	/nfs/dbraw/zinc/24/83/74/984248374.db2.gz	DQLLLFLOOHISIU-UHFFFAOYSA-N	-1	0	299.164	3.882	20	30		CHEDRM
C=CCN(Cc1ccsc1C(=O)[O-])c1ccccc1	ZINC001588831744	984316216	/nfs/dbraw/zinc/31/62/16/984316216.db2.gz	NDUJKOUAJZEXEG-UHFFFAOYSA-N	-1	0	273.357	3.639	20	30		CHEDRM
CC(=NNc1cccc(F)c1C(=O)[O-])c1cc(C)oc1C	ZINC001589017463	985003570	/nfs/dbraw/zinc/00/35/70/985003570.db2.gz	RISDMUHJTXXMDW-UHFFFAOYSA-N	-1	0	290.294	3.570	20	30		CHEDRM
CC(=NOCc1occc1C(=O)[O-])c1cc2ccccc2o1	ZINC001589021864	985015147	/nfs/dbraw/zinc/01/51/47/985015147.db2.gz	XPNPPQSRWUVYBK-UHFFFAOYSA-N	-1	0	299.282	3.665	20	30		CHEDRM
C[C@H](C(=O)[O-])c1cccc(Nc2cc(F)ccc2C#N)c1	ZINC001589540389	987243390	/nfs/dbraw/zinc/24/33/90/987243390.db2.gz	WYBMTVJKWPQLEN-JTQLQIEISA-N	-1	0	284.290	3.629	20	30		CHEDRM
CC(C)(C#N)CCCCSc1ncc(C(=O)[O-])s1	ZINC001589554633	987301869	/nfs/dbraw/zinc/30/18/69/987301869.db2.gz	HKSMIUOUNSOKFW-UHFFFAOYSA-N	-1	0	284.406	3.653	20	30		CHEDRM
CC(C)[C@@H]1c2ccccc2C(=O)/C1=C\c1c[nH]c(C(=O)[O-])c1	ZINC001591067601	991513844	/nfs/dbraw/zinc/51/38/44/991513844.db2.gz	GGVWNNMLRVDAIP-ACQAZONXSA-N	-1	0	295.338	3.732	20	30		CHEDRM
CC(C)C[C@@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001591190880	991997552	/nfs/dbraw/zinc/99/75/52/991997552.db2.gz	CEGHIOMNUNLFNH-LLVKDONJSA-N	-1	0	283.780	3.803	20	30		CHEDRM
CC(C)Cc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1	ZINC001591483788	992605057	/nfs/dbraw/zinc/60/50/57/992605057.db2.gz	LGGIKHBTFIQRCT-UHFFFAOYSA-N	-1	0	295.342	3.594	20	30		CHEDRM
C[C@H](SCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-]	ZINC001593661582	996038424	/nfs/dbraw/zinc/03/84/24/996038424.db2.gz	HLZNBSDOSZPQHO-LBPRGKRZSA-N	-1	0	297.379	3.932	20	30		CHEDRM
CC1(C)C/C(=C\c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21	ZINC001593842531	996604264	/nfs/dbraw/zinc/60/42/64/996604264.db2.gz	OHFOZJUQAFSMLA-PKNBQFBNSA-N	-1	0	295.338	3.661	20	30		CHEDRM
CC1(C)CCC/C(=C\c2ccc(/C=C/C(=O)[O-])o2)C1=O	ZINC001593885528	996722575	/nfs/dbraw/zinc/72/25/75/996722575.db2.gz	MMUVIJDUXXXRAZ-ZDVGBALWSA-N	-1	0	274.316	3.540	20	30		CHEDRM
CC1(C)CCCC1N=Nc1cccc(C(=O)[O-])c1F	ZINC001593897168	996757520	/nfs/dbraw/zinc/75/75/20/996757520.db2.gz	JUSHUKGEMIDFDB-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C[C@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1CC(=O)[O-]	ZINC001594120314	998268614	/nfs/dbraw/zinc/26/86/14/998268614.db2.gz	DYTKGHWWITYFKJ-OLZOCXBDSA-N	-1	0	294.439	3.621	20	30		CHEDRM
CCCCCCN(O)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001184305863	1122267364	/nfs/dbraw/zinc/26/73/64/1122267364.db2.gz	UXEJFLWBWNMMSB-UHFFFAOYSA-N	-1	0	289.734	3.596	20	30		CHEDRM
CC(C)C[C@@H](C)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008133	1131754412	/nfs/dbraw/zinc/75/44/12/1131754412.db2.gz	BUROYMHYSXANKC-SNVBAGLBSA-N	-1	0	266.316	3.604	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccsc1C(=O)[O-]	ZINC001215398146	1134623627	/nfs/dbraw/zinc/62/36/27/1134623627.db2.gz	ZZHQGNREWPNASP-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
C#C[C@@H](CCCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885658	1135634239	/nfs/dbraw/zinc/63/42/39/1135634239.db2.gz	NQASYPHUQXXRTB-ZETCQYMHSA-N	-1	0	276.229	3.519	20	30		CHEDRM
O=C(/C=C\c1cccc(F)c1)c1cc(F)ccc1[O-]	ZINC000757468651	1125760753	/nfs/dbraw/zinc/76/07/53/1125760753.db2.gz	UORYXVWCBQTGEC-XQRVVYSFSA-N	-1	0	260.239	3.567	20	30		CHEDRM
COc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000757471463	1125766293	/nfs/dbraw/zinc/76/62/93/1125766293.db2.gz	CRAUVIGJCPWGAF-AATRIKPKSA-N	-1	0	290.265	3.575	20	30		CHEDRM
N#Cc1ccc(-c2ccc(C3(C(=O)[O-])CCC3)cc2)s1	ZINC000594874050	1127431535	/nfs/dbraw/zinc/43/15/35/1127431535.db2.gz	MZCWYNHLVOEGQX-UHFFFAOYSA-N	-1	0	283.352	3.793	20	30		CHEDRM
N#Cc1c(NCCCCCC(=O)[O-])cccc1C(F)F	ZINC000595966185	1127480795	/nfs/dbraw/zinc/48/07/95/1127480795.db2.gz	PHJCPGDQNQKIED-UHFFFAOYSA-N	-1	0	282.290	3.553	20	30		CHEDRM
C=CC(C)(C)CCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001649015279	1128317099	/nfs/dbraw/zinc/31/70/99/1128317099.db2.gz	QCNRJNMIJIIQKM-UHFFFAOYSA-N	-1	0	299.773	3.907	20	30		CHEDRM
COc1ccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cc1C	ZINC000915988774	1128401910	/nfs/dbraw/zinc/40/19/10/1128401910.db2.gz	HCWMTONMVIKJLB-LZYBPNLTSA-N	-1	0	296.322	3.634	20	30		CHEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cc2)c(C)n1C1CC1	ZINC000916240920	1128412514	/nfs/dbraw/zinc/41/25/14/1128412514.db2.gz	WFHCZMZSYBELQO-UHFFFAOYSA-N	-1	0	297.358	3.584	20	30		CHEDRM
Cc1ccc2c(C=NNc3ccc(C(=O)[O-])cc3)c[nH]c2c1	ZINC000917529779	1128505202	/nfs/dbraw/zinc/50/52/02/1128505202.db2.gz	VFOJHXXFNAJDOC-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000935973319	1128506647	/nfs/dbraw/zinc/50/66/47/1128506647.db2.gz	SPQBQKOOMXQGTN-QMMMGPOBSA-N	-1	0	271.719	3.726	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCC2CCCC2)c1	ZINC000918154061	1128537842	/nfs/dbraw/zinc/53/78/42/1128537842.db2.gz	BFBHBNLRSWYXHE-WJDWOHSUSA-N	-1	0	276.336	3.690	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2C)n1	ZINC000129986254	1128560227	/nfs/dbraw/zinc/56/02/27/1128560227.db2.gz	FVUFYTOIBAXTPL-GFCCVEGCSA-N	-1	0	290.775	3.903	20	30		CHEDRM
O=C([O-])c1ccc(N=NCCC2CCCCCC2)nc1	ZINC000799111625	1128636964	/nfs/dbraw/zinc/63/69/64/1128636964.db2.gz	KEPNCULGWMCNDM-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
N#CC(=C([O-])C=C1CCCC1)c1nc2ccccc2o1	ZINC000920115907	1128666504	/nfs/dbraw/zinc/66/65/04/1128666504.db2.gz	OPRZXUXOZMEBJX-LBPRGKRZSA-N	-1	0	266.300	3.504	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1CCCC1	ZINC000920105785	1128664846	/nfs/dbraw/zinc/66/48/46/1128664846.db2.gz	MAKCALBAKYCYMR-AWEZNQCLSA-N	-1	0	294.354	3.558	20	30		CHEDRM
Cc1cccc2[nH]cc(C=NNc3cccc(C(=O)[O-])c3)c21	ZINC000920355458	1128677889	/nfs/dbraw/zinc/67/78/89/1128677889.db2.gz	BCCVQMHTMNBSKU-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
O=C([O-])c1cc(N=NC=CCc2ccco2)ccc1Cl	ZINC000920357295	1128677926	/nfs/dbraw/zinc/67/79/26/1128677926.db2.gz	CZEDTHVCLDEGGA-SIISZUACSA-N	-1	0	290.706	3.742	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(F)cc2Cl)c1	ZINC000920942586	1128695416	/nfs/dbraw/zinc/69/54/16/1128695416.db2.gz	LCTWXTBDKAEIQM-UHFFFAOYSA-N	-1	0	294.669	3.844	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccccc2)c1[O-]	ZINC000920943465	1128695619	/nfs/dbraw/zinc/69/56/19/1128695619.db2.gz	LANDACORXVGVKG-UHFFFAOYSA-N	-1	0	276.679	3.704	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCCCC2)c1[O-]	ZINC000920943611	1128695653	/nfs/dbraw/zinc/69/56/53/1128695653.db2.gz	VPCFPTBEVWGJKE-NVNXTCNLSA-N	-1	0	282.727	3.705	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccccc2F)c1[O-]	ZINC000920945932	1128695984	/nfs/dbraw/zinc/69/59/84/1128695984.db2.gz	KWONLXAJINCMPI-UHFFFAOYSA-N	-1	0	294.669	3.844	20	30		CHEDRM
O=C1c2cc(F)ccc2C/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000175327598	1128725233	/nfs/dbraw/zinc/72/52/33/1128725233.db2.gz	XFWKLSFFRSPTEY-KMKOMSMNSA-N	-1	0	290.240	3.632	20	30		CHEDRM
C=CC[C@@H]1N(C(=O)c2ccc(O)c(F)c2)CCCC1(C)C	ZINC000683517642	1118168045	/nfs/dbraw/zinc/16/80/45/1118168045.db2.gz	OFNYWVVJWQCFNT-HNNXBMFYSA-N	-1	0	291.366	3.738	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1cccc(C(=O)[O-])c1F	ZINC001210238631	1118219390	/nfs/dbraw/zinc/21/93/90/1118219390.db2.gz	LXZVFLRJPROYAD-UHFFFAOYSA-N	-1	0	296.257	3.885	20	30		CHEDRM
O=C1c2ccc(F)cc2CC/C1=C\c1ccc(O)c(F)c1	ZINC000255139938	1118311915	/nfs/dbraw/zinc/31/19/15/1118311915.db2.gz	FEKWWSKUGUFUGJ-KPKJPENVSA-N	-1	0	286.277	3.883	20	30		CHEDRM
N#Cc1ncccc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210924852	1118424021	/nfs/dbraw/zinc/42/40/21/1118424021.db2.gz	UJTNQPSTCJMVIH-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1cc(-c2ccccc2C(=O)[O-])cc(C(F)(F)F)c1	ZINC000580776453	1118503359	/nfs/dbraw/zinc/50/33/59/1118503359.db2.gz	UCKCPJRCOADQKM-UHFFFAOYSA-N	-1	0	291.228	3.942	20	30		CHEDRM
O=C(/C=C\c1ccc(Cl)cc1F)c1ccc(O)cc1[O-]	ZINC000782206695	1118513328	/nfs/dbraw/zinc/51/33/28/1118513328.db2.gz	JKWDQFMNRICCSD-KXFIGUGUSA-N	-1	0	292.693	3.786	20	30		CHEDRM
Cc1ccc(F)c(Nc2ccc(F)c(C#N)c2)c1O	ZINC001215738822	1118571805	/nfs/dbraw/zinc/57/18/05/1118571805.db2.gz	BWFLXPRWUGKPQO-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccs2)s1	ZINC000430613059	1118621186	/nfs/dbraw/zinc/62/11/86/1118621186.db2.gz	UJGXELXCPCCANY-SECBINFHSA-N	-1	0	290.413	3.992	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(C(F)F)c2)c1	ZINC000255330981	1118641348	/nfs/dbraw/zinc/64/13/48/1118641348.db2.gz	VHJAOCTUALDXKI-UHFFFAOYSA-N	-1	0	292.241	3.989	20	30		CHEDRM
CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)C	ZINC000076910382	1128793224	/nfs/dbraw/zinc/79/32/24/1128793224.db2.gz	RVQYFPQZYWFXCI-GFCCVEGCSA-N	-1	0	277.430	3.535	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncc(F)cc1F	ZINC000835023246	1118803060	/nfs/dbraw/zinc/80/30/60/1118803060.db2.gz	DARLMMPXTUNOJU-UHFFFAOYSA-N	-1	0	299.321	3.573	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1	ZINC000255414165	1118862587	/nfs/dbraw/zinc/86/25/87/1118862587.db2.gz	JBBKLFWSKWSVLS-SZZPACECSA-N	-1	0	297.383	3.551	20	30		CHEDRM
Cc1sc(Nc2cc(C)cc(C(=O)[O-])c2)c(C#N)c1C	ZINC001211534701	1118929622	/nfs/dbraw/zinc/92/96/22/1118929622.db2.gz	DYIFMZDRGKJSPA-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000617041806	1128813005	/nfs/dbraw/zinc/81/30/05/1128813005.db2.gz	JCNHDAQQHPFPRE-YGRLFVJLSA-N	-1	0	295.329	3.535	20	30		CHEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1	ZINC000046929210	1119075426	/nfs/dbraw/zinc/07/54/26/1119075426.db2.gz	QYLNWYCPVNJDFP-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c(C)c1	ZINC000046929950	1119075649	/nfs/dbraw/zinc/07/56/49/1119075649.db2.gz	CGCGMAJSUARCSO-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
O=C(/C=C\c1ccc(F)nc1)c1ccc2ccccc2c1[O-]	ZINC000588524136	1119096245	/nfs/dbraw/zinc/09/62/45/1119096245.db2.gz	XSQFAEIWZNOEPW-UITAMQMPSA-N	-1	0	293.297	3.976	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211605955	1119451466	/nfs/dbraw/zinc/45/14/66/1119451466.db2.gz	DIHXDIPMKLRLCP-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1C#N	ZINC001211622449	1119583111	/nfs/dbraw/zinc/58/31/11/1119583111.db2.gz	FLIUZYNSRBNLPP-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)c(F)c1F	ZINC001211624460	1119610140	/nfs/dbraw/zinc/61/01/40/1119610140.db2.gz	ISWBBQRUSLOWIB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nc(C2CC2)cs1	ZINC000647372451	1119699845	/nfs/dbraw/zinc/69/98/45/1119699845.db2.gz	MTXNCYPVBVMELI-MRVPVSSYSA-N	-1	0	292.747	3.757	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cs1	ZINC000647379910	1119712294	/nfs/dbraw/zinc/71/22/94/1119712294.db2.gz	XTLHVTHWNHBAPN-LLVKDONJSA-N	-1	0	288.397	3.881	20	30		CHEDRM
Cc1csc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647380090	1119712320	/nfs/dbraw/zinc/71/23/20/1119712320.db2.gz	INVNSKMODVJNCL-JTQLQIEISA-N	-1	0	288.397	3.881	20	30		CHEDRM
Cc1sccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380119	1119712400	/nfs/dbraw/zinc/71/24/00/1119712400.db2.gz	LWASGCMGQBTYMO-LLVKDONJSA-N	-1	0	288.397	3.881	20	30		CHEDRM
O=C(/C=C/C=C/c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749589391	1119773171	/nfs/dbraw/zinc/77/31/71/1119773171.db2.gz	KSZKWWOXJUBXCM-KBXRYBNXSA-N	-1	0	295.294	3.753	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1ccc2ccccc2n1	ZINC000613290531	1119898305	/nfs/dbraw/zinc/89/83/05/1119898305.db2.gz	DYAFBEUYNKQMOE-NSHDSACASA-N	-1	0	296.713	3.971	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000182645773	1120121948	/nfs/dbraw/zinc/12/19/48/1120121948.db2.gz	ABLZGDHNUZIPSZ-JTQLQIEISA-N	-1	0	267.756	3.520	20	30		CHEDRM
C[C@@H](C#N)Oc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000191478164	1120523025	/nfs/dbraw/zinc/52/30/25/1120523025.db2.gz	YHIRWDCVKMRDCR-ZPMKCOPCSA-N	-1	0	299.351	3.641	20	30		CHEDRM
C=CC(C)(C)CCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000628313936	1120920773	/nfs/dbraw/zinc/92/07/73/1120920773.db2.gz	HVDLBZODOGUJIM-UHFFFAOYSA-N	-1	0	285.746	3.517	20	30		CHEDRM
C=CCCCCCCNC(=O)CC1(C(=O)[O-])CCCCC1	ZINC000314540168	1120957891	/nfs/dbraw/zinc/95/78/91/1120957891.db2.gz	XSGJQXQPQYREOE-UHFFFAOYSA-N	-1	0	295.423	3.664	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccccc1C	ZINC000756901454	1120971091	/nfs/dbraw/zinc/97/10/91/1120971091.db2.gz	QMQZIEUTROMKMX-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
CCCCCCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001648934228	1121005394	/nfs/dbraw/zinc/00/53/94/1121005394.db2.gz	SZTDHGFJTDVGBH-UHFFFAOYSA-N	-1	0	287.762	3.885	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1ccc(C(=O)[O-])s1	ZINC001174807495	1121055156	/nfs/dbraw/zinc/05/51/56/1121055156.db2.gz	KXXZIHULMWJXSD-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc(C(=O)[O-])s1	ZINC001174809973	1121055567	/nfs/dbraw/zinc/05/55/67/1121055567.db2.gz	XXKHXHIZERSFOJ-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C(C)(C)C#N)nc1	ZINC001174981152	1121140196	/nfs/dbraw/zinc/14/01/96/1121140196.db2.gz	IJYUGKMMXUIJNJ-UHFFFAOYSA-N	-1	0	295.342	3.633	20	30		CHEDRM
CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1	ZINC000619095330	1128966879	/nfs/dbraw/zinc/96/68/79/1128966879.db2.gz	RGGJFERXTUHWHE-VHRXNPEUSA-N	-1	0	291.354	3.869	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1Cl	ZINC001175157549	1121187861	/nfs/dbraw/zinc/18/78/61/1121187861.db2.gz	HQZDGBXCRIGIRQ-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cc(F)c(Nc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC001175330318	1121286671	/nfs/dbraw/zinc/28/66/71/1121286671.db2.gz	CUEUNPMTPRPBQF-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1ccc(C)c(Nc2cccc(C(=O)[O-])c2)c1C#N	ZINC001175334736	1121288183	/nfs/dbraw/zinc/28/81/83/1121288183.db2.gz	JUTCPDRCEPPDMX-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2csc(C(=O)[O-])c2)cc1	ZINC001176439624	1121622172	/nfs/dbraw/zinc/62/21/72/1121622172.db2.gz	VRSHRGYODNFTSL-SECBINFHSA-N	-1	0	272.329	3.817	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176587943	1121648643	/nfs/dbraw/zinc/64/86/43/1121648643.db2.gz	CXVYIMLJQMZYSL-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
C#CCOc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001176595582	1121650045	/nfs/dbraw/zinc/65/00/45/1121650045.db2.gz	MILPAJWQXQIUKP-LFYBBSHMSA-N	-1	0	293.322	3.540	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176670078	1121671692	/nfs/dbraw/zinc/67/16/92/1121671692.db2.gz	QJMFALZMONJGCO-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
CCCC[C@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000727255073	1121708364	/nfs/dbraw/zinc/70/83/64/1121708364.db2.gz	CDLRVVFNJWGZBC-VIFPVBQESA-N	-1	0	282.775	3.594	20	30		CHEDRM
CC(C)CC[C@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000727255643	1121708533	/nfs/dbraw/zinc/70/85/33/1121708533.db2.gz	LEOHAKBXLVADNE-SNVBAGLBSA-N	-1	0	296.802	3.840	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/C=C\c2ccccc2)cs1	ZINC000730148228	1121794988	/nfs/dbraw/zinc/79/49/88/1121794988.db2.gz	CKMSQMMUBMGCDQ-MVTUOISNSA-N	-1	0	284.336	3.899	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730148826	1121795159	/nfs/dbraw/zinc/79/51/59/1121795159.db2.gz	MRFFUVRUOFVZIF-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730149275	1121796137	/nfs/dbraw/zinc/79/61/37/1121796137.db2.gz	FIAOZCQBSPSQQL-AATRIKPKSA-N	-1	0	272.325	3.651	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000731156792	1121851477	/nfs/dbraw/zinc/85/14/77/1121851477.db2.gz	MDTLWYFJOUUYFR-AATRIKPKSA-N	-1	0	292.381	3.966	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1F	ZINC000731489684	1121870783	/nfs/dbraw/zinc/87/07/83/1121870783.db2.gz	JHLDYZCMQKROLI-TWGQIWQCSA-N	-1	0	298.313	3.657	20	30		CHEDRM
Cc1ccccc1C(N=Nc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000731922250	1121894469	/nfs/dbraw/zinc/89/44/69/1121894469.db2.gz	ANYRJULWFJJFMI-UHFFFAOYSA-N	-1	0	294.354	3.919	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c(C)c1	ZINC000774117555	1122126324	/nfs/dbraw/zinc/12/63/24/1122126324.db2.gz	XWWLTABZUKBOOM-CLFYSBASSA-N	-1	0	280.323	3.898	20	30		CHEDRM
Cc1cccc2c1C/C(=C/c1cccc(C(=O)[O-])c1)C2=O	ZINC000774140152	1122129757	/nfs/dbraw/zinc/12/97/57/1122129757.db2.gz	SZKLTHDDHRTFIS-ZROIWOOFSA-N	-1	0	278.307	3.516	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/Cc3ccc(Cl)cc3C2=O)c1	ZINC000774134538	1122132777	/nfs/dbraw/zinc/13/27/77/1122132777.db2.gz	LFALUYQPOCNXRG-QPEQYQDCSA-N	-1	0	298.725	3.861	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/CCc3cc(F)ccc3C2=O)c1	ZINC000774133004	1122133166	/nfs/dbraw/zinc/13/31/66/1122133166.db2.gz	ZGJGNIXMKAEXTF-JYRVWZFOSA-N	-1	0	296.297	3.736	20	30		CHEDRM
Cc1c(Cl)c(CCCCC#N)ccc1C(=O)[O-]	ZINC001250067187	1122173591	/nfs/dbraw/zinc/17/35/91/1122173591.db2.gz	XUZCNMCSBLBELZ-UHFFFAOYSA-N	-1	0	251.713	3.583	20	30		CHEDRM
C[C@H](C#N)c1ccc(NC(=O)c2cccc([S-])c2)cc1	ZINC001186152796	1122376745	/nfs/dbraw/zinc/37/67/45/1122376745.db2.gz	OSMMFWKMVOBNDE-LLVKDONJSA-N	-1	0	282.368	3.855	20	30		CHEDRM
CCCCCCCCS(=O)(=O)[N-]c1nc(C)cs1	ZINC001187992202	1122450584	/nfs/dbraw/zinc/45/05/84/1122450584.db2.gz	COINVDDRFZRGGF-UHFFFAOYSA-N	-1	0	290.454	3.554	20	30		CHEDRM
CCCCCCC[C@H](C)NC(=O)N[C@H]1[CH]CC=C1	ZINC001192953677	1122663886	/nfs/dbraw/zinc/66/38/86/1122663886.db2.gz	RAZAAERLKFLMLT-UONOGXRCSA-N	-1	0	251.394	3.567	20	30		CHEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)c1	ZINC000048505742	1122691371	/nfs/dbraw/zinc/69/13/71/1122691371.db2.gz	QIZUTMXDXOEWER-UHFFFAOYSA-N	-1	0	295.404	3.611	20	30		CHEDRM
N#Cc1ccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc1	ZINC000439269740	1122766765	/nfs/dbraw/zinc/76/67/65/1122766765.db2.gz	DDMIWTHJVAINPI-VMPITWQZSA-N	-1	0	290.278	3.568	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000048855087	1122941741	/nfs/dbraw/zinc/94/17/41/1122941741.db2.gz	KBPJMCUUYSMSSH-CYBMUJFWSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CC(C)c1nnc([N-]c2ccc(C(F)(F)F)cc2C#N)o1	ZINC001201683829	1123141791	/nfs/dbraw/zinc/14/17/91/1123141791.db2.gz	ZHXXZYSYDDBISZ-UHFFFAOYSA-N	-1	0	296.252	3.827	20	30		CHEDRM
CC(C[C@@H](C)CC(C)C)=NNc1cnnc([O-])c1Cl	ZINC000779765978	1129104370	/nfs/dbraw/zinc/10/43/70/1129104370.db2.gz	BYGATUGSDKWMSX-VIFPVBQESA-N	-1	0	284.791	3.696	20	30		CHEDRM
CCCCOCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000194853956	1129139509	/nfs/dbraw/zinc/13/95/09/1129139509.db2.gz	GPKHXJGDEKNYRD-CXUHLZMHSA-N	-1	0	290.190	3.935	20	30		CHEDRM
O=C([O-])c1cc(/C=C/C(=O)C2CCCCC2)ccc1F	ZINC000863182071	1123850615	/nfs/dbraw/zinc/85/06/15/1123850615.db2.gz	YJQSRIIIHJZBDY-VQHVLOKHSA-N	-1	0	276.307	3.687	20	30		CHEDRM
CCO[C@@]1(C)C[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000864345785	1123924192	/nfs/dbraw/zinc/92/41/92/1123924192.db2.gz	GCMCEPOPIJPUPF-KFMNRCTKSA-N	-1	0	288.174	3.685	20	30		CHEDRM
O=C(/C=C\c1ccc(C(F)F)cc1)c1ccc(O)cc1[O-]	ZINC000794941690	1124093525	/nfs/dbraw/zinc/09/35/25/1124093525.db2.gz	VFYRNNSIUVCJQP-BAQGIRSFSA-N	-1	0	290.265	3.932	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C1/Oc2ccccc2C1=O	ZINC000794941777	1124094453	/nfs/dbraw/zinc/09/44/53/1124094453.db2.gz	XPAHXQDOXQYDHR-CXUHLZMHSA-N	-1	0	294.306	3.618	20	30		CHEDRM
Cc1coc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1C	ZINC001122505662	1131300553	/nfs/dbraw/zinc/30/05/53/1131300553.db2.gz	FDNOKAVXUQFTJC-GFCCVEGCSA-N	-1	0	293.326	3.571	20	30		CHEDRM
C=CCCCCCN(C)Cc1c(F)ccc(O)c1F	ZINC000508630714	1125276004	/nfs/dbraw/zinc/27/60/04/1125276004.db2.gz	GFWFDICTDJRITC-UHFFFAOYSA-N	-1	0	269.335	3.849	20	30		CHEDRM
Oc1ccc(Cl)cc1/C=N/[C@@H]1CCOC2(CCCC2)C1	ZINC000128485296	1125280573	/nfs/dbraw/zinc/28/05/73/1125280573.db2.gz	NESDHCBHTFOACY-XWAFYUISSA-N	-1	0	293.794	3.956	20	30		CHEDRM
N#CC(=C([O-])c1cc(F)cc(F)c1)c1nc2ccccc2o1	ZINC000041547753	1125434342	/nfs/dbraw/zinc/43/43/42/1125434342.db2.gz	HXLWZBCFRKLLCP-LBPRGKRZSA-N	-1	0	298.248	3.596	20	30		CHEDRM
Cc1ccc(C=CC(=O)c2sccc2[O-])s1	ZINC000184517418	1129209754	/nfs/dbraw/zinc/20/97/54/1129209754.db2.gz	GGFXBAHENIPGHG-SNAWJCMRSA-N	-1	0	250.344	3.720	20	30		CHEDRM
Cc1ccc(F)c(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000734980946	1129327783	/nfs/dbraw/zinc/32/77/83/1129327783.db2.gz	KWVQTHYBPQZTTQ-CLFYSBASSA-N	-1	0	298.313	3.657	20	30		CHEDRM
C=CCC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1	ZINC000735609109	1129352317	/nfs/dbraw/zinc/35/23/17/1129352317.db2.gz	NZRAMRDDYDXDRL-UHFFFAOYSA-N	-1	0	298.317	3.916	20	30		CHEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1cccc(OC)c1	ZINC000740760470	1129417743	/nfs/dbraw/zinc/41/77/43/1129417743.db2.gz	DHKGVNRYLXUSEY-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
N#CCN(Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1	ZINC000093563278	1129426141	/nfs/dbraw/zinc/42/61/41/1129426141.db2.gz	NVXVINFSEMFAPT-UHFFFAOYSA-N	-1	0	299.201	3.967	20	30		CHEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1	ZINC000741159982	1129430259	/nfs/dbraw/zinc/43/02/59/1129430259.db2.gz	IJAVXXDNCPVRCV-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
CCCCCC[C@@H](C)NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000743450896	1129525316	/nfs/dbraw/zinc/52/53/16/1129525316.db2.gz	SXHAXCCLXXTMDW-GFCCVEGCSA-N	-1	0	293.367	3.583	20	30		CHEDRM
CCOc1cccc(C(C)N=Nc2ccccc2C(=O)[O-])c1	ZINC000743526169	1129529460	/nfs/dbraw/zinc/52/94/60/1129529460.db2.gz	OBWDJAONBMMRAV-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
Cc1cc(Cl)ccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000767351420	1129787193	/nfs/dbraw/zinc/78/71/93/1129787193.db2.gz	AOMNKRQVRDYYRH-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
O=C(/C=C\c1ccc(F)cc1Cl)c1ccc(O)cc1[O-]	ZINC000767727772	1129809949	/nfs/dbraw/zinc/80/99/49/1129809949.db2.gz	CDXLDSZUTUFSJU-KXFIGUGUSA-N	-1	0	292.693	3.786	20	30		CHEDRM
Cc1ncccc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119255926	1129847619	/nfs/dbraw/zinc/84/76/19/1129847619.db2.gz	LUSOVUNWNOVHSG-GQCTYLIASA-N	-1	0	273.719	3.645	20	30		CHEDRM
COc1ccccc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119254174	1129847922	/nfs/dbraw/zinc/84/79/22/1129847922.db2.gz	RVMLBCQOQGLAQD-SOFGYWHQSA-N	-1	0	288.730	3.950	20	30		CHEDRM
C[C@@H]1CC[C@@H](CN=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000800805126	1129889200	/nfs/dbraw/zinc/88/92/00/1129889200.db2.gz	JOBKMPYEGRPYCV-NXEZZACHSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CS[C@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000901261179	1129912883	/nfs/dbraw/zinc/91/28/83/1129912883.db2.gz	CTZCZUNWKROMLG-LBPRGKRZSA-N	-1	0	292.404	3.767	20	30		CHEDRM
CC(=NNc1cc(F)cc(F)c1)c1sccc1[O-]	ZINC000769779981	1129925134	/nfs/dbraw/zinc/92/51/34/1129925134.db2.gz	JNVLNHIRSLECJH-UHFFFAOYSA-N	-1	0	268.288	3.568	20	30		CHEDRM
O=C(C=Cc1cc(F)ccc1F)c1sccc1[O-]	ZINC000771745466	1129988781	/nfs/dbraw/zinc/98/87/81/1129988781.db2.gz	UHAPSAGFUUQUIP-RJRFIUFISA-N	-1	0	266.268	3.628	20	30		CHEDRM
O=C(C=Cc1ccccc1OC(F)F)c1sccc1[O-]	ZINC000771746279	1129988887	/nfs/dbraw/zinc/98/88/87/1129988887.db2.gz	ZBDIAJQLOPBLFX-WAYWQWQTSA-N	-1	0	296.294	3.951	20	30		CHEDRM
CO/N=C/c1cc(-c2cccc([S-])c2)cc(F)c1F	ZINC001242866681	1130109388	/nfs/dbraw/zinc/10/93/88/1130109388.db2.gz	ABFTWECEDKGRFU-CAOOACKPSA-N	-1	0	279.311	3.901	20	30		CHEDRM
N#Cc1cc(-c2cccc([S-])c2)nc(C(F)(F)F)c1	ZINC001242866417	1130109877	/nfs/dbraw/zinc/10/98/77/1130109877.db2.gz	YAWYVQOGFFMNEU-UHFFFAOYSA-N	-1	0	280.274	3.928	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2cccc([S-])c2)c1	ZINC001242868379	1130111490	/nfs/dbraw/zinc/11/14/90/1130111490.db2.gz	QRAPQAKRZOFUJH-UHFFFAOYSA-N	-1	0	250.326	3.995	20	30		CHEDRM
Cc1cc(/C=C2/Cc3cc(O)ccc3C2=O)ccc1F	ZINC000780188488	1130233870	/nfs/dbraw/zinc/23/38/70/1130233870.db2.gz	SFOQLCBPNKQYSE-QPEQYQDCSA-N	-1	0	268.287	3.662	20	30		CHEDRM
COc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1CC#N	ZINC001240549304	1130351212	/nfs/dbraw/zinc/35/12/12/1130351212.db2.gz	AMELCMVRJAEWNQ-VMPITWQZSA-N	-1	0	293.322	3.526	20	30		CHEDRM
COc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1CC#N	ZINC001240549440	1130352640	/nfs/dbraw/zinc/35/26/40/1130352640.db2.gz	IVWOGPDDCBPCLO-VMPITWQZSA-N	-1	0	293.322	3.526	20	30		CHEDRM
Cc1c(C#N)c(-c2ccc([O-])c(F)c2)nc2ccccc12	ZINC001240782506	1130468293	/nfs/dbraw/zinc/46/82/93/1130468293.db2.gz	FLDIXCIBPIBXPA-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1C	ZINC000772806515	1130472634	/nfs/dbraw/zinc/47/26/34/1130472634.db2.gz	LMQIGPGDEZGGLF-TWGQIWQCSA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C2(C#N)CCC2)cn1	ZINC001240998930	1130557230	/nfs/dbraw/zinc/55/72/30/1130557230.db2.gz	DLIOYBHCJGSLFA-UHFFFAOYSA-N	-1	0	292.338	3.701	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(C)c1	ZINC001241002513	1130559386	/nfs/dbraw/zinc/55/93/86/1130559386.db2.gz	GBUTXLAWSDOKCW-UHFFFAOYSA-N	-1	0	265.312	3.735	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NNc2ccccn2)cc1Cl	ZINC000758097025	1130597620	/nfs/dbraw/zinc/59/76/20/1130597620.db2.gz	ZQXVJESIGRGWQI-UHFFFAOYSA-N	-1	0	282.130	3.540	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOC/C=C\Cl	ZINC000811668332	1130631559	/nfs/dbraw/zinc/63/15/59/1130631559.db2.gz	DTXXOFCJUIJIQR-MTTUKDABSA-N	-1	0	280.538	3.802	20	30		CHEDRM
C#C[C@H](Oc1ccc2[n-]c(=S)sc2c1)C(C)C	ZINC001234424896	1130642921	/nfs/dbraw/zinc/64/29/21/1130642921.db2.gz	OPODVOQEOCRCQX-NSHDSACASA-N	-1	0	263.387	3.622	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C1CC=CC1	ZINC000759643679	1130665608	/nfs/dbraw/zinc/66/56/08/1130665608.db2.gz	ONDVWQOUMKULIX-CHHVJCJISA-N	-1	0	256.132	3.837	20	30		CHEDRM
CC[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759712922	1130671991	/nfs/dbraw/zinc/67/19/91/1130671991.db2.gz	CHLGVQLTCQVWNW-AWEZNQCLSA-N	-1	0	286.375	3.809	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1cccnc1Cl	ZINC001234821578	1130678749	/nfs/dbraw/zinc/67/87/49/1130678749.db2.gz	HKFGUYXEKJFQEJ-SNVBAGLBSA-N	-1	0	276.723	3.683	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1cccc(F)c1F	ZINC001234820280	1130678998	/nfs/dbraw/zinc/67/89/98/1130678998.db2.gz	UNZWFMAOUQQBND-JTQLQIEISA-N	-1	0	277.270	3.913	20	30		CHEDRM
COc1ccc([C@@H](C)Oc2ccccc2C=N[O-])c(F)c1	ZINC001234820491	1130679021	/nfs/dbraw/zinc/67/90/21/1130679021.db2.gz	WLEWTZMOCJIKHF-LLVKDONJSA-N	-1	0	289.306	3.782	20	30		CHEDRM
CC[C@@H](C#Cc1ccccc1)Oc1nc2sccc2[nH]1	ZINC001234847638	1130681069	/nfs/dbraw/zinc/68/10/69/1130681069.db2.gz	KKJPHLVYKOMQEL-ZDUSSCGKSA-N	-1	0	282.368	3.834	20	30		CHEDRM
Cc1ccccc1C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000812445333	1130690969	/nfs/dbraw/zinc/69/09/69/1130690969.db2.gz	UZDXLFNPBMUROI-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
Cc1cccc(C(C)N=Nc2ccccc2C(=O)[O-])c1	ZINC000812442064	1130691074	/nfs/dbraw/zinc/69/10/74/1130691074.db2.gz	OJZIKOHSEZHIDE-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
CC(C)(C#N)CCCOC(=O)c1ccc([O-])c(Cl)c1	ZINC000781987881	1130750888	/nfs/dbraw/zinc/75/08/88/1130750888.db2.gz	QHBXODVAUUNYTJ-UHFFFAOYSA-N	-1	0	281.739	3.532	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccnc(Cl)c1	ZINC000782192878	1130759517	/nfs/dbraw/zinc/75/95/17/1130759517.db2.gz	CDWDPUUTWOCQGB-OWOJBTEDSA-N	-1	0	295.672	3.615	20	30		CHEDRM
Cc1cc(F)ccc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782200924	1130761750	/nfs/dbraw/zinc/76/17/50/1130761750.db2.gz	OTYZSCBXJIFXRB-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)s1	ZINC000782199172	1130762305	/nfs/dbraw/zinc/76/23/05/1130762305.db2.gz	CMJLQRZPXNRVNF-ARJAWSKDSA-N	-1	0	278.354	3.712	20	30		CHEDRM
N#Cc1c(F)ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1F	ZINC001235669148	1130765038	/nfs/dbraw/zinc/76/50/38/1130765038.db2.gz	BUGBLJNWCAOADD-FPYGCLRLSA-N	-1	0	285.249	3.601	20	30		CHEDRM
O=C(/C=C/c1ccc2cnccc2c1)c1ccc([O-])c(F)c1	ZINC000782328721	1130772665	/nfs/dbraw/zinc/77/26/65/1130772665.db2.gz	XPEXTARQRVOTLC-GORDUTHDSA-N	-1	0	293.297	3.976	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235986671	1130823017	/nfs/dbraw/zinc/82/30/17/1130823017.db2.gz	UMSFCKLUIWBLFZ-UHFFFAOYSA-N	-1	0	292.260	3.867	20	30		CHEDRM
N#CCCSc1ccccc1[N-]C(=S)NC1CCC1	ZINC000814196799	1130840322	/nfs/dbraw/zinc/84/03/22/1130840322.db2.gz	KOPPXAGDQHTAJS-UHFFFAOYSA-N	-1	0	291.445	3.531	20	30		CHEDRM
CC(=NOCC1CC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000814245346	1130848642	/nfs/dbraw/zinc/84/86/42/1130848642.db2.gz	XQAMGCVHZSGTMS-UHFFFAOYSA-N	-1	0	299.326	3.795	20	30		CHEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1	ZINC000783769668	1130853753	/nfs/dbraw/zinc/85/37/53/1130853753.db2.gz	HWQOJSKJQBNXEW-ZDUSSCGKSA-N	-1	0	282.343	3.661	20	30		CHEDRM
Cc1ccc(C#N)nc1-c1ccc(C(=O)[O-])c(C)c1Cl	ZINC001236111912	1130868173	/nfs/dbraw/zinc/86/81/73/1130868173.db2.gz	ABNIHOPSVKZBCK-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
Cc1c(Cl)c(-c2ccccc2C=NO)ccc1C(=O)[O-]	ZINC001236128750	1130871206	/nfs/dbraw/zinc/87/12/06/1130871206.db2.gz	NNCFOXHGSXGTRL-UHFFFAOYSA-N	-1	0	289.718	3.822	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(Cl)c(F)c1	ZINC000814862862	1130926163	/nfs/dbraw/zinc/92/61/63/1130926163.db2.gz	SKWIOHZEUIFZCT-UHFFFAOYSA-N	-1	0	298.745	3.912	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000814858746	1130928510	/nfs/dbraw/zinc/92/85/10/1130928510.db2.gz	FQDWWMXKNZJPGK-YDHLFZDLSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1c(F)cccc1Cl	ZINC000814904872	1130934044	/nfs/dbraw/zinc/93/40/44/1130934044.db2.gz	CIMBNZVHFXGPSW-BDAKNGLRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@@H]1C(=NN[C@@H]2CCCC2(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814917775	1130942145	/nfs/dbraw/zinc/94/21/45/1130942145.db2.gz	QUIOPWRFWQOSNG-MBNYWOFBSA-N	-1	0	294.439	3.668	20	30		CHEDRM
COc1ccc(C#N)cc1-c1ccc2oc(=S)[n-]c2c1	ZINC001236542717	1130970087	/nfs/dbraw/zinc/97/00/87/1130970087.db2.gz	IYGPYSYTHYIOKQ-UHFFFAOYSA-N	-1	0	282.324	3.664	20	30		CHEDRM
Cc1csc(C(=O)Nc2cc(C#N)ccc2[O-])c1Cl	ZINC000790821079	1130976617	/nfs/dbraw/zinc/97/66/17/1130976617.db2.gz	GSGGBDLSMRBJEM-UHFFFAOYSA-N	-1	0	292.747	3.540	20	30		CHEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccc(F)cc1	ZINC000748002755	1130993558	/nfs/dbraw/zinc/99/35/58/1130993558.db2.gz	OEYSSOIRNAJLOV-LLVKDONJSA-N	-1	0	298.317	3.535	20	30		CHEDRM
CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748003270	1130996875	/nfs/dbraw/zinc/99/68/75/1130996875.db2.gz	DQQPXMXHTDHAGP-UHFFFAOYSA-N	-1	0	294.354	3.814	20	30		CHEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccccn1	ZINC000815907197	1131029761	/nfs/dbraw/zinc/02/97/61/1131029761.db2.gz	VIPPLRRJEAWKOS-LFGHMXSPSA-N	-1	0	272.323	3.692	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1nc2ccccc2o1	ZINC000815915113	1131034539	/nfs/dbraw/zinc/03/45/39/1131034539.db2.gz	DFZDNVNFNAUGRP-NSHDSACASA-N	-1	0	284.290	3.802	20	30		CHEDRM
N#Cc1cc(C#N)cc(-c2cc(Cl)c([O-])cc2F)c1	ZINC001245672676	1131123442	/nfs/dbraw/zinc/12/34/42/1131123442.db2.gz	YTUNSMQZGAXAHZ-UHFFFAOYSA-N	-1	0	272.666	3.595	20	30		CHEDRM
O=C(/C=C\c1ccc2c(c1)CCC2)c1ccc([O-])c(F)c1	ZINC001116139322	1131130888	/nfs/dbraw/zinc/13/08/88/1131130888.db2.gz	HWZIFYRFPXKEQY-YVMONPNESA-N	-1	0	282.314	3.916	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@H]1CC12CC2	ZINC000818991471	1131224046	/nfs/dbraw/zinc/22/40/46/1131224046.db2.gz	DNXQQZNHNBDAQS-YSIZRHRHSA-N	-1	0	256.132	3.670	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000831732306	1131500599	/nfs/dbraw/zinc/50/05/99/1131500599.db2.gz	GPRCXLVTFLGNEW-SNVBAGLBSA-N	-1	0	290.388	3.591	20	30		CHEDRM
C=CC[C@H](C)C(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001144020153	1131572734	/nfs/dbraw/zinc/57/27/34/1131572734.db2.gz	IKDJDXVXHJSFIV-ZETCQYMHSA-N	-1	0	274.147	3.850	20	30		CHEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC000844590429	1131583070	/nfs/dbraw/zinc/58/30/70/1131583070.db2.gz	WAEAPZMIGSHGEF-LLVKDONJSA-N	-1	0	288.347	3.538	20	30		CHEDRM
C=C(C)CO[N-]C(=O)[C@@H](CCC)c1ccc(Cl)cc1	ZINC001144639665	1131670084	/nfs/dbraw/zinc/67/00/84/1131670084.db2.gz	ABXNDHAAIHJDNY-AWEZNQCLSA-N	-1	0	281.783	3.848	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1C(C)C	ZINC000846543875	1131711816	/nfs/dbraw/zinc/71/18/16/1131711816.db2.gz	CVPGHQHXHJRAQH-DZGCQCFKSA-N	-1	0	291.391	3.590	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccs2)CCCCC1	ZINC000846546262	1131712002	/nfs/dbraw/zinc/71/20/02/1131712002.db2.gz	UKBUARFZTIGHNF-LBPRGKRZSA-N	-1	0	279.405	3.572	20	30		CHEDRM
C[C@@]12C[C@@H]1CCCC2N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835007907	1131753417	/nfs/dbraw/zinc/75/34/17/1131753417.db2.gz	BPLVMFHCVZRXSC-ZUZCIYMTSA-N	-1	0	276.311	3.502	20	30		CHEDRM
C#CCCCCCCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009439	1131753675	/nfs/dbraw/zinc/75/36/75/1131753675.db2.gz	VVLBPPXHRQGUDR-UHFFFAOYSA-N	-1	0	276.311	3.505	20	30		CHEDRM
CC(=NNCc1ccccc1F)[C@@H](C)CCCCC(=O)[O-]	ZINC000835012176	1131755427	/nfs/dbraw/zinc/75/54/27/1131755427.db2.gz	XRRLZYAZTIVBND-LBPRGKRZSA-N	-1	0	294.370	3.572	20	30		CHEDRM
C=CCc1ccc(O[C@@H](C)C2=CC=C[CH]2)c(OC)c1	ZINC001227927089	1131770292	/nfs/dbraw/zinc/77/02/92/1131770292.db2.gz	QQRQKJHIHQGFES-ZDUSSCGKSA-N	-1	0	255.337	3.891	20	30		CHEDRM
CCCCCCCNC(=O)c1ccc(CC)cc1O	ZINC001148483186	1131858397	/nfs/dbraw/zinc/85/83/97/1131858397.db2.gz	AGWLWBLOOIMTHE-UHFFFAOYSA-N	-1	0	263.381	3.655	20	30		CHEDRM
Cc1cc(F)ccc1C=CC(=O)c1sccc1[O-]	ZINC000773147957	1131962276	/nfs/dbraw/zinc/96/22/76/1131962276.db2.gz	FEYJNLFWNOWXFG-HYXAFXHYSA-N	-1	0	262.305	3.797	20	30		CHEDRM
Cc1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000773147962	1131963492	/nfs/dbraw/zinc/96/34/92/1131963492.db2.gz	FJUHNEBFMIWARB-PLNGDYQASA-N	-1	0	262.305	3.797	20	30		CHEDRM
CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000773191545	1131982165	/nfs/dbraw/zinc/98/21/65/1131982165.db2.gz	UFQGXBBURLQMBC-TZMCWYRMSA-N	-1	0	272.348	3.775	20	30		CHEDRM
C[C@@H](Oc1cc(Br)cc(C#N)c1)C1=CC=C[CH]1	ZINC001229282533	1132047588	/nfs/dbraw/zinc/04/75/88/1132047588.db2.gz	GXPNXCSXZVYAML-SNVBAGLBSA-N	-1	0	289.152	3.789	20	30		CHEDRM
C[C@@H]1CC[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])O1	ZINC000840708364	1132273013	/nfs/dbraw/zinc/27/30/13/1132273013.db2.gz	ALMTXJSWAFRNJP-UGJQMRQPSA-N	-1	0	288.174	3.685	20	30		CHEDRM
C=C(C)C(=O)Nc1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1	ZINC001231318981	1132280423	/nfs/dbraw/zinc/28/04/23/1132280423.db2.gz	YOOVWOPGZFDHCE-ZDUSSCGKSA-N	-1	0	268.336	3.669	20	30		CHEDRM
CCCCCCCCC[C@@H](CCC)NCS(=O)(=O)[O-]	ZINC001173283928	1132456704	/nfs/dbraw/zinc/45/67/04/1132456704.db2.gz	AKUKOTUUGYVZRD-CQSZACIVSA-N	-1	0	293.473	3.731	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)CCCC(C)C)c1C#N	ZINC001233919275	1132698539	/nfs/dbraw/zinc/69/85/39/1132698539.db2.gz	CULVPWHTKYUWCS-LBPRGKRZSA-N	-1	0	262.353	3.561	20	30		CHEDRM
C=C1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1	ZINC001161636303	1133012719	/nfs/dbraw/zinc/01/27/19/1133012719.db2.gz	SCEYBIXPPZXXGE-UHFFFAOYSA-N	-1	0	299.757	3.725	20	30		CHEDRM
CC(C)(Nc1ccccc1C(=O)[O-])c1ccc(C#N)cc1	ZINC001165742578	1133249541	/nfs/dbraw/zinc/24/95/41/1133249541.db2.gz	IKJVKQBJFFDSMI-UHFFFAOYSA-N	-1	0	280.327	3.604	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205100191	1133528460	/nfs/dbraw/zinc/52/84/60/1133528460.db2.gz	HWEBVMMFOASRSP-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1cnc2cc(-c3ccsc3C(=O)[O-])ccc2c1	ZINC001205609794	1133594101	/nfs/dbraw/zinc/59/41/01/1133594101.db2.gz	FOEJICZKAXJNET-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
Cc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc(F)c1C#N	ZINC001206045130	1133648335	/nfs/dbraw/zinc/64/83/35/1133648335.db2.gz	HCQIALOQQYQXLR-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)cc1F	ZINC001210010064	1134122422	/nfs/dbraw/zinc/12/24/22/1134122422.db2.gz	HWRBKQYUPAOHAS-UHFFFAOYSA-N	-1	0	287.265	3.696	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C#N	ZINC001210399817	1134208980	/nfs/dbraw/zinc/20/89/80/1134208980.db2.gz	WAFHSJUFMORVOI-UHFFFAOYSA-N	-1	0	283.287	3.533	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cccc([O-])c2Cl)c1	ZINC001210855183	1134313684	/nfs/dbraw/zinc/31/36/84/1134313684.db2.gz	JZEVOLITMNWBKV-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
COc1cc(C#N)c(Nc2cccc([S-])c2)cc1OC	ZINC001210947782	1134336946	/nfs/dbraw/zinc/33/69/46/1134336946.db2.gz	YIVRLMOAJKDXTI-UHFFFAOYSA-N	-1	0	286.356	3.608	20	30		CHEDRM
CC(=O)Nc1ccc(Nc2cccc([S-])c2)cc1C#N	ZINC001210949879	1134338206	/nfs/dbraw/zinc/33/82/06/1134338206.db2.gz	JVAISXFSPQVJCY-UHFFFAOYSA-N	-1	0	283.356	3.549	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3cc(F)c([O-])cc3F)cc12	ZINC001211349815	1134411447	/nfs/dbraw/zinc/41/14/47/1134411447.db2.gz	HHIQIWAZXAJAFW-UHFFFAOYSA-N	-1	0	270.238	3.690	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])c(N)c1	ZINC001213363561	1134443537	/nfs/dbraw/zinc/44/35/37/1134443537.db2.gz	FEKQAGMGMLRJCQ-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
N#Cc1ccc(Nc2c(Cl)ccc([O-])c2F)c(C#N)c1	ZINC001214564541	1134552096	/nfs/dbraw/zinc/55/20/96/1134552096.db2.gz	FSTLFKJSJYZSMH-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
C#Cc1cccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001214743400	1134568416	/nfs/dbraw/zinc/56/84/16/1134568416.db2.gz	VXAJXYPELWXQBV-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
COc1ccc(Nc2ccc(Cl)c([O-])c2F)cc1C#N	ZINC001214801169	1134574627	/nfs/dbraw/zinc/57/46/27/1134574627.db2.gz	BTPHXSDWPHPBON-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccsc2C(=O)[O-])cc1F	ZINC001215397964	1134623643	/nfs/dbraw/zinc/62/36/43/1134623643.db2.gz	VQCPSQDJOOHZCS-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215463865	1134629808	/nfs/dbraw/zinc/62/98/08/1134629808.db2.gz	SIISUMWHANNZEF-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C)c1C	ZINC001215974651	1134737729	/nfs/dbraw/zinc/73/77/29/1134737729.db2.gz	UVDQYIXKDOFJAA-UHFFFAOYSA-N	-1	0	286.306	3.772	20	30		CHEDRM
CC(C)c1ccc(N)c(Nc2scc([O-])c2C#N)c1	ZINC001216020802	1134751556	/nfs/dbraw/zinc/75/15/56/1134751556.db2.gz	NGGCOVUXQUSRTR-UHFFFAOYSA-N	-1	0	273.361	3.775	20	30		CHEDRM
N#Cc1cc(Nc2cccc(Cl)c2C#N)c([O-])cc1F	ZINC001216128364	1134787317	/nfs/dbraw/zinc/78/73/17/1134787317.db2.gz	UWEFLGBQHYXXPN-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
COc1cc(C#N)cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1	ZINC001216312810	1134846366	/nfs/dbraw/zinc/84/63/66/1134846366.db2.gz	SHYYKFYOWKFLOW-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
C#Cc1cc(Nc2cccc(C(=O)[O-])c2C)ccc1F	ZINC001216661250	1134941123	/nfs/dbraw/zinc/94/11/23/1134941123.db2.gz	CLQDCQWPHCNRJS-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
O=C([O-])c1cc(F)c(-c2ccc(CS)cc2)c(F)c1	ZINC001222413115	1135238707	/nfs/dbraw/zinc/23/87/07/1135238707.db2.gz	XEPUPRDTFNZTMV-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
CCCCCCCCCC[C@H](C)OCCS(=O)(=O)[O-]	ZINC001224570436	1135460719	/nfs/dbraw/zinc/46/07/19/1135460719.db2.gz	BCVZWHHRBXIPDK-AWEZNQCLSA-N	-1	0	294.457	3.810	20	30		CHEDRM
C#C[C@@H](Oc1c(F)c(F)c([O-])c(F)c1F)c1ccccc1	ZINC001225880526	1135633426	/nfs/dbraw/zinc/63/34/26/1135633426.db2.gz	VWULRECLVKYNFG-SECBINFHSA-N	-1	0	296.219	3.702	20	30		CHEDRM
C=C[C@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1	ZINC001225977092	1135646865	/nfs/dbraw/zinc/64/68/65/1135646865.db2.gz	FSINCMYFDDYGBH-JTQLQIEISA-N	-1	0	296.248	3.507	20	30		CHEDRM
CC(C)[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226008503	1135652072	/nfs/dbraw/zinc/65/20/72/1135652072.db2.gz	HRMFKYDNOVZKLE-AWEZNQCLSA-N	-1	0	286.306	3.574	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2csc(Cl)c2)c1C#N	ZINC001226222050	1135674073	/nfs/dbraw/zinc/67/40/73/1135674073.db2.gz	TZTTTYOZXXUCNG-QMMMGPOBSA-N	-1	0	294.763	3.822	20	30		CHEDRM
C=CCc1c(O)ccc(C(C)=O)c1O[C@H](C)C1=CC=C[CH]1	ZINC001227120687	1135788626	/nfs/dbraw/zinc/78/86/26/1135788626.db2.gz	QNMMXUDCZUIDQF-CYBMUJFWSA-N	-1	0	283.347	3.791	20	30		CHEDRM
Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000175122025	261209287	/nfs/dbraw/zinc/20/92/87/261209287.db2.gz	MPXGXEDRIYSSNX-SNVBAGLBSA-N	-1	0	282.324	3.688	20	30		CHEDRM
C[C@@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000271225191	262994994	/nfs/dbraw/zinc/99/49/94/262994994.db2.gz	QMJZSDUIXCHHAZ-YVPOMQJGSA-N	-1	0	288.174	3.685	20	30		CHEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000331231147	264153373	/nfs/dbraw/zinc/15/33/73/264153373.db2.gz	HSAPEDOALRVCGG-OIBJUYFYSA-N	-1	0	299.157	3.696	20	30		CHEDRM
CC(C)(C#N)CNC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000331240338	264176184	/nfs/dbraw/zinc/17/61/84/264176184.db2.gz	POSFQNZZFLIIEH-UHFFFAOYSA-N	-1	0	287.146	3.553	20	30		CHEDRM
C=CCCCCCNC(=O)c1ccc([O-])c(Cl)c1	ZINC000563402630	328062652	/nfs/dbraw/zinc/06/26/52/328062652.db2.gz	GQXXVMFMJINJDI-UHFFFAOYSA-N	-1	0	267.756	3.522	20	30		CHEDRM
CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000171960368	329082684	/nfs/dbraw/zinc/08/26/84/329082684.db2.gz	ZTUWQBIOLFHRIQ-SECBINFHSA-N	-1	0	298.323	3.633	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCC1	ZINC000263335544	330052439	/nfs/dbraw/zinc/05/24/39/330052439.db2.gz	QTZYQHSVRLZDSB-LBPRGKRZSA-N	-1	0	287.359	3.560	20	30		CHEDRM
C=C(C)COc1cccc(NC2CCC(C(=O)[O-])CC2)c1	ZINC000263453042	330056476	/nfs/dbraw/zinc/05/64/76/330056476.db2.gz	GSCUTNKNKSMMLA-UHFFFAOYSA-N	-1	0	289.375	3.697	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000080451302	330131080	/nfs/dbraw/zinc/13/10/80/330131080.db2.gz	NFMDYKHIPXVKSN-JTQLQIEISA-N	-1	0	274.345	3.658	20	30		CHEDRM
C=CCOc1ccccc1CNc1cccc(C(=O)[O-])c1C	ZINC000315424169	330475400	/nfs/dbraw/zinc/47/54/00/330475400.db2.gz	KAUMYEYXINPGRQ-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1Cl	ZINC000435749014	330662159	/nfs/dbraw/zinc/66/21/59/330662159.db2.gz	QRBMRSBNVVGEAM-XQRVVYSFSA-N	-1	0	298.729	3.784	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCCC1	ZINC000457287671	331218259	/nfs/dbraw/zinc/21/82/59/331218259.db2.gz	GTRBGDLZDJZBJQ-UHFFFAOYSA-N	-1	0	281.302	3.745	20	30		CHEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000177947128	333066011	/nfs/dbraw/zinc/06/60/11/333066011.db2.gz	PRAOGOAJVRVIPP-LBPRGKRZSA-N	-1	0	294.310	3.782	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)[O-])s1	ZINC000564350683	334156366	/nfs/dbraw/zinc/15/63/66/334156366.db2.gz	NYGTUCVNIHUCDH-YOEHRIQHSA-N	-1	0	295.363	3.575	20	30		CHEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000345831398	534787372	/nfs/dbraw/zinc/78/73/72/534787372.db2.gz	FSMPANTYHIAVPM-VIFPVBQESA-N	-1	0	299.380	3.551	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)C2	ZINC000730948306	599804607	/nfs/dbraw/zinc/80/46/07/599804607.db2.gz	CHGWXJFQROEJLV-OQLLNIDSSA-N	-1	0	278.307	3.516	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000109116421	600167142	/nfs/dbraw/zinc/16/71/42/600167142.db2.gz	MRQWJKYMDIPCIA-UHFFFAOYSA-N	-1	0	281.327	3.823	20	30		CHEDRM
N#Cc1ccc(Cl)cc1NCc1ccc(C(=O)[O-])cc1	ZINC000062784863	600205353	/nfs/dbraw/zinc/20/53/53/600205353.db2.gz	MRJJFANADLPICO-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
CCCc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000737044930	600590290	/nfs/dbraw/zinc/59/02/90/600590290.db2.gz	KTFBRMSSAXCUPT-KRWDZBQOSA-N	-1	0	294.354	3.749	20	30		CHEDRM
CCCCCC[C@@H](C)NN=Cc1cc(C(=O)[O-])c(C)o1	ZINC000829357716	600724230	/nfs/dbraw/zinc/72/42/30/600724230.db2.gz	VAQMSSJQABYCHL-LLVKDONJSA-N	-1	0	280.368	3.569	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc(C)c1F	ZINC000738320546	600816823	/nfs/dbraw/zinc/81/68/23/600816823.db2.gz	UJOHSPJILFBWAY-ONEGZZNKSA-N	-1	0	288.274	3.630	20	30		CHEDRM
CC(C)(C#N)CCCSCc1cccc(C(=O)[O-])c1	ZINC000826071250	601346718	/nfs/dbraw/zinc/34/67/18/601346718.db2.gz	KJWMBOIYISYKJU-UHFFFAOYSA-N	-1	0	277.389	3.948	20	30		CHEDRM
CCCCC[C@@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000829312680	601365890	/nfs/dbraw/zinc/36/58/90/601365890.db2.gz	YMXHZIQADLPHOG-PUMYGXPMSA-N	-1	0	299.370	3.998	20	30		CHEDRM
N#Cc1cc(Cl)ccc1NCc1cccc(C(=O)[O-])c1	ZINC000052856270	601931791	/nfs/dbraw/zinc/93/17/91/601931791.db2.gz	GAKUUWAYVLRSQM-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000738397555	602563485	/nfs/dbraw/zinc/56/34/85/602563485.db2.gz	SJORKPHNMGXHIJ-UHFFFAOYSA-N	-1	0	284.290	3.690	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc(C)c1O	ZINC000832881078	604627106	/nfs/dbraw/zinc/62/71/06/604627106.db2.gz	KRWGROBSBQEQMW-FPYGCLRLSA-N	-1	0	296.322	3.603	20	30		CHEDRM
Cc1ccsc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832984420	604628345	/nfs/dbraw/zinc/62/83/45/604628345.db2.gz	PWFQYZPVCAKUDQ-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1	ZINC000833310943	604628944	/nfs/dbraw/zinc/62/89/44/604628944.db2.gz	ZYBYAPIHUUTJEA-FNORWQNLSA-N	-1	0	292.743	3.996	20	30		CHEDRM
CC(=NNc1ccc(C)cc1)c1ccc(C(=O)[O-])cc1	ZINC000825804806	604632728	/nfs/dbraw/zinc/63/27/28/604632728.db2.gz	XCUIZJHOEGNUMR-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
C#CCCCCC(=O)Oc1c(C(=O)[O-])ccc2ccccc21	ZINC000833362707	605020569	/nfs/dbraw/zinc/02/05/69/605020569.db2.gz	GJXPWWPQFDZZFV-UHFFFAOYSA-N	-1	0	296.322	3.637	20	30		CHEDRM
CC(=NOC1CCCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814894083	605040599	/nfs/dbraw/zinc/04/05/99/605040599.db2.gz	IWAFYRWCMLEGCO-LLVKDONJSA-N	-1	0	255.358	3.603	20	30		CHEDRM
C[C@H]1C/C(=C\c2ccc(C(=O)[O-])o2)C(=O)c2ccccc21	ZINC000833585623	605052182	/nfs/dbraw/zinc/05/21/82/605052182.db2.gz	AOYVKXHFJYBWCV-SPQRFVMMSA-N	-1	0	282.295	3.751	20	30		CHEDRM
C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1cccc(C#N)c1	ZINC000833526329	605302106	/nfs/dbraw/zinc/30/21/06/605302106.db2.gz	TYMVOFXCGHLMNP-JTQLQIEISA-N	-1	0	299.305	3.960	20	30		CHEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000783817362	605328803	/nfs/dbraw/zinc/32/88/03/605328803.db2.gz	SEIWQYPPGRDFND-VXGBXAGGSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C=CCCCCCOc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC000384983728	971973868	/nfs/dbraw/zinc/97/38/68/971973868.db2.gz	WAKSNVLNODPRFL-LUAWRHEFSA-N	-1	0	290.359	3.918	20	30		CHEDRM
CCCCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000385686658	972008811	/nfs/dbraw/zinc/00/88/11/972008811.db2.gz	FEBFJVSXZOSCLL-OAHLLOKOSA-N	-1	0	297.439	3.887	20	30		CHEDRM
CCCCCCCCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000059213257	957561097	/nfs/dbraw/zinc/56/10/97/957561097.db2.gz	QXUNJWGJPCIBFA-UHFFFAOYSA-N	-1	0	283.412	3.641	20	30		CHEDRM
CCCCCCCC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000059211613	957561333	/nfs/dbraw/zinc/56/13/33/957561333.db2.gz	FCOVRDODGIJRJM-UHFFFAOYSA-N	-1	0	283.412	3.641	20	30		CHEDRM
CCCCCCCCC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000105714541	958368351	/nfs/dbraw/zinc/36/83/51/958368351.db2.gz	WOAOSVFWRVSOQQ-OAHLLOKOSA-N	-1	0	297.439	3.840	20	30		CHEDRM
CCCCCCCCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000136707655	958907151	/nfs/dbraw/zinc/90/71/51/958907151.db2.gz	WELPPTSOBFUGJC-ZDUSSCGKSA-N	-1	0	285.428	3.743	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001573841248	961076578	/nfs/dbraw/zinc/07/65/78/961076578.db2.gz	RMDTTYSUVRFQHT-LSDHHAIUSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C[C@@H]1CCC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000729641821	1125481095	/nfs/dbraw/zinc/48/10/95/1125481095.db2.gz	YTQZSEDSSYUMPQ-BIPXCXPJSA-N	-1	0	282.727	3.561	20	30		CHEDRM
C=CC(C)(C)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001573347256	962947525	/nfs/dbraw/zinc/94/75/25/962947525.db2.gz	KAACXMQWVQNGCO-CQSZACIVSA-N	-1	0	288.343	3.518	20	30		CHEDRM
C=CC1(CC(=O)N[C@H](CCCCC)C(=O)[O-])CCCCC1	ZINC001573351468	962977908	/nfs/dbraw/zinc/97/79/08/962977908.db2.gz	UHRHHOXYKONSSB-CQSZACIVSA-N	-1	0	295.423	3.663	20	30		CHEDRM
C=CC[C@H](Sc1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC001573352750	962991442	/nfs/dbraw/zinc/99/14/42/962991442.db2.gz	JESWSDGFCKWGEE-AWEZNQCLSA-N	-1	0	262.374	3.687	20	30		CHEDRM
CC(C)c1ccc(NCc2cccc(C(=O)[O-])c2C#N)cc1	ZINC001591968141	976565749	/nfs/dbraw/zinc/56/57/49/976565749.db2.gz	JLZYPEKYMBDZSX-UHFFFAOYSA-N	-1	0	294.354	3.992	20	30		CHEDRM
C[C@H](CCN=Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000755602223	978696524	/nfs/dbraw/zinc/69/65/24/978696524.db2.gz	UKGSQHLVKVVFLR-CYBMUJFWSA-N	-1	0	282.343	3.976	20	30		CHEDRM
CCCC(Cc1ccccc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371131	978722776	/nfs/dbraw/zinc/72/27/76/978722776.db2.gz	ZXICOLMAYVJTJO-UHFFFAOYSA-N	-1	0	297.358	3.591	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774136693	978746465	/nfs/dbraw/zinc/74/64/65/978746465.db2.gz	CSWIKTSNECQONL-WAYWQWQTSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1ccc(C)c(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814753773	978880548	/nfs/dbraw/zinc/88/05/48/978880548.db2.gz	ZJOCSAPYMZYTTO-OLZOCXBDSA-N	-1	0	274.364	3.592	20	30		CHEDRM
CSc1ccc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000814768618	978883380	/nfs/dbraw/zinc/88/33/80/978883380.db2.gz	FOLJDJYGEFDSIE-UHFFFAOYSA-N	-1	0	292.385	3.614	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(Cl)c2F)CC[C@H]1CC(=O)[O-]	ZINC000814818710	978888222	/nfs/dbraw/zinc/88/82/22/978888222.db2.gz	FVVWFWIQQPUBTK-IUCAKERBSA-N	-1	0	298.745	3.768	20	30		CHEDRM
Cc1cc(C)c(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c(C)c1	ZINC000814860332	978893909	/nfs/dbraw/zinc/89/39/09/978893909.db2.gz	PMCSDUQCFNOALY-UONOGXRCSA-N	-1	0	288.391	3.901	20	30		CHEDRM
Cc1cc(C)c(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c(C)c1	ZINC000814860330	978894095	/nfs/dbraw/zinc/89/40/95/978894095.db2.gz	PMCSDUQCFNOALY-KBPBESRZSA-N	-1	0	288.391	3.901	20	30		CHEDRM
CC(=NN[C@@H]1CCCC1(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000814917468	978898690	/nfs/dbraw/zinc/89/86/90/978898690.db2.gz	LTTQKISUAMFRLU-TZMCWYRMSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@H]1CCCC[C@H]1CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414881	979467965	/nfs/dbraw/zinc/46/79/65/979467965.db2.gz	SOQKUIZDNKBNHK-JSGCOSHPSA-N	-1	0	274.364	3.538	20	30		CHEDRM
C[C@@H]1C(N=Nc2cc(F)cc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000853395773	979607164	/nfs/dbraw/zinc/60/71/64/979607164.db2.gz	KKZQHXFEQRLFDB-IUCAKERBSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000908682950	981338939	/nfs/dbraw/zinc/33/89/39/981338939.db2.gz	APPRLIGRFNCYSN-AWEZNQCLSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910947585	982172556	/nfs/dbraw/zinc/17/25/56/982172556.db2.gz	HVRQRIROQVORIR-OAHLLOKOSA-N	-1	0	293.388	3.648	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588605825	983694761	/nfs/dbraw/zinc/69/47/61/983694761.db2.gz	PIPASMZOEHVGRX-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=CC[C@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-]	ZINC001588752440	984081168	/nfs/dbraw/zinc/08/11/68/984081168.db2.gz	WQQZJTXQAZWXGQ-WDEREUQCSA-N	-1	0	291.244	3.701	20	30		CHEDRM
C=CC[C@H](S[C@@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588758271	984105543	/nfs/dbraw/zinc/10/55/43/984105543.db2.gz	FHMCGLZDFKEPMA-GWCFXTLKSA-N	-1	0	266.362	3.519	20	30		CHEDRM
C=CC[C@H](SCc1ccccc1Cl)C(=O)[O-]	ZINC001588758727	984107448	/nfs/dbraw/zinc/10/74/48/984107448.db2.gz	IYADEXFADDCGMV-NSHDSACASA-N	-1	0	256.754	3.603	20	30		CHEDRM
C=CC[C@H]1CC[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC001588770639	984135211	/nfs/dbraw/zinc/13/52/11/984135211.db2.gz	BRHPDTLLOAODCH-WCQYABFASA-N	-1	0	275.348	3.550	20	30		CHEDRM
C=CCC1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCCC1	ZINC001588771673	984140805	/nfs/dbraw/zinc/14/08/05/984140805.db2.gz	XLSZVKLKSDHAPE-UHFFFAOYSA-N	-1	0	298.342	3.823	20	30		CHEDRM
C=CCN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1ccccc1	ZINC001588831645	984315652	/nfs/dbraw/zinc/31/56/52/984315652.db2.gz	GINDSOSNTQLVSU-QGZVFWFLSA-N	-1	0	299.345	3.640	20	30		CHEDRM
CC(=NNc1cccc(F)c1F)c1cc(C(=O)[O-])cs1	ZINC001589017424	985003714	/nfs/dbraw/zinc/00/37/14/985003714.db2.gz	NQCIPFJYEZTYBU-UHFFFAOYSA-N	-1	0	296.298	3.561	20	30		CHEDRM
CC(C)(C#N)Cc1cccc(-c2cncc(C(=O)[O-])c2)c1	ZINC001589557815	987307762	/nfs/dbraw/zinc/30/77/62/987307762.db2.gz	HVMQHLGZQNATMB-UHFFFAOYSA-N	-1	0	280.327	3.539	20	30		CHEDRM
CS[C@@H]1CCCC(N=Nc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001599788888	987973335	/nfs/dbraw/zinc/97/33/35/987973335.db2.gz	JBJNRZATRTYZQI-LLVKDONJSA-N	-1	0	296.367	3.597	20	30		CHEDRM
CCc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC001597551111	988271049	/nfs/dbraw/zinc/27/10/49/988271049.db2.gz	BGTXIKLXPRVQIK-LBPRGKRZSA-N	-1	0	294.354	3.992	20	30		CHEDRM
Cc1ccsc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000007333325	1123249044	/nfs/dbraw/zinc/24/90/44/1123249044.db2.gz	PDXUFXYIDCEGAI-NSCUHMNNSA-N	-1	0	278.354	3.712	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)Nc1c(C)[nH][nH]c1=O	ZINC000854634346	1123490633	/nfs/dbraw/zinc/49/06/33/1123490633.db2.gz	AMDKSBLAKXIIDA-LLVKDONJSA-N	-1	0	281.400	3.749	20	30		CHEDRM
CCC[C@H](C)[C@@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919307	1132698452	/nfs/dbraw/zinc/69/84/52/1132698452.db2.gz	GIHYBUZLHYRRDR-GXFFZTMASA-N	-1	0	262.353	3.561	20	30		CHEDRM
C[C@@H](Oc1ccccc1[S-])c1ccccc1C#N	ZINC001225585764	1135591183	/nfs/dbraw/zinc/59/11/83/1135591183.db2.gz	BFEIZIDSGSSKNX-LLVKDONJSA-N	-1	0	255.342	3.987	20	30		CHEDRM
Cc1oc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1C	ZINC001211960805	1125525823	/nfs/dbraw/zinc/52/58/23/1125525823.db2.gz	NPTFTQRFZGADGT-UHFFFAOYSA-N	-1	0	290.706	3.863	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C#N	ZINC001211966786	1125535417	/nfs/dbraw/zinc/53/54/17/1125535417.db2.gz	LNGTYWOLCZLRKX-UHFFFAOYSA-N	-1	0	297.701	3.525	20	30		CHEDRM
Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001211965262	1125531724	/nfs/dbraw/zinc/53/17/24/1125531724.db2.gz	WLIHOLHBMUIQHZ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
C=CCC1(C=NNc2cnnc([O-])c2Cl)CCCCC1	ZINC000884407689	1125562635	/nfs/dbraw/zinc/56/26/35/1125562635.db2.gz	KSLOPCLDTBPEAM-UHFFFAOYSA-N	-1	0	294.786	3.760	20	30		CHEDRM
COc1cc(/C=C\C(=O)c2ccc(C)cc2[O-])cc(OC)c1	ZINC000757476369	1125773706	/nfs/dbraw/zinc/77/37/06/1125773706.db2.gz	QJFOEVXOEJUEBH-ALCCZGGFSA-N	-1	0	298.338	3.614	20	30		CHEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1	ZINC000905005667	1126886429	/nfs/dbraw/zinc/88/64/29/1126886429.db2.gz	HVBKFHQPHNFIFD-UHFFFAOYSA-N	-1	0	287.359	3.632	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000907597437	1126981178	/nfs/dbraw/zinc/98/11/78/1126981178.db2.gz	RMPSYTLKUHYJTL-GFCCVEGCSA-N	-1	0	289.375	3.590	20	30		CHEDRM
CCCCN(CCC#N)Cc1cc(Cl)c([O-])cc1F	ZINC001238147948	1131174439	/nfs/dbraw/zinc/17/44/39/1131174439.db2.gz	NXNVNHDCYAHJIB-UHFFFAOYSA-N	-1	0	284.762	3.700	20	30		CHEDRM
C=CCCCCCC[C@@H](C)OCCCC[P@@](=O)([O-])O	ZINC001225019323	1127322467	/nfs/dbraw/zinc/32/24/67/1127322467.db2.gz	VWCXGJZIXIBFGZ-CQSZACIVSA-N	-1	0	292.356	3.876	20	30		CHEDRM
Cc1ccc(F)cc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000777916044	1128323503	/nfs/dbraw/zinc/32/35/03/1128323503.db2.gz	TYTNWUYTZOVQIE-CLFYSBASSA-N	-1	0	298.313	3.657	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)ccc1C	ZINC000916255333	1128412603	/nfs/dbraw/zinc/41/26/03/1128412603.db2.gz	SLPZHNNLZQLNTJ-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
COc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc1C	ZINC000915988775	1128401887	/nfs/dbraw/zinc/40/18/87/1128401887.db2.gz	HCWMTONMVIKJLB-PXNMLYILSA-N	-1	0	296.322	3.634	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1c(F)cccc1F)O2	ZINC000915988817	1128401962	/nfs/dbraw/zinc/40/19/62/1128401962.db2.gz	IOLPGEJUPXFBKD-VGOFMYFVSA-N	-1	0	288.249	3.595	20	30		CHEDRM
O=C([O-])c1cc(N=NC[C@H]2CC=CCC2)ccc1Cl	ZINC000916259357	1128412192	/nfs/dbraw/zinc/41/21/92/1128412192.db2.gz	HMUYBGLZSAQQBH-JTQLQIEISA-N	-1	0	278.739	3.792	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1	ZINC000916240520	1128412344	/nfs/dbraw/zinc/41/23/44/1128412344.db2.gz	FCSIUGVYPJRRBL-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1	ZINC000916240745	1128412376	/nfs/dbraw/zinc/41/23/76/1128412376.db2.gz	NWFCEZOGPAIEFB-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
C/C(=C\c1ccc(C)cc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000778942384	1128670623	/nfs/dbraw/zinc/67/06/23/1128670623.db2.gz	HDHKTEVRTBLNKB-UKTHLTGXSA-N	-1	0	292.338	3.614	20	30		CHEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048408098	1128707141	/nfs/dbraw/zinc/70/71/41/1128707141.db2.gz	VYLVKZHKTVLRKC-NSHDSACASA-N	-1	0	291.372	3.531	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])cc1	ZINC000578523903	1128720192	/nfs/dbraw/zinc/72/01/92/1128720192.db2.gz	VCDRHQCTZFZUET-IEBWSBKVSA-N	-1	0	289.334	3.514	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1ccccn1	ZINC000255026572	1117995565	/nfs/dbraw/zinc/99/55/65/1117995565.db2.gz	VHRIFBPCNXGLAV-APSNUPSMSA-N	-1	0	281.142	3.713	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000213701585	1118187616	/nfs/dbraw/zinc/18/76/16/1118187616.db2.gz	QRBNUCYXJXYUIV-VURMDHGXSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1cccc([O-])c1Cl	ZINC001210555275	1118325427	/nfs/dbraw/zinc/32/54/27/1118325427.db2.gz	WTQGTRBXUBANSS-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2c(F)cc(Cl)cc2F)s1	ZINC000334305108	1118549104	/nfs/dbraw/zinc/54/91/04/1118549104.db2.gz	GEVQVOFBJQIRIP-UHFFFAOYSA-N	-1	0	298.701	3.804	20	30		CHEDRM
CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)CCCC	ZINC000076761750	1128788235	/nfs/dbraw/zinc/78/82/35/1128788235.db2.gz	AUZBTPJNRNAVTG-LBPRGKRZSA-N	-1	0	277.430	3.679	20	30		CHEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cn1	ZINC000588480271	1118910676	/nfs/dbraw/zinc/91/06/76/1118910676.db2.gz	MDBCHLUDYFGJEB-HYXAFXHYSA-N	-1	0	290.750	3.719	20	30		CHEDRM
Cc1cc(Nc2sc3c(c2C#N)CCC3)cc(C(=O)[O-])c1	ZINC001211535097	1118934138	/nfs/dbraw/zinc/93/41/38/1118934138.db2.gz	NNQXMRYLYKSSNK-UHFFFAOYSA-N	-1	0	298.367	3.859	20	30		CHEDRM
Cc1cc(Nc2onc(C(C)(C)C)c2C#N)cc(C(=O)[O-])c1	ZINC001211537427	1118978994	/nfs/dbraw/zinc/97/89/94/1118978994.db2.gz	JCZNMDFBKZWVDB-UHFFFAOYSA-N	-1	0	299.330	3.594	20	30		CHEDRM
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C(C)C	ZINC000046929146	1119075512	/nfs/dbraw/zinc/07/55/12/1119075512.db2.gz	HSMHGRNQTAKNBV-UHFFFAOYSA-N	-1	0	297.420	3.594	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c(C)c1	ZINC000048518039	1119081566	/nfs/dbraw/zinc/08/15/66/1119081566.db2.gz	MUFJMOMNWCWEDD-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)c(F)c2F)cc(C(=O)[O-])c1	ZINC001211547016	1119097016	/nfs/dbraw/zinc/09/70/16/1119097016.db2.gz	AEHUBVYUTGKNTM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCOc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1F	ZINC000782342610	1119102098	/nfs/dbraw/zinc/10/20/98/1119102098.db2.gz	QAHKABQPKUGZOR-VQHVLOKHSA-N	-1	0	286.302	3.826	20	30		CHEDRM
Cc1cc(Nc2ccc(F)c(CC#N)c2)cc(C(=O)[O-])c1	ZINC001211549469	1119116593	/nfs/dbraw/zinc/11/65/93/1119116593.db2.gz	KDUZFHMICXFYOO-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
Cc1ccc(Nc2ccc(C#N)c(F)c2F)cc1C(=O)[O-]	ZINC001211606196	1119453569	/nfs/dbraw/zinc/45/35/69/1119453569.db2.gz	JPMMUHFIBZVSOO-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(Nc2ccc(F)c(CC#N)c2)cc1C(=O)[O-]	ZINC001211610121	1119478188	/nfs/dbraw/zinc/47/81/88/1119478188.db2.gz	GFSGTWDVDSIRPS-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3ccccc3c2)c1	ZINC000176822212	1119498693	/nfs/dbraw/zinc/49/86/93/1119498693.db2.gz	IKDXDEJYKTVDFA-UHFFFAOYSA-N	-1	0	288.306	3.669	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(C#N)cn1C(C)(C)C	ZINC001211616260	1119512042	/nfs/dbraw/zinc/51/20/42/1119512042.db2.gz	DXQLKIKFXRZDLX-UHFFFAOYSA-N	-1	0	297.358	3.865	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2C)s1	ZINC001211616550	1119512712	/nfs/dbraw/zinc/51/27/12/1119512712.db2.gz	NWNSNHWKZKSENV-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
CCCn1nc(C)c(C=CC(=O)c2sccc2[O-])c1C	ZINC000588599276	1119528932	/nfs/dbraw/zinc/52/89/32/1119528932.db2.gz	WESBLCYIKRNLRF-WAYWQWQTSA-N	-1	0	290.388	3.573	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(C(=O)[O-])cc2C)c1	ZINC001211622532	1119583095	/nfs/dbraw/zinc/58/30/95/1119583095.db2.gz	HDJIPGFBYPKOIA-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(C)cc(C#N)cc1C	ZINC001211624391	1119609897	/nfs/dbraw/zinc/60/98/97/1119609897.db2.gz	FFKJHWHHTBXSMU-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c([O-])c1	ZINC000255606127	1119616229	/nfs/dbraw/zinc/61/62/29/1119616229.db2.gz	ZQHIUNRNYYTKDS-ALCCZGGFSA-N	-1	0	269.325	3.530	20	30		CHEDRM
Oc1ccc(C=NNc2cccc3ncccc32)cc1F	ZINC000755652373	1119621594	/nfs/dbraw/zinc/62/15/94/1119621594.db2.gz	XWFMIXWKDLZNNF-UHFFFAOYSA-N	-1	0	281.290	3.526	20	30		CHEDRM
O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccccc1[O-]	ZINC000176953665	1119671152	/nfs/dbraw/zinc/67/11/52/1119671152.db2.gz	COAPLJZTOGDXHM-ZHACJKMWSA-N	-1	0	290.322	3.678	20	30		CHEDRM
C=CCOc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255740978	1119736710	/nfs/dbraw/zinc/73/67/10/1119736710.db2.gz	KOWNGKLXVIIQKF-UHFFFAOYSA-N	-1	0	298.298	3.616	20	30		CHEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)C1CCCCC1	ZINC000255838711	1119753783	/nfs/dbraw/zinc/75/37/83/1119753783.db2.gz	AAWWMJWKUYZSGY-SREVYHEPSA-N	-1	0	266.287	3.833	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1ccc2ccccc2n1	ZINC000613290522	1119898468	/nfs/dbraw/zinc/89/84/68/1119898468.db2.gz	DYAFBEUYNKQMOE-LLVKDONJSA-N	-1	0	296.713	3.971	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1	ZINC000765824093	1120108630	/nfs/dbraw/zinc/10/86/30/1120108630.db2.gz	JPWOAGPRPGIEPA-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C2=CCCCCC2)n1	ZINC000122662860	1120222022	/nfs/dbraw/zinc/22/20/22/1120222022.db2.gz	QDPXTSUDZATVHA-GFCCVEGCSA-N	-1	0	260.362	3.518	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214486513	1120282691	/nfs/dbraw/zinc/28/26/91/1120282691.db2.gz	KZSSZVMSSDNEBY-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
C[C@H]1CC(C)(C)CC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000765992722	1120547149	/nfs/dbraw/zinc/54/71/49/1120547149.db2.gz	NPYJRJSCQGIRDH-JTQLQIEISA-N	-1	0	260.337	3.609	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1	ZINC000073838495	1120642968	/nfs/dbraw/zinc/64/29/68/1120642968.db2.gz	RPEINCCBAJVGNN-GFCCVEGCSA-N	-1	0	297.420	3.655	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000198797739	1120675207	/nfs/dbraw/zinc/67/52/07/1120675207.db2.gz	DPNVUKYFHVTLJV-KTKRTIGZSA-N	-1	0	266.296	3.589	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1	ZINC000215751693	1120955853	/nfs/dbraw/zinc/95/58/53/1120955853.db2.gz	DHNQBGNLLRZGOV-VURMDHGXSA-N	-1	0	283.283	3.505	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000032531698	1121016242	/nfs/dbraw/zinc/01/62/42/1121016242.db2.gz	ZNTUNGCKZMYALL-GQCTYLIASA-N	-1	0	289.312	3.566	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1C	ZINC000221431924	1121020742	/nfs/dbraw/zinc/02/07/42/1121020742.db2.gz	IWKGABAJKHVXRU-VMPITWQZSA-N	-1	0	268.312	3.611	20	30		CHEDRM
N#Cc1cc(Nc2c(F)cc(F)cc2F)c([O-])cc1F	ZINC001175145934	1121201576	/nfs/dbraw/zinc/20/15/76/1121201576.db2.gz	BCOXRTVCAISSPQ-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)c(F)c2)c([O-])cc1F	ZINC001175206399	1121208879	/nfs/dbraw/zinc/20/88/79/1121208879.db2.gz	XAWAJUDDEWKZIO-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223305	1121230260	/nfs/dbraw/zinc/23/02/60/1121230260.db2.gz	MERSTOYPHGRLIO-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175314827	1121279821	/nfs/dbraw/zinc/27/98/21/1121279821.db2.gz	CDHUKKNCBSHEBA-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)cc1Cl	ZINC001176436809	1121621044	/nfs/dbraw/zinc/62/10/44/1121621044.db2.gz	MELGUJNXDOOAKU-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176587153	1121647838	/nfs/dbraw/zinc/64/78/38/1121647838.db2.gz	UNPUJBBRIHRBRH-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(/C=C/C(=O)[O-])cc2)s1	ZINC001176591046	1121649235	/nfs/dbraw/zinc/64/92/35/1121649235.db2.gz	DBJSAUHNNQZIEZ-QPJJXVBHSA-N	-1	0	284.340	3.770	20	30		CHEDRM
Cc1cc(C#N)c(Nc2c(F)cc(F)c([O-])c2F)s1	ZINC001176664420	1121671261	/nfs/dbraw/zinc/67/12/61/1121671261.db2.gz	YVXUXEAHHCJETN-UHFFFAOYSA-N	-1	0	284.262	3.795	20	30		CHEDRM
CC(C)(CC1CCC1)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001183932070	1122245474	/nfs/dbraw/zinc/24/54/74/1122245474.db2.gz	PVKFNWQHEIKUQJ-UHFFFAOYSA-N	-1	0	290.338	3.558	20	30		CHEDRM
C[C@@H](C#N)c1ccc(NC(=O)c2cccc([S-])c2)cc1	ZINC001186152797	1122377363	/nfs/dbraw/zinc/37/73/63/1122377363.db2.gz	OSMMFWKMVOBNDE-NSHDSACASA-N	-1	0	282.368	3.855	20	30		CHEDRM
Cc1cccc([O-])c1C(=O)Nc1c(C#N)oc2ccccc21	ZINC001188638532	1122472229	/nfs/dbraw/zinc/47/22/29/1122472229.db2.gz	MYHMSQIHRODPJR-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436652717	1122567729	/nfs/dbraw/zinc/56/77/29/1122567729.db2.gz	QAXNOTCZFRRCNA-MRXNPFEDSA-N	-1	0	275.348	3.526	20	30		CHEDRM
CCCCCCCNC(=O)Nc1ccnc(Cl)c1[O-]	ZINC001191086803	1122576521	/nfs/dbraw/zinc/57/65/21/1122576521.db2.gz	PQQBBHPIJSYMJC-UHFFFAOYSA-N	-1	0	285.775	3.533	20	30		CHEDRM
N#Cc1cc(-c2cc(Cl)c([O-])cc2F)ccc1F	ZINC001250637399	1122868573	/nfs/dbraw/zinc/86/85/73/1122868573.db2.gz	DSNIPGSENGEBOM-UHFFFAOYSA-N	-1	0	265.646	3.862	20	30		CHEDRM
Cc1c(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cccc1C(=O)[O-]	ZINC000853370621	1123437163	/nfs/dbraw/zinc/43/71/63/1123437163.db2.gz	RUFNFGOIKCRHSC-UPJWGTAASA-N	-1	0	272.348	3.527	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NOCC1CCC1	ZINC000853440867	1123440982	/nfs/dbraw/zinc/44/09/82/1123440982.db2.gz	NNLPHTCYCXQUGV-UHFFFAOYSA-N	-1	0	255.358	3.604	20	30		CHEDRM
C=CC[C@H](Oc1ccc(=O)[nH]n1)c1ccc(Cl)cc1	ZINC001227093662	1123546982	/nfs/dbraw/zinc/54/69/82/1123546982.db2.gz	PHDUHOQNNYVRJC-LBPRGKRZSA-N	-1	0	276.723	3.532	20	30		CHEDRM
O=C(/C=C/c1cc(F)cc(F)c1)c1ccc([O-])c(F)c1	ZINC000121185795	1123595917	/nfs/dbraw/zinc/59/59/17/1123595917.db2.gz	QMHPSORHHYEIJV-HNQUOIGGSA-N	-1	0	278.229	3.706	20	30		CHEDRM
C=CCC[C@@H](C)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000859811033	1123710890	/nfs/dbraw/zinc/71/08/90/1123710890.db2.gz	XSJRPSKBMGCPRK-GFCCVEGCSA-N	-1	0	261.365	3.815	20	30		CHEDRM
COc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1F	ZINC000195502926	1129146157	/nfs/dbraw/zinc/14/61/57/1129146157.db2.gz	BJUBBJLVPHZIMX-FNORWQNLSA-N	-1	0	290.265	3.575	20	30		CHEDRM
CC(N=Nc1nc2ccccc2[nH]c1=S)C1CCC1	ZINC000863128160	1123847345	/nfs/dbraw/zinc/84/73/45/1123847345.db2.gz	GVKFTGVJOHZYJH-UHFFFAOYSA-N	-1	0	272.377	3.880	20	30		CHEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C	ZINC000084692184	1129153995	/nfs/dbraw/zinc/15/39/95/1129153995.db2.gz	JNCGHEAFKYJQHS-UHFFFAOYSA-N	-1	0	297.420	3.713	20	30		CHEDRM
CC(C)[C@H](N[C@H](C)c1cccc(C#N)c1[O-])C(F)(F)F	ZINC000866348485	1124055540	/nfs/dbraw/zinc/05/55/40/1124055540.db2.gz	RZUVGPHHSKNXCO-RNCFNFMXSA-N	-1	0	286.297	3.501	20	30		CHEDRM
CCCCCCCNC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000872880996	1124732527	/nfs/dbraw/zinc/73/25/27/1124732527.db2.gz	LNOYHPLYXFBXGX-UHFFFAOYSA-N	-1	0	291.391	3.702	20	30		CHEDRM
Cc1cccc2cc(C([O-])=C(C#N)c3cccc(F)n3)oc21	ZINC001122632085	1131300026	/nfs/dbraw/zinc/30/00/26/1131300026.db2.gz	PAZZEDVZLWAWCT-GFCCVEGCSA-N	-1	0	294.285	3.765	20	30		CHEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2F)cc(C)c1C#N	ZINC001239256174	1131307769	/nfs/dbraw/zinc/30/77/69/1131307769.db2.gz	KJEUXORWKFYZLL-UHFFFAOYSA-N	-1	0	269.275	3.679	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001239365068	1131321119	/nfs/dbraw/zinc/32/11/19/1131321119.db2.gz	DDMSOUKFRGXYBJ-QGMBQPNBSA-N	-1	0	291.253	3.528	20	30		CHEDRM
N#Cc1cc2cc(-c3cc(F)c(C(=O)[O-])c(F)c3)ccc2[nH]1	ZINC001239353395	1131321583	/nfs/dbraw/zinc/32/15/83/1131321583.db2.gz	TYYTYTBTKPQXEQ-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
Cc1ccsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041546273	1125434540	/nfs/dbraw/zinc/43/45/40/1125434540.db2.gz	YJFGNTSMRXBLRL-SNVBAGLBSA-N	-1	0	282.324	3.688	20	30		CHEDRM
C=CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1	ZINC000735609018	1129352327	/nfs/dbraw/zinc/35/23/27/1129352327.db2.gz	KLJVOPHOJWYGKP-UHFFFAOYSA-N	-1	0	298.317	3.916	20	30		CHEDRM
CCc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000735978837	1129361059	/nfs/dbraw/zinc/36/10/59/1129361059.db2.gz	MSCZPYQVCRYLAT-LDADJPATSA-N	-1	0	298.342	3.524	20	30		CHEDRM
O=C([O-])c1ccccc1N=NCC1CCCCCC1	ZINC000741838141	1129455193	/nfs/dbraw/zinc/45/51/93/1129455193.db2.gz	PTCGUQFDJVMSIN-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2cc(F)ccc2s1	ZINC000744117919	1129553439	/nfs/dbraw/zinc/55/34/39/1129553439.db2.gz	FHCYRZJCAOZMHG-JOAKQRRISA-N	-1	0	286.331	3.578	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])ccc1C#N	ZINC000766492096	1129670397	/nfs/dbraw/zinc/67/03/97/1129670397.db2.gz	UZYGWXBTACVXKN-UTCJRWHESA-N	-1	0	281.286	3.608	20	30		CHEDRM
N#Cc1ccc2nccc(-c3ccc(F)cc3[O-])c2c1	ZINC001242217302	1129683216	/nfs/dbraw/zinc/68/32/16/1129683216.db2.gz	ABLLCDSZHQWZTP-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
CCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000254320834	1129687306	/nfs/dbraw/zinc/68/73/06/1129687306.db2.gz	VRSCRTFMCNUMPA-UHFFFAOYSA-N	-1	0	270.288	3.613	20	30		CHEDRM
CCON=C(CC)c1cc(Cl)cc(Cl)c1[O-]	ZINC000767461268	1129795306	/nfs/dbraw/zinc/79/53/06/1129795306.db2.gz	HHHLWQPUBXNBGS-UHFFFAOYSA-N	-1	0	262.136	3.850	20	30		CHEDRM
C[C@@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000768352563	1129854032	/nfs/dbraw/zinc/85/40/32/1129854032.db2.gz	OQIAPVPFVXIKJI-VXGBXAGGSA-N	-1	0	260.337	3.609	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCC[C@H](C)C1	ZINC000768367348	1129854409	/nfs/dbraw/zinc/85/44/09/1129854409.db2.gz	PEUCGDYWYLGDQM-NWDGAFQWSA-N	-1	0	290.363	3.617	20	30		CHEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1	ZINC000800790077	1129887945	/nfs/dbraw/zinc/88/79/45/1129887945.db2.gz	BEKDMYGOKVTGQO-VUPJLDGMSA-N	-1	0	276.317	3.542	20	30		CHEDRM
CS[C@@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000901261176	1129912773	/nfs/dbraw/zinc/91/27/73/1129912773.db2.gz	CTZCZUNWKROMLG-GFCCVEGCSA-N	-1	0	292.404	3.767	20	30		CHEDRM
CC(=NNc1ccccc1Cl)c1sccc1[O-]	ZINC000769763629	1129922725	/nfs/dbraw/zinc/92/27/25/1129922725.db2.gz	QOHQBBLSBZAQPQ-UHFFFAOYSA-N	-1	0	266.753	3.943	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c([O-])c1	ZINC000770572141	1129950978	/nfs/dbraw/zinc/95/09/78/1129950978.db2.gz	MHHUMGUMQCYJPY-DAXSKMNVSA-N	-1	0	281.286	3.608	20	30		CHEDRM
C=CCC[C@H](C)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000901945334	1129967419	/nfs/dbraw/zinc/96/74/19/1129967419.db2.gz	JLYJYXFBSVXPSV-TUKIKUTGSA-N	-1	0	259.349	3.641	20	30		CHEDRM
CCOc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000771744404	1129988442	/nfs/dbraw/zinc/98/84/42/1129988442.db2.gz	KXEXVQKTHQRFQA-SREVYHEPSA-N	-1	0	274.341	3.749	20	30		CHEDRM
N#Cc1c(F)cc(-c2ccc([S-])cc2F)cc1F	ZINC001239927682	1130154718	/nfs/dbraw/zinc/15/47/18/1130154718.db2.gz	NRYLFYUHDIODRD-UHFFFAOYSA-N	-1	0	265.259	3.931	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC23CCCC3)cc1	ZINC000788695116	1130205668	/nfs/dbraw/zinc/20/56/68/1130205668.db2.gz	VXFANHJJKFOKAE-UHFFFAOYSA-N	-1	0	258.321	3.507	20	30		CHEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])CC(C)(C)C	ZINC000748410337	1130230782	/nfs/dbraw/zinc/23/07/82/1130230782.db2.gz	JFZCJWXBVBIZMQ-LLVKDONJSA-N	-1	0	274.364	3.665	20	30		CHEDRM
COc1ccc(C)cc1/C=C1/Cc2cc(O)ccc2C1=O	ZINC000780186813	1130234186	/nfs/dbraw/zinc/23/41/86/1130234186.db2.gz	OEFCCWIKNDKWCD-ZROIWOOFSA-N	-1	0	280.323	3.532	20	30		CHEDRM
CC(C)(C)C1CCN(N=Cc2cc(F)c([O-])c(F)c2)CC1	ZINC000790179300	1130293620	/nfs/dbraw/zinc/29/36/20/1130293620.db2.gz	VPOUKRUKHUVWQX-UHFFFAOYSA-N	-1	0	296.361	3.762	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240550049	1130352555	/nfs/dbraw/zinc/35/25/55/1130352555.db2.gz	NEAIITPRIDAMOB-QPJJXVBHSA-N	-1	0	281.286	3.657	20	30		CHEDRM
C=C(C)c1cncc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240549496	1130352771	/nfs/dbraw/zinc/35/27/71/1130352771.db2.gz	LDFRPUCOPXDVAH-VOTSOKGWSA-N	-1	0	265.312	3.880	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1cc(F)ccc1[O-]	ZINC001240693533	1130421093	/nfs/dbraw/zinc/42/10/93/1130421093.db2.gz	FEUQOTXURAAEBE-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000772805949	1130467621	/nfs/dbraw/zinc/46/76/21/1130467621.db2.gz	JKMYKPQRSPUKQF-UTCJRWHESA-N	-1	0	297.310	3.813	20	30		CHEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])s2)c2ccccc12	ZINC001240844262	1130490553	/nfs/dbraw/zinc/49/05/53/1130490553.db2.gz	PYDUSSFZRNQOQT-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
Cc1cc(-c2ccc(C(=O)[O-])s2)cc(C)c1C#N	ZINC001240848628	1130492901	/nfs/dbraw/zinc/49/29/01/1130492901.db2.gz	STBSBNCYPCDGTE-UHFFFAOYSA-N	-1	0	257.314	3.602	20	30		CHEDRM
C[C@]1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCCS1	ZINC000792872083	1130502649	/nfs/dbraw/zinc/50/26/49/1130502649.db2.gz	LGPADUVKBABDQI-CYBMUJFWSA-N	-1	0	298.795	3.722	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cccc2ccccc12	ZINC000793002880	1130512232	/nfs/dbraw/zinc/51/22/32/1130512232.db2.gz	QUBRHWVPAZERQB-UHFFFAOYSA-N	-1	0	290.322	3.984	20	30		CHEDRM
CC[C@@H](C)CON=Cc1cccc(Br)c1[O-]	ZINC000793144643	1130525542	/nfs/dbraw/zinc/52/55/42/1130525542.db2.gz	FFOFJUXEETVMLY-SECBINFHSA-N	-1	0	286.169	3.551	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240976380	1130546442	/nfs/dbraw/zinc/54/64/42/1130546442.db2.gz	ZHTXBVPCDJUYGE-LBPRGKRZSA-N	-1	0	265.312	3.608	20	30		CHEDRM
N#CC1(c2ccccc2-c2ccc(CC(=O)[O-])cc2)CCC1	ZINC001240976795	1130546788	/nfs/dbraw/zinc/54/67/88/1130546788.db2.gz	YBBVKIZHRPRRCJ-UHFFFAOYSA-N	-1	0	291.350	3.926	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2cc(F)c(F)c(F)c2)c1	ZINC001240983141	1130550663	/nfs/dbraw/zinc/55/06/63/1130550663.db2.gz	RQVHZMIUHUDNPH-NGYBGAFCSA-N	-1	0	269.197	3.718	20	30		CHEDRM
C=C(C)c1ccc(-c2cc(C(=O)[O-])ccc2C)nc1	ZINC001241000152	1130558721	/nfs/dbraw/zinc/55/87/21/1130558721.db2.gz	GBTTZTKVMMKKCX-UHFFFAOYSA-N	-1	0	253.301	3.788	20	30		CHEDRM
CC(C)c1ncc(/C=C\C(=O)c2ccccc2[O-])s1	ZINC000758434710	1130611982	/nfs/dbraw/zinc/61/19/82/1130611982.db2.gz	TVYHPBLXIGKBKK-FPLPWBNLSA-N	-1	0	273.357	3.868	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1coc2ccccc12	ZINC000747737091	1130635307	/nfs/dbraw/zinc/63/53/07/1130635307.db2.gz	UZICFMFOPMEFOB-UHFFFAOYSA-N	-1	0	294.310	3.967	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc(Cl)cs2)n1	ZINC000759422200	1130653818	/nfs/dbraw/zinc/65/38/18/1130653818.db2.gz	TZXVSIWIICIIOR-QMMMGPOBSA-N	-1	0	282.777	3.657	20	30		CHEDRM
COc1ccc(F)cc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000812241249	1130678789	/nfs/dbraw/zinc/67/87/89/1130678789.db2.gz	FTZFYAKEDKSYAP-HWKANZROSA-N	-1	0	290.265	3.575	20	30		CHEDRM
C=CC[C@H](Oc1cc([O-])cc2oc(C)cc(=O)c12)C(C)C	ZINC001234819676	1130678973	/nfs/dbraw/zinc/67/89/73/1130678973.db2.gz	MZYGDHRRYBHQRX-AWEZNQCLSA-N	-1	0	288.343	3.787	20	30		CHEDRM
C=CCC[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccccc1	ZINC000812399835	1130686896	/nfs/dbraw/zinc/68/68/96/1130686896.db2.gz	VWTFPOWQUWINKK-SMJHDNPOSA-N	-1	0	279.767	3.537	20	30		CHEDRM
C#CCCCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000780642093	1130687058	/nfs/dbraw/zinc/68/70/58/1130687058.db2.gz	SEJKYGDFOBDYJN-UHFFFAOYSA-N	-1	0	288.372	3.639	20	30		CHEDRM
C=C(C)c1cncc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235457987	1130746219	/nfs/dbraw/zinc/74/62/19/1130746219.db2.gz	GCDWUPDJEQKHQD-VMPITWQZSA-N	-1	0	265.312	3.880	20	30		CHEDRM
O=C([O-])/C=C/c1ccc(-c2ccc(CS)cc2)cc1	ZINC001235622960	1130759024	/nfs/dbraw/zinc/75/90/24/1130759024.db2.gz	NZEXNLXGWNWPJY-BJMVGYQFSA-N	-1	0	270.353	3.881	20	30		CHEDRM
O=C(/C=C/c1scnc1C1CC1)c1cc(F)ccc1[O-]	ZINC000782349402	1130774439	/nfs/dbraw/zinc/77/44/39/1130774439.db2.gz	XZDARIYJOHEPMS-AATRIKPKSA-N	-1	0	289.331	3.761	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1c(F)cc(F)c([O-])c1F	ZINC001235998034	1130826523	/nfs/dbraw/zinc/82/65/23/1130826523.db2.gz	KFVIYZRTHUFTBH-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1cccc(F)c1	ZINC000783511981	1130832446	/nfs/dbraw/zinc/83/24/46/1130832446.db2.gz	YAFGKHSSGUNDEO-UHFFFAOYSA-N	-1	0	286.306	3.750	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CC[C@@H]1CCOC1	ZINC000783684433	1130847127	/nfs/dbraw/zinc/84/71/27/1130847127.db2.gz	GGHNQUNGFHFKMX-UHDDOIDHSA-N	-1	0	288.174	3.545	20	30		CHEDRM
Cc1ccnc(C#N)c1-c1ccc(C(=O)[O-])c(C)c1Cl	ZINC001236129352	1130871313	/nfs/dbraw/zinc/87/13/13/1130871313.db2.gz	QDFVJFYWJGACIC-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
C=CCCC(CCC)N=Nc1ccc(C(=O)[O-])cc1	ZINC000814681040	1130894357	/nfs/dbraw/zinc/89/43/57/1130894357.db2.gz	UCQPFQLKUUKUJQ-UHFFFAOYSA-N	-1	0	260.337	3.919	20	30		CHEDRM
CC(C)(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)CS1	ZINC000814680901	1130894498	/nfs/dbraw/zinc/89/44/98/1130894498.db2.gz	NJKJRZJKGYBENT-ZDUSSCGKSA-N	-1	0	292.404	3.704	20	30		CHEDRM
Cc1ccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)cc1	ZINC000814685132	1130895464	/nfs/dbraw/zinc/89/54/64/1130895464.db2.gz	CNPXCSWQBOVHPA-HIFRSBDPSA-N	-1	0	288.391	3.920	20	30		CHEDRM
CC(=NNc1ccc(Cl)cc1)c1csc(C(=O)[O-])c1	ZINC000814683803	1130896006	/nfs/dbraw/zinc/89/60/06/1130896006.db2.gz	QPQYSWRIRKGKSL-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc2ccccc2n1	ZINC000814697471	1130896377	/nfs/dbraw/zinc/89/63/77/1130896377.db2.gz	PTVQEYBXZMUHQO-AAEUAGOBSA-N	-1	0	297.358	3.524	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CC[C@@H]2C2CC2)ccc1Cl	ZINC000814688549	1130899524	/nfs/dbraw/zinc/89/95/24/1130899524.db2.gz	BXKOGVLHDRRTIZ-SNVBAGLBSA-N	-1	0	278.739	3.626	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CC[C@H]2C2CC2)ccc1Cl	ZINC000814688548	1130899544	/nfs/dbraw/zinc/89/95/44/1130899544.db2.gz	BXKOGVLHDRRTIZ-JTQLQIEISA-N	-1	0	278.739	3.626	20	30		CHEDRM
CC(=NNc1cccc(C)c1)c1csc(C(=O)[O-])c1	ZINC000814687848	1130899566	/nfs/dbraw/zinc/89/95/66/1130899566.db2.gz	WCPWQNSKFCZWIA-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
CC(C)[C@H]1CCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814689862	1130900630	/nfs/dbraw/zinc/90/06/30/1130900630.db2.gz	JDYYNSSMZFCSAU-SNVBAGLBSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC(C)(C#N)[C@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000814768862	1130910308	/nfs/dbraw/zinc/91/03/08/1130910308.db2.gz	NZTNROQAXFJYAB-LBPRGKRZSA-N	-1	0	285.347	3.503	20	30		CHEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc2ncccc12	ZINC000814804309	1130919024	/nfs/dbraw/zinc/91/90/24/1130919024.db2.gz	JIHDUJWGEZDZPY-RYUDHWBXSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)[O-])C[C@H]1C	ZINC000814858850	1130924713	/nfs/dbraw/zinc/92/47/13/1130924713.db2.gz	IBXZAXAHUNHBPA-RDBSUJKOSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@@H]1CC(N=Nc2c(F)cccc2Cl)CC[C@H]1C(=O)[O-]	ZINC000814904866	1130933725	/nfs/dbraw/zinc/93/37/25/1130933725.db2.gz	CBAFLEFCNFUMGE-PSASIEDQSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1c(F)cccc1Cl	ZINC000814904998	1130934011	/nfs/dbraw/zinc/93/40/11/1130934011.db2.gz	JTGYXIXAHCAWQM-UHFFFAOYSA-N	-1	0	298.745	3.912	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H](C)C(C)(C)C	ZINC000814938458	1130940544	/nfs/dbraw/zinc/94/05/44/1130940544.db2.gz	LRLUWKPWXYSUKO-ZDUSSCGKSA-N	-1	0	270.417	3.812	20	30		CHEDRM
C[C@H]1CC(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)[O-]	ZINC000814914027	1130942175	/nfs/dbraw/zinc/94/21/75/1130942175.db2.gz	ZHGHFYOIWINFFX-SWLSCSKDSA-N	-1	0	294.439	3.621	20	30		CHEDRM
N#CCC1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000797399028	1130983850	/nfs/dbraw/zinc/98/38/50/1130983850.db2.gz	SPRITHVYXIYDLJ-REZTVBANSA-N	-1	0	283.158	3.812	20	30		CHEDRM
C=C(C)c1cncc(-c2cc([O-])c(F)c(F)c2F)c1	ZINC001245637088	1131095408	/nfs/dbraw/zinc/09/54/08/1131095408.db2.gz	KLQFDEZGENEICA-UHFFFAOYSA-N	-1	0	265.234	3.905	20	30		CHEDRM
CCCCCCCS(=O)(=O)[N-]c1cc(C(C)C)on1	ZINC000799640548	1131097664	/nfs/dbraw/zinc/09/76/64/1131097664.db2.gz	VSRVRTAGUYGDNE-UHFFFAOYSA-N	-1	0	288.413	3.510	20	30		CHEDRM
CC[C@@H](C)CCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001137933148	1131438164	/nfs/dbraw/zinc/43/81/64/1131438164.db2.gz	WCTABFAQKKIQOG-GFCCVEGCSA-N	-1	0	274.364	3.809	20	30		CHEDRM
CCc1cccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001202886234	1131570953	/nfs/dbraw/zinc/57/09/53/1131570953.db2.gz	SNAQHUADHOVQJU-UHFFFAOYSA-N	-1	0	299.305	3.609	20	30		CHEDRM
Cc1c(N=NC2CCCC23CCC3)cccc1C(=O)[O-]	ZINC000844623314	1131586145	/nfs/dbraw/zinc/58/61/45/1131586145.db2.gz	LPXBPWIWHWVVFH-UHFFFAOYSA-N	-1	0	272.348	3.815	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC001144589741	1131663503	/nfs/dbraw/zinc/66/35/03/1131663503.db2.gz	SITIZAHLBJKMMG-ZIAGYGMSSA-N	-1	0	291.391	3.508	20	30		CHEDRM
C=C[C@@H](CCCCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227716021	1131729215	/nfs/dbraw/zinc/72/92/15/1131729215.db2.gz	JANCTJKKSCXJBQ-NEPJUHHUSA-N	-1	0	292.379	3.677	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCCC23CCC3)c1	ZINC000834916345	1131733179	/nfs/dbraw/zinc/73/31/79/1131733179.db2.gz	ZWNVFUIAABEXRT-UHFFFAOYSA-N	-1	0	258.321	3.507	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCC3)c(F)c1	ZINC000835009454	1131753908	/nfs/dbraw/zinc/75/39/08/1131753908.db2.gz	WJLNFVSQFROGQO-UHFFFAOYSA-N	-1	0	276.311	3.646	20	30		CHEDRM
C[C@@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009941	1131754025	/nfs/dbraw/zinc/75/40/25/1131754025.db2.gz	IVSHUSCIRFIULA-MNOVXSKESA-N	-1	0	278.327	3.748	20	30		CHEDRM
CC(CCC1CC1)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008159	1131754123	/nfs/dbraw/zinc/75/41/23/1131754123.db2.gz	BYTKYBPZFQXXHQ-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C2=CCC(C)(C)CC2)n1	ZINC000835038080	1131762884	/nfs/dbraw/zinc/76/28/84/1131762884.db2.gz	UGPVEICYOIHTPU-GFCCVEGCSA-N	-1	0	274.389	3.764	20	30		CHEDRM
C[C@H](C#N)c1cccc(C(=O)Nc2ccccc2[S-])c1	ZINC001148617525	1131866461	/nfs/dbraw/zinc/86/64/61/1131866461.db2.gz	GURMBHAISUSCFX-LLVKDONJSA-N	-1	0	282.368	3.855	20	30		CHEDRM
C=CCOc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000773151165	1131963958	/nfs/dbraw/zinc/96/39/58/1131963958.db2.gz	UZEYRLIJJDPTTM-SREVYHEPSA-N	-1	0	286.352	3.915	20	30		CHEDRM
Cc1ccc(Cl)cc1[C@@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228900689	1131975356	/nfs/dbraw/zinc/97/53/56/1131975356.db2.gz	GYIPUGPFIZAIBF-SNVBAGLBSA-N	-1	0	288.734	3.761	20	30		CHEDRM
CCC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccc(OC)cc1	ZINC001228902584	1131975753	/nfs/dbraw/zinc/97/57/53/1131975753.db2.gz	RYLUOVKGSOAAIO-OAHLLOKOSA-N	-1	0	298.342	3.588	20	30		CHEDRM
CC1=CCC[C@H](C)[C@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000773191542	1131982411	/nfs/dbraw/zinc/98/24/11/1131982411.db2.gz	UFQGXBBURLQMBC-JSGCOSHPSA-N	-1	0	272.348	3.775	20	30		CHEDRM
C=C[C@@H](CCCCCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973206	1131989567	/nfs/dbraw/zinc/98/95/67/1131989567.db2.gz	HYKSGDHLRFVPPS-LBPRGKRZSA-N	-1	0	295.335	3.910	20	30		CHEDRM
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc([S-])cc1C	ZINC001229635545	1132099320	/nfs/dbraw/zinc/09/93/20/1132099320.db2.gz	ZHYIIUQSYFUWOI-LBPRGKRZSA-N	-1	0	294.416	3.949	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@@H](C)c1ccncc1F	ZINC001229738961	1132112752	/nfs/dbraw/zinc/11/27/52/1132112752.db2.gz	QMRBQTVULZHGOS-HPAYWCODSA-N	-1	0	274.295	3.559	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@H](C#N)c1cccc(F)c1	ZINC001229739591	1132113691	/nfs/dbraw/zinc/11/36/91/1132113691.db2.gz	ZGONRKXBXFGOOH-YDDPGSGASA-N	-1	0	284.290	3.668	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc[n-]c(=O)c2Cl)C1	ZINC001230013696	1132144549	/nfs/dbraw/zinc/14/45/49/1132144549.db2.gz	HZVCHRNBDYGUAZ-WDEREUQCSA-N	-1	0	280.755	3.515	20	30		CHEDRM
C=CC[C@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230018132	1132145709	/nfs/dbraw/zinc/14/57/09/1132145709.db2.gz	NUZPQFOQJYRJAS-NSHDSACASA-N	-1	0	276.723	3.532	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccc(Cl)s2)cc1	ZINC000839381653	1132204575	/nfs/dbraw/zinc/20/45/75/1132204575.db2.gz	LAOJCKNXSPNDSX-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCCCC2(F)F)c1	ZINC000840707158	1132273657	/nfs/dbraw/zinc/27/36/57/1132273657.db2.gz	OAKIXZCALCDSIZ-XZDJTBRNSA-N	-1	0	298.289	3.545	20	30		CHEDRM
C=CC[C@@H](C)Oc1ccccc1C(=O)c1ccc(O)cc1	ZINC001231228130	1132274349	/nfs/dbraw/zinc/27/43/49/1132274349.db2.gz	CPYFPGVPOAYDSD-CYBMUJFWSA-N	-1	0	282.339	3.967	20	30		CHEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])C1CCCCC1	ZINC001152999911	1132589296	/nfs/dbraw/zinc/58/92/96/1132589296.db2.gz	JQJRZRCQGIYSIS-LBPRGKRZSA-N	-1	0	286.375	3.809	20	30		CHEDRM
N#Cc1cc(Nc2ccnc(Cl)c2[O-])ccc1Cl	ZINC001174402757	1132816618	/nfs/dbraw/zinc/81/66/18/1132816618.db2.gz	RWRJYHRPZTYWBY-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1cc(Nc2ccc3occc3c2)c([O-])cc1F	ZINC001174418653	1132834238	/nfs/dbraw/zinc/83/42/38/1132834238.db2.gz	LWCCJXSKRAMBIG-UHFFFAOYSA-N	-1	0	268.247	3.893	20	30		CHEDRM
Cn1ccc2ccc(Nc3cc(C#N)c(F)cc3[O-])cc21	ZINC001174517691	1132910693	/nfs/dbraw/zinc/91/06/93/1132910693.db2.gz	SAHVTANYYHFXDD-UHFFFAOYSA-N	-1	0	281.290	3.638	20	30		CHEDRM
C=CCCC1(CNC(=O)c2ccc(F)cc2[O-])CCCC1	ZINC001161640339	1133012782	/nfs/dbraw/zinc/01/27/82/1133012782.db2.gz	CGPBKJXGFCIIMB-UHFFFAOYSA-N	-1	0	291.366	3.788	20	30		CHEDRM
Cc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c(C)c1	ZINC001204645028	1133470662	/nfs/dbraw/zinc/47/06/62/1133470662.db2.gz	XLAGAHSCCKDCBO-UHFFFAOYSA-N	-1	0	293.346	3.556	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2ccsc2C(=O)[O-])n1	ZINC001205378561	1133572414	/nfs/dbraw/zinc/57/24/14/1133572414.db2.gz	RNZJKLWIHTZDIV-UHFFFAOYSA-N	-1	0	272.329	3.503	20	30		CHEDRM
N#CCc1cc2ccccc2nc1-c1ccsc1C(=O)[O-]	ZINC001205547738	1133587434	/nfs/dbraw/zinc/58/74/34/1133587434.db2.gz	QQSFTIAOZDVHCH-UHFFFAOYSA-N	-1	0	294.335	3.728	20	30		CHEDRM
N#CCCc1cccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206031639	1133645490	/nfs/dbraw/zinc/64/54/90/1133645490.db2.gz	QSUKCGAZXMKSML-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2cc(F)c(F)c(C(=O)[O-])c2)[nH]1	ZINC001206038725	1133645969	/nfs/dbraw/zinc/64/59/69/1133645969.db2.gz	OCZWAAMLBFVJBE-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
Cc1cccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1C#N	ZINC001206038524	1133646313	/nfs/dbraw/zinc/64/63/13/1133646313.db2.gz	DAAIOCYZELNWGT-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
O=C([O-])c1cc(-c2ccccc2CS)cc(F)c1F	ZINC001206051817	1133649582	/nfs/dbraw/zinc/64/95/82/1133649582.db2.gz	VGHYJCUAFZVFHU-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
N#Cc1cncc(Nc2c([S-])cccc2Cl)c1	ZINC001210089860	1134143768	/nfs/dbraw/zinc/14/37/68/1134143768.db2.gz	YGUGCWNBPCKXIY-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2cccc(CC(=O)[O-])c2)cc1	ZINC001210071653	1134140882	/nfs/dbraw/zinc/14/08/82/1134140882.db2.gz	MAVJHDWYKITUJR-LBPRGKRZSA-N	-1	0	280.327	3.684	20	30		CHEDRM
Cc1c(F)cc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001210108472	1134149909	/nfs/dbraw/zinc/14/99/09/1134149909.db2.gz	BGCJJQHCBYWOAH-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
C[C@H]1CC(=O)C=C(Nc2cc(Cl)ccc2[S-])C1	ZINC001210770371	1134292577	/nfs/dbraw/zinc/29/25/77/1134292577.db2.gz	LRTHMHMUODSDIC-MRVPVSSYSA-N	-1	0	267.781	3.924	20	30		CHEDRM
C[C@H]1CC(=O)C=C(Nc2c([S-])cccc2Cl)C1	ZINC001210776848	1134294277	/nfs/dbraw/zinc/29/42/77/1134294277.db2.gz	IHRPFSHTXJYNJF-MRVPVSSYSA-N	-1	0	267.781	3.924	20	30		CHEDRM
N#Cc1cc2cccnc2nc1Nc1cccc([O-])c1Cl	ZINC001210844225	1134310969	/nfs/dbraw/zinc/31/09/69/1134310969.db2.gz	AKYUGXQVPLBVPH-UHFFFAOYSA-N	-1	0	296.717	3.604	20	30		CHEDRM
N#Cc1cc2cccnc2nc1Nc1cccc([S-])c1	ZINC001210945559	1134335893	/nfs/dbraw/zinc/33/58/93/1134335893.db2.gz	OTSYCOXQJBNXOC-UHFFFAOYSA-N	-1	0	278.340	3.534	20	30		CHEDRM
CCOc1ccc(F)c(Nc2scc([O-])c2C#N)c1	ZINC001211053551	1134358422	/nfs/dbraw/zinc/35/84/22/1134358422.db2.gz	YDXGGVLWMCLTKJ-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)nc1Cl	ZINC001211273543	1134401076	/nfs/dbraw/zinc/40/10/76/1134401076.db2.gz	BATNJDFHRYLVDP-UHFFFAOYSA-N	-1	0	286.143	3.771	20	30		CHEDRM
Cc1oc(Nc2ccc(CCC(=O)[O-])cc2)c(C#N)c1C	ZINC001213623489	1134469920	/nfs/dbraw/zinc/46/99/20/1134469920.db2.gz	OHVQKUBMIYENQR-UHFFFAOYSA-N	-1	0	284.315	3.529	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213629494	1134471060	/nfs/dbraw/zinc/47/10/60/1134471060.db2.gz	BWMVFXGAJKCFQP-UHFFFAOYSA-N	-1	0	294.354	3.881	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C)c(C#N)c1	ZINC001214275697	1134526893	/nfs/dbraw/zinc/52/68/93/1134526893.db2.gz	YSVUABSGWAYLOM-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cc(C)ccc1C#N	ZINC001214273883	1134526982	/nfs/dbraw/zinc/52/69/82/1134526982.db2.gz	WNCVYQAYDCNBPM-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(F)c1	ZINC001214489154	1134543251	/nfs/dbraw/zinc/54/32/51/1134543251.db2.gz	VEWMPDVDUBVRCO-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1ccc(Cl)c([O-])c1F	ZINC001214799102	1134575103	/nfs/dbraw/zinc/57/51/03/1134575103.db2.gz	MBEOXDZQJQJRJD-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
N#Cc1cccc(O)c1Nc1ccc(Cl)c([O-])c1F	ZINC001214804161	1134575714	/nfs/dbraw/zinc/57/57/14/1134575714.db2.gz	OIUWRGHNERBTKR-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
Cc1noc([N-]c2c(F)ccc(OC(C)C)c2F)c1C#N	ZINC001215170022	1134604103	/nfs/dbraw/zinc/60/41/03/1134604103.db2.gz	FFSSTFAEIQQUDQ-UHFFFAOYSA-N	-1	0	293.273	3.664	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215276490	1134613756	/nfs/dbraw/zinc/61/37/56/1134613756.db2.gz	LGXBRUZTVAYCEB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cccc(-c2noc(-c3cccc(Cl)c3[O-])n2)c1	ZINC001215343210	1134619347	/nfs/dbraw/zinc/61/93/47/1134619347.db2.gz	OTNFYJGAZMJWMS-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001215471630	1134630496	/nfs/dbraw/zinc/63/04/96/1134630496.db2.gz	VDMSLGVFLCYYDP-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cc1C#N	ZINC001216311062	1134845902	/nfs/dbraw/zinc/84/59/02/1134845902.db2.gz	BVAISXNPAOPQDQ-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1cc(Nc2cc(F)cc(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001216311510	1134846751	/nfs/dbraw/zinc/84/67/51/1134846751.db2.gz	LTBOMPVGTZDBFT-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2C)s1	ZINC001216657329	1134940136	/nfs/dbraw/zinc/94/01/36/1134940136.db2.gz	VZQPHECFKWHEDI-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1ccc(Nc2cccc(C(=O)[O-])c2C)c(C#N)c1	ZINC001216660303	1134940610	/nfs/dbraw/zinc/94/06/10/1134940610.db2.gz	JCXVJGNIGUNIAA-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
C=CCn1cc(-c2ccc3sc(=S)[n-]c3c2)cn1	ZINC001222396425	1135236180	/nfs/dbraw/zinc/23/61/80/1135236180.db2.gz	YNIOKSDKYQMJQK-UHFFFAOYSA-N	-1	0	273.386	3.635	20	30		CHEDRM
N#CCc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1	ZINC001222679077	1135263427	/nfs/dbraw/zinc/26/34/27/1135263427.db2.gz	UUUYJPBKKAGFDM-UHFFFAOYSA-N	-1	0	277.323	3.536	20	30		CHEDRM
CC[C@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)(C)C	ZINC001223893032	1135394229	/nfs/dbraw/zinc/39/42/29/1135394229.db2.gz	PHSYDJVHMGAIJE-MBUFOBGISA-N	-1	0	295.379	3.681	20	30		CHEDRM
COc1ccc(OC)c(/C(=N/[O-])OC(C(C)C)C(C)C)c1	ZINC001223893148	1135395887	/nfs/dbraw/zinc/39/58/87/1135395887.db2.gz	QUFWJLWAFIPUEQ-MSUUIHNZSA-N	-1	0	295.379	3.537	20	30		CHEDRM
CCCCCCCC[C@@H](CC)OCC[P@@](=O)([O-])O	ZINC001224603529	1135461556	/nfs/dbraw/zinc/46/15/56/1135461556.db2.gz	ZOKFHUMJWTXDQH-CYBMUJFWSA-N	-1	0	280.345	3.710	20	30		CHEDRM
C=C(C)C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])C(=C)C	ZINC001225493878	1135576344	/nfs/dbraw/zinc/57/63/44/1135576344.db2.gz	HFUKBNARKPWLSL-CYBMUJFWSA-N	-1	0	263.293	3.590	20	30		CHEDRM
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccccc1[S-]	ZINC001225584417	1135590967	/nfs/dbraw/zinc/59/09/67/1135590967.db2.gz	PWMXJOJTJCVUNX-NSHDSACASA-N	-1	0	280.389	3.641	20	30		CHEDRM
N#C[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)c1ccccc1	ZINC001225878677	1135633350	/nfs/dbraw/zinc/63/33/50/1135633350.db2.gz	FMJBGWVMIMKIEP-QMMMGPOBSA-N	-1	0	297.207	3.592	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009560	1135651692	/nfs/dbraw/zinc/65/16/92/1135651692.db2.gz	YELAWFSKSNEANB-SCDSUCTJSA-N	-1	0	290.338	3.558	20	30		CHEDRM
C=CC[C@H](Oc1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001226159607	1135669096	/nfs/dbraw/zinc/66/90/96/1135669096.db2.gz	RUBHSZHBQNCYMR-ZDUSSCGKSA-N	-1	0	290.750	3.840	20	30		CHEDRM
Cc1sc(/C=C/c2ccc(C#N)c(C)c2)nc1C(=O)[O-]	ZINC000352034372	228176634	/nfs/dbraw/zinc/17/66/34/228176634.db2.gz	AGTOVOQKNCQQSV-GQCTYLIASA-N	-1	0	284.340	3.500	20	30		CHEDRM
Cc1sc(/C=C\c2ccc(C#N)c(C)c2)nc1C(=O)[O-]	ZINC000352034373	228176652	/nfs/dbraw/zinc/17/66/52/228176652.db2.gz	AGTOVOQKNCQQSV-XQRVVYSFSA-N	-1	0	284.340	3.500	20	30		CHEDRM
CCc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178257305	261383402	/nfs/dbraw/zinc/38/34/02/261383402.db2.gz	HQUZOHWNLKEOQE-AWEZNQCLSA-N	-1	0	290.322	3.880	20	30		CHEDRM
C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1	ZINC000280897897	263064923	/nfs/dbraw/zinc/06/49/23/263064923.db2.gz	CFFQYRIFSUBJKO-SHYRNMSTSA-N	-1	0	288.174	3.543	20	30		CHEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1	ZINC000357112943	266250662	/nfs/dbraw/zinc/25/06/62/266250662.db2.gz	SGOYKYFATGHWRH-SECBINFHSA-N	-1	0	299.380	3.551	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(Cl)s1	ZINC000357568069	266326201	/nfs/dbraw/zinc/32/62/01/266326201.db2.gz	OSNMRTSKBDDMFH-GORDUTHDSA-N	-1	0	290.731	3.537	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(Cl)s1	ZINC000357568065	266326934	/nfs/dbraw/zinc/32/69/34/266326934.db2.gz	OSNMRTSKBDDMFH-DJWKRKHSSA-N	-1	0	290.731	3.537	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)oc1C	ZINC000531756826	328031891	/nfs/dbraw/zinc/03/18/91/328031891.db2.gz	ACPWFZTVKOJBOO-NSHDSACASA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)oc1C	ZINC000562317926	327468565	/nfs/dbraw/zinc/46/85/65/327468565.db2.gz	KFPFYWQXQHNKIW-HNNXBMFYSA-N	-1	0	290.322	3.935	20	30		CHEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2)cc1C1(C#N)CC1	ZINC000582847110	329279420	/nfs/dbraw/zinc/27/94/20/329279420.db2.gz	AGJURFKTEDJPOC-UHFFFAOYSA-N	-1	0	293.322	3.616	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000237964363	329695205	/nfs/dbraw/zinc/69/52/05/329695205.db2.gz	RZAAGOIFTXAKBR-UHFFFAOYSA-N	-1	0	293.750	3.745	20	30		CHEDRM
C=CC[C@@H](C)[C@@H](C)Nc1cccc(CCC(=O)[O-])c1	ZINC000263514867	330058600	/nfs/dbraw/zinc/05/86/00/330058600.db2.gz	OJDPAJMJWMPBIG-CHWSQXEVSA-N	-1	0	261.365	3.716	20	30		CHEDRM
N#Cc1cccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)c1	ZINC000439283458	330736387	/nfs/dbraw/zinc/73/63/87/330736387.db2.gz	ZBZZDSXDUNMERZ-BQYQJAHWSA-N	-1	0	290.278	3.568	20	30		CHEDRM
C=CCOc1ccccc1CNc1cc(C(=O)[O-])ccc1C	ZINC000315661844	333382864	/nfs/dbraw/zinc/38/28/64/333382864.db2.gz	OTISGYUUHGMAEC-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])s1	ZINC000564350679	334156346	/nfs/dbraw/zinc/15/63/46/334156346.db2.gz	NYGTUCVNIHUCDH-RHSMWYFYSA-N	-1	0	295.363	3.575	20	30		CHEDRM
C=CCOc1cccc(CNc2cccc(C(=O)[O-])c2C)c1	ZINC000551059302	334237492	/nfs/dbraw/zinc/23/74/92/334237492.db2.gz	KQAUVXAPHSYTLM-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
CC[C@@H](Cc1ccccc1-c1ccc(C#N)s1)C(=O)[O-]	ZINC000579973007	335941278	/nfs/dbraw/zinc/94/12/78/335941278.db2.gz	RYFASFGLIKAXAQ-NSHDSACASA-N	-1	0	285.368	3.940	20	30		CHEDRM
CCCCCCCCC(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000163421668	600254193	/nfs/dbraw/zinc/25/41/93/600254193.db2.gz	VBVAAOBYHKPTNS-UHFFFAOYSA-N	-1	0	280.368	3.710	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736983099	600296030	/nfs/dbraw/zinc/29/60/30/600296030.db2.gz	GXEDTXLTORKLGV-UHFFFAOYSA-N	-1	0	292.379	3.753	20	30		CHEDRM
C=CCCCNc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000736102583	600710836	/nfs/dbraw/zinc/71/08/36/600710836.db2.gz	QTGOTLDVUHYGSR-UHFFFAOYSA-N	-1	0	263.337	3.550	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1OCc1ccc(F)cc1C(=O)[O-]	ZINC000738313029	601096304	/nfs/dbraw/zinc/09/63/04/601096304.db2.gz	DLETWKFDEYEPAT-UHFFFAOYSA-N	-1	0	299.301	3.591	20	30		CHEDRM
CC(C)c1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000827134312	601297310	/nfs/dbraw/zinc/29/73/10/601297310.db2.gz	QNUVOYXJTYXTKJ-QGZVFWFLSA-N	-1	0	294.354	3.919	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000827112708	601330323	/nfs/dbraw/zinc/33/03/23/601330323.db2.gz	MJRUORNQLOSTDF-CSKARUKUSA-N	-1	0	283.327	3.732	20	30		CHEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cccc3ccccc32)c[nH]1	ZINC000833298521	601791881	/nfs/dbraw/zinc/79/18/81/601791881.db2.gz	YGSXPYPJSOTRME-CMDGGOBGSA-N	-1	0	291.306	3.762	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC000832876267	601792251	/nfs/dbraw/zinc/79/22/51/601792251.db2.gz	WRRMILHOMJPYBO-SNAWJCMRSA-N	-1	0	283.327	3.534	20	30		CHEDRM
N#Cc1ccccc1CSCc1ccc(C(=O)[O-])s1	ZINC000833075084	601846641	/nfs/dbraw/zinc/84/66/41/601846641.db2.gz	LFBXLYNVUZATGB-UHFFFAOYSA-N	-1	0	289.381	3.751	20	30		CHEDRM
N#Cc1ccccc1SCc1ccc(C(=O)[O-])s1	ZINC000833077072	601895868	/nfs/dbraw/zinc/89/58/68/601895868.db2.gz	XPBXSUJGPPTMGA-UHFFFAOYSA-N	-1	0	275.354	3.610	20	30		CHEDRM
C=CCCC(N=Nc1ccc(C(=O)[O-])cc1OC)C1CC1	ZINC000756905722	604630823	/nfs/dbraw/zinc/63/08/23/604630823.db2.gz	GVINQNLESFUEEZ-UHFFFAOYSA-N	-1	0	288.347	3.538	20	30		CHEDRM
CC(=NNCc1cccc(F)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814805340	604637622	/nfs/dbraw/zinc/63/76/22/604637622.db2.gz	WBVYJSBMOATWDN-LBPRGKRZSA-N	-1	0	294.370	3.572	20	30		CHEDRM
C[C@@H]1C/C(=C\c2ccoc2C(=O)[O-])C(=O)c2ccccc21	ZINC000833587360	605052429	/nfs/dbraw/zinc/05/24/29/605052429.db2.gz	KMCITDYVKAUEKJ-QSARLWQPSA-N	-1	0	282.295	3.751	20	30		CHEDRM
CN(Cc1cccc(NCC(C)(C)CCC#N)c1)C(=O)[O-]	ZINC000828375790	605245736	/nfs/dbraw/zinc/24/57/36/605245736.db2.gz	TWGPBFWOFXODFF-UHFFFAOYSA-N	-1	0	289.379	3.538	20	30		CHEDRM
CCc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C	ZINC000833671538	605290174	/nfs/dbraw/zinc/29/01/74/605290174.db2.gz	KNZWQHGWHGLLEC-KRWDZBQOSA-N	-1	0	294.354	3.667	20	30		CHEDRM
CCc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C	ZINC000833671815	605290247	/nfs/dbraw/zinc/29/02/47/605290247.db2.gz	PXKUHSNOLCYWFB-KRWDZBQOSA-N	-1	0	294.354	3.667	20	30		CHEDRM
CC(C)CC(=NNc1cccc(C(=O)[O-])c1)c1ccccn1	ZINC000760217591	605593561	/nfs/dbraw/zinc/59/35/61/605593561.db2.gz	XHDGACPNZUIUMD-UHFFFAOYSA-N	-1	0	297.358	3.642	20	30		CHEDRM
C=CCC1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCCC1	ZINC001602718305	971374557	/nfs/dbraw/zinc/37/45/57/971374557.db2.gz	JNMCFIBKYPSUHT-UHFFFAOYSA-N	-1	0	288.343	3.565	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000112787315	949230051	/nfs/dbraw/zinc/23/00/51/949230051.db2.gz	ZYDALLQKIUKUPC-INIZCTEOSA-N	-1	0	283.412	3.593	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000851592852	955783293	/nfs/dbraw/zinc/78/32/93/955783293.db2.gz	GPLJWIWWLILNKC-AWEZNQCLSA-N	-1	0	297.439	3.696	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1C	ZINC000033473702	957185327	/nfs/dbraw/zinc/18/53/27/957185327.db2.gz	OJNJRCOBJIJNQV-POHAHGRESA-N	-1	0	280.323	3.898	20	30		CHEDRM
Cc1cc(F)c(C#N)c(N[C@H](CCC(C)(C)C)C(=O)[O-])c1	ZINC001594308983	957995171	/nfs/dbraw/zinc/99/51/71/957995171.db2.gz	IYNSELJMNLRDNF-CYBMUJFWSA-N	-1	0	292.354	3.697	20	30		CHEDRM
COc1ccc(C#N)cc1CSc1ccc(C(=O)[O-])cc1	ZINC000130191811	958730088	/nfs/dbraw/zinc/73/00/88/958730088.db2.gz	NIMQHKPSCXLJJU-UHFFFAOYSA-N	-1	0	299.351	3.557	20	30		CHEDRM
Cc1ccc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000213711198	959724056	/nfs/dbraw/zinc/72/40/56/959724056.db2.gz	UDRWQBCVALWPDO-YFHOEESVSA-N	-1	0	280.323	3.898	20	30		CHEDRM
Cc1cccc2c1CC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000729641020	1125481742	/nfs/dbraw/zinc/48/17/42/1125481742.db2.gz	ANXYUHIDUDIMLY-HKJBKDEOSA-N	-1	0	296.326	3.715	20	30		CHEDRM
C=CC1(CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])CCCCC1	ZINC001573350141	962966019	/nfs/dbraw/zinc/96/60/19/962966019.db2.gz	CRQZBPHVRAMKDG-ZDUSSCGKSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=CCCCCCCNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001573367588	963066925	/nfs/dbraw/zinc/06/69/25/963066925.db2.gz	XXBVYLGVBMLLEL-UHFFFAOYSA-N	-1	0	289.375	3.560	20	30		CHEDRM
C#CCCCCCCNc1cc(C(=O)[O-])c(C)cc1C	ZINC001588442738	964058474	/nfs/dbraw/zinc/05/84/74/964058474.db2.gz	WEVQQRUWQWVGSU-UHFFFAOYSA-N	-1	0	273.376	3.997	20	30		CHEDRM
C=CC[C@H](CC)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000393752076	972635375	/nfs/dbraw/zinc/63/53/75/972635375.db2.gz	WOCDIGFVQOQPRV-NSHDSACASA-N	-1	0	296.754	3.514	20	30		CHEDRM
CCCCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763368080	978721548	/nfs/dbraw/zinc/72/15/48/978721548.db2.gz	JRQDPIOHNWTXHB-UHFFFAOYSA-N	-1	0	297.358	3.786	20	30		CHEDRM
CCCCCCCCCCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000769479824	978741098	/nfs/dbraw/zinc/74/10/98/978741098.db2.gz	NUUBWKGRVQJUFZ-UHFFFAOYSA-N	-1	0	297.439	3.840	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c(C)s1	ZINC000774118096	978745819	/nfs/dbraw/zinc/74/58/19/978745819.db2.gz	ZMKLQDFSVFIEIA-VOTSOKGWSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cc(Cl)cs1	ZINC000782176032	978791556	/nfs/dbraw/zinc/79/15/56/978791556.db2.gz	DZFJQVMJWVNWIN-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2cc(Cl)cs2)c1	ZINC000782110610	978791925	/nfs/dbraw/zinc/79/19/25/978791925.db2.gz	IUMDAJHTMOUBGI-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
C=CCCCCCC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000789035221	978797996	/nfs/dbraw/zinc/79/79/96/978797996.db2.gz	YVWIUYIETXUOHG-UHFFFAOYSA-N	-1	0	275.352	3.704	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc3cnccc32)CC[C@H]1CC(=O)[O-]	ZINC000814835852	978890662	/nfs/dbraw/zinc/89/06/62/978890662.db2.gz	DGWGZPPVDGIQCN-RYUDHWBXSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CC(=NNc1cc(C)ccc1F)c1cc(C(=O)[O-])cs1	ZINC000814872612	978894827	/nfs/dbraw/zinc/89/48/27/978894827.db2.gz	RXLCVOUJSXXPTL-UHFFFAOYSA-N	-1	0	292.335	3.730	20	30		CHEDRM
CC(C)(C#N)CCSCc1cccc(C(=O)[O-])c1	ZINC000826072064	978944299	/nfs/dbraw/zinc/94/42/99/978944299.db2.gz	RXIUVOYUARDIKB-UHFFFAOYSA-N	-1	0	263.362	3.558	20	30		CHEDRM
Cc1c(N=NC2CCC[C@@H]2CCF)cccc1C(=O)[O-]	ZINC000844622215	979397339	/nfs/dbraw/zinc/39/73/39/979397339.db2.gz	ACTUQVQWXGEDDC-LLVKDONJSA-N	-1	0	278.327	3.621	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(F)c2Cl)CC[C@H]1CC(=O)[O-]	ZINC000863158404	979659454	/nfs/dbraw/zinc/65/94/54/979659454.db2.gz	AAPVYADBNXDMCN-IUCAKERBSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(F)c2Cl)CC[C@H]1CC(=O)[O-]	ZINC000863158402	979659661	/nfs/dbraw/zinc/65/96/61/979659661.db2.gz	AAPVYADBNXDMCN-BDAKNGLRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CCCC[C@@H](S[C@H](C#N)C1CCCCC1)C(=O)[O-]	ZINC001595652646	982036402	/nfs/dbraw/zinc/03/64/02/982036402.db2.gz	WBUUHKURDPKYPU-CHWSQXEVSA-N	-1	0	269.410	3.835	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910947671	982172372	/nfs/dbraw/zinc/17/23/72/982172372.db2.gz	JEFLCUJZTDNFPD-UHFFFAOYSA-N	-1	0	293.388	3.648	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001595704982	982282047	/nfs/dbraw/zinc/28/20/47/982282047.db2.gz	MIKZCLIPYJPQBM-ZNMIVQPWSA-N	-1	0	297.439	3.695	20	30		CHEDRM
CCCCCCCCCN(C)c1nc(C)cc(C(=O)[O-])n1	ZINC001595705398	982284425	/nfs/dbraw/zinc/28/44/25/982284425.db2.gz	YWYWHHORJCAHII-UHFFFAOYSA-N	-1	0	293.411	3.670	20	30		CHEDRM
C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1	ZINC001588605526	983693137	/nfs/dbraw/zinc/69/31/37/983693137.db2.gz	KVCLJCIUHSOMNW-LQKXBSAESA-N	-1	0	271.360	3.631	20	30		CHEDRM
C=C[C@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001588715352	983955306	/nfs/dbraw/zinc/95/53/06/983955306.db2.gz	WNPSAFDDIXKKQK-KCJUWKMLSA-N	-1	0	256.754	3.773	20	30		CHEDRM
C=CC[C@H](S[C@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588758289	984105338	/nfs/dbraw/zinc/10/53/38/984105338.db2.gz	FHMCGLZDFKEPMA-MFKMUULPSA-N	-1	0	266.362	3.519	20	30		CHEDRM
C=CC[C@@H](S[C@@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC001588759279	984110846	/nfs/dbraw/zinc/11/08/46/984110846.db2.gz	RKGUEHGWBFGBAS-JOYOIKCWSA-N	-1	0	254.326	3.649	20	30		CHEDRM
C=CC[C@@H]1CC[C@H](Nc2ccc(CCC(=O)[O-])cc2)C1	ZINC001588770661	984135138	/nfs/dbraw/zinc/13/51/38/984135138.db2.gz	CBIOLVVSTWMSQT-ZBFHGGJFSA-N	-1	0	273.376	3.861	20	30		CHEDRM
C=CCCC[C@H](Nc1nccc(C(=O)[O-])n1)c1ccccc1	ZINC001588798588	984237389	/nfs/dbraw/zinc/23/73/89/984237389.db2.gz	LANXWDSJMYFPLT-AWEZNQCLSA-N	-1	0	297.358	3.684	20	30		CHEDRM
C=CCCCCCSc1ncc(C(=O)[O-])s1	ZINC001588799965	984243774	/nfs/dbraw/zinc/24/37/74/984243774.db2.gz	SJPKOYZMJKRMFE-UHFFFAOYSA-N	-1	0	257.380	3.680	20	30		CHEDRM
CC(C)(C#N)CCSCc1csc(C(=O)[O-])c1	ZINC001589554645	987302218	/nfs/dbraw/zinc/30/22/18/987302218.db2.gz	IWFNHHIQPQZRFR-UHFFFAOYSA-N	-1	0	269.391	3.619	20	30		CHEDRM
CC(C)(CCC#N)CNc1cc(C(=O)[O-])cc2cccnc21	ZINC001590656317	990353334	/nfs/dbraw/zinc/35/33/34/990353334.db2.gz	OBOYPMVHVKGJRZ-UHFFFAOYSA-N	-1	0	297.358	3.675	20	30		CHEDRM
C[C@H](NN=C1CCC[C@H](CCCC(=O)[O-])C1)C(C)(C)C	ZINC001593318167	994828838	/nfs/dbraw/zinc/82/88/38/994828838.db2.gz	BLQRDAJFKVFJNZ-QWHCGFSZSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@@H](Sc1ncc(C(=O)[O-])s1)c1cccc(C#N)c1	ZINC001593678293	996091252	/nfs/dbraw/zinc/09/12/52/996091252.db2.gz	IVPGAZBBWGYQFO-MRVPVSSYSA-N	-1	0	290.369	3.566	20	30		CHEDRM
C[C@@H](Sc1nc(C(=O)[O-])cs1)c1cccc(C#N)c1	ZINC001593678945	996096597	/nfs/dbraw/zinc/09/65/97/996096597.db2.gz	CMLGEUZJIMOUQR-MRVPVSSYSA-N	-1	0	290.369	3.566	20	30		CHEDRM
CC1(C)C(N=Nc2ccc(CC(=O)[O-])cc2)[C@@H]2CCC[C@@H]21	ZINC001593816439	996555404	/nfs/dbraw/zinc/55/54/04/996555404.db2.gz	YRZOOGUDHJXJME-KGLIPLIRSA-N	-1	0	286.375	3.538	20	30		CHEDRM
C[C@@H]1C(=NN2CCC(C(C)(C)C)CC2)CC[C@H]1CC(=O)[O-]	ZINC001594120316	998268142	/nfs/dbraw/zinc/26/81/42/998268142.db2.gz	DYTKGHWWITYFKJ-STQMWFEESA-N	-1	0	294.439	3.621	20	30		CHEDRM
C=C1CC(C)(C(=O)Nc2c(Cl)ccc([O-])c2Cl)C1	ZINC001184787091	1122297525	/nfs/dbraw/zinc/29/75/25/1122297525.db2.gz	GGSVSBHYYHFJKV-UHFFFAOYSA-N	-1	0	286.158	3.994	20	30		CHEDRM
CC(C)CCCCN=Nc1ccc(CC(=O)[O-])cc1	ZINC000863126114	1123846169	/nfs/dbraw/zinc/84/61/69/1123846169.db2.gz	DNRNAOOOXXHPOS-UHFFFAOYSA-N	-1	0	262.353	3.538	20	30		CHEDRM
Cc1nc(C#N)ccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214796425	1134573637	/nfs/dbraw/zinc/57/36/37/1134573637.db2.gz	UORULWUAPVLWDV-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C#N	ZINC001211964774	1125531125	/nfs/dbraw/zinc/53/11/25/1125531125.db2.gz	AYILODIOBPXMSZ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
C#Cc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211965291	1125532631	/nfs/dbraw/zinc/53/26/31/1125532631.db2.gz	XPCRKCCHNLCDDN-UHFFFAOYSA-N	-1	0	271.703	3.763	20	30		CHEDRM
O=C(/C=C/c1cc2cc(F)ccc2o1)c1cc(O)ccc1O	ZINC000757467689	1125755683	/nfs/dbraw/zinc/75/56/83/1125755683.db2.gz	JWVSZHPGZLZUNM-HWKANZROSA-N	-1	0	298.269	3.879	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000907553638	1126980481	/nfs/dbraw/zinc/98/04/81/1126980481.db2.gz	GVGYUEVLWUIGMP-SECBINFHSA-N	-1	0	281.739	3.579	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000157218716	1127280348	/nfs/dbraw/zinc/28/03/48/1127280348.db2.gz	DDBCXOHLILDDQC-RMKNXTFCSA-N	-1	0	283.283	3.505	20	30		CHEDRM
CC[C@@H]1C(=O)N(c2ccc(C#N)c(Cl)c2)N=C1C(C)C	ZINC000601948899	1127553517	/nfs/dbraw/zinc/55/35/17/1127553517.db2.gz	NHVHOVMYDQOZFH-LBPRGKRZSA-N	-1	0	289.766	3.596	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1	ZINC000361530674	1127570193	/nfs/dbraw/zinc/57/01/93/1127570193.db2.gz	KLKAPWFKYQYHOQ-OAHLLOKOSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1[n-]n(-c2ccc(Cl)cc2Cl)c(=O)c1CCC#N	ZINC000603923373	1127682714	/nfs/dbraw/zinc/68/27/14/1127682714.db2.gz	COFFUGQNFVWXIY-SNVBAGLBSA-N	-1	0	296.157	3.636	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3sccc3c2)c1	ZINC000761571337	1128136329	/nfs/dbraw/zinc/13/63/29/1128136329.db2.gz	ICUWOKYHAHAZKY-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
C=CCN=c1[n-]nc(S[C@H](CC)c2ccccc2)s1	ZINC000494075563	1128156144	/nfs/dbraw/zinc/15/61/44/1128156144.db2.gz	QBVUJBASLLYNRL-GFCCVEGCSA-N	-1	0	291.445	3.801	20	30		CHEDRM
Cc1ccc(F)cc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000777915372	1128322558	/nfs/dbraw/zinc/32/25/58/1128322558.db2.gz	LCPOIZDMJQPBGM-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(F)c(F)c1)O2	ZINC000915988938	1128401957	/nfs/dbraw/zinc/40/19/57/1128401957.db2.gz	ORGGGYHQPKCWBI-MKMNVTDBSA-N	-1	0	288.249	3.595	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ns1	ZINC000562594852	1128412398	/nfs/dbraw/zinc/41/23/98/1128412398.db2.gz	WCJYVAZWLZYQOK-VIFPVBQESA-N	-1	0	299.380	3.551	20	30		CHEDRM
N#CCc1cccc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235995527	1128444097	/nfs/dbraw/zinc/44/40/97/1128444097.db2.gz	OVGWBQYZASMDIT-UHFFFAOYSA-N	-1	0	263.218	3.543	20	30		CHEDRM
Cc1ccc2c(c1)CC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920177952	1128670675	/nfs/dbraw/zinc/67/06/75/1128670675.db2.gz	MLDVKUPLXHVCLC-PMFHANACSA-N	-1	0	296.326	3.715	20	30		CHEDRM
Cc1ccccc1[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920943863	1128695308	/nfs/dbraw/zinc/69/53/08/1128695308.db2.gz	BVBFYZWDVSDKDS-HJPCULJESA-N	-1	0	284.315	3.789	20	30		CHEDRM
COc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000920942718	1128695685	/nfs/dbraw/zinc/69/56/85/1128695685.db2.gz	BZJRLRJUDKMWHG-UHFFFAOYSA-N	-1	0	297.141	3.853	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1	ZINC000175315811	1128723850	/nfs/dbraw/zinc/72/38/50/1128723850.db2.gz	IMWOQDRCEJKGOC-LZCJLJQNSA-N	-1	0	278.229	3.706	20	30		CHEDRM
N#CC(=C([O-])c1scnc1C1CCCC1)c1ccccn1	ZINC000185251814	1117796261	/nfs/dbraw/zinc/79/62/61/1117796261.db2.gz	ZAKICAGDEVQTIX-GFCCVEGCSA-N	-1	0	297.383	3.686	20	30		CHEDRM
N#Cc1cc(C(F)(F)F)ccc1-c1ccccc1C(=O)[O-]	ZINC001238842952	1118090013	/nfs/dbraw/zinc/09/00/13/1118090013.db2.gz	IPGQWLHJQYEWFB-UHFFFAOYSA-N	-1	0	291.228	3.942	20	30		CHEDRM
CC(=NNc1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1	ZINC000764642550	1118102732	/nfs/dbraw/zinc/10/27/32/1118102732.db2.gz	YHEPIUUMVLEPIC-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
O=C(/C=C\c1cccc(F)c1)c1ccc([O-])c(F)c1	ZINC000255144366	1118321231	/nfs/dbraw/zinc/32/12/31/1118321231.db2.gz	JKOIHVGBSPLIME-XQRVVYSFSA-N	-1	0	260.239	3.567	20	30		CHEDRM
COc1cc(Nc2ccc(C)cc2C#N)ccc1[S-]	ZINC001210568676	1118328355	/nfs/dbraw/zinc/32/83/55/1118328355.db2.gz	PIZYQXAVWAUTRU-UHFFFAOYSA-N	-1	0	270.357	3.908	20	30		CHEDRM
CC(C)(C)c1noc(Nc2cccc([S-])c2)c1C#N	ZINC001210945733	1118428474	/nfs/dbraw/zinc/42/84/74/1118428474.db2.gz	ZWZPGTTXSSTVQL-UHFFFAOYSA-N	-1	0	273.361	3.876	20	30		CHEDRM
Cc1sc(Nc2ccccc2C(=O)[O-])c(C#N)c1C	ZINC001210969516	1118433719	/nfs/dbraw/zinc/43/37/19/1118433719.db2.gz	LWAJGNUFDJAKAJ-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
O=C(/C=C\c1c(F)cccc1F)c1ccc([O-])c(F)c1	ZINC000255202980	1118444456	/nfs/dbraw/zinc/44/44/56/1118444456.db2.gz	HDTUYDUUYCUQNL-ALCCZGGFSA-N	-1	0	278.229	3.706	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782201542	1118504545	/nfs/dbraw/zinc/50/45/45/1118504545.db2.gz	UKOVQVNNLUZZGT-NSCUHMNNSA-N	-1	0	278.354	3.712	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000255365544	1118675202	/nfs/dbraw/zinc/67/52/02/1118675202.db2.gz	XSPLMOKYHUOZTJ-DJWKRKHSSA-N	-1	0	289.312	3.566	20	30		CHEDRM
CSc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000255366350	1118675999	/nfs/dbraw/zinc/67/59/99/1118675999.db2.gz	OSNZAJKTESDNIJ-UHFFFAOYSA-N	-1	0	288.328	3.773	20	30		CHEDRM
COc1cc(C#N)cc(Nc2c(O)cccc2Cl)c1	ZINC001215988089	1118677488	/nfs/dbraw/zinc/67/74/88/1118677488.db2.gz	RHKFFJPJTSQUCY-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
O=C(/C=C\c1cncs1)c1ccc2ccccc2c1[O-]	ZINC000255417490	1118879762	/nfs/dbraw/zinc/87/97/62/1118879762.db2.gz	CQQATKPAGITMIJ-VURMDHGXSA-N	-1	0	281.336	3.898	20	30		CHEDRM
C=CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728438997	1118947219	/nfs/dbraw/zinc/94/72/19/1118947219.db2.gz	TTWSVGXYTJKANC-UITAMQMPSA-N	-1	0	298.313	3.992	20	30		CHEDRM
O=C(/C=C/c1cccc2cnccc12)c1ccc([O-])c(F)c1	ZINC000180931658	1128823968	/nfs/dbraw/zinc/82/39/68/1128823968.db2.gz	RAVAFOSIOURKTD-GQCTYLIASA-N	-1	0	293.297	3.976	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000023164347	1119287516	/nfs/dbraw/zinc/28/75/16/1119287516.db2.gz	XRKRAFLNLDKYHG-JXMROGBWSA-N	-1	0	266.296	3.589	20	30		CHEDRM
Cc1ccc(Nc2ccc(F)c(C#N)c2F)cc1C(=O)[O-]	ZINC001211604098	1119440994	/nfs/dbraw/zinc/44/09/94/1119440994.db2.gz	OHDUJOBWHXRCEH-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1cccc(F)c1	ZINC000176818446	1119496339	/nfs/dbraw/zinc/49/63/39/1119496339.db2.gz	NXRQTAAQFPBQAL-NSHDSACASA-N	-1	0	298.317	3.535	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1C1CC1)c1nc(C2CC2)cs1	ZINC000647379340	1119712565	/nfs/dbraw/zinc/71/25/65/1119712565.db2.gz	AKIKDDMMOVIQCO-LBPRGKRZSA-N	-1	0	298.367	3.981	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000255830511	1119750227	/nfs/dbraw/zinc/75/02/27/1119750227.db2.gz	DWCMXEPEXRKWAE-YVMONPNESA-N	-1	0	283.283	3.505	20	30		CHEDRM
C=CCCO[N-]C(=O)C1c2ccccc2Oc2ccccc21	ZINC001168627625	1120090223	/nfs/dbraw/zinc/09/02/23/1120090223.db2.gz	SNYPHZYCMAGKAB-UHFFFAOYSA-N	-1	0	295.338	3.548	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)cn2C(C)(C)C)ccc1C(=O)[O-]	ZINC001211649897	1120173993	/nfs/dbraw/zinc/17/39/93/1120173993.db2.gz	DWPNPZSLCRVOHN-UHFFFAOYSA-N	-1	0	297.358	3.865	20	30		CHEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000119265138	1120196724	/nfs/dbraw/zinc/19/67/24/1120196724.db2.gz	WEGAMYQVANLWSG-FNORWQNLSA-N	-1	0	283.714	3.813	20	30		CHEDRM
Cc1cc(Nc2onc(C(C)(C)C)c2C#N)ccc1C(=O)[O-]	ZINC001211653047	1120415077	/nfs/dbraw/zinc/41/50/77/1120415077.db2.gz	YKZGTMMKRXLTRR-UHFFFAOYSA-N	-1	0	299.330	3.594	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)c(F)c2F)ccc1C(=O)[O-]	ZINC001211658602	1120635423	/nfs/dbraw/zinc/63/54/23/1120635423.db2.gz	UHRVJLNTDWFLRK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C(C)C)n2)n1	ZINC000171145458	1121096546	/nfs/dbraw/zinc/09/65/46/1121096546.db2.gz	AUKLMNBNCJIMHL-SECBINFHSA-N	-1	0	291.401	3.522	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC001174953785	1121109607	/nfs/dbraw/zinc/10/96/07/1121109607.db2.gz	OBWNHTDXWWIOKG-LBPRGKRZSA-N	-1	0	280.327	3.684	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cc(C(=O)[O-])ccc2C)c1	ZINC001174982516	1121140404	/nfs/dbraw/zinc/14/04/04/1121140404.db2.gz	QBDAHXUSCQSKCG-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(Cl)cccc1C#N	ZINC001174981939	1121140421	/nfs/dbraw/zinc/14/04/21/1121140421.db2.gz	JLMKVXYYALABFV-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(F)c(C#N)c1F	ZINC001174982446	1121141055	/nfs/dbraw/zinc/14/10/55/1121141055.db2.gz	OPGZYQDGTBIBDR-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)c(C#N)cc1C	ZINC001174983587	1121141299	/nfs/dbraw/zinc/14/12/99/1121141299.db2.gz	DAYIRGGIXRYUFD-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)c(F)c1	ZINC001175247713	1121244835	/nfs/dbraw/zinc/24/48/35/1121244835.db2.gz	IYTXWUMURIMHKA-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
Cc1coc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC001175316691	1121280903	/nfs/dbraw/zinc/28/09/03/1121280903.db2.gz	QPADKXZOYFOVLQ-UHFFFAOYSA-N	-1	0	276.679	3.555	20	30		CHEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175320425	1121281881	/nfs/dbraw/zinc/28/18/81/1121281881.db2.gz	QMCJVHJOAXBWMJ-UHFFFAOYSA-N	-1	0	271.703	3.763	20	30		CHEDRM
C=C(C)c1ccccc1Nc1cncc(C(=O)[O-])c1	ZINC001175843425	1121471667	/nfs/dbraw/zinc/47/16/67/1121471667.db2.gz	NOSOBANMGUHJKS-UHFFFAOYSA-N	-1	0	254.289	3.557	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1csc(C(=O)[O-])c1	ZINC001176435630	1121621378	/nfs/dbraw/zinc/62/13/78/1121621378.db2.gz	MASQBQVPDAIFQV-UHFFFAOYSA-N	-1	0	284.296	3.808	20	30		CHEDRM
C#Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1F	ZINC001176590367	1121649099	/nfs/dbraw/zinc/64/90/99/1121649099.db2.gz	QZSKIPPHCHTSIZ-UHFFFAOYSA-N	-1	0	295.313	3.667	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176592674	1121650174	/nfs/dbraw/zinc/65/01/74/1121650174.db2.gz	MEHLBFMREQBFGL-WEVVVXLNSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1F	ZINC001176672510	1121673595	/nfs/dbraw/zinc/67/35/95/1121673595.db2.gz	YTHOHYIHVVENKS-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001176712555	1121690418	/nfs/dbraw/zinc/69/04/18/1121690418.db2.gz	HKNPJBLNSZRFOP-LLVKDONJSA-N	-1	0	266.300	3.755	20	30		CHEDRM
CC[C@@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000727781585	1121740131	/nfs/dbraw/zinc/74/01/31/1121740131.db2.gz	QVXJQQKMSVXFJA-BRYHAGSVSA-N	-1	0	298.342	3.741	20	30		CHEDRM
C[C@@H]1CCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000729141046	1121758064	/nfs/dbraw/zinc/75/80/64/1121758064.db2.gz	SAHMMZLXTPNJRS-MRVPVSSYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NNCc1ccccc1	ZINC000814752184	1121774603	/nfs/dbraw/zinc/77/46/03/1121774603.db2.gz	AAOAKLBMJOZFDL-UHFFFAOYSA-N	-1	0	276.380	3.577	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730148825	1121794396	/nfs/dbraw/zinc/79/43/96/1121794396.db2.gz	MRFFUVRUOFVZIF-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccccc2Cl)cs1	ZINC000730149648	1121794770	/nfs/dbraw/zinc/79/47/70/1121794770.db2.gz	YKDINYAURVORAC-AATRIKPKSA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c(C)c1	ZINC000730149147	1121796208	/nfs/dbraw/zinc/79/62/08/1121796208.db2.gz	TZCCGUNULXBRFA-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\CCCc3ccccc3C2=O)c1	ZINC000774107277	1122127704	/nfs/dbraw/zinc/12/77/04/1122127704.db2.gz	XQTWEJWAPITENT-RVDMUPIBSA-N	-1	0	292.334	3.987	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1C	ZINC000774140862	1122129957	/nfs/dbraw/zinc/12/99/57/1122129957.db2.gz	VWRVZCLRZQURNK-MDZDMXLPSA-N	-1	0	280.323	3.898	20	30		CHEDRM
Cc1ccc(F)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774134835	1122132829	/nfs/dbraw/zinc/13/28/29/1122132829.db2.gz	OVOUACBASKNYNI-VURMDHGXSA-N	-1	0	284.286	3.728	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000504294865	1122291987	/nfs/dbraw/zinc/29/19/87/1122291987.db2.gz	FUCLVRKEMWUKTB-UHFFFAOYSA-N	-1	0	292.338	3.635	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000424780673	1122345149	/nfs/dbraw/zinc/34/51/49/1122345149.db2.gz	NKWFAHOBJDJWLX-UHFFFAOYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
CCc1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000434559150	1122379001	/nfs/dbraw/zinc/37/90/01/1122379001.db2.gz	NCQZYMKRLORXQK-ZDUSSCGKSA-N	-1	0	299.399	3.714	20	30		CHEDRM
Cc1ccsc1C=CC(=O)c1sccc1[O-]	ZINC000193147890	1129056386	/nfs/dbraw/zinc/05/63/86/1129056386.db2.gz	LBPUVJQIJMGALI-NSCUHMNNSA-N	-1	0	250.344	3.720	20	30		CHEDRM
CCCN=c1[n-]nc(SCCCCC(C)(C)C#N)s1	ZINC000436189665	1122519375	/nfs/dbraw/zinc/51/93/75/1122519375.db2.gz	RDQPEYJXSJAUCP-UHFFFAOYSA-N	-1	0	298.481	3.594	20	30		CHEDRM
N#Cc1cc(C(=O)Nc2cc3ccccc3s2)ccc1[O-]	ZINC001193497868	1122694007	/nfs/dbraw/zinc/69/40/07/1122694007.db2.gz	DNVOTXFDPLBUKG-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
C=CCOC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-]	ZINC001194319818	1122765655	/nfs/dbraw/zinc/76/56/55/1122765655.db2.gz	GHVQAKHHUVURDV-UHFFFAOYSA-N	-1	0	276.119	3.742	20	30		CHEDRM
O=C(/C=C\c1ccc(F)c(F)c1)c1ccccc1[O-]	ZINC000101353473	1122809017	/nfs/dbraw/zinc/80/90/17/1122809017.db2.gz	TUXXLLJAIKMZJR-VURMDHGXSA-N	-1	0	260.239	3.567	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2Cl)s1	ZINC000140495853	1122813583	/nfs/dbraw/zinc/81/35/83/1122813583.db2.gz	YAURNYBMNNUPAN-WAYWQWQTSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C#Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1	ZINC001195158977	1122852191	/nfs/dbraw/zinc/85/21/91/1122852191.db2.gz	JCRQXVUQUKIUHU-UHFFFAOYSA-N	-1	0	299.395	3.592	20	30		CHEDRM
O=C(/C=C\c1cc(Cl)c([O-])cc1Cl)c1ccncc1	ZINC000776188407	1123103053	/nfs/dbraw/zinc/10/30/53/1123103053.db2.gz	MXBLRRAYCMHFSO-UPHRSURJSA-N	-1	0	294.137	3.990	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCCOC1	ZINC000193680205	1129104291	/nfs/dbraw/zinc/10/42/91/1129104291.db2.gz	QLAOWSRSUJMFAC-UHDDOIDHSA-N	-1	0	288.174	3.545	20	30		CHEDRM
O=C(/C=C/c1cccc(F)c1F)c1ccc([O-])c(F)c1	ZINC000107417718	1123221402	/nfs/dbraw/zinc/22/14/02/1123221402.db2.gz	NEHFSDJQLLMJNZ-GQCTYLIASA-N	-1	0	278.229	3.706	20	30		CHEDRM
Cc1cc(C)cc(/C=C2\Oc3cc(O)ccc3C2=O)c1	ZINC000049372023	1123244142	/nfs/dbraw/zinc/24/41/42/1123244142.db2.gz	OZNIJUANISHIRR-PXNMLYILSA-N	-1	0	266.296	3.625	20	30		CHEDRM
COc1cccc(/C=C2\C(=O)c3c(c(F)ccc3O)[C@H]2C)c1	ZINC000007333204	1123248824	/nfs/dbraw/zinc/24/88/24/1123248824.db2.gz	MFXRGILJYYPMMM-AVMBBCFPSA-N	-1	0	298.313	3.923	20	30		CHEDRM
Cc1ccc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545790	1123592408	/nfs/dbraw/zinc/59/24/08/1123592408.db2.gz	QXPXPBPOZBWNFP-AWEZNQCLSA-N	-1	0	290.322	3.935	20	30		CHEDRM
C[C@@H]1CSC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000794676268	1123926876	/nfs/dbraw/zinc/92/68/76/1123926876.db2.gz	KUSSKBMVKLJZGY-PLEGFUGSSA-N	-1	0	290.215	3.869	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H](C)c1ccncc1	ZINC000819819203	1131266271	/nfs/dbraw/zinc/26/62/71/1131266271.db2.gz	UANOPJOSNSIGJP-CQSZACIVSA-N	-1	0	291.395	3.533	20	30		CHEDRM
N#CCc1c[nH]c2cccc(-c3ccc(C(=O)[O-])cc3F)c12	ZINC001239261626	1131308993	/nfs/dbraw/zinc/30/89/93/1131308993.db2.gz	OZUVFQJSUDCDLZ-UHFFFAOYSA-N	-1	0	294.285	3.738	20	30		CHEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1CC#N	ZINC001239261204	1131308438	/nfs/dbraw/zinc/30/84/38/1131308438.db2.gz	ACZMOYAAWXVQQP-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239351294	1131321219	/nfs/dbraw/zinc/32/12/19/1131321219.db2.gz	CRFPHPHKLKDPTE-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
CCc1cc(=O)[nH]c(CS[C@@H](C)c2cccc(C#N)c2)n1	ZINC000190810846	1125274004	/nfs/dbraw/zinc/27/40/04/1125274004.db2.gz	CFICHHNHJJARNF-NSHDSACASA-N	-1	0	299.399	3.611	20	30		CHEDRM
O=C(/C=C/c1cc(-n2ccnc2)cs1)c1ccccc1[O-]	ZINC000783710345	1125285359	/nfs/dbraw/zinc/28/53/59/1125285359.db2.gz	GEYRRMJYEXUTGG-AATRIKPKSA-N	-1	0	296.351	3.536	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cnc1Cl	ZINC000760264636	1125431181	/nfs/dbraw/zinc/43/11/81/1125431181.db2.gz	KMWOYFYPPTWRDS-DUXPYHPUSA-N	-1	0	291.709	3.784	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2ccc(C)c(C)c2)n1	ZINC000041519702	1125433747	/nfs/dbraw/zinc/43/37/47/1125433747.db2.gz	ZRGZZVNFIFSHHS-ZDUSSCGKSA-N	-1	0	270.357	3.558	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2cc(F)ccc2[O-])n1	ZINC001240696592	1129321351	/nfs/dbraw/zinc/32/13/51/1129321351.db2.gz	SPHSVJBXFGWYSM-UHFFFAOYSA-N	-1	0	270.307	3.762	20	30		CHEDRM
CC1(C)CCC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000741466618	1129437048	/nfs/dbraw/zinc/43/70/48/1129437048.db2.gz	YDULDAZBYNXWDA-YBEGLDIGSA-N	-1	0	276.336	3.688	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])ccc1C#N	ZINC000766492085	1129670316	/nfs/dbraw/zinc/67/03/16/1129670316.db2.gz	UWQSHRMIAYEAON-CLTKARDFSA-N	-1	0	281.286	3.608	20	30		CHEDRM
C#Cc1cccc(N(CC)C(=O)c2ccc(Cl)cc2[O-])c1	ZINC000103029087	1129684972	/nfs/dbraw/zinc/68/49/72/1129684972.db2.gz	VVNWUYMSWPRWSN-UHFFFAOYSA-N	-1	0	299.757	3.694	20	30		CHEDRM
COc1ccc(C#N)c(Nc2ccc(Cl)c([O-])c2)c1	ZINC001212593427	1129744379	/nfs/dbraw/zinc/74/43/79/1129744379.db2.gz	PYXNTHUKVQWQKC-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccc(F)cc2Cl)cc1	ZINC000767735796	1129811219	/nfs/dbraw/zinc/81/12/19/1129811219.db2.gz	UNDQTDLDXFXNBU-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
Cc1nc(-c2ccc(C3CC3)c(C#N)c2)sc1C(=O)[O-]	ZINC000901080423	1129909312	/nfs/dbraw/zinc/90/93/12/1129909312.db2.gz	RYTRQWDLIXIVPQ-UHFFFAOYSA-N	-1	0	284.340	3.566	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2c2ccccc2)cc1	ZINC000769764715	1129922543	/nfs/dbraw/zinc/92/25/43/1129922543.db2.gz	CCDVOFZSNFANFX-HNNXBMFYSA-N	-1	0	280.327	3.730	20	30		CHEDRM
CC(=NNc1cccc(Cl)c1)c1sccc1[O-]	ZINC000769764508	1129922591	/nfs/dbraw/zinc/92/25/91/1129922591.db2.gz	ZORPWSAJZJEOFG-UHFFFAOYSA-N	-1	0	266.753	3.943	20	30		CHEDRM
CCc1ccccc1NN=C(C)c1sccc1[O-]	ZINC000769779258	1129923326	/nfs/dbraw/zinc/92/33/26/1129923326.db2.gz	BAXFADICSZTRJF-UHFFFAOYSA-N	-1	0	260.362	3.852	20	30		CHEDRM
[O-]/N=C/c1ccc(-c2cc(F)ccc2F)cc1F	ZINC001239713149	1130068493	/nfs/dbraw/zinc/06/84/93/1130068493.db2.gz	POOJIOXFMBBEPZ-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(F)c([O-])c2)c1	ZINC001243062942	1130216993	/nfs/dbraw/zinc/21/69/93/1130216993.db2.gz	PZSISODJAKLSIQ-UHFFFAOYSA-N	-1	0	252.248	3.551	20	30		CHEDRM
Cn1ccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000748286106	1130226005	/nfs/dbraw/zinc/22/60/05/1130226005.db2.gz	QAAXDTUHXAGZGU-FRKPEAEDSA-N	-1	0	283.158	3.657	20	30		CHEDRM
C=CCOc1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1	ZINC000780188099	1130234074	/nfs/dbraw/zinc/23/40/74/1130234074.db2.gz	LABGYGFPMWZOMJ-GDNBJRDFSA-N	-1	0	292.334	3.779	20	30		CHEDRM
CC1=C[C@H](C)C[C@@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000789639998	1130267624	/nfs/dbraw/zinc/26/76/24/1130267624.db2.gz	PDTPOFOXSQITFK-WCQYABFASA-N	-1	0	272.348	3.775	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2cccc(/C=C/C(=O)[O-])c2)[nH]1	ZINC001240549381	1130352417	/nfs/dbraw/zinc/35/24/17/1130352417.db2.gz	FMSTYWHJCQKBQC-BQYQJAHWSA-N	-1	0	288.306	3.804	20	30		CHEDRM
COc1cc(-c2ccc([C@H](C)C#N)cc2)ccc1C(=O)[O-]	ZINC001240744640	1130451325	/nfs/dbraw/zinc/45/13/25/1130451325.db2.gz	JNKXPKISBXEDRI-LLVKDONJSA-N	-1	0	281.311	3.687	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2ccc(C#N)cc2F)c1	ZINC000772801203	1130458040	/nfs/dbraw/zinc/45/80/40/1130458040.db2.gz	KQJWCPMOEDTTRP-ALCCZGGFSA-N	-1	0	281.286	3.608	20	30		CHEDRM
N#CCc1cc2ccccc2nc1-c1ccc(C(=O)[O-])s1	ZINC001240846396	1130491238	/nfs/dbraw/zinc/49/12/38/1130491238.db2.gz	YJCFEZUOXFLIPB-UHFFFAOYSA-N	-1	0	294.335	3.728	20	30		CHEDRM
[O-]/N=C/c1cccc(-c2ccc(F)c(F)c2F)c1	ZINC001240990715	1130555362	/nfs/dbraw/zinc/55/53/62/1130555362.db2.gz	IWFCUXPWCQSTGK-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2c(C#N)c[nH]c2c1	ZINC001241002333	1130559747	/nfs/dbraw/zinc/55/97/47/1130559747.db2.gz	WOLREJVMUKLRIJ-UHFFFAOYSA-N	-1	0	276.295	3.713	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2ncccc2c1C#N	ZINC001241003747	1130560596	/nfs/dbraw/zinc/56/05/96/1130560596.db2.gz	XLTSGQKTANTUMJ-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1c(C#N)c(-c2ccccc2[O-])nc2ccccc12	ZINC001241007658	1130562402	/nfs/dbraw/zinc/56/24/02/1130562402.db2.gz	HFNSNLQZBWXDOD-UHFFFAOYSA-N	-1	0	260.296	3.788	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NO[C@@H]2CCCCO2)cc1Cl	ZINC000758117970	1130598181	/nfs/dbraw/zinc/59/81/81/1130598181.db2.gz	JMZOTAXKXSCJIL-GFCCVEGCSA-N	-1	0	290.146	3.576	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC3(CCCC3)CC2)nc1	ZINC000811645892	1130629156	/nfs/dbraw/zinc/62/91/56/1130629156.db2.gz	DSCGEEVQNBIRNJ-UHFFFAOYSA-N	-1	0	287.363	3.682	20	30		CHEDRM
N#C[C@H]1CC[C@@H](Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234426988	1130643876	/nfs/dbraw/zinc/64/38/76/1130643876.db2.gz	NKDPAIHOBYCOGV-DTWKUNHWSA-N	-1	0	276.386	3.656	20	30		CHEDRM
[O-]N=Cc1ccccc1O[C@@H](c1cccnc1)C(F)(F)F	ZINC001234820092	1130678849	/nfs/dbraw/zinc/67/88/49/1130678849.db2.gz	RSWBDZISCPEZAH-ZDUSSCGKSA-N	-1	0	296.248	3.572	20	30		CHEDRM
N#CCCOc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001235623921	1130758791	/nfs/dbraw/zinc/75/87/91/1130758791.db2.gz	XNYDPZADTPBABD-NYYWCZLTSA-N	-1	0	293.322	3.744	20	30		CHEDRM
Cc1ccc2c(c1)C/C(=C/c1cc(C(=O)[O-])cs1)C2=O	ZINC000782199179	1130761757	/nfs/dbraw/zinc/76/17/57/1130761757.db2.gz	CNNSUCUYLFWNAW-WDZFZDKYSA-N	-1	0	284.336	3.577	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccc(F)cc2F)c1	ZINC000782199879	1130761962	/nfs/dbraw/zinc/76/19/62/1130761962.db2.gz	JJJFZZSXTBTZCD-RQOWECAXSA-N	-1	0	294.278	3.621	20	30		CHEDRM
Cc1ccc(F)c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000782207794	1130762796	/nfs/dbraw/zinc/76/27/96/1130762796.db2.gz	RBMDHJSNHVEWOO-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
O=C(/C=C\c1ccc2cnccc2c1)c1ccc(F)cc1[O-]	ZINC000782347657	1130774063	/nfs/dbraw/zinc/77/40/63/1130774063.db2.gz	MBTFSDTVKOJKQZ-KXFIGUGUSA-N	-1	0	293.297	3.976	20	30		CHEDRM
N#CCc1ccc(-c2c(F)cc(F)c([O-])c2F)cc1	ZINC001235994080	1130824694	/nfs/dbraw/zinc/82/46/94/1130824694.db2.gz	JKHKUXDQMWVFEA-UHFFFAOYSA-N	-1	0	263.218	3.543	20	30		CHEDRM
Cc1cc(-c2c(F)cc(F)c([O-])c2F)cc(C)c1C#N	ZINC001235998475	1130827798	/nfs/dbraw/zinc/82/77/98/1130827798.db2.gz	NPBZXGQUJRJJNO-UHFFFAOYSA-N	-1	0	277.245	3.965	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(Cl)cc1F	ZINC000783515109	1130832254	/nfs/dbraw/zinc/83/22/54/1130832254.db2.gz	WFDHRLNHGLSFPA-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CC[C@H]1CCOC1	ZINC000783684432	1130846585	/nfs/dbraw/zinc/84/65/85/1130846585.db2.gz	GGHNQUNGFHFKMX-JUAVFEPTSA-N	-1	0	288.174	3.545	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2Cl)o1	ZINC000783701781	1130849719	/nfs/dbraw/zinc/84/97/19/1130849719.db2.gz	LUNQUTCFOMNGOM-WAYWQWQTSA-N	-1	0	290.702	3.836	20	30		CHEDRM
CC(=NOCC1CC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000814241610	1130852057	/nfs/dbraw/zinc/85/20/57/1130852057.db2.gz	LXFZKVXHEQESQV-UHFFFAOYSA-N	-1	0	274.147	3.850	20	30		CHEDRM
O=C([O-])c1ccc(C=NOCc2ccccc2)c(Cl)c1	ZINC000783821014	1130856690	/nfs/dbraw/zinc/85/66/90/1130856690.db2.gz	KGDFGULBKIVHEL-UHFFFAOYSA-N	-1	0	289.718	3.589	20	30		CHEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(C)c2Cl)ccc1C#N	ZINC001236112205	1130867664	/nfs/dbraw/zinc/86/76/64/1130867664.db2.gz	CCYMXXHRZIGOSN-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
Cc1cccc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)c1	ZINC000814687724	1130899953	/nfs/dbraw/zinc/89/99/53/1130899953.db2.gz	SKUNFHGRNYLAOF-UHFFFAOYSA-N	-1	0	294.354	3.579	20	30		CHEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CC1(C)C	ZINC000814690024	1130901323	/nfs/dbraw/zinc/90/13/23/1130901323.db2.gz	QPVRJWJVXDOGOJ-LLVKDONJSA-N	-1	0	280.755	3.872	20	30		CHEDRM
[O-]c1cc(F)c(Cl)cc1C=NOCc1ccccc1	ZINC000814791808	1130911968	/nfs/dbraw/zinc/91/19/68/1130911968.db2.gz	MWNRPCYXKMMTSU-UHFFFAOYSA-N	-1	0	279.698	3.735	20	30		CHEDRM
CCc1ccccc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814802267	1130912616	/nfs/dbraw/zinc/91/26/16/1130912616.db2.gz	ZCIGCTIAHMHWDS-WCQYABFASA-N	-1	0	274.364	3.538	20	30		CHEDRM
CCc1ccccc1NN=C(C)c1csc(C(=O)[O-])c1	ZINC000814801629	1130913178	/nfs/dbraw/zinc/91/31/78/1130913178.db2.gz	JOOVWYLHELUNAK-UHFFFAOYSA-N	-1	0	288.372	3.845	20	30		CHEDRM
C[C@H]1CC(N=Nc2cccc3ncccc23)CC[C@H]1C(=O)[O-]	ZINC000814804151	1130919066	/nfs/dbraw/zinc/91/90/66/1130919066.db2.gz	BYQGWPLCNZLZPE-WCQYABFASA-N	-1	0	297.358	3.524	20	30		CHEDRM
CC(N=Nc1c(F)cccc1F)c1csc(C(=O)[O-])c1	ZINC000814853016	1130924020	/nfs/dbraw/zinc/92/40/20/1130924020.db2.gz	XXAJPZBQECBQGU-UHFFFAOYSA-N	-1	0	296.298	3.561	20	30		CHEDRM
Cc1ccc(F)c(-c2nc(C)c(C)c(C)c2C#N)c1[O-]	ZINC001236390718	1130925105	/nfs/dbraw/zinc/92/51/05/1130925105.db2.gz	HEVUEMRNUDDCKL-UHFFFAOYSA-N	-1	0	270.307	3.699	20	30		CHEDRM
Cc1cccc(CN=NC(C)CCCCCCC(=O)[O-])c1	ZINC000814872960	1130927680	/nfs/dbraw/zinc/92/76/80/1130927680.db2.gz	FVTZDXIZTOTRAJ-UHFFFAOYSA-N	-1	0	290.407	3.886	20	30		CHEDRM
CCC(CC)CNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814906265	1130933679	/nfs/dbraw/zinc/93/36/79/1130933679.db2.gz	MMLRSGPBYWWRSE-AAEUAGOBSA-N	-1	0	282.428	3.525	20	30		CHEDRM
C#C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000798343497	1131032995	/nfs/dbraw/zinc/03/29/95/1131032995.db2.gz	IBGPBJZPYCUIGV-QFULYMJESA-N	-1	0	270.159	3.776	20	30		CHEDRM
C#C[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000798343498	1131033192	/nfs/dbraw/zinc/03/31/92/1131033192.db2.gz	IBGPBJZPYCUIGV-VQZCYCSMSA-N	-1	0	270.159	3.776	20	30		CHEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=C3CCCC3)nc21	ZINC000815954918	1131038881	/nfs/dbraw/zinc/03/88/81/1131038881.db2.gz	NVRQFXGBCQWTRF-GFCCVEGCSA-N	-1	0	297.333	3.845	20	30		CHEDRM
CC(C)(C)C[N@H+](CCC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000816504236	1131102522	/nfs/dbraw/zinc/10/25/22/1131102522.db2.gz	FDUXRXDFYPXOQD-UHFFFAOYSA-N	-1	0	298.789	3.946	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CCC23CCC3)ccc1Cl	ZINC000799864031	1131109784	/nfs/dbraw/zinc/10/97/84/1131109784.db2.gz	IUUMNSLCNIQKER-UHFFFAOYSA-N	-1	0	278.739	3.770	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C/c2ccc(C#N)cc2)c([O-])c1	ZINC000799895050	1131113494	/nfs/dbraw/zinc/11/34/94/1131113494.db2.gz	JPPPXVCVCLWXHT-BQYQJAHWSA-N	-1	0	277.323	3.777	20	30		CHEDRM
N#CCC[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCCC1	ZINC001237812285	1131142411	/nfs/dbraw/zinc/14/24/11/1131142411.db2.gz	FHHQVQVGRYVMJG-UHFFFAOYSA-N	-1	0	296.773	3.843	20	30		CHEDRM
N#CCCN(Cc1cc(Cl)c([O-])cc1F)C1CCCC1	ZINC001238148273	1131174204	/nfs/dbraw/zinc/17/42/04/1131174204.db2.gz	QQRHYEUXPPRBJM-UHFFFAOYSA-N	-1	0	296.773	3.843	20	30		CHEDRM
CCOc1cc(-c2ccc(/C=N/[O-])c(F)c2)c(Cl)cn1	ZINC001245818594	1131193603	/nfs/dbraw/zinc/19/36/03/1131193603.db2.gz	JRBXOWXRMIHRCU-CNHKJKLMSA-N	-1	0	294.713	3.748	20	30		CHEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@@H]1C[C@H]1C	ZINC000844624493	1131586873	/nfs/dbraw/zinc/58/68/73/1131586873.db2.gz	YJWMCUHBJSFVIP-BXKDBHETSA-N	-1	0	260.337	3.527	20	30		CHEDRM
Cc1c(N=NC(C)CC2CCC2)cccc1C(=O)[O-]	ZINC000844625224	1131587070	/nfs/dbraw/zinc/58/70/70/1131587070.db2.gz	WQJXPBPJSSQTNF-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
Cc1c(N=NC(C(C)C)C2CC2)cccc1C(=O)[O-]	ZINC000844624515	1131587396	/nfs/dbraw/zinc/58/73/96/1131587396.db2.gz	QQYGVPHVSXJMHY-UHFFFAOYSA-N	-1	0	260.337	3.527	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl	ZINC000846548085	1131713762	/nfs/dbraw/zinc/71/37/62/1131713762.db2.gz	CYWLOCJSEFWZMV-IUCAKERBSA-N	-1	0	288.174	3.719	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCCC12CCC2	ZINC000834967053	1131743176	/nfs/dbraw/zinc/74/31/76/1131743176.db2.gz	SACZGCOTGAHCGY-UHFFFAOYSA-N	-1	0	288.347	3.516	20	30		CHEDRM
CC(C)CCC(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010104	1131754778	/nfs/dbraw/zinc/75/47/78/1131754778.db2.gz	OIOIFHCXGQSMSK-UHFFFAOYSA-N	-1	0	266.316	3.748	20	30		CHEDRM
CC1(C)CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012257	1131755061	/nfs/dbraw/zinc/75/50/61/1131755061.db2.gz	OCBGPDVBUBFJKM-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CC1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000835011916	1131755416	/nfs/dbraw/zinc/75/54/16/1131755416.db2.gz	KRMCQNXXOPOLTH-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C=CCc1cc(OC)c(O[C@H](C)C2=CC=C[CH]2)c(OC)c1	ZINC001228428290	1131880532	/nfs/dbraw/zinc/88/05/32/1131880532.db2.gz	YBUSMUWPSKSTFY-CYBMUJFWSA-N	-1	0	285.363	3.900	20	30		CHEDRM
COc1cc(/C=C\C(=O)c2ccccc2[O-])ccc1C	ZINC000773144060	1131961064	/nfs/dbraw/zinc/96/10/64/1131961064.db2.gz	VRDJIDDNLPGHCR-KTKRTIGZSA-N	-1	0	268.312	3.605	20	30		CHEDRM
Cc1cc(F)ccc1C=CC(=O)c1sccc1[O-]	ZINC000773147955	1131962606	/nfs/dbraw/zinc/96/26/06/1131962606.db2.gz	FEYJNLFWNOWXFG-HWKANZROSA-N	-1	0	262.305	3.797	20	30		CHEDRM
O=C(C=Cc1cccc(OC(F)F)c1)c1sccc1[O-]	ZINC000773148019	1131963469	/nfs/dbraw/zinc/96/34/69/1131963469.db2.gz	GIEIJGLFOLPODD-PLNGDYQASA-N	-1	0	296.294	3.951	20	30		CHEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1C	ZINC000773151185	1131964777	/nfs/dbraw/zinc/96/47/77/1131964777.db2.gz	VYXRMJUGPNPVGK-HWKANZROSA-N	-1	0	274.341	3.667	20	30		CHEDRM
N#Cc1ccc2[nH]c(C(=O)Nc3ccccc3[S-])cc2c1	ZINC001156457900	1132697509	/nfs/dbraw/zinc/69/75/09/1132697509.db2.gz	YOTDCKNGQGOXSE-UHFFFAOYSA-N	-1	0	293.351	3.581	20	30		CHEDRM
N#Cc1ccc([O-])c(Nc2ccc(Cl)c(C#N)c2)c1	ZINC001174403075	1132816920	/nfs/dbraw/zinc/81/69/20/1132816920.db2.gz	HGVPNFYLXYGTQS-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
N#Cc1cc(Nc2ccnc(C(F)(F)F)c2)c([O-])cc1F	ZINC001174362581	1132820108	/nfs/dbraw/zinc/82/01/08/1132820108.db2.gz	SOSPIIBJPFRNDY-UHFFFAOYSA-N	-1	0	297.211	3.560	20	30		CHEDRM
N#Cc1cc(Nc2cccc(-c3cc[nH]n3)c2)c([O-])cc1F	ZINC001174509578	1132906287	/nfs/dbraw/zinc/90/62/87/1132906287.db2.gz	UOSUUNBJSLDJEQ-UHFFFAOYSA-N	-1	0	294.289	3.537	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001161075371	1132992926	/nfs/dbraw/zinc/99/29/26/1132992926.db2.gz	ZKQZLIRLVNMTNA-SECBINFHSA-N	-1	0	285.746	3.659	20	30		CHEDRM
[O-]/N=C/c1cccc(-c2c(F)cc(F)c(F)c2F)c1	ZINC001205186334	1133543579	/nfs/dbraw/zinc/54/35/79/1133543579.db2.gz	UBFSAZJLILNEQB-NGYBGAFCSA-N	-1	0	269.197	3.718	20	30		CHEDRM
N#CCc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1F	ZINC001206032021	1133645214	/nfs/dbraw/zinc/64/52/14/1133645214.db2.gz	XFQUZMNFNVZGFC-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001206045661	1133648132	/nfs/dbraw/zinc/64/81/32/1133648132.db2.gz	XFCIMECMZDPINC-VIFPVBQESA-N	-1	0	287.265	3.957	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889372	1134095383	/nfs/dbraw/zinc/09/53/83/1134095383.db2.gz	LLWWYLMKABGAFK-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889053	1134096172	/nfs/dbraw/zinc/09/61/72/1134096172.db2.gz	KTUOXEVYXTUGLC-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
COc1cc(Cl)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001209907583	1134100280	/nfs/dbraw/zinc/10/02/80/1134100280.db2.gz	JHJUUCFAFBNRNP-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)cc1C#N	ZINC001210007872	1134121335	/nfs/dbraw/zinc/12/13/35/1134121335.db2.gz	JXZLTIOSFLQBPK-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1cccc(CC(=O)[O-])c1	ZINC001210068654	1134140710	/nfs/dbraw/zinc/14/07/10/1134140710.db2.gz	BXQAKHSHZVWRNT-UHFFFAOYSA-N	-1	0	292.294	3.675	20	30		CHEDRM
N#Cc1cncc(Nc2ccc(Cl)cc2[S-])c1	ZINC001210089684	1134143941	/nfs/dbraw/zinc/14/39/41/1134143941.db2.gz	SBFLRZQKPWIPMX-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210242161	1134176519	/nfs/dbraw/zinc/17/65/19/1134176519.db2.gz	DJUMVXWBBKCFRM-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1ccc(C)c(Nc2cccc(C(=O)[O-])c2F)c1C#N	ZINC001210244791	1134176843	/nfs/dbraw/zinc/17/68/43/1134176843.db2.gz	IANRSSBMUYCJAV-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1Nc1c(C)cc(C#N)cc1C	ZINC001210257897	1134180107	/nfs/dbraw/zinc/18/01/07/1134180107.db2.gz	HEZRRVNRZDEXIH-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210399253	1134208846	/nfs/dbraw/zinc/20/88/46/1134208846.db2.gz	TYYAKPGAAHSNSI-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
N#Cc1cc(Nc2ccc3[n-]c(=S)sc3c2)ccc1O	ZINC001210533132	1134241372	/nfs/dbraw/zinc/24/13/72/1134241372.db2.gz	WEZACIODICYOJE-UHFFFAOYSA-N	-1	0	299.380	3.906	20	30		CHEDRM
N#Cc1cc(Nc2cccc(Cl)c2[O-])cc([N+](=O)[O-])c1	ZINC001211327189	1134408876	/nfs/dbraw/zinc/40/88/76/1134408876.db2.gz	ATGSYCNGPPTDIQ-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2cc(F)c([O-])cc2F)c1	ZINC001211360351	1134412741	/nfs/dbraw/zinc/41/27/41/1134412741.db2.gz	RREQDVPHTPWJCH-UHFFFAOYSA-N	-1	0	270.238	3.690	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccccc1N1CCCC1	ZINC001213604208	1134467328	/nfs/dbraw/zinc/46/73/28/1134467328.db2.gz	PTLLAMKFYHTCMO-UHFFFAOYSA-N	-1	0	285.372	3.669	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214486310	1134543841	/nfs/dbraw/zinc/54/38/41/1134543841.db2.gz	ALQPPFBTYSZHGX-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(C#N)c1	ZINC001214494540	1134545105	/nfs/dbraw/zinc/54/51/05/1134545105.db2.gz	UCXCKPCAVMZRJT-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
CC(C)n1ncc(C#N)c1Nc1c(Cl)ccc([O-])c1F	ZINC001214558138	1134550568	/nfs/dbraw/zinc/55/05/68/1134550568.db2.gz	PMRJLFPHXZWKAM-UHFFFAOYSA-N	-1	0	294.717	3.577	20	30		CHEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(Cl)c([O-])c1F	ZINC001214797724	1134573556	/nfs/dbraw/zinc/57/35/56/1134573556.db2.gz	DZBMMMXKCJBXJN-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
Cc1coc(Nc2ccc(Cl)c([O-])c2F)c1C#N	ZINC001214797843	1134574183	/nfs/dbraw/zinc/57/41/83/1134574183.db2.gz	GSNYUCODPQQYFA-UHFFFAOYSA-N	-1	0	266.659	3.701	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215274154	1134613947	/nfs/dbraw/zinc/61/39/47/1134613947.db2.gz	KFKGJWDWFOEEMM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
COc1cccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1C#N	ZINC001216312984	1134846512	/nfs/dbraw/zinc/84/65/12/1134846512.db2.gz	WEJDQIUMXGBZPV-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1cc(Nc2ccc(CC#N)cc2)cc(C)c1C(=O)[O-]	ZINC001216311581	1134846562	/nfs/dbraw/zinc/84/65/62/1134846562.db2.gz	OGXQYBPRLORXPZ-UHFFFAOYSA-N	-1	0	280.327	3.811	20	30		CHEDRM
CCn1ncc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc21	ZINC001216592253	1134927777	/nfs/dbraw/zinc/92/77/77/1134927777.db2.gz	ILAOAHXTUYKLHI-UHFFFAOYSA-N	-1	0	296.305	3.516	20	30		CHEDRM
Cc1cccc(Nc2cccc(C(=O)[O-])c2C)c1C#N	ZINC001216660308	1134939882	/nfs/dbraw/zinc/93/98/82/1134939882.db2.gz	JGDZCVFBMXLWLZ-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1c(Nc2ccc(CC#N)cc2)cccc1C(=O)[O-]	ZINC001216660393	1134940788	/nfs/dbraw/zinc/94/07/88/1134940788.db2.gz	KKRYXAPQJTZGBJ-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1cc(Nc2cccc(C(=O)[O-])c2C)ccc1C#N	ZINC001216661490	1134941158	/nfs/dbraw/zinc/94/11/58/1134941158.db2.gz	KELPKUXKUNVDOX-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1c(Nc2cccc(CC#N)c2)cccc1C(=O)[O-]	ZINC001216661870	1134941715	/nfs/dbraw/zinc/94/17/15/1134941715.db2.gz	SFVNSKZLRPHKMI-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1ccc(C)c(Nc2cc(CC(=O)[O-])ccc2F)c1C#N	ZINC001216685750	1134945002	/nfs/dbraw/zinc/94/50/02/1134945002.db2.gz	VNMKPFLIPSNONF-UHFFFAOYSA-N	-1	0	298.317	3.685	20	30		CHEDRM
N#Cc1cc(-c2nc(-c3cccc(Cl)c3)no2)ccc1[O-]	ZINC001216969855	1134955886	/nfs/dbraw/zinc/95/58/86/1134955886.db2.gz	SLCPAGPPBMLIIH-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
Cc1cc(-c2c(F)cc(C(=O)[O-])cc2F)cc(C)c1C#N	ZINC001222402995	1135236755	/nfs/dbraw/zinc/23/67/55/1135236755.db2.gz	IVKQMLOILFARST-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
N#CCc1cc(-c2c(F)cc(C(=O)[O-])cc2F)ccc1F	ZINC001222408156	1135237626	/nfs/dbraw/zinc/23/76/26/1135237626.db2.gz	RKLISDDGJUFRNT-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1c(F)ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1F	ZINC001222694664	1135264559	/nfs/dbraw/zinc/26/45/59/1135264559.db2.gz	WLIDNIMDZZUACU-UHFFFAOYSA-N	-1	0	299.276	3.620	20	30		CHEDRM
[O-]/N=C(\O[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1	ZINC001223593023	1135363668	/nfs/dbraw/zinc/36/36/68/1135363668.db2.gz	GTJPCTZZZGFIJG-WSJCWXPMSA-N	-1	0	275.682	3.680	20	30		CHEDRM
[O-]/N=C(\O[C@H]1CC(F)(F)C1(F)F)c1ccc(Cl)cc1	ZINC001223592834	1135364007	/nfs/dbraw/zinc/36/40/07/1135364007.db2.gz	FWJIQWCDPHRCFD-KNZYWQTRSA-N	-1	0	297.635	3.535	20	30		CHEDRM
N#C[C@@H](Oc1ccc([S-])cc1)c1cccc(F)c1	ZINC001225557217	1135586667	/nfs/dbraw/zinc/58/66/67/1135586667.db2.gz	COZGJAHKCCCIQD-CQSZACIVSA-N	-1	0	259.305	3.758	20	30		CHEDRM
C[C@H](Oc1ccc([S-])cc1)c1ccccc1C#N	ZINC001225558477	1135586826	/nfs/dbraw/zinc/58/68/26/1135586826.db2.gz	OVBXCZPBOCDRRI-NSHDSACASA-N	-1	0	255.342	3.987	20	30		CHEDRM
C=C[C@@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1	ZINC001225977093	1135647499	/nfs/dbraw/zinc/64/74/99/1135647499.db2.gz	FSINCMYFDDYGBH-SNVBAGLBSA-N	-1	0	296.248	3.507	20	30		CHEDRM
CCC[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226222661	1135673905	/nfs/dbraw/zinc/67/39/05/1135673905.db2.gz	GFCKNEUCMNEOFP-HNNXBMFYSA-N	-1	0	282.343	3.888	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCSC1	ZINC000266302357	262915841	/nfs/dbraw/zinc/91/58/41/262915841.db2.gz	BVTGULCDANPQDN-QFKBZZQOSA-N	-1	0	276.188	3.623	20	30		CHEDRM
CC1(C)CCCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330774678	264034693	/nfs/dbraw/zinc/03/46/93/264034693.db2.gz	GVPOIPDZHPTCEH-ZDUSSCGKSA-N	-1	0	292.335	3.574	20	30		CHEDRM
CC(C)(C)CC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000331184717	264156095	/nfs/dbraw/zinc/15/60/95/264156095.db2.gz	IOBXTPAYWAXDMF-UHFFFAOYSA-N	-1	0	294.351	3.820	20	30		CHEDRM
C=CCC(C)(C)CNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000314656549	265173985	/nfs/dbraw/zinc/17/39/85/265173985.db2.gz	BDURQSHEIGTGFE-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
C=CCC[C@H](CCC)Nc1cccc(CC(=O)[O-])c1	ZINC000563393349	328061464	/nfs/dbraw/zinc/06/14/64/328061464.db2.gz	MWBRRZGBFWCRDO-AWEZNQCLSA-N	-1	0	261.365	3.861	20	30		CHEDRM
Cc1cc(C(C)(C)C(=O)[O-])ccc1-c1ccsc1C#N	ZINC000576597974	327036184	/nfs/dbraw/zinc/03/61/84/327036184.db2.gz	CXUJKRXUYFXJHO-UHFFFAOYSA-N	-1	0	285.368	3.957	20	30		CHEDRM
CC(/C=C\c1nc(C(=O)[O-])ccc1C#N)=C/c1ccccc1	ZINC000508603445	332843547	/nfs/dbraw/zinc/84/35/47/332843547.db2.gz	JDHLIAMVICUVEH-ICOAOPQBSA-N	-1	0	290.322	3.768	20	30		CHEDRM
C=CCC1(C(=O)Nc2cccc(Cl)c2[O-])CCC1	ZINC000189803491	329389182	/nfs/dbraw/zinc/38/91/82/329389182.db2.gz	HQNWVCDQECIEGD-UHFFFAOYSA-N	-1	0	265.740	3.731	20	30		CHEDRM
C=CCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC000238010106	329695426	/nfs/dbraw/zinc/69/54/26/329695426.db2.gz	BHLHOMZIJQKJAD-UHFFFAOYSA-N	-1	0	275.329	3.504	20	30		CHEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000435769644	330662498	/nfs/dbraw/zinc/66/24/98/330662498.db2.gz	ATDMPQUVWUBLEQ-GFCCVEGCSA-N	-1	0	299.355	3.530	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000079172726	334149228	/nfs/dbraw/zinc/14/92/28/334149228.db2.gz	BOVNRZUAXWAERQ-LLVKDONJSA-N	-1	0	288.372	3.966	20	30		CHEDRM
CC(C)c1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000736515081	600590299	/nfs/dbraw/zinc/59/02/99/600590299.db2.gz	FUPNJOSIMXVMTE-KRWDZBQOSA-N	-1	0	294.354	3.919	20	30		CHEDRM
C[C@@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827773263	600743110	/nfs/dbraw/zinc/74/31/10/600743110.db2.gz	FWOKABJJEUJYQY-GFCCVEGCSA-N	-1	0	295.342	3.846	20	30		CHEDRM
N#Cc1ccc(SCc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000739132428	600816174	/nfs/dbraw/zinc/81/61/74/600816174.db2.gz	QINURWPSGKUOGB-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
CC(C)C[C@@H](C/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736403811	600816512	/nfs/dbraw/zinc/81/65/12/600816512.db2.gz	KOKVTRMWCYPYOB-YRIIZNAFSA-N	-1	0	299.370	3.711	20	30		CHEDRM
CCCCCCCC(=O)N(CC)c1ncc(C(=O)[O-])s1	ZINC000736983573	601112589	/nfs/dbraw/zinc/11/25/89/601112589.db2.gz	OFBXSVZQCJSJBI-UHFFFAOYSA-N	-1	0	298.408	3.555	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2\CCc3cc(F)ccc3C2=O)cc1	ZINC000747439243	601293915	/nfs/dbraw/zinc/29/39/15/601293915.db2.gz	AVUHZXVNUYJLST-NTEUORMPSA-N	-1	0	296.297	3.736	20	30		CHEDRM
Cc1c2ccccc2oc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1	ZINC000832848560	601792133	/nfs/dbraw/zinc/79/21/33/601792133.db2.gz	GWCLPIPEZGIPPP-VOTSOKGWSA-N	-1	0	295.294	3.664	20	30		CHEDRM
N#Cc1c(F)cccc1NCCCCCCCC(=O)[O-]	ZINC000403154714	601861475	/nfs/dbraw/zinc/86/14/75/601861475.db2.gz	OEUXXUBAUXEFNG-UHFFFAOYSA-N	-1	0	278.327	3.534	20	30		CHEDRM
N#Cc1ccc(SCc2ccc(C(=O)[O-])s2)cc1	ZINC000833073574	601894198	/nfs/dbraw/zinc/89/41/98/601894198.db2.gz	DVWZZABRXBTDAO-UHFFFAOYSA-N	-1	0	275.354	3.610	20	30		CHEDRM
C=CCC(CC=C)c1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000825664769	602103375	/nfs/dbraw/zinc/10/33/75/602103375.db2.gz	KNDAZXNCYMPBBB-UHFFFAOYSA-N	-1	0	284.315	3.671	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000825659829	602119882	/nfs/dbraw/zinc/11/98/82/602119882.db2.gz	HJQVXRVBLWTGRK-UHFFFAOYSA-N	-1	0	288.347	3.508	20	30		CHEDRM
C=CCC(CC=C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000825665124	602183203	/nfs/dbraw/zinc/18/32/03/602183203.db2.gz	VDVIKINYMMDZIA-UHFFFAOYSA-N	-1	0	294.734	3.712	20	30		CHEDRM
Cc1sc(C(=O)[O-])cc1CSc1cccc(C#N)c1	ZINC000833031841	602290082	/nfs/dbraw/zinc/29/00/82/602290082.db2.gz	SQKFZXWKJFAOLX-UHFFFAOYSA-N	-1	0	289.381	3.919	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccc3c2N(C(=O)[O-])CC3)o1	ZINC000830176369	603811880	/nfs/dbraw/zinc/81/18/80/603811880.db2.gz	OQZBQQPLILHHJJ-VOTSOKGWSA-N	-1	0	297.310	3.525	20	30		CHEDRM
Cc1ccc(F)c(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000832935990	604628105	/nfs/dbraw/zinc/62/81/05/604628105.db2.gz	VRSGFZXBWHTQFR-VQHVLOKHSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(C)CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763368957	604668508	/nfs/dbraw/zinc/66/85/08/604668508.db2.gz	RCMQOPFKORPRAG-UHFFFAOYSA-N	-1	0	297.358	3.642	20	30		CHEDRM
CC(C)CC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367486	604670167	/nfs/dbraw/zinc/67/01/67/604670167.db2.gz	AIZMITVBZNWQRR-LBPRGKRZSA-N	-1	0	289.379	3.784	20	30		CHEDRM
C=C(CC)CSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000833370745	605005014	/nfs/dbraw/zinc/00/50/14/605005014.db2.gz	QSHIDNYABRDKLW-UHFFFAOYSA-N	-1	0	263.318	3.584	20	30		CHEDRM
C[C@@H]1C/C(=C/c2ccoc2C(=O)[O-])C(=O)c2ccccc21	ZINC000833587364	605052249	/nfs/dbraw/zinc/05/22/49/605052249.db2.gz	KMCITDYVKAUEKJ-WJEYQPDNSA-N	-1	0	282.295	3.751	20	30		CHEDRM
O=C([O-])c1ccccc1N=NCCCCOc1ccccc1	ZINC000755600044	605099858	/nfs/dbraw/zinc/09/98/58/605099858.db2.gz	FCPKXPDPJOZZRI-UHFFFAOYSA-N	-1	0	298.342	3.642	20	30		CHEDRM
C=C(C)CSCc1coc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000833369723	605157532	/nfs/dbraw/zinc/15/75/32/605157532.db2.gz	CHLSRGBZZMYQMP-UHFFFAOYSA-N	-1	0	289.356	3.849	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)C1CCCCCC1	ZINC000783862903	605329080	/nfs/dbraw/zinc/32/90/80/605329080.db2.gz	NVKNVISELGMEAZ-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
CCCCCCC[C@H](C)CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001589645356	949724604	/nfs/dbraw/zinc/72/46/04/949724604.db2.gz	YJDWPINFYAMKEM-SUMWQHHRSA-N	-1	0	297.439	3.600	20	30		CHEDRM
N#Cc1cccc(CSCc2cccc(C(=O)[O-])c2)c1	ZINC000058241062	957557419	/nfs/dbraw/zinc/55/74/19/957557419.db2.gz	DUWCYEYMCGKIKS-UHFFFAOYSA-N	-1	0	283.352	3.690	20	30		CHEDRM
C[C@@H]1CCC[C@@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000729641823	1125480603	/nfs/dbraw/zinc/48/06/03/1125480603.db2.gz	YTQZSEDSSYUMPQ-GHFCPETNSA-N	-1	0	282.727	3.561	20	30		CHEDRM
C=C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1	ZINC001573348446	962958802	/nfs/dbraw/zinc/95/88/02/962958802.db2.gz	XCPFUAQEMCRIQF-HNNXBMFYSA-N	-1	0	297.310	3.861	20	30		CHEDRM
C=CC1(CC(=O)Nc2cccc(C(=O)[O-])c2)CCCCC1	ZINC001573351539	962979782	/nfs/dbraw/zinc/97/97/82/962979782.db2.gz	VQIHTVPWDNUSKZ-UHFFFAOYSA-N	-1	0	287.359	3.850	20	30		CHEDRM
CC(C)[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000747735755	978686867	/nfs/dbraw/zinc/68/68/67/978686867.db2.gz	KCUZEFVEZXUTIO-CYBMUJFWSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000763368021	978720625	/nfs/dbraw/zinc/72/06/25/978720625.db2.gz	IRDNIBHBORYIOS-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)s1	ZINC000774122049	978746364	/nfs/dbraw/zinc/74/63/64/978746364.db2.gz	XBJCGLGLYKYCRT-SREVYHEPSA-N	-1	0	272.325	3.651	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/Cc3c(cccc3Cl)C2=O)c1	ZINC000774126204	978746423	/nfs/dbraw/zinc/74/64/23/978746423.db2.gz	GPPZBWLVDLSMHN-WQLSENKSSA-N	-1	0	298.725	3.861	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2csc(Cl)c2)c1	ZINC000787186143	978795948	/nfs/dbraw/zinc/79/59/48/978795948.db2.gz	MBLLGPXZPUFULI-SNAWJCMRSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C[C@H]1C(N=Nc2ccccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814690969	978873318	/nfs/dbraw/zinc/87/33/18/978873318.db2.gz	HHKGXJATMOSLFU-NXEZZACHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
CC(N=Nc1cccc(C#N)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814787255	978884681	/nfs/dbraw/zinc/88/46/81/978884681.db2.gz	XRPVZRSTNFRSDR-GFCCVEGCSA-N	-1	0	287.363	3.627	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc3cnccc32)CC[C@@H]1CC(=O)[O-]	ZINC000814835854	978890497	/nfs/dbraw/zinc/89/04/97/978890497.db2.gz	DGWGZPPVDGIQCN-VXGBXAGGSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CCc1cccc(C)c1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814923296	978898574	/nfs/dbraw/zinc/89/85/74/978898574.db2.gz	ONSDONBSIDEGBW-JSGCOSHPSA-N	-1	0	288.391	3.846	20	30		CHEDRM
CC(N=Nc1cccc(Cl)n1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814939405	978899619	/nfs/dbraw/zinc/89/96/19/978899619.db2.gz	POZDNYXRWACROW-JTQLQIEISA-N	-1	0	297.786	3.804	20	30		CHEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)C1CCCCC1	ZINC000848414868	979468097	/nfs/dbraw/zinc/46/80/97/979468097.db2.gz	FIIKYQOJHNHJOR-UHFFFAOYSA-N	-1	0	274.364	3.682	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc(F)c(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000863179131	979659635	/nfs/dbraw/zinc/65/96/35/979659635.db2.gz	PNXHOIQYUIADHW-DTWKUNHWSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CC[C@H]1CCCC1N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001595435545	981065530	/nfs/dbraw/zinc/06/55/30/981065530.db2.gz	LCTVHMBNZXECTE-VIFPVBQESA-N	-1	0	264.300	3.502	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000908250526	981289638	/nfs/dbraw/zinc/28/96/38/981289638.db2.gz	TVEUVAZRKLTVTH-KBPBESRZSA-N	-1	0	287.359	3.549	20	30		CHEDRM
CCCC(CC)N=Nc1cccc(C(=O)[O-])c1F	ZINC001595585964	981527752	/nfs/dbraw/zinc/52/77/52/981527752.db2.gz	JZXCLNPBMTXMLL-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588529993	983583123	/nfs/dbraw/zinc/58/31/23/983583123.db2.gz	ONWXFVIRTMSXPD-UHFFFAOYSA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=C(C)CCC(=O)Oc1cccc2c(CC(=O)[O-])cccc12	ZINC001588559032	983639493	/nfs/dbraw/zinc/63/94/93/983639493.db2.gz	HJKPFLJXHDOMNK-UHFFFAOYSA-N	-1	0	298.338	3.729	20	30		CHEDRM
C=C(CC)CNc1cccc(C(=O)[O-])c1Br	ZINC001588607046	983699904	/nfs/dbraw/zinc/69/99/04/983699904.db2.gz	QFCLNCPXUNHQJC-UHFFFAOYSA-N	-1	0	284.153	3.525	20	30		CHEDRM
C=C(Cl)CSc1cc(Cl)ccc1C(=O)[O-]	ZINC001588643841	983767512	/nfs/dbraw/zinc/76/75/12/983767512.db2.gz	USYWXYVKBREQKF-UHFFFAOYSA-N	-1	0	263.145	3.883	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588691344	983879991	/nfs/dbraw/zinc/87/99/91/983879991.db2.gz	YNNLWADXYZVMTR-VIFPVBQESA-N	-1	0	281.739	3.579	20	30		CHEDRM
C=C[C@@H](Nc1cccc(COc2ccccc2)c1C)C(=O)[O-]	ZINC001588702215	983919192	/nfs/dbraw/zinc/91/91/92/983919192.db2.gz	MVMFFMCFHWENRP-MRXNPFEDSA-N	-1	0	297.354	3.625	20	30		CHEDRM
C=C[C@H](S[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001588715353	983954917	/nfs/dbraw/zinc/95/49/17/983954917.db2.gz	WNPSAFDDIXKKQK-KWQFWETISA-N	-1	0	256.754	3.773	20	30		CHEDRM
C=C[C@@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001588715354	983954996	/nfs/dbraw/zinc/95/49/96/983954996.db2.gz	WNPSAFDDIXKKQK-LDYMZIIASA-N	-1	0	256.754	3.773	20	30		CHEDRM
C=CC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001588720983	983970717	/nfs/dbraw/zinc/97/07/17/983970717.db2.gz	KIEXSUPNGPIIOE-INIZCTEOSA-N	-1	0	295.338	3.683	20	30		CHEDRM
C=CC[C@H]1CC[C@@H](Nc2cc(C)cc(C(=O)[O-])c2)C1	ZINC001588770998	984136964	/nfs/dbraw/zinc/13/69/64/984136964.db2.gz	LEIJYCAPSNMCEL-GXTWGEPZSA-N	-1	0	259.349	3.850	20	30		CHEDRM
CC(C)C1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC001591067987	991520190	/nfs/dbraw/zinc/52/01/90/991520190.db2.gz	PRTVTKHYFPANJG-UHFFFAOYSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC001593842567	996604165	/nfs/dbraw/zinc/60/41/65/996604165.db2.gz	PSLVPANDZSTERM-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
CC1(C)CCCC[C@@H]1NN=C1CCC(CC(=O)[O-])CC1	ZINC001593903740	996776429	/nfs/dbraw/zinc/77/64/29/996776429.db2.gz	KMHLDHPTMGUQAA-PYMCNQPYSA-N	-1	0	280.412	3.566	20	30		CHEDRM
N#Cc1sccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175315243	1121279025	/nfs/dbraw/zinc/27/90/25/1121279025.db2.gz	BDBHFLWLSDKBRK-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2csc(C(=O)[O-])c2)c1	ZINC001176439155	1121622684	/nfs/dbraw/zinc/62/26/84/1121622684.db2.gz	NATDCKOTPYDNHH-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CCCCCCCCCCC(=O)Nc1c(C)[nH][nH]c1=O	ZINC000854635710	1123490638	/nfs/dbraw/zinc/49/06/38/1123490638.db2.gz	VQPJDCMHYLYIPC-UHFFFAOYSA-N	-1	0	281.400	3.893	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1ccsc1C(=O)[O-]	ZINC001215395574	1134623615	/nfs/dbraw/zinc/62/36/15/1134623615.db2.gz	MPYNPTFAOXZZGT-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
C#C[C@H](CCCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885655	1135634367	/nfs/dbraw/zinc/63/43/67/1135634367.db2.gz	NQASYPHUQXXRTB-SSDOTTSWSA-N	-1	0	276.229	3.519	20	30		CHEDRM
CCCC[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226065366	1135658830	/nfs/dbraw/zinc/65/88/30/1135658830.db2.gz	TWRNNIDNSZSEHK-QMMMGPOBSA-N	-1	0	288.269	3.635	20	30		CHEDRM
COc1cccc(/C=C\C(=O)c2cc(C)ccc2O)c1	ZINC000215751501	1125576960	/nfs/dbraw/zinc/57/69/60/1125576960.db2.gz	HJZNYGCOSCTBIO-CLFYSBASSA-N	-1	0	268.312	3.605	20	30		CHEDRM
N#Cc1cc(Nc2cccc(OC(F)F)c2)c([O-])cc1F	ZINC001212064939	1125677301	/nfs/dbraw/zinc/67/73/01/1125677301.db2.gz	LVLMHQKGVSCNHY-UHFFFAOYSA-N	-1	0	294.232	3.748	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000907553639	1126980628	/nfs/dbraw/zinc/98/06/28/1126980628.db2.gz	GVGYUEVLWUIGMP-VIFPVBQESA-N	-1	0	281.739	3.579	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H]1CCCC1(C)C	ZINC000814917733	1130942695	/nfs/dbraw/zinc/94/26/95/1130942695.db2.gz	PULCMERZXBNUNQ-AWEZNQCLSA-N	-1	0	282.428	3.956	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H]1CCCCC1(C)C	ZINC000814917744	1130943041	/nfs/dbraw/zinc/94/30/41/1130943041.db2.gz	QBZSGPQGAKYJEX-ZDUSSCGKSA-N	-1	0	280.412	3.566	20	30		CHEDRM
CC(=Cc1cccc(C(C)C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000596012228	1127481646	/nfs/dbraw/zinc/48/16/46/1127481646.db2.gz	RQFJEHHTQSMHOS-WQLSENKSSA-N	-1	0	293.370	3.634	20	30		CHEDRM
CC(C)(C)c1[n-]n(CCCC2CCC2)c(=O)c1CCC#N	ZINC000596260276	1127488422	/nfs/dbraw/zinc/48/84/22/1127488422.db2.gz	HPPFJFRKFFKMIB-UHFFFAOYSA-N	-1	0	289.423	3.923	20	30		CHEDRM
Cc1[n-]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1CCC#N	ZINC000601934046	1127553707	/nfs/dbraw/zinc/55/37/07/1127553707.db2.gz	IZEJMVIVEMHGLY-HNNXBMFYSA-N	-1	0	283.375	3.627	20	30		CHEDRM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nccc2ccccc21	ZINC000361527124	1127570129	/nfs/dbraw/zinc/57/01/29/1127570129.db2.gz	QRKJVDWFBCBHNU-KRWDZBQOSA-N	-1	0	297.317	3.597	20	30		CHEDRM
CCCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)s1	ZINC000598698203	1127633009	/nfs/dbraw/zinc/63/30/09/1127633009.db2.gz	QAAVFMHSCIJGNI-NTMALXAHSA-N	-1	0	299.399	3.525	20	30		CHEDRM
Cc1cc(C)cc(C(C)N=Nc2ccc(C(=O)[O-])cc2)c1	ZINC000730430588	1128133426	/nfs/dbraw/zinc/13/34/26/1128133426.db2.gz	ROAYMSFREPMYSX-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C(F)F)cc2C)n1	ZINC000626283479	1128170057	/nfs/dbraw/zinc/17/00/57/1128170057.db2.gz	XYYJWXKDNGLPOE-MRVPVSSYSA-N	-1	0	296.298	3.781	20	30		CHEDRM
CC(C)Oc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000915935750	1128397369	/nfs/dbraw/zinc/39/73/69/1128397369.db2.gz	IDXORHAMBPEAHG-UHFFFAOYSA-N	-1	0	298.342	3.618	20	30		CHEDRM
Cc1ccc2c(c1)CC[C@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920177942	1128670665	/nfs/dbraw/zinc/67/06/65/1128670665.db2.gz	MLDVKUPLXHVCLC-LTKMBJGESA-N	-1	0	296.326	3.715	20	30		CHEDRM
C[C@H](CCc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920942974	1128695703	/nfs/dbraw/zinc/69/57/03/1128695703.db2.gz	WFBQPYSKLGBAAL-FDIDITGRSA-N	-1	0	298.342	3.741	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCCc3ccccc32)c1	ZINC000920943082	1128695716	/nfs/dbraw/zinc/69/57/16/1128695716.db2.gz	MOZDRIVQEHYPIS-GYXHFJGISA-N	-1	0	296.326	3.797	20	30		CHEDRM
Cc1cc(C)cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000921268932	1128706150	/nfs/dbraw/zinc/70/61/50/1128706150.db2.gz	GDEWXAVJKXMIID-YVMONPNESA-N	-1	0	294.350	3.827	20	30		CHEDRM
CCc1nc2ccccc2n1N=Cc1ccc(O)c(Cl)c1	ZINC000921257483	1128704255	/nfs/dbraw/zinc/70/42/55/1128704255.db2.gz	CPDJDBRHLYTTGG-UHFFFAOYSA-N	-1	0	299.761	3.840	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c1	ZINC000254953979	1117914586	/nfs/dbraw/zinc/91/45/86/1117914586.db2.gz	ROUZURDQWYWOLV-HYXAFXHYSA-N	-1	0	289.312	3.566	20	30		CHEDRM
CC(C)(C#N)c1ccc(NC(=O)c2ccc(O)cc2F)cc1	ZINC000181114696	1117994186	/nfs/dbraw/zinc/99/41/86/1117994186.db2.gz	XRGBVMQYXYIISE-UHFFFAOYSA-N	-1	0	298.317	3.585	20	30		CHEDRM
CCC[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179739912	1128756947	/nfs/dbraw/zinc/75/69/47/1128756947.db2.gz	TUMVQRNLYOWKJV-OAHLLOKOSA-N	-1	0	294.354	3.786	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1ccc(F)cc1O	ZINC001210016434	1118132623	/nfs/dbraw/zinc/13/26/23/1118132623.db2.gz	GQCBLXFCHMLRFY-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
C=CCCCN(CC)C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000890812758	1118144437	/nfs/dbraw/zinc/14/44/37/1118144437.db2.gz	PLENDGQHOULOGY-UHFFFAOYSA-N	-1	0	290.388	3.545	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1	ZINC000671752184	1118342277	/nfs/dbraw/zinc/34/22/77/1118342277.db2.gz	HAWQOGVLTQXFLS-LLVKDONJSA-N	-1	0	282.324	3.688	20	30		CHEDRM
CO[C@H](c1ccccc1)C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000782177022	1118426847	/nfs/dbraw/zinc/42/68/47/1118426847.db2.gz	LPKRBBBERGQLHF-INIZCTEOSA-N	-1	0	298.342	3.560	20	30		CHEDRM
CC(C)(C)n1ncc(C#N)c1Nc1cccc([S-])c1	ZINC001210945764	1118428743	/nfs/dbraw/zinc/42/87/43/1118428743.db2.gz	UJKMVUFEJGNVGF-UHFFFAOYSA-N	-1	0	272.377	3.542	20	30		CHEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430594117	1118583706	/nfs/dbraw/zinc/58/37/06/1118583706.db2.gz	JUJWUFOBBZEIOG-SNVBAGLBSA-N	-1	0	287.388	3.567	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000255342604	1118653747	/nfs/dbraw/zinc/65/37/47/1118653747.db2.gz	MKIWMNULJORHHY-SREVYHEPSA-N	-1	0	274.266	3.875	20	30		CHEDRM
CC1(C)CCC/C(=C\c2cc(F)c([O-])c(F)c2)C1=O	ZINC000255358311	1118670586	/nfs/dbraw/zinc/67/05/86/1118670586.db2.gz	SOXIMWLDQYBFDQ-UXBLZVDNSA-N	-1	0	266.287	3.833	20	30		CHEDRM
O=C(/C=C\c1cc(F)c(F)cc1F)c1ccc([O-])c(F)c1	ZINC000255425837	1118910498	/nfs/dbraw/zinc/91/04/98/1118910498.db2.gz	POPYEIVDCSDNPE-IWQZZHSRSA-N	-1	0	296.219	3.845	20	30		CHEDRM
O=C(/C=C\c1cccc(O)c1)c1ccc([O-])c(Cl)c1	ZINC000588480329	1118910585	/nfs/dbraw/zinc/91/05/85/1118910585.db2.gz	FBSKYPGTWVORLC-XQRVVYSFSA-N	-1	0	274.703	3.647	20	30		CHEDRM
O=c1ccc2cc(N=Cc3cc(Cl)ccc3O)ccc2[nH]1	ZINC000728438082	1118945457	/nfs/dbraw/zinc/94/54/57/1118945457.db2.gz	OIKHJEGWHQCMPD-UHFFFAOYSA-N	-1	0	298.729	3.638	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1	ZINC000342378117	1118996007	/nfs/dbraw/zinc/99/60/07/1118996007.db2.gz	XYODAQAIDYKHEC-LBPRGKRZSA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)s1	ZINC000255493824	1119026227	/nfs/dbraw/zinc/02/62/27/1119026227.db2.gz	GYJUMQPFGVLHHL-ALCCZGGFSA-N	-1	0	262.305	3.797	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3ncsc3c2)c1	ZINC000255540070	1119196192	/nfs/dbraw/zinc/19/61/92/1119196192.db2.gz	DIRSYICJWRSKTJ-UHFFFAOYSA-N	-1	0	299.311	3.661	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000685020244	1119202447	/nfs/dbraw/zinc/20/24/47/1119202447.db2.gz	VWVRMNBERAUDSX-SECBINFHSA-N	-1	0	281.739	3.579	20	30		CHEDRM
Cc1ccc(Nc2c(C)cc(C#N)cc2C)cc1C(=O)[O-]	ZINC001211604101	1119441402	/nfs/dbraw/zinc/44/14/02/1119441402.db2.gz	OOSALRSFBRAMBC-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
O=C(C=Cc1ccc(-n2cccn2)cc1)c1sccc1[O-]	ZINC000588598943	1119529259	/nfs/dbraw/zinc/52/92/59/1119529259.db2.gz	LAAFECBWMVSTJT-DAXSKMNVSA-N	-1	0	296.351	3.536	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)cc(F)c1C#N	ZINC001211626582	1119635120	/nfs/dbraw/zinc/63/51/20/1119635120.db2.gz	MPSAWJPPZYFEBZ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000177742247	1119851112	/nfs/dbraw/zinc/85/11/12/1119851112.db2.gz	HOIZJSZGSYHWQA-BTDICHCPSA-N	-1	0	286.356	3.749	20	30		CHEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCCC1	ZINC000077879502	1128879850	/nfs/dbraw/zinc/87/98/50/1128879850.db2.gz	FCFBFHXNMMGWOR-LBPRGKRZSA-N	-1	0	295.404	3.614	20	30		CHEDRM
O=C([O-])c1csc(/C=C2\CCc3ccccc3C2=O)c1	ZINC000765824030	1120108822	/nfs/dbraw/zinc/10/88/22/1120108822.db2.gz	IPOZODVZUYRUMK-YRNVUSSQSA-N	-1	0	284.336	3.659	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccc(Cl)cc2)c1	ZINC000765822996	1120108932	/nfs/dbraw/zinc/10/89/32/1120108932.db2.gz	CPYQMPMHFFZHBY-WAYWQWQTSA-N	-1	0	292.743	3.996	20	30		CHEDRM
CCOc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1	ZINC000765826899	1120112571	/nfs/dbraw/zinc/11/25/71/1120112571.db2.gz	VMGNFDZRSDNBJG-WDZFZDKYSA-N	-1	0	296.322	3.680	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccc(F)c(F)c2)c1	ZINC000765826748	1120113091	/nfs/dbraw/zinc/11/30/91/1120113091.db2.gz	SNCAZVQINGUTRT-DUXPYHPUSA-N	-1	0	294.278	3.621	20	30		CHEDRM
Cc1cc(Nc2ccc(C(C)(C)C#N)nc2)ccc1C(=O)[O-]	ZINC001211650232	1120188346	/nfs/dbraw/zinc/18/83/46/1120188346.db2.gz	WFGBDIKNOSIDDV-UHFFFAOYSA-N	-1	0	295.342	3.633	20	30		CHEDRM
Cc1oc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000041541149	1120283060	/nfs/dbraw/zinc/28/30/60/1120283060.db2.gz	BOZZPVQYQBACIB-GFCCVEGCSA-N	-1	0	294.310	3.836	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2cc(F)c([O-])c(Cl)c2)c1	ZINC001214488297	1120303094	/nfs/dbraw/zinc/30/30/94/1120303094.db2.gz	AXAMEYUCZSMVLQ-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)cc1	ZINC000070029211	1128931656	/nfs/dbraw/zinc/93/16/56/1128931656.db2.gz	PWCXPTGWGTUKAR-ZDUSSCGKSA-N	-1	0	297.420	3.713	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1F	ZINC001211663265	1120694835	/nfs/dbraw/zinc/69/48/35/1120694835.db2.gz	BBIAKIQASMQFSR-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1ccc(F)cc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000182288753	1128954140	/nfs/dbraw/zinc/95/41/40/1128954140.db2.gz	GTSMTXLGRVMCLG-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
C=CCN(C(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1	ZINC000647742044	1120994727	/nfs/dbraw/zinc/99/47/27/1120994727.db2.gz	YGWCOVXVQZAQKV-UHFFFAOYSA-N	-1	0	289.281	3.503	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212516464	1121019903	/nfs/dbraw/zinc/01/99/03/1121019903.db2.gz	AOBXORQHPWECSB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Nc2cncc(C(F)(F)F)c2)c([O-])cc1F	ZINC001174744870	1121033340	/nfs/dbraw/zinc/03/33/40/1121033340.db2.gz	GWROXYISVWQOHP-UHFFFAOYSA-N	-1	0	297.211	3.560	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])s2)cc1	ZINC001174810093	1121056862	/nfs/dbraw/zinc/05/68/62/1121056862.db2.gz	FSLYWVRMGWDTKF-VIFPVBQESA-N	-1	0	272.329	3.817	20	30		CHEDRM
N#Cc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1Cl	ZINC001174953902	1121109627	/nfs/dbraw/zinc/10/96/27/1121109627.db2.gz	SODRWCOGFIWSRF-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1Cl	ZINC001174981380	1121140000	/nfs/dbraw/zinc/14/00/00/1121140000.db2.gz	CGFDJHOWJMTSFD-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC001175318892	1121280605	/nfs/dbraw/zinc/28/06/05/1121280605.db2.gz	KEAHFSICXJRECF-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F	ZINC001175321019	1121282442	/nfs/dbraw/zinc/28/24/42/1121282442.db2.gz	NYROKJZWIYYXGQ-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175331151	1121286515	/nfs/dbraw/zinc/28/65/15/1121286515.db2.gz	IXQHHPLVXKAWFK-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#Cc1cc(Nc2ccc3ccncc3c2)c([O-])cc1F	ZINC001175708421	1121449593	/nfs/dbraw/zinc/44/95/93/1121449593.db2.gz	QCICTWGBBBMEMD-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
COc1cccc2[nH]c(Nc3scc([O-])c3C#N)cc21	ZINC001176062548	1121544581	/nfs/dbraw/zinc/54/45/81/1121544581.db2.gz	ZVVJSRKISRTINT-UHFFFAOYSA-N	-1	0	285.328	3.559	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2csc(C(=O)[O-])c2)cc1	ZINC001176439625	1121622785	/nfs/dbraw/zinc/62/27/85/1121622785.db2.gz	VRSHRGYODNFTSL-VIFPVBQESA-N	-1	0	272.329	3.817	20	30		CHEDRM
N#Cc1cc(Nc2cccc(OCC3CC3)c2)c([O-])cc1F	ZINC001176493167	1121638990	/nfs/dbraw/zinc/63/89/90/1121638990.db2.gz	HOKWZHJZRULRTR-UHFFFAOYSA-N	-1	0	298.317	3.935	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F	ZINC001176595725	1121650257	/nfs/dbraw/zinc/65/02/57/1121650257.db2.gz	UNYWGKBCNQNEAW-FPYGCLRLSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#CCc1ccccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595578	1121650539	/nfs/dbraw/zinc/65/05/39/1121650539.db2.gz	MDZMWQMOZXHMMK-JXMROGBWSA-N	-1	0	278.311	3.594	20	30		CHEDRM
O=C(CCCC1CCCC1)[N-]S(=O)(=O)C1CCCC1	ZINC000086054602	1121670082	/nfs/dbraw/zinc/67/00/82/1121670082.db2.gz	CIRBJIDRHVRWRC-UHFFFAOYSA-N	-1	0	287.425	3.576	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176669411	1121671812	/nfs/dbraw/zinc/67/18/12/1121671812.db2.gz	IAJULGZDZBVYFP-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
CC(C)(C)n1cc(C#N)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176710274	1121689586	/nfs/dbraw/zinc/68/95/86/1121689586.db2.gz	FISYLKNWEJTQQY-UHFFFAOYSA-N	-1	0	283.331	3.557	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001176712539	1121690445	/nfs/dbraw/zinc/69/04/45/1121690445.db2.gz	GIVBHNRQOFKUMH-UHFFFAOYSA-N	-1	0	280.327	3.930	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc(Cl)cc2)cs1	ZINC000730148986	1121794657	/nfs/dbraw/zinc/79/46/57/1121794657.db2.gz	RHZMGINKIXKNBF-UTCJRWHESA-N	-1	0	292.743	3.996	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(F)c2F)s1	ZINC000730730336	1121822784	/nfs/dbraw/zinc/82/27/84/1121822784.db2.gz	XKSCMABAZUJQNY-SNAWJCMRSA-N	-1	0	294.278	3.621	20	30		CHEDRM
CC[C@H](C)NC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953067	1121837842	/nfs/dbraw/zinc/83/78/42/1121837842.db2.gz	LYZQCIVDINGKIE-NSHDSACASA-N	-1	0	293.461	3.777	20	30		CHEDRM
C=CCNC(=S)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000731321671	1121860326	/nfs/dbraw/zinc/86/03/26/1121860326.db2.gz	QENZQHMZTPPUSH-NSHDSACASA-N	-1	0	291.445	3.553	20	30		CHEDRM
Cc1cc(C)cc([C@@H](C)NC(=O)CCC(=O)C2=CC=C[CH]2)c1	ZINC001184245825	1122264922	/nfs/dbraw/zinc/26/49/22/1122264922.db2.gz	CKMAJQVEYVPXID-OAHLLOKOSA-N	-1	0	296.390	3.530	20	30		CHEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2ccccc2c1O	ZINC000620314621	1129048990	/nfs/dbraw/zinc/04/89/90/1129048990.db2.gz	OBWNAVNMTKAYJV-GASCZTMLSA-N	-1	0	293.366	3.869	20	30		CHEDRM
N#Cc1ccccc1Nc1c(F)ccc([O-])c1Cl	ZINC001250233517	1122379741	/nfs/dbraw/zinc/37/97/41/1122379741.db2.gz	QBILXLGGXGEHTC-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
CCCCCCCCS(=O)(=O)[N-]c1cc(C)ns1	ZINC001187995012	1122450228	/nfs/dbraw/zinc/45/02/28/1122450228.db2.gz	YNJWVVZYGZXYOX-UHFFFAOYSA-N	-1	0	290.454	3.554	20	30		CHEDRM
CSc1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC001188109425	1122455043	/nfs/dbraw/zinc/45/50/43/1122455043.db2.gz	CLYZCUUQLWWXQZ-UHFFFAOYSA-N	-1	0	299.355	3.630	20	30		CHEDRM
CC(C)c1ccccc1C(=O)Nc1ccc(C#N)cc1O	ZINC001190265243	1122531396	/nfs/dbraw/zinc/53/13/96/1122531396.db2.gz	LWHZVNUJLQCAJI-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
C=CCCCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000436916300	1122594662	/nfs/dbraw/zinc/59/46/62/1122594662.db2.gz	VULSVPKRRWTFCZ-UHFFFAOYSA-N	-1	0	288.174	3.785	20	30		CHEDRM
CCCCCCCCCCCCNC(=O)[N-]C#N	ZINC001191860480	1122616753	/nfs/dbraw/zinc/61/67/53/1122616753.db2.gz	FNYYNNFTWMZFPP-UHFFFAOYSA-N	-1	0	253.390	3.688	20	30		CHEDRM
C=CC[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)C(C)C	ZINC001225884128	1122620810	/nfs/dbraw/zinc/62/08/10/1122620810.db2.gz	GMGBAHDVILECQJ-ZETCQYMHSA-N	-1	0	278.245	3.928	20	30		CHEDRM
CCCCCCCOC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001194008948	1122738160	/nfs/dbraw/zinc/73/81/60/1122738160.db2.gz	JPUYIGXJLJSQPS-UHFFFAOYSA-N	-1	0	279.336	3.904	20	30		CHEDRM
Cc1cc(-c2cccc(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001250584113	1122785162	/nfs/dbraw/zinc/78/51/62/1122785162.db2.gz	JMYXFBJIBNGJBU-UHFFFAOYSA-N	-1	0	251.285	3.540	20	30		CHEDRM
CCCCCCCCCCOC(=O)NCc1cc(=O)[n-]o1	ZINC001194928987	1122823582	/nfs/dbraw/zinc/82/35/82/1122823582.db2.gz	KFXCTCKEDWRCGP-UHFFFAOYSA-N	-1	0	298.383	3.747	20	30		CHEDRM
C=C[C@@H](C#CC(C)(C)C)OCc1ccc(C(=O)[O-])cc1	ZINC001205690834	1122859064	/nfs/dbraw/zinc/85/90/64/1122859064.db2.gz	QEBUDABWPVOCOY-HNNXBMFYSA-N	-1	0	272.344	3.506	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1	ZINC000430600748	1123016376	/nfs/dbraw/zinc/01/63/76/1123016376.db2.gz	YJAKQCOWJKYJFH-NSHDSACASA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430617826	1123043077	/nfs/dbraw/zinc/04/30/77/1123043077.db2.gz	PGOCTAFYPJMSLT-SNVBAGLBSA-N	-1	0	288.372	3.832	20	30		CHEDRM
N#Cc1ccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cc1	ZINC000439280389	1123426016	/nfs/dbraw/zinc/42/60/16/1123426016.db2.gz	ZHLRGGKONSGAAS-CMDGGOBGSA-N	-1	0	290.278	3.568	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN1CCCC[C@H]1C	ZINC000853381812	1123438031	/nfs/dbraw/zinc/43/80/31/1123438031.db2.gz	MIUMLRQXJBFANY-CQSZACIVSA-N	-1	0	268.401	3.662	20	30		CHEDRM
C=CCc1c(O)ccc(C(C)=O)c1O[C@H](C)C(F)(F)F	ZINC001227119975	1123558227	/nfs/dbraw/zinc/55/82/27/1123558227.db2.gz	CAFLTFGHHCMUBQ-SECBINFHSA-N	-1	0	288.265	3.653	20	30		CHEDRM
C[C@H]1C[C@H](C([O-])=Nc2cccc(-c3cnco3)c2)CC(=O)N1	ZINC000329433051	1123611105	/nfs/dbraw/zinc/61/11/05/1123611105.db2.gz	KZYIRWJMTPQSHP-JQWIXIFHSA-N	-1	0	299.330	3.685	20	30		CHEDRM
CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000084692131	1129154209	/nfs/dbraw/zinc/15/42/09/1129154209.db2.gz	SFWHIGGGIBGTMH-UHFFFAOYSA-N	-1	0	297.420	3.938	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C	ZINC000084694980	1129154307	/nfs/dbraw/zinc/15/43/07/1129154307.db2.gz	BBEDHEZJRWPANL-UHFFFAOYSA-N	-1	0	277.430	3.534	20	30		CHEDRM
CC(C)n1nccc1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000794941315	1124093936	/nfs/dbraw/zinc/09/39/36/1124093936.db2.gz	NTQUODDUKINDGY-XQRVVYSFSA-N	-1	0	290.750	3.719	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2c(F)ccc(O)c2F)c([O-])c1	ZINC000794941776	1124094507	/nfs/dbraw/zinc/09/45/07/1124094507.db2.gz	XNUDVWLWAVAQEC-XQRVVYSFSA-N	-1	0	290.265	3.581	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C1\Oc2ccccc2C1=O	ZINC000794941778	1124094749	/nfs/dbraw/zinc/09/47/49/1124094749.db2.gz	XPAHXQDOXQYDHR-SXGWCWSVSA-N	-1	0	294.306	3.618	20	30		CHEDRM
CCC(CCC(F)(F)F)N=Nc1ccc(C(=O)[O-])cc1	ZINC000872324305	1124704290	/nfs/dbraw/zinc/70/42/90/1124704290.db2.gz	PLYZSKLCVJKZDA-UHFFFAOYSA-N	-1	0	288.269	3.905	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCCC1)c1ncc(F)cc1F	ZINC001123381388	1131313273	/nfs/dbraw/zinc/31/32/73/1131313273.db2.gz	ICIHQHFHIZWIKC-FWWRYZNZSA-N	-1	0	290.313	3.673	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2C3CC4CC(C3)CC2C4)cc1	ZINC000007890650	1125275840	/nfs/dbraw/zinc/27/58/40/1125275840.db2.gz	NSADSASQCRECSV-UHFFFAOYSA-N	-1	0	284.359	3.609	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1	ZINC000131165476	1125375473	/nfs/dbraw/zinc/37/54/73/1125375473.db2.gz	JBBKLFWSKWSVLS-URWSZGRFSA-N	-1	0	297.383	3.551	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccccc2[O-])cnc1Cl	ZINC000760263471	1125430087	/nfs/dbraw/zinc/43/00/87/1125430087.db2.gz	HZQRBAFWUOPREA-VOTSOKGWSA-N	-1	0	273.719	3.645	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cnc1Cl	ZINC000760264637	1125431235	/nfs/dbraw/zinc/43/12/35/1125431235.db2.gz	KMWOYFYPPTWRDS-RQOWECAXSA-N	-1	0	291.709	3.784	20	30		CHEDRM
C=CCNC(=O)Nc1cc(Cl)c(CC)c(Cl)c1[O-]	ZINC001202571147	1125432731	/nfs/dbraw/zinc/43/27/31/1125432731.db2.gz	BPRBZEYMMZUHGB-UHFFFAOYSA-N	-1	0	289.162	3.569	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2ccc3c(c2)CCCC3)n1	ZINC000041518736	1125433402	/nfs/dbraw/zinc/43/34/02/1125433402.db2.gz	VESYOOIJKKKGPF-HNNXBMFYSA-N	-1	0	296.395	3.820	20	30		CHEDRM
C=CCOc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1	ZINC000041515993	1125433592	/nfs/dbraw/zinc/43/35/92/1125433592.db2.gz	SEBOUWORFVNJAX-AWEZNQCLSA-N	-1	0	298.367	3.506	20	30		CHEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C	ZINC000089964460	1129261997	/nfs/dbraw/zinc/26/19/97/1129261997.db2.gz	RPKHUMNZAUINGF-CLFYSBASSA-N	-1	0	295.404	3.532	20	30		CHEDRM
Cc1ccc(-c2nc(C(F)(F)F)ccc2C#N)c([O-])c1	ZINC001241027591	1129410236	/nfs/dbraw/zinc/41/02/36/1129410236.db2.gz	BQINQHFGLIQIIH-UHFFFAOYSA-N	-1	0	278.233	3.653	20	30		CHEDRM
N#CCCc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241246270	1129498322	/nfs/dbraw/zinc/49/83/22/1129498322.db2.gz	ZJYKDTPDUBRSSS-UHFFFAOYSA-N	-1	0	269.275	3.647	20	30		CHEDRM
CC[C@H](C)C[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000743041692	1129511380	/nfs/dbraw/zinc/51/13/80/1129511380.db2.gz	BZWAIPJRHFAIFJ-BVLLQVSASA-N	-1	0	264.325	3.544	20	30		CHEDRM
Cc1cc(C)c(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c(C)c1	ZINC000743445393	1129524216	/nfs/dbraw/zinc/52/42/16/1129524216.db2.gz	SCCDZTMKNFPNHM-UHFFFAOYSA-N	-1	0	299.330	3.672	20	30		CHEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2cc(F)ccc2s1	ZINC000744117921	1129553781	/nfs/dbraw/zinc/55/37/81/1129553781.db2.gz	FHCYRZJCAOZMHG-TZNOJPMFSA-N	-1	0	286.331	3.578	20	30		CHEDRM
CCc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1	ZINC000254405839	1129693118	/nfs/dbraw/zinc/69/31/18/1129693118.db2.gz	XVUJOZJSUZSDMH-UHFFFAOYSA-N	-1	0	282.343	3.783	20	30		CHEDRM
[O-]/N=C/c1cc(-c2cccnc2)cc(C(F)(F)F)c1	ZINC001239569844	1131391903	/nfs/dbraw/zinc/39/19/03/1131391903.db2.gz	ZJRIKLQFUDQBTD-CNHKJKLMSA-N	-1	0	266.222	3.576	20	30		CHEDRM
C=CCCc1ccccc1-c1ccc(C(=O)[O-])nc1	ZINC001242336523	1129780263	/nfs/dbraw/zinc/78/02/63/1129780263.db2.gz	RSHSXLIEIBPAPC-UHFFFAOYSA-N	-1	0	253.301	3.565	20	30		CHEDRM
O=C(/C=C/c1cc(F)c(F)cc1F)c1ccccc1[O-]	ZINC000767729137	1129810162	/nfs/dbraw/zinc/81/01/62/1129810162.db2.gz	LQEDLXFUEUSOHT-AATRIKPKSA-N	-1	0	278.229	3.706	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCC[C@@H](C)C1	ZINC000768367347	1129854362	/nfs/dbraw/zinc/85/43/62/1129854362.db2.gz	PEUCGDYWYLGDQM-NEPJUHHUSA-N	-1	0	290.363	3.617	20	30		CHEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1	ZINC000800790074	1129887833	/nfs/dbraw/zinc/88/78/33/1129887833.db2.gz	BEKDMYGOKVTGQO-CULDGANSSA-N	-1	0	276.317	3.542	20	30		CHEDRM
CC(=NN=c1[nH]c2ccccc2s1)c1sccc1[O-]	ZINC000769766538	1129922421	/nfs/dbraw/zinc/92/24/21/1129922421.db2.gz	NMLWTVTZSMHUGU-UHFFFAOYSA-N	-1	0	289.385	3.900	20	30		CHEDRM
CC(=NNc1cc(F)c(F)cc1F)c1sccc1[O-]	ZINC000769789754	1129925574	/nfs/dbraw/zinc/92/55/74/1129925574.db2.gz	GKHYTOHAHAZCDA-UHFFFAOYSA-N	-1	0	286.278	3.707	20	30		CHEDRM
N#Cc1cc(-c2ccc3[n-]c(=S)sc3c2)ccc1O	ZINC001242564672	1129937503	/nfs/dbraw/zinc/93/75/03/1129937503.db2.gz	MQACDBARBDRTDH-UHFFFAOYSA-N	-1	0	284.365	3.829	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cnc3ccc(C)cn23)c([O-])c1	ZINC000771859568	1129994538	/nfs/dbraw/zinc/99/45/38/1129994538.db2.gz	NTSJJTCLKMIRNJ-ALCCZGGFSA-N	-1	0	292.338	3.553	20	30		CHEDRM
COc1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001239728624	1130077066	/nfs/dbraw/zinc/07/70/66/1130077066.db2.gz	PCEIHEXQVPQBLK-FBCYGCLPSA-N	-1	0	296.248	3.584	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1csc(Cl)c1	ZINC000787153130	1130133483	/nfs/dbraw/zinc/13/34/83/1130133483.db2.gz	QMBFCYCWSUDVNJ-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
O=C(/C=C\c1ncc(C(F)(F)F)s1)c1ccccc1[O-]	ZINC000788354025	1130183612	/nfs/dbraw/zinc/18/36/12/1130183612.db2.gz	FGKVOWQXVXSODA-WAYWQWQTSA-N	-1	0	299.273	3.764	20	30		CHEDRM
Cc1cccc2cc(C(=O)Nc3cc(C#N)ccc3[O-])oc21	ZINC000748411616	1130231199	/nfs/dbraw/zinc/23/11/99/1130231199.db2.gz	WDUKYBQGRPWOTL-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
[O-]/N=C/c1cc(-c2cncc(F)c2)cc(C(F)(F)F)c1	ZINC001240237295	1130243484	/nfs/dbraw/zinc/24/34/84/1130243484.db2.gz	ZDKFXAXQRHJZQN-PTXOJBNSSA-N	-1	0	284.212	3.715	20	30		CHEDRM
C=CCCC/N=C/c1cc(Br)ccc1O	ZINC000790597878	1130320845	/nfs/dbraw/zinc/32/08/45/1130320845.db2.gz	HFIAMJDULVAKGB-NTEUORMPSA-N	-1	0	268.154	3.540	20	30		CHEDRM
N#Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)c2cc[nH]c21	ZINC001240550416	1130352487	/nfs/dbraw/zinc/35/24/87/1130352487.db2.gz	AODDKHZPSFSQDA-QPJJXVBHSA-N	-1	0	288.306	3.804	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001240550605	1130353810	/nfs/dbraw/zinc/35/38/10/1130353810.db2.gz	KRCDESWZADNWLH-UKUQBLRASA-N	-1	0	281.311	3.650	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C2(C#N)CC2)cc1	ZINC001240737828	1130447541	/nfs/dbraw/zinc/44/75/41/1130447541.db2.gz	OMCOOMJGAIMZFR-UHFFFAOYSA-N	-1	0	293.322	3.616	20	30		CHEDRM
O=C(/C=C/c1cncc2ccccc12)c1cc(F)ccc1[O-]	ZINC000772801487	1130463598	/nfs/dbraw/zinc/46/35/98/1130463598.db2.gz	LLRKUJKQCCZRLN-FNORWQNLSA-N	-1	0	293.297	3.976	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1C	ZINC000772806511	1130472166	/nfs/dbraw/zinc/47/21/66/1130472166.db2.gz	LMQIGPGDEZGGLF-RMKNXTFCSA-N	-1	0	297.310	3.813	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2cncc(C(F)(F)F)c2)c1	ZINC001240793587	1130474852	/nfs/dbraw/zinc/47/48/52/1130474852.db2.gz	YQAGBODBEUDDKG-PTXOJBNSSA-N	-1	0	284.212	3.715	20	30		CHEDRM
N#CC1(c2cccc(-c3ccc(C(=O)[O-])s3)c2)CC1	ZINC001240848736	1130492996	/nfs/dbraw/zinc/49/29/96/1130492996.db2.gz	YOOXYXBVKUXNKN-UHFFFAOYSA-N	-1	0	269.325	3.668	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)c(C)c1	ZINC001241000426	1130558579	/nfs/dbraw/zinc/55/85/79/1130558579.db2.gz	FQCXKSOOTXRGMP-UHFFFAOYSA-N	-1	0	265.312	3.849	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccccc1CS	ZINC001241002643	1130559285	/nfs/dbraw/zinc/55/92/85/1130559285.db2.gz	BZXMMCIAODAPPS-UHFFFAOYSA-N	-1	0	258.342	3.790	20	30		CHEDRM
Cc1cc([N+](=O)[O-])ccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000758061880	1130594784	/nfs/dbraw/zinc/59/47/84/1130594784.db2.gz	FAXPPBXOKCTCGD-VQHVLOKHSA-N	-1	0	283.283	3.505	20	30		CHEDRM
O=C([O-])c1ccc(N=NC=CCc2ccc(F)cc2)cc1	ZINC000747735679	1130635535	/nfs/dbraw/zinc/63/55/35/1130635535.db2.gz	HNSHIUXMHDTIOX-XCSJNYROSA-N	-1	0	284.290	3.635	20	30		CHEDRM
O=C([O-])c1cccc(N=NC=CCc2ccc(F)cc2)c1	ZINC000747735629	1130635803	/nfs/dbraw/zinc/63/58/03/1130635803.db2.gz	FNRJFGXTNLRIBE-QNVPNRMSSA-N	-1	0	284.290	3.635	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2cccc(F)c2C#N)c1	ZINC000811692174	1130638476	/nfs/dbraw/zinc/63/84/76/1130638476.db2.gz	CIQUWOLXPAIYCZ-VURMDHGXSA-N	-1	0	281.286	3.608	20	30		CHEDRM
CC(Cc1cccc(F)c1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000759178664	1130641026	/nfs/dbraw/zinc/64/10/26/1130641026.db2.gz	ABLCXPUEOYGFHG-UHFFFAOYSA-N	-1	0	286.306	3.554	20	30		CHEDRM
CC(CCc1ccccc1)N=Nc1ccccc1C(=O)[O-]	ZINC000812443033	1130691212	/nfs/dbraw/zinc/69/12/12/1130691212.db2.gz	LTIWVONFFDVLFT-UHFFFAOYSA-N	-1	0	282.343	3.805	20	30		CHEDRM
N#CCc1ccccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235459943	1130747748	/nfs/dbraw/zinc/74/77/48/1130747748.db2.gz	XKJYSRYJPITEJM-JXMROGBWSA-N	-1	0	263.296	3.517	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c(C)c1	ZINC000782201110	1130762099	/nfs/dbraw/zinc/76/20/99/1130762099.db2.gz	PNIHJZLAJZGNPK-XQRVVYSFSA-N	-1	0	286.352	3.959	20	30		CHEDRM
O=C([O-])c1csc(/C=C2\CCc3sccc3C2=O)c1	ZINC000782199194	1130762141	/nfs/dbraw/zinc/76/21/41/1130762141.db2.gz	CUIZPIQNGDTVHV-VMPITWQZSA-N	-1	0	290.365	3.720	20	30		CHEDRM
O=C(/C=C/c1scnc1C1CC1)c1ccccc1[O-]	ZINC000782341400	1130773270	/nfs/dbraw/zinc/77/32/70/1130773270.db2.gz	IYHSRIHDKOSCMT-BQYQJAHWSA-N	-1	0	271.341	3.622	20	30		CHEDRM
O=C(/C=C\c1scnc1C1CC1)c1ccccc1[O-]	ZINC000782341401	1130773619	/nfs/dbraw/zinc/77/36/19/1130773619.db2.gz	IYHSRIHDKOSCMT-FPLPWBNLSA-N	-1	0	271.341	3.622	20	30		CHEDRM
N#Cc1c(F)ccc(-c2c(F)cc(F)c([O-])c2F)c1F	ZINC001235999319	1130826770	/nfs/dbraw/zinc/82/67/70/1130826770.db2.gz	DOKFKOSLFISTSX-UHFFFAOYSA-N	-1	0	285.171	3.626	20	30		CHEDRM
N#Cc1nc2c(cccc2-c2ccc(C(=O)[O-])cc2)s1	ZINC001236063547	1130844165	/nfs/dbraw/zinc/84/41/65/1130844165.db2.gz	GKHYAEZLGQFLLZ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1cc2ccc(-c3ccc(C(=O)[O-])cc3)cc2cc1C#N	ZINC001236064161	1130844410	/nfs/dbraw/zinc/84/44/10/1130844410.db2.gz	MPUVSJZGLZYSHQ-UHFFFAOYSA-N	-1	0	298.301	3.948	20	30		CHEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(C)c2Cl)cc1C#N	ZINC001236114149	1130867240	/nfs/dbraw/zinc/86/72/40/1130867240.db2.gz	RVBMYNJEMMNEIN-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
Oc1cccc(C=NNc2ccc(F)cc2F)c1Cl	ZINC000814686403	1130894837	/nfs/dbraw/zinc/89/48/37/1130894837.db2.gz	DIGUIPOXTWXSSZ-UHFFFAOYSA-N	-1	0	282.677	3.770	20	30		CHEDRM
CC(C)(C)[C@H]1CC(N=Nc2ccccc2C(=O)[O-])CS1	ZINC000814769239	1130910337	/nfs/dbraw/zinc/91/03/37/1130910337.db2.gz	WTNHLAUJVNCQJK-CYBMUJFWSA-N	-1	0	292.404	3.704	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000814858848	1130925137	/nfs/dbraw/zinc/92/51/37/1130925137.db2.gz	IBXZAXAHUNHBPA-MELADBBJSA-N	-1	0	282.428	3.812	20	30		CHEDRM
Cc1cc(F)ccc1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000814885151	1130930173	/nfs/dbraw/zinc/93/01/73/1130930173.db2.gz	OXDXVMNZDYXYJB-UHFFFAOYSA-N	-1	0	278.327	3.567	20	30		CHEDRM
CCC(CC)CNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814906266	1130934082	/nfs/dbraw/zinc/93/40/82/1130934082.db2.gz	MMLRSGPBYWWRSE-DGCLKSJQSA-N	-1	0	282.428	3.525	20	30		CHEDRM
CCOc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)cc1	ZINC000814983847	1130947904	/nfs/dbraw/zinc/94/79/04/1130947904.db2.gz	QOKSIRWKCUDMNV-UHFFFAOYSA-N	-1	0	290.363	3.518	20	30		CHEDRM
Cc1cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)oc1C	ZINC000799896338	1131113931	/nfs/dbraw/zinc/11/39/31/1131113931.db2.gz	HXYIPRHMZBKDRX-ARJAWSKDSA-N	-1	0	276.313	3.552	20	30		CHEDRM
Cc1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)oc1C	ZINC000799897860	1131114308	/nfs/dbraw/zinc/11/43/08/1131114308.db2.gz	SYDIHOPLJIBKGR-ARJAWSKDSA-N	-1	0	278.254	3.776	20	30		CHEDRM
Cc1c(N=NC2CCCC2(C)C)cccc1C(=O)[O-]	ZINC000844624950	1131586719	/nfs/dbraw/zinc/58/67/19/1131586719.db2.gz	UMEOVRHIKCSSDP-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
Cc1c(N=NC(C)CCc2ccco2)cccc1C(=O)[O-]	ZINC000844627392	1131586842	/nfs/dbraw/zinc/58/68/42/1131586842.db2.gz	LGTJJAPCCWKGEZ-UHFFFAOYSA-N	-1	0	286.331	3.707	20	30		CHEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@H]1C[C@@H]1C	ZINC000844624495	1131587190	/nfs/dbraw/zinc/58/71/90/1131587190.db2.gz	YJWMCUHBJSFVIP-CABZTGNLSA-N	-1	0	260.337	3.527	20	30		CHEDRM
C[C@@H](CC(=O)Nc1cc(C#N)c(F)cc1[O-])c1ccccc1	ZINC001144425969	1131632772	/nfs/dbraw/zinc/63/27/72/1131632772.db2.gz	HBMKQMXXEOGRBA-NSHDSACASA-N	-1	0	298.317	3.535	20	30		CHEDRM
C=CC[N@@H+](Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1	ZINC001140497688	1131768467	/nfs/dbraw/zinc/76/84/67/1131768467.db2.gz	QRUDOZSUINSRMZ-UHFFFAOYSA-N	-1	0	298.386	3.518	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]ncc(=O)c2Cl)C1	ZINC001228387922	1131872621	/nfs/dbraw/zinc/87/26/21/1131872621.db2.gz	RYBXFOUKESNAPP-CMPLNLGQSA-N	-1	0	280.755	3.515	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]ncc(=O)c1Cl	ZINC001228390943	1131874261	/nfs/dbraw/zinc/87/42/61/1131874261.db2.gz	QAXZSAZYIWKRCO-NHCYSSNCSA-N	-1	0	282.771	3.595	20	30		CHEDRM
C#C[C@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140831997	1131941442	/nfs/dbraw/zinc/94/14/42/1131941442.db2.gz	BUQQVIMSXSLNNT-JTQLQIEISA-N	-1	0	284.186	3.544	20	30		CHEDRM
C=CCO[N-]C(=O)C1(c2ccccc2)CCCCCC1	ZINC001140880067	1131956266	/nfs/dbraw/zinc/95/62/66/1131956266.db2.gz	WXBFZFJNUZWVMJ-UHFFFAOYSA-N	-1	0	273.376	3.512	20	30		CHEDRM
CCn1nc(C=CC(=O)c2sccc2[O-])c2ccccc21	ZINC000773144065	1131961485	/nfs/dbraw/zinc/96/14/85/1131961485.db2.gz	VSKAUEQHIIGLOE-FPLPWBNLSA-N	-1	0	298.367	3.719	20	30		CHEDRM
O=C(C=Cc1nc2c(s1)CCCC2)c1sccc1[O-]	ZINC000773147825	1131963001	/nfs/dbraw/zinc/96/30/01/1131963001.db2.gz	CSUCBLZNDMDJJQ-AATRIKPKSA-N	-1	0	291.397	3.685	20	30		CHEDRM
O=C1c2ccc(F)cc2O/C1=C\c1ccc([O-])c(Cl)c1	ZINC000773171252	1131972254	/nfs/dbraw/zinc/97/22/54/1131972254.db2.gz	IVXZJVLUACMYLW-NSIKDUERSA-N	-1	0	290.677	3.801	20	30		CHEDRM
C=C[C@@H](C)Oc1cc(O)ccc1C(=O)Cc1ccccc1	ZINC001229258878	1132045780	/nfs/dbraw/zinc/04/57/80/1132045780.db2.gz	IFPMNUPWCBZMMV-CYBMUJFWSA-N	-1	0	282.339	3.771	20	30		CHEDRM
C#CCC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCCCC1	ZINC000837265663	1132061587	/nfs/dbraw/zinc/06/15/87/1132061587.db2.gz	JMLWFTTUHPPHDB-UHFFFAOYSA-N	-1	0	293.313	3.583	20	30		CHEDRM
C[C@H](Oc1ccc(N=C2C=CC(=O)C=C2)cc1)C1=CC=C[CH]1	ZINC001229695556	1132106584	/nfs/dbraw/zinc/10/65/84/1132106584.db2.gz	ZLLQCBMDYJEOEW-AWEZNQCLSA-N	-1	0	290.342	3.922	20	30		CHEDRM
C[C@H](Oc1ccc(C2(C#N)CC2)cc1)C1=CC=C[CH]1	ZINC001229945399	1132134204	/nfs/dbraw/zinc/13/42/04/1132134204.db2.gz	WPUQDMMOKFFIAY-ZDUSSCGKSA-N	-1	0	250.321	3.710	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc2ccccc2o1	ZINC000842694231	1132451864	/nfs/dbraw/zinc/45/18/64/1132451864.db2.gz	TUVIDOLAXZENII-ASCRHOAZSA-N	-1	0	280.327	3.750	20	30		CHEDRM
N#CC(=C([O-])C=C(C1CC1)C1CC1)c1nc(C2CC2)cs1	ZINC000842943392	1132480433	/nfs/dbraw/zinc/48/04/33/1132480433.db2.gz	WAIDDKFVFMLUQI-AWEZNQCLSA-N	-1	0	298.411	3.943	20	30		CHEDRM
CSc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001173813554	1132518271	/nfs/dbraw/zinc/51/82/71/1132518271.db2.gz	RZDMIQJJRGLREE-UHFFFAOYSA-N	-1	0	274.320	3.868	20	30		CHEDRM
CC(C)Oc1cc(-c2cc(/C=N/[O-])ccc2F)c(F)cn1	ZINC001206642899	1132575973	/nfs/dbraw/zinc/57/59/73/1132575973.db2.gz	GWTUFRQPDXWUFY-FBCYGCLPSA-N	-1	0	292.285	3.622	20	30		CHEDRM
Cc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1C	ZINC001173954149	1132661320	/nfs/dbraw/zinc/66/13/20/1132661320.db2.gz	HKFUQIJCPKPBHK-UHFFFAOYSA-N	-1	0	256.280	3.763	20	30		CHEDRM
C=CC[C@@H](CCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233828248	1132686080	/nfs/dbraw/zinc/68/60/80/1132686080.db2.gz	ZPFWURXMLXNLGH-LBPRGKRZSA-N	-1	0	274.316	3.622	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919468	1132698257	/nfs/dbraw/zinc/69/82/57/1132698257.db2.gz	TZSCTKBPBBSXGE-ZLDLUXBVSA-N	-1	0	286.375	3.727	20	30		CHEDRM
CC(C)Oc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001174113135	1132728257	/nfs/dbraw/zinc/72/82/57/1132728257.db2.gz	SOZBDFHKZJOIRB-UHFFFAOYSA-N	-1	0	274.345	3.856	20	30		CHEDRM
C=C(C)CCNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001158796314	1132794500	/nfs/dbraw/zinc/79/45/00/1132794500.db2.gz	KWABPURSPIXLOY-UHFFFAOYSA-N	-1	0	289.762	3.895	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174496798	1132862144	/nfs/dbraw/zinc/86/21/44/1132862144.db2.gz	STWHHCNWOJTSPE-SNAWJCMRSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496986	1132862159	/nfs/dbraw/zinc/86/21/59/1132862159.db2.gz	YJFIUICKOPOUJY-BQYQJAHWSA-N	-1	0	282.274	3.539	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496043	1132862334	/nfs/dbraw/zinc/86/23/34/1132862334.db2.gz	ARHIYDBHYKJUCI-BQYQJAHWSA-N	-1	0	278.311	3.708	20	30		CHEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC001164450690	1133219422	/nfs/dbraw/zinc/21/94/22/1133219422.db2.gz	DSMMNDPGVWCCCC-CQSZACIVSA-N	-1	0	291.391	3.510	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292429	1133311809	/nfs/dbraw/zinc/31/18/09/1133311809.db2.gz	NLLLOWWGBPDKHD-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(C(=O)[O-])cc2F)cc1C#N	ZINC001203299362	1133312249	/nfs/dbraw/zinc/31/22/49/1133312249.db2.gz	KRNWLFWINSFEED-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
CCc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1	ZINC001204656560	1133472331	/nfs/dbraw/zinc/47/23/31/1133472331.db2.gz	OQRJMAGZYUHWLW-UHFFFAOYSA-N	-1	0	293.346	3.501	20	30		CHEDRM
O=C([O-])c1c(F)ccc(-c2ccccc2CS)c1F	ZINC001205106292	1133529667	/nfs/dbraw/zinc/52/96/67/1133529667.db2.gz	CNHKNILFOWAXRA-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
C=C(C)c1cncc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206039010	1133646602	/nfs/dbraw/zinc/64/66/02/1133646602.db2.gz	XPEBNZJVAWJWLY-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
N#CCc1ccc(F)c(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206045355	1133648306	/nfs/dbraw/zinc/64/83/06/1133648306.db2.gz	SGYSAOVIOHHCTN-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001206045660	1133648494	/nfs/dbraw/zinc/64/84/94/1133648494.db2.gz	XFCIMECMZDPINC-SECBINFHSA-N	-1	0	287.265	3.957	20	30		CHEDRM
Cc1c(C#N)c(-c2csc(C(=O)[O-])c2)nc2ccccc12	ZINC001206256693	1133677245	/nfs/dbraw/zinc/67/72/45/1133677245.db2.gz	GKYZDTFEKPPEMJ-UHFFFAOYSA-N	-1	0	294.335	3.842	20	30		CHEDRM
N#Cc1ccc2nccc(-c3csc(C(=O)[O-])c3)c2c1	ZINC001206278918	1133682060	/nfs/dbraw/zinc/68/20/60/1133682060.db2.gz	MXXWOXVGEFDLOQ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
O=C([O-])c1cc(-c2ccccc2CS)cs1	ZINC001206290894	1133683355	/nfs/dbraw/zinc/68/33/55/1133683355.db2.gz	DZRBGEWQJYVYMM-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
CCCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001209866117	1134090385	/nfs/dbraw/zinc/09/03/85/1134090385.db2.gz	DUNYDKHNLAYQEV-UHFFFAOYSA-N	-1	0	286.306	3.935	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(Cl)c1	ZINC001209889367	1134095273	/nfs/dbraw/zinc/09/52/73/1134095273.db2.gz	LLOQSSSTJZSPOQ-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
COc1ccc(Nc2ccc([C@H](C)C#N)cc2)cc1C(=O)[O-]	ZINC001209903508	1134099243	/nfs/dbraw/zinc/09/92/43/1134099243.db2.gz	WNGNKRGCDZXUBY-LLVKDONJSA-N	-1	0	296.326	3.764	20	30		CHEDRM
Cc1csc(Nc2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001210005640	1134120871	/nfs/dbraw/zinc/12/08/71/1134120871.db2.gz	MWTGRHZWMJMPHW-UHFFFAOYSA-N	-1	0	290.319	3.818	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C#N)c(F)c1	ZINC001210008611	1134121728	/nfs/dbraw/zinc/12/17/28/1134121728.db2.gz	QTPKUFGCTMLNRF-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
COc1cccc(Nc2cc([O-])c(Cl)cc2F)c1C#N	ZINC001210123373	1134152488	/nfs/dbraw/zinc/15/24/88/1134152488.db2.gz	JLEPKNONWMVDHR-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2F)cc1F	ZINC001210245418	1134177250	/nfs/dbraw/zinc/17/72/50/1134177250.db2.gz	MGFWGWQTFAJMKW-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(F)c(F)cc1Nc1cccc([O-])c1Cl	ZINC001210860225	1134315600	/nfs/dbraw/zinc/31/56/00/1134315600.db2.gz	RCLKNKDSAHGOIQ-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CCc1cccc(C)c1Nc1scc([O-])c1C#N	ZINC001210874509	1134320665	/nfs/dbraw/zinc/32/06/65/1134320665.db2.gz	GKNHQDCVIPEOLZ-UHFFFAOYSA-N	-1	0	258.346	3.940	20	30		CHEDRM
Cc1ncc(C2CC2)cc1Nc1scc([O-])c1C#N	ZINC001213494907	1134454377	/nfs/dbraw/zinc/45/43/77/1134454377.db2.gz	LWFQIIUJSNTMBX-UHFFFAOYSA-N	-1	0	271.345	3.650	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(CCC(=O)[O-])cc2)s1	ZINC001213621592	1134470489	/nfs/dbraw/zinc/47/04/89/1134470489.db2.gz	ZFSNUSWLSFJVBY-UHFFFAOYSA-N	-1	0	286.356	3.689	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213628045	1134470888	/nfs/dbraw/zinc/47/08/88/1134470888.db2.gz	VOEODFSBTOZYBE-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
COc1cccc(Nc2c(Cl)ccc([O-])c2F)c1C#N	ZINC001214563694	1134552196	/nfs/dbraw/zinc/55/21/96/1134552196.db2.gz	NWKDKZFGOJAVOD-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1ccccc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214743384	1134568393	/nfs/dbraw/zinc/56/83/93/1134568393.db2.gz	UYYGOJHPFDMOID-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)cc1	ZINC001214799012	1134574859	/nfs/dbraw/zinc/57/48/59/1134574859.db2.gz	GWMYCSCJPGFSLP-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
CSc1ncc(Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001215830820	1134697874	/nfs/dbraw/zinc/69/78/74/1134697874.db2.gz	UZSPWMOVFQDJPN-UHFFFAOYSA-N	-1	0	289.335	3.572	20	30		CHEDRM
N#Cc1cc(Nc2cc(C3CC3)cnc2F)c([O-])cc1F	ZINC001215959073	1134732482	/nfs/dbraw/zinc/73/24/82/1134732482.db2.gz	PXFFAAQZYWGHSH-UHFFFAOYSA-N	-1	0	287.269	3.558	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1	ZINC001216311779	1134846378	/nfs/dbraw/zinc/84/63/78/1134846378.db2.gz	SWRJEVYTSBANQX-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1c(F)ccc(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001216344810	1134864236	/nfs/dbraw/zinc/86/42/36/1134864236.db2.gz	JOURZZOQWREMNM-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1cccc(C(=O)[O-])c1C	ZINC001216661247	1134941201	/nfs/dbraw/zinc/94/12/01/1134941201.db2.gz	CYGZPNOBYLDVGL-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
C=C(C)c1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)nc1	ZINC001222665356	1135262040	/nfs/dbraw/zinc/26/20/40/1135262040.db2.gz	ACNJMVSBKZCYDC-UHFFFAOYSA-N	-1	0	279.339	3.898	20	30		CHEDRM
C#C[C@@H](CC)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940626	1135286525	/nfs/dbraw/zinc/28/65/25/1135286525.db2.gz	WPKWRKOWROQQSN-XZCCHYJMSA-N	-1	0	287.693	3.539	20	30		CHEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccccn1	ZINC001223592525	1135363831	/nfs/dbraw/zinc/36/38/31/1135363831.db2.gz	BITGOYWATMLZAV-PXAAABLISA-N	-1	0	276.723	3.649	20	30		CHEDRM
CCCC(CCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223892462	1135394369	/nfs/dbraw/zinc/39/43/69/1135394369.db2.gz	HWPSGCCDDJGQEV-MSUUIHNZSA-N	-1	0	295.379	3.825	20	30		CHEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H](C)CCC(C)C)c1	ZINC001223892482	1135395001	/nfs/dbraw/zinc/39/50/01/1135395001.db2.gz	IOEUGBNPCDDVBJ-ICDILTBESA-N	-1	0	295.379	3.681	20	30		CHEDRM
CCC[C@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)C	ZINC001223893219	1135395782	/nfs/dbraw/zinc/39/57/82/1135395782.db2.gz	SPHDNVREBGKSBC-HYEKCJMVSA-N	-1	0	295.379	3.681	20	30		CHEDRM
O/N=C(/c1ccccc1)[C@H](OCCCF)c1ccccc1	ZINC001225156300	1135508691	/nfs/dbraw/zinc/50/86/91/1135508691.db2.gz	NRHBENVACCZPLS-KAKMCVKYSA-N	-1	0	287.334	3.982	20	30		CHEDRM
C=C[C@@H](CCCCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225492298	1135576462	/nfs/dbraw/zinc/57/64/62/1135576462.db2.gz	VPDIXJJFJHNNGA-LBPRGKRZSA-N	-1	0	265.309	3.814	20	30		CHEDRM
C#C[C@@H](CCCCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225880268	1135632957	/nfs/dbraw/zinc/63/29/57/1135632957.db2.gz	SGEBAFSNKGZUGP-QMMMGPOBSA-N	-1	0	290.256	3.910	20	30		CHEDRM
COc1ccc([C@@H](C)Oc2cccc(/C=N/O)c2)cc1	ZINC001226113846	1135664072	/nfs/dbraw/zinc/66/40/72/1135664072.db2.gz	AOJJIUYEBHTBCI-PBSOMRJOSA-N	-1	0	271.316	3.643	20	30		CHEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c(C)c1	ZINC001226222913	1135673714	/nfs/dbraw/zinc/67/37/14/1135673714.db2.gz	JSLRKGYUUUJDLI-CYBMUJFWSA-N	-1	0	282.343	3.724	20	30		CHEDRM
C=CC[C@@H](CCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227602673	1135848828	/nfs/dbraw/zinc/84/88/28/1135848828.db2.gz	YHFMXUYTEOLSFV-ZETCQYMHSA-N	-1	0	277.151	3.613	20	30		CHEDRM
C[C@@H]1CC(=O)CC[C@@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329001858	227253904	/nfs/dbraw/zinc/25/39/04/227253904.db2.gz	WBQQCYOVGJIENG-APPZFPTMSA-N	-1	0	294.401	3.951	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc(F)cc(Cl)c2)n1	ZINC000336042537	228181780	/nfs/dbraw/zinc/18/17/80/228181780.db2.gz	IQWYKWLDCXKDMB-LLVKDONJSA-N	-1	0	294.738	3.734	20	30		CHEDRM
C[C@@H](CC1CCCC1)C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000072567652	260277296	/nfs/dbraw/zinc/27/72/96/260277296.db2.gz	XGRFLNMDTUCVIZ-ZETCQYMHSA-N	-1	0	290.289	3.628	20	30		CHEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000331231148	264152811	/nfs/dbraw/zinc/15/28/11/264152811.db2.gz	HSAPEDOALRVCGG-XVKPBYJWSA-N	-1	0	299.157	3.696	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1[O-]	ZINC000189943358	264337692	/nfs/dbraw/zinc/33/76/92/264337692.db2.gz	HFVOTQCYCSJQSM-UHFFFAOYSA-N	-1	0	288.306	3.669	20	30		CHEDRM
C=CCC[C@@H](CCC)Nc1cccc(CC(=O)[O-])c1	ZINC000563393367	328061439	/nfs/dbraw/zinc/06/14/39/328061439.db2.gz	MWBRRZGBFWCRDO-CQSZACIVSA-N	-1	0	261.365	3.861	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)s2)n1	ZINC000048520367	328309540	/nfs/dbraw/zinc/30/95/40/328309540.db2.gz	IKYFPIKFTZUJKT-ZETCQYMHSA-N	-1	0	282.777	3.657	20	30		CHEDRM
C=CCCc1csc(-c2cccc(C(=O)[O-])c2)n1	ZINC000536387955	327234867	/nfs/dbraw/zinc/23/48/67/327234867.db2.gz	VJPPGZHHOCEJGQ-UHFFFAOYSA-N	-1	0	259.330	3.627	20	30		CHEDRM
C=Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000559843922	327264450	/nfs/dbraw/zinc/26/44/50/327264450.db2.gz	IOVLBYAVYPFBHQ-CQSZACIVSA-N	-1	0	288.306	3.961	20	30		CHEDRM
C=Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000559843915	327264536	/nfs/dbraw/zinc/26/45/36/327264536.db2.gz	IOVLBYAVYPFBHQ-AWEZNQCLSA-N	-1	0	288.306	3.961	20	30		CHEDRM
Cc1cc(NC2CCC(C)(C#N)CC2)ccc1C(=O)[O-]	ZINC000570615171	327604431	/nfs/dbraw/zinc/60/44/31/327604431.db2.gz	YMMZMMCDBGLBJJ-UHFFFAOYSA-N	-1	0	272.348	3.578	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000430509539	330568739	/nfs/dbraw/zinc/56/87/39/330568739.db2.gz	JCDCLCIUEAYDPJ-LLVKDONJSA-N	-1	0	288.372	3.912	20	30		CHEDRM
Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1C1CC1	ZINC000443108351	330795355	/nfs/dbraw/zinc/79/53/55/330795355.db2.gz	HZQWPSOEXPZRBZ-UHFFFAOYSA-N	-1	0	292.338	3.702	20	30		CHEDRM
C=CCC[C@H](N=c1[n-]nc(C(C)C)o1)c1ccccc1	ZINC000450396759	330976279	/nfs/dbraw/zinc/97/62/79/330976279.db2.gz	XFMQNAFDDSDELC-AWEZNQCLSA-N	-1	0	271.364	3.734	20	30		CHEDRM
C=CCC[C@@H](N=c1[n-]nc(C(C)C)o1)c1ccccc1	ZINC000450396760	330976284	/nfs/dbraw/zinc/97/62/84/330976284.db2.gz	XFMQNAFDDSDELC-CQSZACIVSA-N	-1	0	271.364	3.734	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2cccc(C3CCC3)c2)cc1[O-]	ZINC000462725890	331325687	/nfs/dbraw/zinc/32/56/87/331325687.db2.gz	OSCCVMZIZJTWDB-UHFFFAOYSA-N	-1	0	292.338	3.784	20	30		CHEDRM
C=CCN=c1[n-]nc(S[C@@H](C)c2cccc(C)c2)s1	ZINC000463035888	331337924	/nfs/dbraw/zinc/33/79/24/331337924.db2.gz	IQWLGWMAIQCDPZ-NSHDSACASA-N	-1	0	291.445	3.720	20	30		CHEDRM
CC(C)Oc1ccc(CC#N)cc1-c1ccccc1C(=O)[O-]	ZINC000565035512	334535336	/nfs/dbraw/zinc/53/53/36/334535336.db2.gz	IZADIGHNGJPXJO-UHFFFAOYSA-N	-1	0	295.338	3.905	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000103357307	519975301	/nfs/dbraw/zinc/97/53/01/519975301.db2.gz	DCWQTRRPOVTHNC-OAHLLOKOSA-N	-1	0	297.439	3.983	20	30		CHEDRM
Cc1ccc(NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1	ZINC000738632599	600180330	/nfs/dbraw/zinc/18/03/30/600180330.db2.gz	JFUAFUSKFMMUMZ-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
CC(C)(C(=O)[O-])c1ccc(NCc2ccccc2C#N)cc1	ZINC000736233357	600680612	/nfs/dbraw/zinc/68/06/12/600680612.db2.gz	YUDWGGSCTZBJOE-UHFFFAOYSA-N	-1	0	294.354	3.533	20	30		CHEDRM
N#Cc1ccc([C@H](Sc2ccccc2F)C(=O)[O-])cc1	ZINC000739117923	600935420	/nfs/dbraw/zinc/93/54/20/600935420.db2.gz	NQZOQKUHAGOHLQ-AWEZNQCLSA-N	-1	0	287.315	3.615	20	30		CHEDRM
Cc1oc(CSc2ccc(C#N)cc2F)cc1C(=O)[O-]	ZINC000738976607	600987015	/nfs/dbraw/zinc/98/70/15/600987015.db2.gz	VENMSFHRIRFOPH-UHFFFAOYSA-N	-1	0	291.303	3.589	20	30		CHEDRM
CCCCC[C@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000829312678	601365909	/nfs/dbraw/zinc/36/59/09/601365909.db2.gz	YMXHZIQADLPHOG-JJBLJPBOSA-N	-1	0	299.370	3.998	20	30		CHEDRM
N#Cc1cccc(SCc2ccc(C(=O)[O-])s2)c1	ZINC000833075327	602290652	/nfs/dbraw/zinc/29/06/52/602290652.db2.gz	QLFVIOSCYJQNTO-UHFFFAOYSA-N	-1	0	275.354	3.610	20	30		CHEDRM
C[C@H](NC(=O)[O-])c1ccc(NCC(C)(C)CCC#N)cc1	ZINC000825448993	603178390	/nfs/dbraw/zinc/17/83/90/603178390.db2.gz	JCGQYJUZACRMKV-LBPRGKRZSA-N	-1	0	289.379	3.757	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1F	ZINC000832928876	604629876	/nfs/dbraw/zinc/62/98/76/604629876.db2.gz	XTRHVDQIVQEUEK-WTKPLQERSA-N	-1	0	284.286	3.728	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1cccc(Cl)c1F	ZINC000759647998	605100215	/nfs/dbraw/zinc/10/02/15/605100215.db2.gz	GNQJWJUANYEUSP-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)ccc1F	ZINC000763338828	605593394	/nfs/dbraw/zinc/59/33/94/605593394.db2.gz	MKDQHLPJOFCTOD-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
C[C@H]1CCC[C@H](CN=Nc2cccc(C(=O)[O-])c2)C1	ZINC000768358449	605593624	/nfs/dbraw/zinc/59/36/24/605593624.db2.gz	VQBNKJMCASBKRO-RYUDHWBXSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C[C@@H](NC(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1	ZINC000833819177	605962236	/nfs/dbraw/zinc/96/22/36/605962236.db2.gz	NBFSIXAAWBDCBR-LLVKDONJSA-N	-1	0	266.300	3.554	20	30		CHEDRM
CC(=NN[C@H](C)C(C)(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000814937929	978899354	/nfs/dbraw/zinc/89/93/54/978899354.db2.gz	RUUXTGIOIDFVIZ-DGCLKSJQSA-N	-1	0	270.417	3.668	20	30		CHEDRM
C=CC[C@H](Sc1cc(Cl)ccc1F)C(=O)[O-]	ZINC001588759625	984112863	/nfs/dbraw/zinc/11/28/63/984112863.db2.gz	XWZJGIWYHULQCK-VIFPVBQESA-N	-1	0	260.717	3.601	20	30		CHEDRM
CCCCCCCSc1nc(C(=O)[O-])cs1	ZINC000379005737	971589987	/nfs/dbraw/zinc/58/99/87/971589987.db2.gz	FVKPLGHFUJIWSP-UHFFFAOYSA-N	-1	0	259.396	3.904	20	30		CHEDRM
C=CCCCCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000386538998	972063687	/nfs/dbraw/zinc/06/36/87/972063687.db2.gz	ZSOWXNBGACOVFP-UHFFFAOYSA-N	-1	0	292.335	3.841	20	30		CHEDRM
C#CCCCCCCNc1cccc(CCC(=O)[O-])c1	ZINC001588390752	958013491	/nfs/dbraw/zinc/01/34/91/958013491.db2.gz	GNUFZMKQEGYLER-UHFFFAOYSA-N	-1	0	273.376	3.699	20	30		CHEDRM
CCCCCCCC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000113919200	958450473	/nfs/dbraw/zinc/45/04/73/958450473.db2.gz	UYMHLBBFFYZUBW-UHFFFAOYSA-N	-1	0	283.412	3.641	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000729632250	1125468057	/nfs/dbraw/zinc/46/80/57/1125468057.db2.gz	PSURPJOGGVYVFW-UHFFFAOYSA-N	-1	0	280.393	3.704	20	30		CHEDRM
C=C(CC)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC001573326459	962804603	/nfs/dbraw/zinc/80/46/03/962804603.db2.gz	WIQQTNAFZDCFRM-UHFFFAOYSA-N	-1	0	275.329	3.504	20	30		CHEDRM
C=CC(C)(C)CC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001573348670	962960064	/nfs/dbraw/zinc/96/00/64/962960064.db2.gz	ZGTOQYLRFVBWRC-UHFFFAOYSA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=CCCc1ccccc1NCc1cc(C(=O)[O-])c(C)[nH]1	ZINC001573360650	963041181	/nfs/dbraw/zinc/04/11/81/963041181.db2.gz	UCLIYQYAZHKEND-UHFFFAOYSA-N	-1	0	284.359	3.752	20	30		CHEDRM
C#CCCCCCCN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC001588441680	964052873	/nfs/dbraw/zinc/05/28/73/964052873.db2.gz	JJNUBNGXQUMFBO-OAHLLOKOSA-N	-1	0	285.387	3.649	20	30		CHEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000393751080	972635113	/nfs/dbraw/zinc/63/51/13/972635113.db2.gz	VSDBXXCVWICZLZ-SECBINFHSA-N	-1	0	296.754	3.514	20	30		CHEDRM
CCCCCCCCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000401436119	973364972	/nfs/dbraw/zinc/36/49/72/973364972.db2.gz	JVHUAJNPYNZSHO-ZDUSSCGKSA-N	-1	0	285.428	3.743	20	30		CHEDRM
CCCC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367893	978720849	/nfs/dbraw/zinc/72/08/49/978720849.db2.gz	IPTLYIVCWGLUOF-NSHDSACASA-N	-1	0	275.352	3.538	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000774136689	978746511	/nfs/dbraw/zinc/74/65/11/978746511.db2.gz	CSWIKTSNECQONL-AATRIKPKSA-N	-1	0	272.325	3.651	20	30		CHEDRM
Cc1cc(F)ccc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774138718	978747054	/nfs/dbraw/zinc/74/70/54/978747054.db2.gz	MNOLXVVMNJLLHL-YVMONPNESA-N	-1	0	284.286	3.728	20	30		CHEDRM
C[C@H]1c2ccccc2C(=O)/C1=C/c1cccc(C(=O)[O-])c1	ZINC000809155668	978853455	/nfs/dbraw/zinc/85/34/55/978853455.db2.gz	CSYRWNLZUSPCDM-YAFRSCOQSA-N	-1	0	278.307	3.768	20	30		CHEDRM
CC(=NNc1ccccc1Cl)c1cc(C(=O)[O-])cs1	ZINC000814691026	978873591	/nfs/dbraw/zinc/87/35/91/978873591.db2.gz	KDYIDUOZGHVHNS-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
CC(=NN[C@@H]1CCCC1(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814917465	978898811	/nfs/dbraw/zinc/89/88/11/978898811.db2.gz	LTTQKISUAMFRLU-GXTWGEPZSA-N	-1	0	282.428	3.812	20	30		CHEDRM
Cc1c(N=NC2CCC[C@H]2C(C)(C)C#N)cccc1C(=O)[O-]	ZINC000844624632	979397826	/nfs/dbraw/zinc/39/78/26/979397826.db2.gz	YNOTZWRDLYNWMO-CYBMUJFWSA-N	-1	0	299.374	3.811	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC(=C3CCC3)CC2)nc1	ZINC000853325285	979605418	/nfs/dbraw/zinc/60/54/18/979605418.db2.gz	FNCXSRRMVDJDAZ-UHFFFAOYSA-N	-1	0	285.347	3.602	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000907583078	981196614	/nfs/dbraw/zinc/19/66/14/981196614.db2.gz	YUCLKALAUQBINI-VIFPVBQESA-N	-1	0	281.739	3.579	20	30		CHEDRM
CCCC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cccnc1	ZINC001595522007	981343285	/nfs/dbraw/zinc/34/32/85/981343285.db2.gz	IODSCUDRKWSRAX-UHFFFAOYSA-N	-1	0	297.358	3.705	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000909287686	981459817	/nfs/dbraw/zinc/45/98/17/981459817.db2.gz	IOWXEGYNBPCHGB-QGZVFWFLSA-N	-1	0	289.375	3.590	20	30		CHEDRM
CCCC[C@H](SCc1ccc(C#N)cc1C)C(=O)[O-]	ZINC001595657617	982064715	/nfs/dbraw/zinc/06/47/15/982064715.db2.gz	OUEHQQKTSNACOW-AWEZNQCLSA-N	-1	0	277.389	3.743	20	30		CHEDRM
CCCCCCCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC001595702242	982261812	/nfs/dbraw/zinc/26/18/12/982261812.db2.gz	FOIBFSLTORWVRD-QGZVFWFLSA-N	-1	0	297.439	3.887	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2cccc(Cl)c2F)cc1	ZINC000921138023	982696978	/nfs/dbraw/zinc/69/69/78/982696978.db2.gz	ZTCKQHHVPHMLDR-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001588536943	983596695	/nfs/dbraw/zinc/59/66/95/983596695.db2.gz	WAOLFKBXXOFCJQ-VIFPVBQESA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=C(C)CCOc1ccn(Cc2ccccc2)c1C(=O)[O-]	ZINC001588561506	983641946	/nfs/dbraw/zinc/64/19/46/983641946.db2.gz	HERCFJGGPPTLCO-UHFFFAOYSA-N	-1	0	285.343	3.580	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1	ZINC001588605675	983693891	/nfs/dbraw/zinc/69/38/91/983693891.db2.gz	MUUODLCPJSIGEV-UHFFFAOYSA-N	-1	0	295.338	3.979	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1	ZINC001588682840	983845987	/nfs/dbraw/zinc/84/59/87/983845987.db2.gz	QZYHTMHPHPBAHB-QGZVFWFLSA-N	-1	0	290.359	3.557	20	30		CHEDRM
C=C[C@H](SCc1c(Cl)cccc1Cl)C(=O)[O-]	ZINC001588715367	983955059	/nfs/dbraw/zinc/95/50/59/983955059.db2.gz	WTUSHJIPMMEOMX-JTQLQIEISA-N	-1	0	277.172	3.866	20	30		CHEDRM
C=CC[C@@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-]	ZINC001588752367	984081023	/nfs/dbraw/zinc/08/10/23/984081023.db2.gz	WQQZJTXQAZWXGQ-GHMZBOCLSA-N	-1	0	291.244	3.701	20	30		CHEDRM
C=CC[C@H]1CC[C@H](Nc2cc(COC)cc(C(=O)[O-])c2)C1	ZINC001588770559	984134505	/nfs/dbraw/zinc/13/45/05/984134505.db2.gz	ASIXOPSQMHHLLD-WFASDCNBSA-N	-1	0	289.375	3.688	20	30		CHEDRM
C=CCC[C@@H](C)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588777478	984156368	/nfs/dbraw/zinc/15/63/68/984156368.db2.gz	AHNLDLZNHCYKPY-LLVKDONJSA-N	-1	0	270.332	3.700	20	30		CHEDRM
C=CCN(Cc1csc(C(=O)[O-])c1)Cc1cccs1	ZINC001588831618	984315367	/nfs/dbraw/zinc/31/53/67/984315367.db2.gz	DZBIIKZHGDHDJW-UHFFFAOYSA-N	-1	0	293.413	3.696	20	30		CHEDRM
CC#CCCCC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC001588927041	984596698	/nfs/dbraw/zinc/59/66/98/984596698.db2.gz	JYLLREOSZAUYQX-UHFFFAOYSA-N	-1	0	287.359	3.640	20	30		CHEDRM
CC(C)(C#N)CCCNc1cccc(Cl)c1C(=O)[O-]	ZINC001589554754	987302993	/nfs/dbraw/zinc/30/29/93/987302993.db2.gz	MPUZMEPDKNBRHM-UHFFFAOYSA-N	-1	0	280.755	3.780	20	30		CHEDRM
CSc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001599811767	988348576	/nfs/dbraw/zinc/34/85/76/988348576.db2.gz	ABHNDJFWSPNWND-DAXSKMNVSA-N	-1	0	288.324	3.596	20	30		CHEDRM
CC(C)=CCON=C(CCCCC(=O)[O-])C(F)(F)F	ZINC001590924237	990921243	/nfs/dbraw/zinc/92/12/43/990921243.db2.gz	DSRNPIITQOFQAZ-UHFFFAOYSA-N	-1	0	281.274	3.533	20	30		CHEDRM
C[C@@H](SCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-]	ZINC001593661581	996038075	/nfs/dbraw/zinc/03/80/75/996038075.db2.gz	HLZNBSDOSZPQHO-GFCCVEGCSA-N	-1	0	297.379	3.932	20	30		CHEDRM
C[C@H](Sc1ncc(C(=O)[O-])s1)c1cccc(C#N)c1	ZINC001593678294	996091131	/nfs/dbraw/zinc/09/11/31/996091131.db2.gz	IVPGAZBBWGYQFO-QMMMGPOBSA-N	-1	0	290.369	3.566	20	30		CHEDRM
CC(CCCCC#N)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000841603249	1132374309	/nfs/dbraw/zinc/37/43/09/1132374309.db2.gz	NFKFUCAARBASEN-UHFFFAOYSA-N	-1	0	293.754	3.910	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2ccsc2C(=O)[O-])c1	ZINC001215393923	1134622827	/nfs/dbraw/zinc/62/28/27/1134622827.db2.gz	ATRXKHTXEQBELE-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1ccccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211965165	1125532008	/nfs/dbraw/zinc/53/20/08/1125532008.db2.gz	REKPVHJOKHYXLX-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)CC2(CC(=O)[O-])CCC2)c1	ZINC000899854904	1126705312	/nfs/dbraw/zinc/70/53/12/1126705312.db2.gz	PNTOSZUJCUVJHR-UHFFFAOYSA-N	-1	0	287.359	3.693	20	30		CHEDRM
CC(C)(C)c1nnc([N-]c2ccc(C#N)cc2Cl)o1	ZINC001213989759	1126797414	/nfs/dbraw/zinc/79/74/14/1126797414.db2.gz	LJPOEXPGAGVFPZ-UHFFFAOYSA-N	-1	0	276.727	3.636	20	30		CHEDRM
CC(C)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000149051960	1126923208	/nfs/dbraw/zinc/92/32/08/1126923208.db2.gz	XRIZLRZWWTVHJW-BJMVGYQFSA-N	-1	0	298.338	3.781	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(Cl)c1F	ZINC000814818981	1130916754	/nfs/dbraw/zinc/91/67/54/1130916754.db2.gz	RUNOLCNVRJOJNU-UHFFFAOYSA-N	-1	0	298.745	3.912	20	30		CHEDRM
CC[C@H](C)CON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814939057	1130940323	/nfs/dbraw/zinc/94/03/23/1130940323.db2.gz	CLHMVZLKZOYEIC-QJPTWQEYSA-N	-1	0	269.385	3.562	20	30		CHEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc2ccccc2c1[O-]	ZINC000156608800	1127159848	/nfs/dbraw/zinc/15/98/48/1127159848.db2.gz	UBDOBJLAQSAFIG-MDZDMXLPSA-N	-1	0	292.338	3.781	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccccc1F	ZINC000156589963	1127160106	/nfs/dbraw/zinc/16/01/06/1127160106.db2.gz	URBPJJUQFDQCLI-AATRIKPKSA-N	-1	0	278.229	3.706	20	30		CHEDRM
C=C[C@H](CCCCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225019193	1127323011	/nfs/dbraw/zinc/32/30/11/1127323011.db2.gz	UKLXTHSJPWQWFX-CQSZACIVSA-N	-1	0	292.356	3.876	20	30		CHEDRM
C[C@@H]1COCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000760989208	1127356645	/nfs/dbraw/zinc/35/66/45/1127356645.db2.gz	AHZIBDFTZQOCPX-QBKOQIIZSA-N	-1	0	288.174	3.543	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)o1	ZINC000361519868	1127568991	/nfs/dbraw/zinc/56/89/91/1127568991.db2.gz	QQUULVNZLPUKPM-INIZCTEOSA-N	-1	0	290.322	3.935	20	30		CHEDRM
C=CCCc1ccc(-c2cncc(C3(C(=O)[O-])CC3)c2)cc1	ZINC000517966524	1127907721	/nfs/dbraw/zinc/90/77/21/1127907721.db2.gz	XPVGYHPGYOCRBP-UHFFFAOYSA-N	-1	0	293.366	3.983	20	30		CHEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1C	ZINC000443334041	1127977288	/nfs/dbraw/zinc/97/72/88/1127977288.db2.gz	LKMCYDPGEGVMSL-UHFFFAOYSA-N	-1	0	294.354	3.547	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCCC(F)(F)C2)c1	ZINC000800721394	1128032821	/nfs/dbraw/zinc/03/28/21/1128032821.db2.gz	MKQMKQYKZOIJBD-HLGUWXJESA-N	-1	0	298.289	3.545	20	30		CHEDRM
CCCCC[C@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915242	1128064742	/nfs/dbraw/zinc/06/47/42/1128064742.db2.gz	BUTHNNWDESPKRT-LBPRGKRZSA-N	-1	0	262.353	3.705	20	30		CHEDRM
CCCCC[C@@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915241	1128065023	/nfs/dbraw/zinc/06/50/23/1128065023.db2.gz	BUTHNNWDESPKRT-GFCCVEGCSA-N	-1	0	262.353	3.705	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(Cl)c2)s1	ZINC000213227563	1128231871	/nfs/dbraw/zinc/23/18/71/1128231871.db2.gz	JJOOJVSTSHASTQ-PLNGDYQASA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000916240917	1128412544	/nfs/dbraw/zinc/41/25/44/1128412544.db2.gz	VSYRUELOWGLDBS-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
CC(C)c1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255268	1128412598	/nfs/dbraw/zinc/41/25/98/1128412598.db2.gz	NRJZJXZXMSVMMH-UHFFFAOYSA-N	-1	0	282.343	3.954	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NNc1ccccn1	ZINC000916273540	1128415303	/nfs/dbraw/zinc/41/53/03/1128415303.db2.gz	JGDHSTZQVZGSEG-UHFFFAOYSA-N	-1	0	282.130	3.540	20	30		CHEDRM
Cc1ccsc1/C=C1\Oc2cc(O)cc(C)c2C1=O	ZINC000915989030	1128401653	/nfs/dbraw/zinc/40/16/53/1128401653.db2.gz	ULNKZMRQBJFFMS-GHXNOFRVSA-N	-1	0	272.325	3.687	20	30		CHEDRM
CCOc1cccc(/C=C2/Oc3cc(O)cc(C)c3C2=O)c1	ZINC000915988713	1128401702	/nfs/dbraw/zinc/40/17/02/1128401702.db2.gz	CQQIUUUOMALWLK-CXUHLZMHSA-N	-1	0	296.322	3.716	20	30		CHEDRM
CCOc1cccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)c1	ZINC000915988714	1128401787	/nfs/dbraw/zinc/40/17/87/1128401787.db2.gz	CQQIUUUOMALWLK-SXGWCWSVSA-N	-1	0	296.322	3.716	20	30		CHEDRM
Cc1cccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000915987461	1128401813	/nfs/dbraw/zinc/40/18/13/1128401813.db2.gz	DWUAAPZOXPUNST-JXMROGBWSA-N	-1	0	280.323	3.518	20	30		CHEDRM
Cc1ccccc1C[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000917556875	1128507125	/nfs/dbraw/zinc/50/71/25/1128507125.db2.gz	QDHVQRGDUQBWHQ-VBEHJTROSA-N	-1	0	298.342	3.659	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2cccc3c2CCCC3)cc1	ZINC000917551117	1128507296	/nfs/dbraw/zinc/50/72/96/1128507296.db2.gz	GILOJNMCPOXJTO-UHFFFAOYSA-N	-1	0	294.354	3.710	20	30		CHEDRM
N#Cc1cccc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)[O-])c1	ZINC000566495335	1128545441	/nfs/dbraw/zinc/54/54/41/1128545441.db2.gz	ZCJHRHGAWFUMAY-PKOBYXMFSA-N	-1	0	289.334	3.514	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)cc1)c1nc2ccccc2o1	ZINC000041546318	1128547072	/nfs/dbraw/zinc/54/70/72/1128547072.db2.gz	ULQYAZPJHYXXIB-GFCCVEGCSA-N	-1	0	296.713	3.971	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccsc1)c1nc2ccccc2o1	ZINC000920115551	1128666180	/nfs/dbraw/zinc/66/61/80/1128666180.db2.gz	GSAAQZMYNJJGMR-FOQNGQEVSA-N	-1	0	294.335	3.779	20	30		CHEDRM
CC1(C)CC(=NNc2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000920360241	1128677914	/nfs/dbraw/zinc/67/79/14/1128677914.db2.gz	VFPWOGIDXBMADW-UHFFFAOYSA-N	-1	0	294.354	3.882	20	30		CHEDRM
C[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C	ZINC000920943102	1128695410	/nfs/dbraw/zinc/69/54/10/1128695410.db2.gz	NMLWONCHPJZJMC-GOPYKCFCSA-N	-1	0	276.336	3.544	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(Cl)cc2F)c1	ZINC000920942511	1128695530	/nfs/dbraw/zinc/69/55/30/1128695530.db2.gz	HOHWVVXYMLLQKO-UHFFFAOYSA-N	-1	0	294.669	3.844	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2Cl)c1	ZINC000920942598	1128695563	/nfs/dbraw/zinc/69/55/63/1128695563.db2.gz	LKGRWAZSADKORT-SXGWCWSVSA-N	-1	0	290.706	3.573	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccccc1Cl	ZINC000920947630	1128696295	/nfs/dbraw/zinc/69/62/95/1128696295.db2.gz	OPHUJKBEZPXVQU-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCC1	ZINC000189448223	1128772770	/nfs/dbraw/zinc/77/27/70/1128772770.db2.gz	VBDZMMAIWPEEDF-UHFFFAOYSA-N	-1	0	288.372	3.801	20	30		CHEDRM
N#Cc1nc2ccc(Nc3ccccc3C(=O)[O-])cc2s1	ZINC001210967540	1118433662	/nfs/dbraw/zinc/43/36/62/1118433662.db2.gz	IFYJWMYFGDYMJW-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
N#Cc1ccc(-c2csc([N-]c3nccs3)n2)s1	ZINC001210989848	1118435658	/nfs/dbraw/zinc/43/56/58/1118435658.db2.gz	AVBUZVQIKOEDEG-UHFFFAOYSA-N	-1	0	290.398	3.943	20	30		CHEDRM
Cc1cccc2c1C/C(=C/c1cc(C(=O)[O-])cs1)C2=O	ZINC000782200559	1118503008	/nfs/dbraw/zinc/50/30/08/1118503008.db2.gz	MTWWKBZLCLLWLZ-YHYXMXQVSA-N	-1	0	284.336	3.577	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)c([O-])c1	ZINC000255270040	1118542216	/nfs/dbraw/zinc/54/22/16/1118542216.db2.gz	NFZVDWVLYKZSGC-HYXAFXHYSA-N	-1	0	289.312	3.566	20	30		CHEDRM
O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000076755615	1128787691	/nfs/dbraw/zinc/78/76/91/1128787691.db2.gz	NMDZNBOFJHUASU-UHFFFAOYSA-N	-1	0	295.404	3.692	20	30		CHEDRM
Cc1ncccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430608519	1118612417	/nfs/dbraw/zinc/61/24/17/1118612417.db2.gz	DIARNDSOXVMEKH-LBPRGKRZSA-N	-1	0	299.399	3.634	20	30		CHEDRM
CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)C	ZINC000076910385	1128793282	/nfs/dbraw/zinc/79/32/82/1128793282.db2.gz	RVQYFPQZYWFXCI-LBPRGKRZSA-N	-1	0	277.430	3.535	20	30		CHEDRM
C=CCCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000835010032	1118764470	/nfs/dbraw/zinc/76/44/70/1118764470.db2.gz	LXOQOGSXXLCCQN-UHFFFAOYSA-N	-1	0	276.311	3.668	20	30		CHEDRM
O=C(/C=C\c1cccc2nccn21)c1ccc([O-])c(Cl)c1	ZINC000588480244	1118910961	/nfs/dbraw/zinc/91/09/61/1118910961.db2.gz	DKWHWCKEBGFKDU-ALCCZGGFSA-N	-1	0	298.729	3.589	20	30		CHEDRM
CCOc1ccccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728438944	1118947303	/nfs/dbraw/zinc/94/73/03/1118947303.db2.gz	REZXZOSIOHPBKX-CLFYSBASSA-N	-1	0	286.302	3.826	20	30		CHEDRM
Cc1ccc(Nc2cccc(C)c2C#N)cc1C(=O)[O-]	ZINC001211601547	1119428402	/nfs/dbraw/zinc/42/84/02/1119428402.db2.gz	BCBLZGBBUIKKGV-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1C	ZINC001211623089	1119590788	/nfs/dbraw/zinc/59/07/88/1119590788.db2.gz	XCMXKISCLGOXTN-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1csc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001211647997	1120106378	/nfs/dbraw/zinc/10/63/78/1120106378.db2.gz	PQRRPTPEWXMCLM-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041546085	1120283768	/nfs/dbraw/zinc/28/37/68/1120283768.db2.gz	OEYKUUMHFRSKDR-ZDUSSCGKSA-N	-1	0	276.295	3.626	20	30		CHEDRM
C=CCCC(C)(C)CNC(=O)c1cc(Cl)ccc1O	ZINC000709393529	1120559268	/nfs/dbraw/zinc/55/92/68/1120559268.db2.gz	ZWECYDAIUPFXKY-UHFFFAOYSA-N	-1	0	281.783	3.768	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=CCCCC2)n1	ZINC000124593858	1120668862	/nfs/dbraw/zinc/66/88/62/1120668862.db2.gz	XIAPJVQODXWDNL-LBPRGKRZSA-N	-1	0	274.389	3.943	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc2cccnc21	ZINC001174856758	1121067671	/nfs/dbraw/zinc/06/76/71/1121067671.db2.gz	BJCAPBGZJBZGQK-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1onc(C(C)(C)C)c1C#N	ZINC001174981821	1121140038	/nfs/dbraw/zinc/14/00/38/1121140038.db2.gz	PTKBVJCPEGHOGP-UHFFFAOYSA-N	-1	0	299.330	3.594	20	30		CHEDRM
CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1	ZINC000619095329	1128966426	/nfs/dbraw/zinc/96/64/26/1128966426.db2.gz	RGGJFERXTUHWHE-HYWCIKMISA-N	-1	0	291.354	3.869	20	30		CHEDRM
C=CCC1(NC(=O)c2ccc([O-])c(Cl)c2)CCCC1	ZINC000619113237	1128968861	/nfs/dbraw/zinc/96/88/61/1128968861.db2.gz	FCLAFNUBQAVTAE-UHFFFAOYSA-N	-1	0	279.767	3.664	20	30		CHEDRM
C=CCC1(NC(=O)c2cccc(F)c2[O-])CCCCC1	ZINC001128926580	1121210000	/nfs/dbraw/zinc/21/00/00/1121210000.db2.gz	PIWLHANFKYUCNL-UHFFFAOYSA-N	-1	0	277.339	3.540	20	30		CHEDRM
CCOc1c(F)cccc1Nc1scc([O-])c1C#N	ZINC001212535440	1121262086	/nfs/dbraw/zinc/26/20/86/1121262086.db2.gz	WGNNOYFADNUVOK-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F	ZINC001175319406	1121280891	/nfs/dbraw/zinc/28/08/91/1121280891.db2.gz	XFKLBDDEJLIXDQ-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#CCc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175320121	1121281968	/nfs/dbraw/zinc/28/19/68/1121281968.db2.gz	OEWBIEZOBQSPSU-UHFFFAOYSA-N	-1	0	286.718	3.848	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1cccc(C(=O)[O-])c1	ZINC001175332537	1121288248	/nfs/dbraw/zinc/28/82/48/1121288248.db2.gz	TZZONZVWJYFRHH-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
COc1cccc(Nc2scc([O-])c2C#N)c1Cl	ZINC001175895023	1121480005	/nfs/dbraw/zinc/48/00/05/1121480005.db2.gz	VVXWLSSWHQMLGK-UHFFFAOYSA-N	-1	0	280.736	3.731	20	30		CHEDRM
C#Cc1cccc(Nc2ccc([S-])c(OC)c2)c1	ZINC001175978197	1121510640	/nfs/dbraw/zinc/51/06/40/1121510640.db2.gz	SFARLONGYKXHLX-UHFFFAOYSA-N	-1	0	255.342	3.709	20	30		CHEDRM
N#Cc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1F	ZINC001176590748	1121648616	/nfs/dbraw/zinc/64/86/16/1121648616.db2.gz	VWQWRTMIESFPMT-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
C#Cc1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176587975	1121648774	/nfs/dbraw/zinc/64/87/74/1121648774.db2.gz	FITALMUDFUXCRV-UHFFFAOYSA-N	-1	0	277.323	3.528	20	30		CHEDRM
C#Cc1ccccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595586	1121650152	/nfs/dbraw/zinc/65/01/52/1121650152.db2.gz	MLKWNJWXISLUJE-FMIVXFBMSA-N	-1	0	263.296	3.509	20	30		CHEDRM
Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001176592793	1121650400	/nfs/dbraw/zinc/65/04/00/1121650400.db2.gz	OXENEBVUQLKXEX-WEVVVXLNSA-N	-1	0	278.311	3.708	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176596060	1121651269	/nfs/dbraw/zinc/65/12/69/1121651269.db2.gz	VMFJORZCCGPYPA-JXMROGBWSA-N	-1	0	278.311	3.708	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176671556	1121673320	/nfs/dbraw/zinc/67/33/20/1121673320.db2.gz	GSQUVDYSRJASGK-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)cc1	ZINC001176726316	1121680955	/nfs/dbraw/zinc/68/09/55/1121680955.db2.gz	OBTUUGOXGSXYHJ-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
O=C([O-])c1cccc(N=NC(Cc2ccccc2)C2CC2)c1	ZINC000729141191	1121756311	/nfs/dbraw/zinc/75/63/11/1121756311.db2.gz	UTDLSRBJKKJULI-UHFFFAOYSA-N	-1	0	294.354	3.805	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)ccc1F	ZINC000730148117	1121795157	/nfs/dbraw/zinc/79/51/57/1121795157.db2.gz	BUFVQNIASLZGFC-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1C	ZINC000730149196	1121796142	/nfs/dbraw/zinc/79/61/42/1121796142.db2.gz	CSHSERWXTIIZLL-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)cc(C)c1	ZINC000730429881	1121807892	/nfs/dbraw/zinc/80/78/92/1121807892.db2.gz	KAEPTQKRTHUSFG-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000731159968	1121852054	/nfs/dbraw/zinc/85/20/54/1121852054.db2.gz	ZFDHGFKZRWHTQJ-AATRIKPKSA-N	-1	0	292.381	3.966	20	30		CHEDRM
N#Cc1ccccc1C1(C(=O)Nc2ccccc2[S-])CC1	ZINC001183294547	1122216428	/nfs/dbraw/zinc/21/64/28/1122216428.db2.gz	BLFMBMRUTXYEKA-UHFFFAOYSA-N	-1	0	294.379	3.517	20	30		CHEDRM
CC(C)(C)c1cccc(NC(=O)CCC(=O)C2=CC=C[CH]2)c1	ZINC001184245452	1122264779	/nfs/dbraw/zinc/26/47/79/1122264779.db2.gz	RKVAPUWRQBBTNC-UHFFFAOYSA-N	-1	0	296.390	3.972	20	30		CHEDRM
CC(C)c1ccccc1C(=O)Nc1ccc(O)c(C#N)c1	ZINC001190266027	1122531069	/nfs/dbraw/zinc/53/10/69/1122531069.db2.gz	YHVBWKZWDGDSTK-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436652716	1122568127	/nfs/dbraw/zinc/56/81/27/1122568127.db2.gz	QAXNOTCZFRRCNA-INIZCTEOSA-N	-1	0	275.348	3.526	20	30		CHEDRM
CC(C)c1ccccc1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193634313	1122702894	/nfs/dbraw/zinc/70/28/94/1122702894.db2.gz	BZTDEDRDNNCDFD-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
CC(C)c1ccccc1N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000426371138	1122775714	/nfs/dbraw/zinc/77/57/14/1122775714.db2.gz	MIIFBTZJZGBJCR-UHFFFAOYSA-N	-1	0	294.354	3.664	20	30		CHEDRM
C[C@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1C#N	ZINC001205691412	1122856275	/nfs/dbraw/zinc/85/62/75/1122856275.db2.gz	WKPTYAUBSBGQKN-LBPRGKRZSA-N	-1	0	281.311	3.534	20	30		CHEDRM
N#Cc1ccccc1NC(=S)Nc1ccc([S-])cc1	ZINC001196322657	1122917414	/nfs/dbraw/zinc/91/74/14/1122917414.db2.gz	QAGRGYOAVBCDEG-UHFFFAOYSA-N	-1	0	285.397	3.656	20	30		CHEDRM
O=C(/C=C/c1cc(Cl)c([O-])cc1Cl)c1ccncc1	ZINC000776188406	1123103479	/nfs/dbraw/zinc/10/34/79/1123103479.db2.gz	MXBLRRAYCMHFSO-OWOJBTEDSA-N	-1	0	294.137	3.990	20	30		CHEDRM
COc1cc(Nc2cc(C#N)ccc2OC)ccc1[S-]	ZINC001201590699	1123129115	/nfs/dbraw/zinc/12/91/15/1123129115.db2.gz	QLTVTBLAGUICRD-UHFFFAOYSA-N	-1	0	286.356	3.608	20	30		CHEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cc(F)cc(Cl)c1	ZINC000853396144	1123439620	/nfs/dbraw/zinc/43/96/20/1123439620.db2.gz	XQZLXHAQHNDXMS-UHFFFAOYSA-N	-1	0	298.745	3.912	20	30		CHEDRM
CSCCCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000860445113	1123733416	/nfs/dbraw/zinc/73/34/16/1123733416.db2.gz	LWYOOSRNDAQWRZ-UHFFFAOYSA-N	-1	0	292.404	3.516	20	30		CHEDRM
CCCCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000864358113	1123924512	/nfs/dbraw/zinc/92/45/12/1123924512.db2.gz	JUXOPYXPWLCXKC-UHFFFAOYSA-N	-1	0	254.717	3.626	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccsc1	ZINC000794934855	1124085458	/nfs/dbraw/zinc/08/54/58/1124085458.db2.gz	NTFVRBXFOVSKFA-ARJAWSKDSA-N	-1	0	286.352	3.959	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(Cl)cs1	ZINC000447358148	1124468138	/nfs/dbraw/zinc/46/81/38/1124468138.db2.gz	ZPSPHRJOZUOIBU-RQOWECAXSA-N	-1	0	290.731	3.537	20	30		CHEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])cc2F)c2ccccc12	ZINC001239244830	1131306567	/nfs/dbraw/zinc/30/65/67/1131306567.db2.gz	FQJMEXGPWJMRPV-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
Cc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001239353131	1131321614	/nfs/dbraw/zinc/32/16/14/1131321614.db2.gz	MENHFPCGGUVUQI-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
CC[C@H](C)CON=c1nccc(Oc2cccc(C#N)c2)[n-]1	ZINC000882392935	1125344973	/nfs/dbraw/zinc/34/49/73/1125344973.db2.gz	UZYCTBHZXJMGGJ-LBPRGKRZSA-N	-1	0	298.346	3.530	20	30		CHEDRM
COCc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000132650259	1125420566	/nfs/dbraw/zinc/42/05/66/1125420566.db2.gz	DXNXHGQZGZOFFS-SOFGYWHQSA-N	-1	0	286.302	3.574	20	30		CHEDRM
Cc1ccc(C=CC(=O)c2sccc2[O-])cc1[N+](=O)[O-]	ZINC000184516269	1129209531	/nfs/dbraw/zinc/20/95/31/1129209531.db2.gz	WQADIEABQGSEBX-SNAWJCMRSA-N	-1	0	289.312	3.566	20	30		CHEDRM
O=C1c2ccc(O)cc2C/C1=C\c1cc(F)c(F)c(F)c1	ZINC000187222815	1129281929	/nfs/dbraw/zinc/28/19/29/1129281929.db2.gz	DBTIHZJWEPYYKB-XCVCLJGOSA-N	-1	0	290.240	3.632	20	30		CHEDRM
Cc1cccc(C(C)N=Nc2ccccc2C(=O)[O-])c1C	ZINC000734297373	1129300004	/nfs/dbraw/zinc/30/00/04/1129300004.db2.gz	YSERWQRIJJUMOT-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
N#Cc1cnc2cc(-c3ccc(C(=O)[O-])s3)ccc2c1	ZINC001240850204	1129377126	/nfs/dbraw/zinc/37/71/26/1129377126.db2.gz	ZVKXWKIMVDXDPJ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
Cc1ccccc1CC(C)N=Nc1ccccc1C(=O)[O-]	ZINC000743430553	1129522752	/nfs/dbraw/zinc/52/27/52/1129522752.db2.gz	KIQMWJRQMMHHLA-UHFFFAOYSA-N	-1	0	282.343	3.724	20	30		CHEDRM
CCCCCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000253624154	1129653307	/nfs/dbraw/zinc/65/33/07/1129653307.db2.gz	AKXDJFXEMVBEFU-ZNMIVQPWSA-N	-1	0	295.423	3.591	20	30		CHEDRM
Cc1cc(C#N)c(-c2ccc([O-])c(C(F)(F)F)c2)nc1C	ZINC001242151223	1129663636	/nfs/dbraw/zinc/66/36/36/1129663636.db2.gz	HUCSXILDUYGLQE-UHFFFAOYSA-N	-1	0	292.260	3.962	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)ccc1C#N	ZINC000766491411	1129670450	/nfs/dbraw/zinc/67/04/50/1129670450.db2.gz	OSRQEFCFILDNTD-HYXAFXHYSA-N	-1	0	297.335	3.523	20	30		CHEDRM
Cc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)ccc1C#N	ZINC000766491360	1129670478	/nfs/dbraw/zinc/67/04/78/1129670478.db2.gz	OHDDGARLYQCAPU-SNCPXTGUSA-N	-1	0	296.351	3.591	20	30		CHEDRM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1	ZINC000254744721	1129708039	/nfs/dbraw/zinc/70/80/39/1129708039.db2.gz	VAZKCLAFKYKTIY-UHFFFAOYSA-N	-1	0	298.346	3.629	20	30		CHEDRM
COc1ccc(NN=C(C)c2sccc2[O-])cc1Cl	ZINC000769803156	1129926047	/nfs/dbraw/zinc/92/60/47/1129926047.db2.gz	VSXAEQFJSCEXSN-UHFFFAOYSA-N	-1	0	296.779	3.952	20	30		CHEDRM
O=C([O-])c1csc(C=NNc2c(F)cccc2Cl)c1	ZINC000769829134	1129928395	/nfs/dbraw/zinc/92/83/95/1129928395.db2.gz	BCKBHGHJEUDFCO-UHFFFAOYSA-N	-1	0	298.726	3.685	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2cc(F)cc(F)c2)c1	ZINC001239655802	1130035651	/nfs/dbraw/zinc/03/56/51/1130035651.db2.gz	KXCGNOCJXJIUDQ-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2coc3ccccc23)cc1	ZINC000746557414	1130051877	/nfs/dbraw/zinc/05/18/77/1130051877.db2.gz	CUAAWDJHFQJMDL-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
COc1cc(-c2cc(Cl)c([O-])c(Cl)c2)ncc1C#N	ZINC001242850023	1130089920	/nfs/dbraw/zinc/08/99/20/1130089920.db2.gz	YSQPQVGDYJXXJH-UHFFFAOYSA-N	-1	0	295.125	3.641	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCC=CO1	ZINC000780149904	1130218746	/nfs/dbraw/zinc/21/87/46/1130218746.db2.gz	POFVEEZIVLHESH-JRUYLCMPSA-N	-1	0	286.158	3.811	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cn3cc(C)ccc3n2)c([O-])c1	ZINC000789142230	1130233202	/nfs/dbraw/zinc/23/32/02/1130233202.db2.gz	IUJVBVJEIPCEIF-FNORWQNLSA-N	-1	0	292.338	3.553	20	30		CHEDRM
CC(Cc1ccccc1F)N=Nc1ccccc1C(=O)[O-]	ZINC000780201534	1130241543	/nfs/dbraw/zinc/24/15/43/1130241543.db2.gz	MMEPUSYTZSAOJF-UHFFFAOYSA-N	-1	0	286.306	3.554	20	30		CHEDRM
Cc1cccnc1NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000790184706	1130294985	/nfs/dbraw/zinc/29/49/85/1130294985.db2.gz	AGDNNVAJWKZITF-UHFFFAOYSA-N	-1	0	296.157	3.848	20	30		CHEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(C)c2)ccc1CC#N	ZINC001243214423	1130322302	/nfs/dbraw/zinc/32/23/02/1130322302.db2.gz	AZAIQZFBVHVINE-UHFFFAOYSA-N	-1	0	265.312	3.735	20	30		CHEDRM
O=C(C=Cc1ccnn1-c1ccccc1)c1sccc1[O-]	ZINC000790607826	1130323021	/nfs/dbraw/zinc/32/30/21/1130323021.db2.gz	AGZMHEVMMSVTHP-VOTSOKGWSA-N	-1	0	296.351	3.536	20	30		CHEDRM
N#CCCc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001240549473	1130352679	/nfs/dbraw/zinc/35/26/79/1130352679.db2.gz	KMFBSZWPSNQHMJ-DHZHZOJOSA-N	-1	0	277.323	3.908	20	30		CHEDRM
C#C[C@H](CC)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000792570974	1130459966	/nfs/dbraw/zinc/45/99/66/1130459966.db2.gz	VPBCYDJQNJDBGI-CBQSTYFFSA-N	-1	0	256.132	3.530	20	30		CHEDRM
Cc1ccc(-c2ccc(C(=O)[O-])s2)c(C)c1C#N	ZINC001240847217	1130492063	/nfs/dbraw/zinc/49/20/63/1130492063.db2.gz	DNTCTHCXWJTPBE-UHFFFAOYSA-N	-1	0	257.314	3.602	20	30		CHEDRM
CC1(CNN=Cc2ccc(C(=O)[O-])cc2Cl)CCCC1	ZINC000793085033	1130517687	/nfs/dbraw/zinc/51/76/87/1130517687.db2.gz	VLHMMQPHMVTXAC-UHFFFAOYSA-N	-1	0	294.782	3.542	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2[nH]cc(C#N)c2c1	ZINC001241001556	1130559082	/nfs/dbraw/zinc/55/90/82/1130559082.db2.gz	FDVBKTVGQXIUOR-UHFFFAOYSA-N	-1	0	276.295	3.713	20	30		CHEDRM
C=CCCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000758068634	1130596235	/nfs/dbraw/zinc/59/62/35/1130596235.db2.gz	ILVVAXAKNXULFX-UHFFFAOYSA-N	-1	0	266.728	3.792	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)c([O-])c1	ZINC000811694697	1130639407	/nfs/dbraw/zinc/63/94/07/1130639407.db2.gz	YPSVMTRPLACSDP-SOFGYWHQSA-N	-1	0	281.286	3.608	20	30		CHEDRM
Cc1[nH]c(C=NNc2c(C)cccc2C(C)C)cc1C(=O)[O-]	ZINC000812232281	1130675136	/nfs/dbraw/zinc/67/51/36/1130675136.db2.gz	BFCWXJBFKGKXST-UHFFFAOYSA-N	-1	0	299.374	3.899	20	30		CHEDRM
C=CC[C@H](CCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234813020	1130677787	/nfs/dbraw/zinc/67/77/87/1130677787.db2.gz	DGZVJQSFOPHRAJ-CYBMUJFWSA-N	-1	0	288.343	3.931	20	30		CHEDRM
COc1ccc(F)cc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000812243060	1130678487	/nfs/dbraw/zinc/67/84/87/1130678487.db2.gz	BOPXKSUBNDBETL-DJWKRKHSSA-N	-1	0	290.265	3.575	20	30		CHEDRM
C=C[C@]1(C)CC[C@H](Oc2nc3sccc3[nH]2)C(C)(C)O1	ZINC001234848185	1130681448	/nfs/dbraw/zinc/68/14/48/1130681448.db2.gz	MUPPKWRSHAOPCU-XHDPSFHLSA-N	-1	0	292.404	3.906	20	30		CHEDRM
C=CCC[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccccc1	ZINC000812399832	1130686946	/nfs/dbraw/zinc/68/69/46/1130686946.db2.gz	VWTFPOWQUWINKK-DPQIITEBSA-N	-1	0	279.767	3.537	20	30		CHEDRM
Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)cc(C)c1C#N	ZINC001235457978	1130746196	/nfs/dbraw/zinc/74/61/96/1130746196.db2.gz	FWIIRCPDXXHSFI-VMPITWQZSA-N	-1	0	277.323	3.940	20	30		CHEDRM
CCc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)s1	ZINC000782201369	1130762514	/nfs/dbraw/zinc/76/25/14/1130762514.db2.gz	TUMQAZAOZYGFFO-HYXAFXHYSA-N	-1	0	292.381	3.966	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])cs1)CC2	ZINC000782207306	1130762954	/nfs/dbraw/zinc/76/29/54/1130762954.db2.gz	NHZPBIJYUMMGBQ-GHXNOFRVSA-N	-1	0	298.363	3.967	20	30		CHEDRM
O=C(/C=C/c1ccc2cnccc2c1)c1cc(F)ccc1[O-]	ZINC000782348594	1130775093	/nfs/dbraw/zinc/77/50/93/1130775093.db2.gz	SZVWHYOZGFKAJZ-GORDUTHDSA-N	-1	0	293.297	3.976	20	30		CHEDRM
N#Cc1cc(-c2ccc3oc(=S)[n-]c3c2)ccc1F	ZINC001235894861	1130796519	/nfs/dbraw/zinc/79/65/19/1130796519.db2.gz	SWUGZABZMLZVAW-UHFFFAOYSA-N	-1	0	270.288	3.794	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC1CC(c2ccccc2)C1	ZINC000814768442	1130908823	/nfs/dbraw/zinc/90/88/23/1130908823.db2.gz	BJEYNUXWSQVLHL-UHFFFAOYSA-N	-1	0	280.327	3.730	20	30		CHEDRM
C[C@H]1C(=NOCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814792479	1130912061	/nfs/dbraw/zinc/91/20/61/1130912061.db2.gz	RMODEHUESXJSHP-GXTWGEPZSA-N	-1	0	289.375	3.716	20	30		CHEDRM
CCc1ccccc1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000814802216	1130912819	/nfs/dbraw/zinc/91/28/19/1130912819.db2.gz	WOXUPZVSZYOULK-UHFFFAOYSA-N	-1	0	274.364	3.682	20	30		CHEDRM
C[C@@H]1C(=NOC2CCCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814910143	1130929627	/nfs/dbraw/zinc/92/96/27/1130929627.db2.gz	QYGZPMHLKKNQDF-YPMHNXCESA-N	-1	0	281.396	3.849	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cc(Cl)ccn1	ZINC000814897660	1130931193	/nfs/dbraw/zinc/93/11/93/1130931193.db2.gz	BFKFDBIRESATMO-UHFFFAOYSA-N	-1	0	297.786	3.948	20	30		CHEDRM
CCC(CC)CNN=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814906352	1130933793	/nfs/dbraw/zinc/93/37/93/1130933793.db2.gz	QUPHGVORTJCMMK-KGLIPLIRSA-N	-1	0	282.428	3.525	20	30		CHEDRM
CC1(CNN=Cc2cccc(C(=O)[O-])c2Cl)CCCC1	ZINC000814938278	1130940837	/nfs/dbraw/zinc/94/08/37/1130940837.db2.gz	YRHMOGVHQZRANW-UHFFFAOYSA-N	-1	0	294.782	3.542	20	30		CHEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])cc2Cl)nc1C	ZINC001245371710	1130953573	/nfs/dbraw/zinc/95/35/73/1130953573.db2.gz	QJDNYLDAXDLGOX-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
COc1ccc(C#N)cc1-c1ccc([S-])c(C)c1F	ZINC001236546876	1130971500	/nfs/dbraw/zinc/97/15/00/1130971500.db2.gz	ORVDDZANKMDIIZ-UHFFFAOYSA-N	-1	0	273.332	3.970	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=CCCC2)s1	ZINC000797572282	1130993638	/nfs/dbraw/zinc/99/36/38/1130993638.db2.gz	XASIRXQOUYYYLL-NSHDSACASA-N	-1	0	274.389	3.727	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)N[C@](C)(CCCCCC)C(=O)[O-]	ZINC000799244686	1131077266	/nfs/dbraw/zinc/07/72/66/1131077266.db2.gz	GIPGOSUBPGCLJO-CZUORRHYSA-N	-1	0	283.412	3.519	20	30		CHEDRM
N#Cc1c2c(cnc1-c1cc(Cl)c([O-])cc1F)CCC2	ZINC001245670043	1131122563	/nfs/dbraw/zinc/12/25/63/1131122563.db2.gz	MXSUZXKCRKMMNL-UHFFFAOYSA-N	-1	0	288.709	3.607	20	30		CHEDRM
N#C[C@H]1CC[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000818991239	1131224244	/nfs/dbraw/zinc/22/42/44/1131224244.db2.gz	ABCPZVYGUXIKDA-MGIXRURHSA-N	-1	0	283.158	3.810	20	30		CHEDRM
C=CC[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000844562710	1131580309	/nfs/dbraw/zinc/58/03/09/1131580309.db2.gz	JEQJJYLBOZANKY-NSHDSACASA-N	-1	0	258.321	3.529	20	30		CHEDRM
Cc1c(N=NC[C@H]2CC[C@@H](C)C2)cccc1C(=O)[O-]	ZINC000844622572	1131586090	/nfs/dbraw/zinc/58/60/90/1131586090.db2.gz	GHAJOCXNBNCLEW-PWSUYJOCSA-N	-1	0	260.337	3.527	20	30		CHEDRM
C#CCCCCCCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844623087	1131586348	/nfs/dbraw/zinc/58/63/48/1131586348.db2.gz	KAQCOMZFJMLEGK-UHFFFAOYSA-N	-1	0	272.348	3.675	20	30		CHEDRM
Cc1c(N=NC2CCC(C)(C)C2)cccc1C(=O)[O-]	ZINC000844625226	1131586914	/nfs/dbraw/zinc/58/69/14/1131586914.db2.gz	WWHHDCFRHFMZKM-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)C1(Sc2ccccc2)CCCC1	ZINC000846546157	1131713266	/nfs/dbraw/zinc/71/32/66/1131713266.db2.gz	SHQBGKTWUANOHP-CYBMUJFWSA-N	-1	0	291.416	3.714	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCCCC2)cc1F	ZINC000835009972	1131753521	/nfs/dbraw/zinc/75/35/21/1131753521.db2.gz	JTEGXUPSCADCET-UHFFFAOYSA-N	-1	0	264.300	3.646	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCCF)c(F)c1	ZINC000835008281	1131754300	/nfs/dbraw/zinc/75/43/00/1131754300.db2.gz	ICWSQSCGZHCIRY-JTQLQIEISA-N	-1	0	296.317	3.842	20	30		CHEDRM
CC(=O)/C=C/c1ccc(O[C@H](C)C2=CC=C[CH]2)cc1	ZINC001228497538	1131897969	/nfs/dbraw/zinc/89/79/69/1131897969.db2.gz	VKIHBWSFDGBYBP-HSBSLETESA-N	-1	0	253.321	3.757	20	30		CHEDRM
N#Cc1ncc(Nc2c([S-])cccc2Cl)cc1F	ZINC001203062268	1131905276	/nfs/dbraw/zinc/90/52/76/1131905276.db2.gz	JLNXCKDMKBRNFQ-UHFFFAOYSA-N	-1	0	279.727	3.778	20	30		CHEDRM
C=CCO[N-]C(=O)C1(Sc2ccc(C)cc2)CCCC1	ZINC001140879929	1131957106	/nfs/dbraw/zinc/95/71/06/1131957106.db2.gz	UIGBYUJLLONNFV-UHFFFAOYSA-N	-1	0	291.416	3.634	20	30		CHEDRM
O=C(C=Cc1cc(F)c(F)cc1F)c1sccc1[O-]	ZINC000773142879	1131960456	/nfs/dbraw/zinc/96/04/56/1131960456.db2.gz	HGTHXZNYMRVTQO-UPHRSURJSA-N	-1	0	284.258	3.767	20	30		CHEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1C	ZINC000773144071	1131960948	/nfs/dbraw/zinc/96/09/48/1131960948.db2.gz	WBBBOQFNKYNOKB-AATRIKPKSA-N	-1	0	274.341	3.667	20	30		CHEDRM
O=C(C=Cc1nccc2ccccc12)c1sccc1[O-]	ZINC000773147895	1131962623	/nfs/dbraw/zinc/96/26/23/1131962623.db2.gz	CSVMXWNGNNZCBT-WAYWQWQTSA-N	-1	0	281.336	3.898	20	30		CHEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1csc(Cl)c1	ZINC001228899284	1131975079	/nfs/dbraw/zinc/97/50/79/1131975079.db2.gz	UCXYWCUYBFDDHN-ZETCQYMHSA-N	-1	0	280.736	3.514	20	30		CHEDRM
CCC[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccc(OC)cc1	ZINC001228902576	1131975873	/nfs/dbraw/zinc/97/58/73/1131975873.db2.gz	RYLUOVKGSOAAIO-HNNXBMFYSA-N	-1	0	298.342	3.588	20	30		CHEDRM
CC1=CCC[C@@H](C)[C@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000773180660	1131978085	/nfs/dbraw/zinc/97/80/85/1131978085.db2.gz	PSABMQQXMBTTTO-DOMZBBRYSA-N	-1	0	272.348	3.775	20	30		CHEDRM
CC1=CCC[C@H](C)[C@@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000773191540	1131982490	/nfs/dbraw/zinc/98/24/90/1131982490.db2.gz	UFQGXBBURLQMBC-GXTWGEPZSA-N	-1	0	272.348	3.775	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@@H](C)c1cc(C)cnc1F	ZINC001229737919	1132112240	/nfs/dbraw/zinc/11/22/40/1132112240.db2.gz	FMJPPHTZHROIGW-MKFNJMOCSA-N	-1	0	288.322	3.867	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@H](C(C)C)C(F)(F)F	ZINC001229736754	1132112807	/nfs/dbraw/zinc/11/28/07/1132112807.db2.gz	JGUGRAKCOUNBIB-UDPFGDFPSA-N	-1	0	275.270	3.851	20	30		CHEDRM
Cc1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C)CC(C)(C)S	ZINC001230887820	1132223524	/nfs/dbraw/zinc/22/35/24/1132223524.db2.gz	DYERIWKZRYTSJX-JTQLQIEISA-N	-1	0	292.404	3.510	20	30		CHEDRM
CC1(C)OCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840705179	1132271697	/nfs/dbraw/zinc/27/16/97/1132271697.db2.gz	CINASQXALJGIRP-JRUYLCMPSA-N	-1	0	288.174	3.685	20	30		CHEDRM
CC[C@](C)(C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000840706425	1132272114	/nfs/dbraw/zinc/27/21/14/1132272114.db2.gz	IEHCAPMEBYSQIJ-DFWYYUMKSA-N	-1	0	290.190	3.933	20	30		CHEDRM
C[C@H](Oc1ccc2ccc(C#N)cc2n1)C1=CC=C[CH]1	ZINC001231368571	1132286787	/nfs/dbraw/zinc/28/67/87/1132286787.db2.gz	WDOZTWQDISEXRQ-LBPRGKRZSA-N	-1	0	261.304	3.574	20	30		CHEDRM
N#Cc1c(Nc2ccsc2C(=O)[O-])sc2c1CCC2	ZINC001215384099	1132306300	/nfs/dbraw/zinc/30/63/00/1132306300.db2.gz	YUMJCFLHAQFBDF-UHFFFAOYSA-N	-1	0	290.369	3.612	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CCC[C@@H]3C[C@@H]32)ccc1Cl	ZINC000841601979	1132376043	/nfs/dbraw/zinc/37/60/43/1132376043.db2.gz	AVOLULGZFKCZKD-SCZZXKLOSA-N	-1	0	278.739	3.626	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc(C2CC2)cs1	ZINC000842939807	1132478731	/nfs/dbraw/zinc/47/87/31/1132478731.db2.gz	XXHVIYZQEPQKQV-FJOGCWAESA-N	-1	0	284.340	3.503	20	30		CHEDRM
N#C[C@H]1CCCCN1Cc1ccc(Cl)c([O-])c1Cl	ZINC001232627612	1132498069	/nfs/dbraw/zinc/49/80/69/1132498069.db2.gz	LQTATEVGTMZUPE-SNVBAGLBSA-N	-1	0	285.174	3.577	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1n[n-]c(=O)cc1Cl	ZINC001233589136	1132644152	/nfs/dbraw/zinc/64/41/52/1132644152.db2.gz	IRJQQCOYABADNQ-SCVCMEIPSA-N	-1	0	282.771	3.595	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1C#N	ZINC001233919267	1132698012	/nfs/dbraw/zinc/69/80/12/1132698012.db2.gz	CKWAPZSMXVIGBF-MGPQQGTHSA-N	-1	0	286.375	3.705	20	30		CHEDRM
CCCC[C@@H](CCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919440	1132698061	/nfs/dbraw/zinc/69/80/61/1132698061.db2.gz	QFROPGDEVIWGRR-GFCCVEGCSA-N	-1	0	262.353	3.705	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H]2CC[C@@H](C(C)(C)C)CC2)c1C#N	ZINC001233919447	1132698783	/nfs/dbraw/zinc/69/87/83/1132698783.db2.gz	RBYUPUXRORGERE-BETUJISGSA-N	-1	0	288.391	3.951	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)c(C#N)c1	ZINC001174402893	1132816739	/nfs/dbraw/zinc/81/67/39/1132816739.db2.gz	ZQKMMRFWERBKLU-UHFFFAOYSA-N	-1	0	275.720	3.594	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F	ZINC001174496418	1132862200	/nfs/dbraw/zinc/86/22/00/1132862200.db2.gz	LJSVOZABHGEEGD-QPJJXVBHSA-N	-1	0	282.274	3.539	20	30		CHEDRM
Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1C#N	ZINC001174499631	1132866138	/nfs/dbraw/zinc/86/61/38/1132866138.db2.gz	HDDQTADQJUAKIY-VMPITWQZSA-N	-1	0	278.311	3.708	20	30		CHEDRM
C=CCN(C(=O)c1c([O-])cccc1Cl)c1ccccc1	ZINC001160489967	1132972432	/nfs/dbraw/zinc/97/24/32/1132972432.db2.gz	WNECHYPQHNGWBX-UHFFFAOYSA-N	-1	0	287.746	3.878	20	30		CHEDRM
N#C[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203579741	1133341586	/nfs/dbraw/zinc/34/15/86/1133341586.db2.gz	CYHFXPKKQGMXQW-NSHDSACASA-N	-1	0	285.174	3.577	20	30		CHEDRM
N#Cc1ccc(-c2ccncc2)nc1-c1ccc([O-])cc1F	ZINC001206037068	1133645913	/nfs/dbraw/zinc/64/59/13/1133645913.db2.gz	CALDEYFKPQEKML-UHFFFAOYSA-N	-1	0	291.285	3.527	20	30		CHEDRM
N#Cc1cc(-c2cc(F)c([O-])cc2F)nc2ccccc12	ZINC001206767831	1133745542	/nfs/dbraw/zinc/74/55/42/1133745542.db2.gz	KIMSBVMHRXNSCS-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
COc1ccc(Nc2c(C)ccc(C)c2C#N)cc1C(=O)[O-]	ZINC001209904958	1134098647	/nfs/dbraw/zinc/09/86/47/1134098647.db2.gz	SKRZNFNQRQENMR-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
COc1cc(Cl)ccc1Nc1scc([O-])c1C#N	ZINC001209910372	1134101096	/nfs/dbraw/zinc/10/10/96/1134101096.db2.gz	XGAXPNRNVKJYHE-UHFFFAOYSA-N	-1	0	280.736	3.731	20	30		CHEDRM
C#Cc1ccccc1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210008450	1134121279	/nfs/dbraw/zinc/12/12/79/1134121279.db2.gz	XYLURWGGRSRDFR-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210241446	1134176703	/nfs/dbraw/zinc/17/67/03/1134176703.db2.gz	DAGJDUYLHHFHCR-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cc(C(=O)[O-])ccc1OC	ZINC001210258952	1134179476	/nfs/dbraw/zinc/17/94/76/1134179476.db2.gz	WEWAYTJTUVYLAV-UHFFFAOYSA-N	-1	0	296.326	3.571	20	30		CHEDRM
N#Cc1sccc1Nc1cccc([O-])c1Cl	ZINC001210851853	1134311391	/nfs/dbraw/zinc/31/13/91/1134311391.db2.gz	NXTUFSZRQHJFSB-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
Cc1oc(Nc2cccc([O-])c2Cl)c(C#N)c1C	ZINC001210851610	1134312415	/nfs/dbraw/zinc/31/24/15/1134312415.db2.gz	GFPBWNBUOCQPTN-UHFFFAOYSA-N	-1	0	262.696	3.871	20	30		CHEDRM
CSc1ccc(Nc2scc([O-])c2C#N)c(F)c1	ZINC001210877161	1134322731	/nfs/dbraw/zinc/32/27/31/1134322731.db2.gz	UKQYBDUOMPKAGK-UHFFFAOYSA-N	-1	0	280.349	3.930	20	30		CHEDRM
N#Cc1ccnc(Nc2cc(Cl)c([O-])c(Cl)c2)c1	ZINC001210923232	1134327952	/nfs/dbraw/zinc/32/79/52/1134327952.db2.gz	ODOUNRVQURVFOL-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1ccc(Nc2ccc3[n-]c(=S)sc3c2)c(N)c1	ZINC001213361166	1134443655	/nfs/dbraw/zinc/44/36/55/1134443655.db2.gz	GSQJINJEGLBQBD-UHFFFAOYSA-N	-1	0	298.396	3.782	20	30		CHEDRM
Cc1ncc(C2CC2)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001213500942	1134456332	/nfs/dbraw/zinc/45/63/32/1134456332.db2.gz	FFCNSSHHQGPPTQ-UHFFFAOYSA-N	-1	0	283.306	3.727	20	30		CHEDRM
CCOc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1C	ZINC001214328227	1134529525	/nfs/dbraw/zinc/52/95/25/1134529525.db2.gz	SEHGKTGESGICRV-UHFFFAOYSA-N	-1	0	286.306	3.854	20	30		CHEDRM
COc1ccc(C)c(F)c1Nc1scc([O-])c1C#N	ZINC001214627022	1134558529	/nfs/dbraw/zinc/55/85/29/1134558529.db2.gz	DQWVEVOOHIGNFW-UHFFFAOYSA-N	-1	0	278.308	3.525	20	30		CHEDRM
CC(=O)c1ccc(F)c(Nc2scc([O-])c2C#N)c1F	ZINC001214755417	1134568150	/nfs/dbraw/zinc/56/81/50/1134568150.db2.gz	FWTMCPCSYLLNTC-UHFFFAOYSA-N	-1	0	294.282	3.550	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)c(F)c1	ZINC001214798911	1134575334	/nfs/dbraw/zinc/57/53/34/1134575334.db2.gz	AXSMTVNRYKYPPH-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
COc1ccc(C#N)cc1Nc1ccc(Cl)c([O-])c1F	ZINC001214803671	1134575537	/nfs/dbraw/zinc/57/55/37/1134575537.db2.gz	CBWQSSGFZWCNOR-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1ccc(F)c(-c2noc(-c3ccc([S-])cc3)n2)c1	ZINC001215307544	1134617118	/nfs/dbraw/zinc/61/71/18/1134617118.db2.gz	DJRBSMFUJUYETD-UHFFFAOYSA-N	-1	0	297.314	3.703	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccsc1C(=O)[O-]	ZINC001215393918	1134622767	/nfs/dbraw/zinc/62/27/67/1134622767.db2.gz	ALISEFJLWTXMSX-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccsc1C(=O)[O-]	ZINC001215392180	1134622812	/nfs/dbraw/zinc/62/28/12/1134622812.db2.gz	WQODIAZCORHYPN-UHFFFAOYSA-N	-1	0	272.329	3.624	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001215613961	1134654236	/nfs/dbraw/zinc/65/42/36/1134654236.db2.gz	WYUMMBIVPNMZGJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1ccsc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215694912	1134660393	/nfs/dbraw/zinc/66/03/93/1134660393.db2.gz	QRXOQZGFPLJVPY-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
Cc1c(Cl)c(Nc2ccc(C#N)cc2)ccc1C(=O)[O-]	ZINC001215692718	1134660825	/nfs/dbraw/zinc/66/08/25/1134660825.db2.gz	NILIQEVQCFZKDR-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(OC(C)C)ncc1Nc1scc([O-])c1C#N	ZINC001215770728	1134682085	/nfs/dbraw/zinc/68/20/85/1134682085.db2.gz	IDAZJFWVWOWIAD-UHFFFAOYSA-N	-1	0	289.360	3.560	20	30		CHEDRM
CSc1ccc(F)c([N-]c2onc(C)c2C#N)c1F	ZINC001215836693	1134698248	/nfs/dbraw/zinc/69/82/48/1134698248.db2.gz	ABPHRYALDMMLAH-UHFFFAOYSA-N	-1	0	281.287	3.598	20	30		CHEDRM
COc1ccc(Nc2scc([O-])c2C#N)c(C)c1C	ZINC001215973657	1134737191	/nfs/dbraw/zinc/73/71/91/1134737191.db2.gz	VGHHUURNSPEKKD-UHFFFAOYSA-N	-1	0	274.345	3.694	20	30		CHEDRM
Cc1cc(Cl)c(N)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001216098614	1134776880	/nfs/dbraw/zinc/77/68/80/1134776880.db2.gz	XUOPXZJQKMYIAJ-UHFFFAOYSA-N	-1	0	291.713	3.691	20	30		CHEDRM
C#Cc1cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)ccc1F	ZINC001216312028	1134846917	/nfs/dbraw/zinc/84/69/17/1134846917.db2.gz	XONVHNQDKZYGII-UHFFFAOYSA-N	-1	0	283.302	3.866	20	30		CHEDRM
Cc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001216311473	1134847068	/nfs/dbraw/zinc/84/70/68/1134847068.db2.gz	KFQZDJUPTZYJST-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1cc(Nc2ccc(F)c(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001216311540	1134847187	/nfs/dbraw/zinc/84/71/87/1134847187.db2.gz	NIYHPCYFZIUDPZ-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1c(F)ccc(F)c1Nc1scc([O-])c1C#N	ZINC001216342891	1134862971	/nfs/dbraw/zinc/86/29/71/1134862971.db2.gz	UIIOBRYGXMLQGR-UHFFFAOYSA-N	-1	0	266.272	3.656	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1C	ZINC001216661055	1134941410	/nfs/dbraw/zinc/94/14/10/1134941410.db2.gz	ZGGOUSJSMRTWAO-UHFFFAOYSA-N	-1	0	280.327	3.871	20	30		CHEDRM
O=C(C=Cc1nc(-c2ccccc2)c[nH]1)c1sccc1[O-]	ZINC000193148926	1135149679	/nfs/dbraw/zinc/14/96/79/1135149679.db2.gz	BLHQASXVZIPEFJ-VOTSOKGWSA-N	-1	0	296.351	3.740	20	30		CHEDRM
N#CCc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1F	ZINC001222403118	1135236896	/nfs/dbraw/zinc/23/68/96/1135236896.db2.gz	LSSRVVPQNTZDRX-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C=CCn1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001222400239	1135236938	/nfs/dbraw/zinc/23/69/38/1135236938.db2.gz	JNAGHJOHOSXHLP-FBCYGCLPSA-N	-1	0	295.264	3.563	20	30		CHEDRM
[O-]/N=C(\Cl)c1ccccc1C(F)(F)OC1CC=CC1	ZINC001222940242	1135286477	/nfs/dbraw/zinc/28/64/77/1135286477.db2.gz	ORMCBVUEWFTWHQ-ATVHPVEESA-N	-1	0	287.693	3.846	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccccn1	ZINC001223592524	1135363352	/nfs/dbraw/zinc/36/33/52/1135363352.db2.gz	BITGOYWATMLZAV-BXWLNTHASA-N	-1	0	276.723	3.649	20	30		CHEDRM
[O-]/N=C(\O[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1	ZINC001223592930	1135364036	/nfs/dbraw/zinc/36/40/36/1135364036.db2.gz	GTJPCTZZZGFIJG-QTFVRGKZSA-N	-1	0	275.682	3.680	20	30		CHEDRM
C=CC[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001225620644	1135598142	/nfs/dbraw/zinc/59/81/42/1135598142.db2.gz	RZFPAGRMFDFJTO-AWEZNQCLSA-N	-1	0	285.299	3.997	20	30		CHEDRM
C#C[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)c1ccccc1	ZINC001225880527	1135633277	/nfs/dbraw/zinc/63/32/77/1135633277.db2.gz	VWULRECLVKYNFG-VIFPVBQESA-N	-1	0	296.219	3.702	20	30		CHEDRM
CCOc1ccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226222393	1135673812	/nfs/dbraw/zinc/67/38/12/1135673812.db2.gz	ZSOGKJHGGSAORH-LBPRGKRZSA-N	-1	0	298.342	3.506	20	30		CHEDRM
CC[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1F	ZINC001226222687	1135673856	/nfs/dbraw/zinc/67/38/56/1135673856.db2.gz	GOADTZJLKVCFLI-CQSZACIVSA-N	-1	0	286.306	3.637	20	30		CHEDRM
C=CC[C@@H](CCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556440	1135712284	/nfs/dbraw/zinc/71/22/84/1135712284.db2.gz	NMONOLLBOSZUDX-VIFPVBQESA-N	-1	0	293.754	3.507	20	30		CHEDRM
C=CCc1c(O)ccc(C(C)=O)c1O[C@@H](C)C1CC1	ZINC001227118272	1135787612	/nfs/dbraw/zinc/78/76/12/1135787612.db2.gz	FJWIQPFSSAXDDI-NSHDSACASA-N	-1	0	260.333	3.501	20	30		CHEDRM
CC(C)n1cccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000179611556	260058213	/nfs/dbraw/zinc/05/82/13/260058213.db2.gz	XHXJVUGZWUWOKG-LBPRGKRZSA-N	-1	0	293.326	3.700	20	30		CHEDRM
N#Cc1cc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)[O-])cs1	ZINC000517966255	260328345	/nfs/dbraw/zinc/32/83/45/260328345.db2.gz	VULRUFRLWGVHJU-WBVHZDCISA-N	-1	0	295.363	3.575	20	30		CHEDRM
C=CCCOCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000154800895	261095391	/nfs/dbraw/zinc/09/53/91/261095391.db2.gz	OHYRRMILOOUALK-CXUHLZMHSA-N	-1	0	288.174	3.711	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000175122952	261209309	/nfs/dbraw/zinc/20/93/09/261209309.db2.gz	XCGWTXFNCMGFKG-LLVKDONJSA-N	-1	0	280.283	3.528	20	30		CHEDRM
CC(C)(C)c1[n-]n(CCC2CCCC2)c(=O)c1CCC#N	ZINC000187176771	262390222	/nfs/dbraw/zinc/39/02/22/262390222.db2.gz	YWPQUXIRATWKIO-UHFFFAOYSA-N	-1	0	289.423	3.923	20	30		CHEDRM
C#CCC(C)(C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000184987164	264934437	/nfs/dbraw/zinc/93/44/37/264934437.db2.gz	CNRMCFHHUAQGKW-UHFFFAOYSA-N	-1	0	286.158	3.687	20	30		CHEDRM
N#CC(=C([O-])c1ccc(-c2ccccc2)o1)c1ccccn1	ZINC000344426378	265059155	/nfs/dbraw/zinc/05/91/55/265059155.db2.gz	XWXFUMLKXVPPOB-AWEZNQCLSA-N	-1	0	288.306	3.832	20	30		CHEDRM
Cc1scc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000180743167	329222647	/nfs/dbraw/zinc/22/26/47/329222647.db2.gz	OQDRPBJZIQGVPR-LLVKDONJSA-N	-1	0	296.351	3.996	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000189033970	329374779	/nfs/dbraw/zinc/37/47/79/329374779.db2.gz	JHWHJDHTOMJJMT-CYBMUJFWSA-N	-1	0	253.729	3.586	20	30		CHEDRM
CCc1cc(C([O-])=C(C#N)c2nc(C)cs2)sc1C	ZINC000041520921	329565782	/nfs/dbraw/zinc/56/57/82/329565782.db2.gz	HVLPJMRLZFZITB-LLVKDONJSA-N	-1	0	290.413	3.874	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCC1	ZINC000263199486	330043545	/nfs/dbraw/zinc/04/35/45/330043545.db2.gz	UVHGHAXGQYSOQW-UHFFFAOYSA-N	-1	0	293.750	3.723	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)c1c([O-])cccc1F	ZINC000436498229	330678774	/nfs/dbraw/zinc/67/87/74/330678774.db2.gz	VQYOCUIERMLBEG-UHFFFAOYSA-N	-1	0	285.318	3.902	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C(C)=O)ccc2[O-])CCCC1	ZINC000450443986	330980015	/nfs/dbraw/zinc/98/00/15/330980015.db2.gz	WIIFXPPLNZDDSE-UHFFFAOYSA-N	-1	0	287.359	3.670	20	30		CHEDRM
Cc1cocc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000528967099	333466822	/nfs/dbraw/zinc/46/68/22/333466822.db2.gz	UAWSIXXMLAGVKY-JTQLQIEISA-N	-1	0	274.345	3.658	20	30		CHEDRM
COc1ccc(-c2ccccc2C(=O)[O-])cc1C1(C#N)CC1	ZINC000577733889	335394103	/nfs/dbraw/zinc/39/41/03/335394103.db2.gz	HWKVCWZPAMKILF-UHFFFAOYSA-N	-1	0	293.322	3.616	20	30		CHEDRM
Cc1cccc2c1C/C(=C\c1ccc(C(=O)[O-])cc1)C2=O	ZINC000729151288	600146465	/nfs/dbraw/zinc/14/64/65/600146465.db2.gz	QGUVOQFZWSJXMK-NTEUORMPSA-N	-1	0	278.307	3.516	20	30		CHEDRM
C=C(C)COc1cccc(N[C@H](C(=O)[O-])c2ccccc2)c1	ZINC000736094562	600432485	/nfs/dbraw/zinc/43/24/85/600432485.db2.gz	MNLBFBQVKFJZHF-KRWDZBQOSA-N	-1	0	297.354	3.879	20	30		CHEDRM
CSc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738213263	600590569	/nfs/dbraw/zinc/59/05/69/600590569.db2.gz	AKHCNZILRBNFNN-HNNXBMFYSA-N	-1	0	298.367	3.518	20	30		CHEDRM
N#Cc1cc(Cl)ccc1SCc1occc1C(=O)[O-]	ZINC000833068605	601547650	/nfs/dbraw/zinc/54/76/50/601547650.db2.gz	DKYOLAPGSKRQKD-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)cc1	ZINC000755706034	601763705	/nfs/dbraw/zinc/76/37/05/601763705.db2.gz	QNZHJSUHKOZRHA-UTCJRWHESA-N	-1	0	288.249	3.559	20	30		CHEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])s2)c(Cl)c1	ZINC000109600479	601890714	/nfs/dbraw/zinc/89/07/14/601890714.db2.gz	CRWIYIHHAGHAET-UHFFFAOYSA-N	-1	0	293.731	3.550	20	30		CHEDRM
C=CCCCNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000825671245	602114849	/nfs/dbraw/zinc/11/48/49/602114849.db2.gz	INPOUSWFPAFQKJ-UHFFFAOYSA-N	-1	0	285.343	3.681	20	30		CHEDRM
N#Cc1cccc(SCc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000833075897	602290530	/nfs/dbraw/zinc/29/05/30/602290530.db2.gz	YQWJDHGPNMIEBQ-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
O=C([O-])N1CCc2cccc(/C=C/C(=O)c3ccsc3)c21	ZINC000831292658	603811833	/nfs/dbraw/zinc/81/18/33/603811833.db2.gz	NGPISHNIEBTKRZ-SNAWJCMRSA-N	-1	0	299.351	3.685	20	30		CHEDRM
CC(N=Nc1ncccc1Cl)[C@@H](C)CCCCC(=O)[O-]	ZINC000814810674	604637819	/nfs/dbraw/zinc/63/78/19/604637819.db2.gz	SJNUOAJALDPRAG-JTQLQIEISA-N	-1	0	297.786	3.804	20	30		CHEDRM
CC(=NN[C@H](C)c1ccccc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814815177	604638088	/nfs/dbraw/zinc/63/80/88/604638088.db2.gz	PFVUTHYTVJXFET-DZGCQCFKSA-N	-1	0	290.407	3.994	20	30		CHEDRM
C=C[C@@H](CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000833371619	604671640	/nfs/dbraw/zinc/67/16/40/604671640.db2.gz	SNUOAFYCXYJQGL-ZDUSSCGKSA-N	-1	0	295.338	3.683	20	30		CHEDRM
C=CCC[C@H](NC(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000833373626	605006763	/nfs/dbraw/zinc/00/67/63/605006763.db2.gz	UZELPDRZFKSLTM-NSHDSACASA-N	-1	0	273.254	3.980	20	30		CHEDRM
C[C@@H]1C/C(=C\c2ccc(C(=O)[O-])o2)C(=O)c2ccccc21	ZINC000833585620	605052226	/nfs/dbraw/zinc/05/22/26/605052226.db2.gz	AOYVKXHFJYBWCV-OYVNLZQHSA-N	-1	0	282.295	3.751	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000833374024	605057431	/nfs/dbraw/zinc/05/74/31/605057431.db2.gz	NYCXTRKOXZCJKR-LLVKDONJSA-N	-1	0	291.351	3.643	20	30		CHEDRM
C=CCCCSCc1ccccc1CC(=O)[O-]	ZINC000833373926	605140388	/nfs/dbraw/zinc/14/03/88/605140388.db2.gz	JGCGHBSRFQVOSE-UHFFFAOYSA-N	-1	0	250.363	3.513	20	30		CHEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1	ZINC000783772088	605328447	/nfs/dbraw/zinc/32/84/47/605328447.db2.gz	JOUBCHOQBPCTKW-WCQYABFASA-N	-1	0	260.337	3.609	20	30		CHEDRM
C[C@H](CCN=Nc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC001592470252	978219720	/nfs/dbraw/zinc/21/97/20/978219720.db2.gz	GGQYHIXMSBIPNM-SSDOTTSWSA-N	-1	0	275.135	3.502	20	30		CHEDRM
CCCCCCCCCC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000386499908	972059315	/nfs/dbraw/zinc/05/93/15/972059315.db2.gz	AJZHRCJBHJWWTJ-UHFFFAOYSA-N	-1	0	297.439	3.983	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1	ZINC000006225242	956876515	/nfs/dbraw/zinc/87/65/15/956876515.db2.gz	LOYDPLGHYGKNBM-XCVCLJGOSA-N	-1	0	286.714	3.934	20	30		CHEDRM
CCCCCCCCC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000059138742	957561393	/nfs/dbraw/zinc/56/13/93/957561393.db2.gz	LRULYTDTSYPHNU-UHFFFAOYSA-N	-1	0	291.391	3.855	20	30		CHEDRM
C#C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1	ZINC001588385341	957970055	/nfs/dbraw/zinc/97/00/55/957970055.db2.gz	DYDLOPZFUUYKJO-INIZCTEOSA-N	-1	0	299.757	3.502	20	30		CHEDRM
CC(C)(C#N)CCOc1c(C(=O)[O-])ccc2ccccc21	ZINC000087590274	958019453	/nfs/dbraw/zinc/01/94/53/958019453.db2.gz	XHROXADQZXMUHR-UHFFFAOYSA-N	-1	0	283.327	3.857	20	30		CHEDRM
N#Cc1c(F)cccc1Sc1ccc(C(=O)[O-])cc1	ZINC000093408172	958243576	/nfs/dbraw/zinc/24/35/76/958243576.db2.gz	NPYHXRVUMKHEGO-UHFFFAOYSA-N	-1	0	273.288	3.547	20	30		CHEDRM
C=C(C)CCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2	ZINC001588442488	958346464	/nfs/dbraw/zinc/34/64/64/958346464.db2.gz	RSGQQHVTROBPPW-UHFFFAOYSA-N	-1	0	293.388	3.620	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1	ZINC001573329373	962813214	/nfs/dbraw/zinc/81/32/14/962813214.db2.gz	FEDORLFJZRSWMH-UHFFFAOYSA-N	-1	0	281.311	3.670	20	30		CHEDRM
C=CC1(CC(=O)Nc2ccccc2C(=O)[O-])CCCCC1	ZINC001573350766	962973293	/nfs/dbraw/zinc/97/32/93/962973293.db2.gz	LXNGOKBNEISCOW-UHFFFAOYSA-N	-1	0	287.359	3.850	20	30		CHEDRM
C=CC1(CC(=O)Nc2ccsc2C(=O)[O-])CCCCC1	ZINC001573351469	962977825	/nfs/dbraw/zinc/97/78/25/962977825.db2.gz	UJBRFFSTLWLAFW-UHFFFAOYSA-N	-1	0	293.388	3.911	20	30		CHEDRM
C=CCCCCCN(C)C(=O)CC1(CC(=O)[O-])CCCC1	ZINC001573366964	963062672	/nfs/dbraw/zinc/06/26/72/963062672.db2.gz	QRQHQQCYIWNXLU-UHFFFAOYSA-N	-1	0	295.423	3.616	20	30		CHEDRM
C=CCN(Cc1cccs1)[C@H](C)c1ccc(C(=O)[O-])o1	ZINC000567742557	974641344	/nfs/dbraw/zinc/64/13/44/974641344.db2.gz	KSZXWZJHERMSGW-LLVKDONJSA-N	-1	0	291.372	3.789	20	30		CHEDRM
CC(C)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001591949298	976505688	/nfs/dbraw/zinc/50/56/88/976505688.db2.gz	SSBLIVZYNKXXNV-VMPITWQZSA-N	-1	0	284.311	3.997	20	30		CHEDRM
CC(CC1CCC1)N=Nc1cccc(F)c1C(=O)[O-]	ZINC001592458659	978172722	/nfs/dbraw/zinc/17/27/22/978172722.db2.gz	CQEVAOBOZYLUEE-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CCCC1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763370158	978721992	/nfs/dbraw/zinc/72/19/92/978721992.db2.gz	LSDOBXMRNDSURE-UHFFFAOYSA-N	-1	0	275.352	3.538	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2Cl)c1	ZINC000774107242	978746107	/nfs/dbraw/zinc/74/61/07/978746107.db2.gz	WXPVQAGQYMCGIY-CMDGGOBGSA-N	-1	0	286.714	3.934	20	30		CHEDRM
CC(C)C[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000794526028	978813153	/nfs/dbraw/zinc/81/31/53/978813153.db2.gz	LNNLPWZTXDCZQU-GFCCVEGCSA-N	-1	0	289.379	3.784	20	30		CHEDRM
CC(C)C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000794526030	978813176	/nfs/dbraw/zinc/81/31/76/978813176.db2.gz	LNNLPWZTXDCZQU-LBPRGKRZSA-N	-1	0	289.379	3.784	20	30		CHEDRM
CC(C)(C#N)[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000814687234	978872671	/nfs/dbraw/zinc/87/26/71/978872671.db2.gz	CXASREBKADGQRR-CYBMUJFWSA-N	-1	0	285.347	3.503	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814859444	978893913	/nfs/dbraw/zinc/89/39/13/978893913.db2.gz	VDYOQWYNNKIYSG-MELADBBJSA-N	-1	0	282.428	3.812	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC000835010231	979244364	/nfs/dbraw/zinc/24/43/64/979244364.db2.gz	UIACPCLGPRGETI-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414883	979468174	/nfs/dbraw/zinc/46/81/74/979468174.db2.gz	SOQKUIZDNKBNHK-TZMCWYRMSA-N	-1	0	274.364	3.538	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001592822100	979523227	/nfs/dbraw/zinc/52/32/27/979523227.db2.gz	FLLRCCSPCZYUCY-UHFFFAOYSA-N	-1	0	298.383	3.843	20	30		CHEDRM
C[C@H]1C(N=Nc2cc(F)cc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000853395774	979606968	/nfs/dbraw/zinc/60/69/68/979606968.db2.gz	KKZQHXFEQRLFDB-RKDXNWHRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910947303	982172418	/nfs/dbraw/zinc/17/24/18/982172418.db2.gz	CMGQQBCMLHYAGR-UHFFFAOYSA-N	-1	0	293.388	3.648	20	30		CHEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)C(C)(C)C	ZINC000835008701	1118760930	/nfs/dbraw/zinc/76/09/30/1118760930.db2.gz	NEKOZUYQZZLCQN-SECBINFHSA-N	-1	0	266.316	3.604	20	30		CHEDRM
CCCCCCCOc1ccc(C(=O)[O-])cc1C=O	ZINC001595708974	982289130	/nfs/dbraw/zinc/28/91/30/982289130.db2.gz	OHJFVCFLMLXLSA-UHFFFAOYSA-N	-1	0	264.321	3.547	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000911401090	982418740	/nfs/dbraw/zinc/41/87/40/982418740.db2.gz	DQRGAJWXRZVFQO-UHFFFAOYSA-N	-1	0	289.375	3.635	20	30		CHEDRM
C=C[C@@H](Nc1cccc(CSC2CCCC2)c1)C(=O)[O-]	ZINC001588702227	983919195	/nfs/dbraw/zinc/91/91/95/983919195.db2.gz	NKFGDINSKITLDW-OAHLLOKOSA-N	-1	0	291.416	3.914	20	30		CHEDRM
C=CC[C@@H](C(=O)[O-])N1C[C@H](C(C)(C)C)Cc2ccccc21	ZINC001588728463	983982740	/nfs/dbraw/zinc/98/27/40/983982740.db2.gz	KDEUKLUXARTYCL-ZBFHGGJFSA-N	-1	0	287.403	3.741	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001588737874	984030640	/nfs/dbraw/zinc/03/06/40/984030640.db2.gz	SKMJQTCTEQHJBN-UHFFFAOYSA-N	-1	0	298.342	3.573	20	30		CHEDRM
C=CC[C@@H](SC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC001588758163	984105285	/nfs/dbraw/zinc/10/52/85/984105285.db2.gz	FCHMJPFECZLFRS-DGCLKSJQSA-N	-1	0	250.363	3.553	20	30		CHEDRM
C=CC[C@H](SCCCCc1ccccc1)C(=O)[O-]	ZINC001588758714	984107387	/nfs/dbraw/zinc/10/73/87/984107387.db2.gz	ISQKOLZUQIISSI-AWEZNQCLSA-N	-1	0	264.390	3.772	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCC1	ZINC001588764786	984123417	/nfs/dbraw/zinc/12/34/17/984123417.db2.gz	IVFQYEROSBGSQY-UHFFFAOYSA-N	-1	0	293.750	3.723	20	30		CHEDRM
C=CCC[C@@H](CCC)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588777995	984158830	/nfs/dbraw/zinc/15/88/30/984158830.db2.gz	OPPYYOPOAXHDDY-CYBMUJFWSA-N	-1	0	277.364	3.940	20	30		CHEDRM
C=CCCCCCCCNC(=O)c1cc(C(=O)[O-])oc1C	ZINC001588798395	984235429	/nfs/dbraw/zinc/23/54/29/984235429.db2.gz	DCKCKFLIZPXVRV-UHFFFAOYSA-N	-1	0	293.363	3.543	20	30		CHEDRM
CC(C)(C#N)CCSCc1ccc(C(=O)[O-])c(F)c1	ZINC001589554652	987302006	/nfs/dbraw/zinc/30/20/06/987302006.db2.gz	JMFOJSBOJPHRRN-UHFFFAOYSA-N	-1	0	281.352	3.697	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)s1	ZINC001214798228	1134573714	/nfs/dbraw/zinc/57/37/14/1134573714.db2.gz	OLHKCRBURJNPJH-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211965078	1125532786	/nfs/dbraw/zinc/53/27/86/1125532786.db2.gz	NAEBVCJFIGUKTI-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1ncc(-c2cc(Cl)c([O-])c(Cl)c2)cc1F	ZINC001242852698	1130091672	/nfs/dbraw/zinc/09/16/72/1130091672.db2.gz	XBQRRFJXDDXPDY-UHFFFAOYSA-N	-1	0	283.089	3.772	20	30		CHEDRM
CC(=NOC1CCCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814910633	1130935066	/nfs/dbraw/zinc/93/50/66/1130935066.db2.gz	ZXWSDBMPRCQLNT-OCCSQVGLSA-N	-1	0	281.396	3.849	20	30		CHEDRM
C[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1cccc(C#N)c1	ZINC000591459781	1127303422	/nfs/dbraw/zinc/30/34/22/1127303422.db2.gz	ILMAWRYFYAMEOM-LLVKDONJSA-N	-1	0	298.415	3.662	20	30		CHEDRM
C=CCCSc1n[n-]c(=Nc2ccccc2F)s1	ZINC000606755581	1127773828	/nfs/dbraw/zinc/77/38/28/1127773828.db2.gz	CHDAXNSOGAEKQP-UHFFFAOYSA-N	-1	0	281.381	3.511	20	30		CHEDRM
CC(=Cc1cccc(C(C)C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000596012229	1128049366	/nfs/dbraw/zinc/04/93/66/1128049366.db2.gz	RQFJEHHTQSMHOS-XYOKQWHBSA-N	-1	0	293.370	3.634	20	30		CHEDRM
C=CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000176520673	1128172863	/nfs/dbraw/zinc/17/28/63/1128172863.db2.gz	UDQYIPDHTXZEAI-AWEZNQCLSA-N	-1	0	294.354	3.724	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1cc(C)c(O)c(C)c1)O2	ZINC000915989110	1128401877	/nfs/dbraw/zinc/40/18/77/1128401877.db2.gz	YEFBXSSCOKVWON-CHHVJCJISA-N	-1	0	296.322	3.639	20	30		CHEDRM
CC(C)[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C[C@H]1C	ZINC000763369258	1128418559	/nfs/dbraw/zinc/41/85/59/1128418559.db2.gz	USQOLCSHNWPYBV-BXUZGUMPSA-N	-1	0	289.379	3.640	20	30		CHEDRM
CCCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000917528975	1128504489	/nfs/dbraw/zinc/50/44/89/1128504489.db2.gz	JRLFXTSYRCAJGX-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
N#CC(=C([O-])C=C1CCCC1)c1nc2ccccc2o1	ZINC000920115906	1128666089	/nfs/dbraw/zinc/66/60/89/1128666089.db2.gz	OPRZXUXOZMEBJX-GFCCVEGCSA-N	-1	0	266.300	3.504	20	30		CHEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1ccc2ccccc2n1	ZINC000047375634	1128670152	/nfs/dbraw/zinc/67/01/52/1128670152.db2.gz	OVEYJHBQYMXZRO-INIZCTEOSA-N	-1	0	297.317	3.597	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(Cl)c(F)c1	ZINC000921256053	1128704190	/nfs/dbraw/zinc/70/41/90/1128704190.db2.gz	KIIGOLQFRHEULB-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407512	1128707217	/nfs/dbraw/zinc/70/72/17/1128707217.db2.gz	CPYCPVRNEGFQIM-UHFFFAOYSA-N	-1	0	291.372	3.531	20	30		CHEDRM
COc1cc(NC2=CC[C@@H](C#N)CC2)ccc1[S-]	ZINC001212867451	1128738265	/nfs/dbraw/zinc/73/82/65/1128738265.db2.gz	XIAFNGPTZGFFKD-SNVBAGLBSA-N	-1	0	260.362	3.603	20	30		CHEDRM
CC[C@H](Cc1ccccc1-c1ccsc1C#N)C(=O)[O-]	ZINC000579496050	1128749635	/nfs/dbraw/zinc/74/96/35/1128749635.db2.gz	VYQRBUVXRONGKL-LLVKDONJSA-N	-1	0	285.368	3.940	20	30		CHEDRM
CCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCCC1	ZINC000764277060	1118081458	/nfs/dbraw/zinc/08/14/58/1118081458.db2.gz	GXZZSWDVGORNBX-UHFFFAOYSA-N	-1	0	272.348	3.563	20	30		CHEDRM
C=CCCCN(CC)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000890812579	1118144328	/nfs/dbraw/zinc/14/43/28/1118144328.db2.gz	ZIHNMRXCXGWANL-UHFFFAOYSA-N	-1	0	285.746	3.613	20	30		CHEDRM
N#Cc1cncc(Nc2cc(Cl)ccc2[S-])c1	ZINC001210085694	1118149304	/nfs/dbraw/zinc/14/93/04/1118149304.db2.gz	CNZJOFXULFQFLZ-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
CCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000121052184	1118247872	/nfs/dbraw/zinc/24/78/72/1118247872.db2.gz	VWZGUWUSBKFFBX-CQSZACIVSA-N	-1	0	296.370	3.948	20	30		CHEDRM
N#Cc1ccsc1Nc1cccc([O-])c1Cl	ZINC001210844356	1118407731	/nfs/dbraw/zinc/40/77/31/1118407731.db2.gz	DWONNSZCPDOTIX-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
N#Cc1ccc(F)c(F)c1Nc1cccc([S-])c1	ZINC001210948202	1118429065	/nfs/dbraw/zinc/42/90/65/1118429065.db2.gz	JVEQRMDTXVMONX-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
N#Cc1ccc(Nc2cccc([S-])c2)c(F)c1F	ZINC001210950202	1118430040	/nfs/dbraw/zinc/43/00/40/1118430040.db2.gz	NXMFCBCVMKBLSH-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccccc1C(=O)[O-]	ZINC001210967561	1118433238	/nfs/dbraw/zinc/43/32/38/1118433238.db2.gz	JRUWJTNQNJTORD-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2ccccc2C(=O)[O-])cc1	ZINC001210967592	1118433455	/nfs/dbraw/zinc/43/34/55/1118433455.db2.gz	LNKGYFHQLOCRNH-UHFFFAOYSA-N	-1	0	280.327	3.930	20	30		CHEDRM
Cc1ccc(F)c(Nc2cc(F)cc(C#N)c2)c1O	ZINC001215738797	1118572082	/nfs/dbraw/zinc/57/20/82/1118572082.db2.gz	BLVAMTCBMXHVQQ-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
Cc1nscc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000180444919	1128793873	/nfs/dbraw/zinc/79/38/73/1128793873.db2.gz	GWRSCDPIUJIFHS-SECBINFHSA-N	-1	0	291.401	3.522	20	30		CHEDRM
C[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1C	ZINC000022727423	1118823068	/nfs/dbraw/zinc/82/30/68/1118823068.db2.gz	NMLWONCHPJZJMC-LOXUEPLVSA-N	-1	0	276.336	3.544	20	30		CHEDRM
N#Cc1cccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000588480290	1118910643	/nfs/dbraw/zinc/91/06/43/1118910643.db2.gz	QAVWVYYMZGHXTA-XQRVVYSFSA-N	-1	0	283.714	3.813	20	30		CHEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000617041804	1128813081	/nfs/dbraw/zinc/81/30/81/1128813081.db2.gz	JCNHDAQQHPFPRE-IINYFYTJSA-N	-1	0	295.329	3.535	20	30		CHEDRM
N#Cc1sccc1-c1ccc2c(c1)CC[C@]21C[C@@H]1C(=O)[O-]	ZINC000582133028	1119019870	/nfs/dbraw/zinc/01/98/70/1119019870.db2.gz	GQIQYAWSGPYBRT-PBHICJAKSA-N	-1	0	295.363	3.575	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cc(C)cc(C(=O)[O-])c2)c1	ZINC001211542781	1119059549	/nfs/dbraw/zinc/05/95/49/1119059549.db2.gz	PPROWSKDRRKOEG-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
COc1cccc(/C=C/C(=O)c2cc(F)ccc2[O-])c1F	ZINC000799891297	1119154732	/nfs/dbraw/zinc/15/47/32/1119154732.db2.gz	CHYSEQKKLFSFQO-FNORWQNLSA-N	-1	0	290.265	3.575	20	30		CHEDRM
CCCn1nc(C)c(/C=C\C(=O)c2ccccc2[O-])c1C	ZINC000255540053	1119196126	/nfs/dbraw/zinc/19/61/26/1119196126.db2.gz	BNIKMBNADOGOJN-KTKRTIGZSA-N	-1	0	284.359	3.512	20	30		CHEDRM
C=CCCOCCCCC(=O)Nc1ccc(Cl)cc1O	ZINC000342986270	1119272941	/nfs/dbraw/zinc/27/29/41/1119272941.db2.gz	YTQIMUNVWQOUNO-UHFFFAOYSA-N	-1	0	297.782	3.747	20	30		CHEDRM
COc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1	ZINC000255566613	1119285725	/nfs/dbraw/zinc/28/57/25/1119285725.db2.gz	CJFBSZMESNTPHJ-UQCOIBPSSA-N	-1	0	290.265	3.575	20	30		CHEDRM
Cc1ccsc1C=CC(=O)c1sccc1[O-]	ZINC000588598952	1119529174	/nfs/dbraw/zinc/52/91/74/1119529174.db2.gz	LBPUVJQIJMGALI-IHWYPQMZSA-N	-1	0	250.344	3.720	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1C	ZINC001211622391	1119582292	/nfs/dbraw/zinc/58/22/92/1119582292.db2.gz	BZFHDTRZTNSIAQ-UHFFFAOYSA-N	-1	0	280.327	3.871	20	30		CHEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])cc2C)ccc1F	ZINC001211624374	1119609426	/nfs/dbraw/zinc/60/94/26/1119609426.db2.gz	DNJOITQWYPEBFK-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
N#Cc1ccc(CCNc2cc(F)ccc2[S-])cc1	ZINC001167679176	1119658403	/nfs/dbraw/zinc/65/84/03/1119658403.db2.gz	JLNMVNBWVXNSRO-UHFFFAOYSA-N	-1	0	272.348	3.641	20	30		CHEDRM
O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1ccccc1[O-]	ZINC000176953519	1119671097	/nfs/dbraw/zinc/67/10/97/1119671097.db2.gz	RDTAOGQVZQGVIK-VOTSOKGWSA-N	-1	0	298.729	3.589	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379600	1119712501	/nfs/dbraw/zinc/71/25/01/1119712501.db2.gz	YEVIAJILBYOKPC-NSHDSACASA-N	-1	0	286.356	3.666	20	30		CHEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCCC1	ZINC000077879503	1128879595	/nfs/dbraw/zinc/87/95/95/1128879595.db2.gz	FCFBFHXNMMGWOR-GFCCVEGCSA-N	-1	0	295.404	3.614	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077881535	1128880096	/nfs/dbraw/zinc/88/00/96/1128880096.db2.gz	HNSIGAGIVQSSQH-GFCCVEGCSA-N	-1	0	283.393	3.614	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)CC/C=C\c2ccccc2)c1	ZINC000255916416	1119996547	/nfs/dbraw/zinc/99/65/47/1119996547.db2.gz	VSNLQBJZKPLGHP-YWEYNIOJSA-N	-1	0	292.338	3.696	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000041545683	1120283629	/nfs/dbraw/zinc/28/36/29/1120283629.db2.gz	MJIQXYFKDQZEHW-AWEZNQCLSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041545862	1120283831	/nfs/dbraw/zinc/28/38/31/1120283831.db2.gz	LUJBIGBAWINOSL-ZDUSSCGKSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CCn1nccc1/C=C\C(=O)c1ccc2ccccc2c1[O-]	ZINC000255169686	1120339803	/nfs/dbraw/zinc/33/98/03/1120339803.db2.gz	WAIWXAQVEXPVPP-NTMALXAHSA-N	-1	0	292.338	3.658	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](CC)c1ccccc1	ZINC000073838152	1120643645	/nfs/dbraw/zinc/64/36/45/1120643645.db2.gz	ZEXYQGPMIROHKU-CQSZACIVSA-N	-1	0	297.420	3.655	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)c(C3CC3)c2)cc1[O-]	ZINC000343902428	1120950201	/nfs/dbraw/zinc/95/02/01/1120950201.db2.gz	UUPOCHRCCSARIA-UHFFFAOYSA-N	-1	0	296.301	3.533	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174808274	1121055150	/nfs/dbraw/zinc/05/51/50/1121055150.db2.gz	STOQHSVCIGOEPL-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1sc2c(c1C#N)CCC2	ZINC001174981615	1121140172	/nfs/dbraw/zinc/14/01/72/1121140172.db2.gz	LWFHXLIDMLLRIM-UHFFFAOYSA-N	-1	0	298.367	3.859	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(Cl)ccc1C#N	ZINC001174984438	1121142332	/nfs/dbraw/zinc/14/23/32/1121142332.db2.gz	PQRASVSNVTUNQN-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
CCOc1cc(Nc2scc([O-])c2C#N)ccc1F	ZINC001175049594	1121159658	/nfs/dbraw/zinc/15/96/58/1121159658.db2.gz	FWUANRSDQFXTHV-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
C=CCC1(CNC(=O)c2cccc(Cl)c2[O-])CCCC1	ZINC001128862019	1121192011	/nfs/dbraw/zinc/19/20/11/1121192011.db2.gz	JXLAKCQXGIQQMF-UHFFFAOYSA-N	-1	0	293.794	3.912	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001175221203	1121229842	/nfs/dbraw/zinc/22/98/42/1121229842.db2.gz	AUCIFDQUXGNGLX-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCOc1cccc(Nc2scc([O-])c2C#N)c1F	ZINC001175240639	1121241302	/nfs/dbraw/zinc/24/13/02/1121241302.db2.gz	RRVROOXXFLFXNQ-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1F	ZINC001175256849	1121263532	/nfs/dbraw/zinc/26/35/32/1121263532.db2.gz	YOFGBYKZKLCEKM-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
CC(C)(C)c1noc([N-]c2c(F)ccc(O)c2F)c1C#N	ZINC001175263643	1121267222	/nfs/dbraw/zinc/26/72/22/1121267222.db2.gz	ODPODZABXLKTEI-UHFFFAOYSA-N	-1	0	293.273	3.571	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C#N	ZINC001175318868	1121280921	/nfs/dbraw/zinc/28/09/21/1121280921.db2.gz	JDOQHCMUHHCWON-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1c(Cl)c(C#N)ccc1Nc1cccc(C(=O)[O-])c1	ZINC001175331156	1121287193	/nfs/dbraw/zinc/28/71/93/1121287193.db2.gz	PJBJOQICDIVRHH-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1cc(Nc2ccc3ncccc3c2)c([O-])cc1F	ZINC001175379278	1121307548	/nfs/dbraw/zinc/30/75/48/1121307548.db2.gz	NXWZMQMWKUXBIE-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1c(F)cc(F)c(F)c1F	ZINC001176349193	1121611569	/nfs/dbraw/zinc/61/15/69/1121611569.db2.gz	FQVKRLFVUHFAGL-UHFFFAOYSA-N	-1	0	288.225	3.625	20	30		CHEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)c2cccnc12	ZINC001176442788	1121623567	/nfs/dbraw/zinc/62/35/67/1121623567.db2.gz	DAHQGJMFPQRQDM-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)c1	ZINC001176586288	1121648133	/nfs/dbraw/zinc/64/81/33/1121648133.db2.gz	DUHPQSSIASJMCA-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176588581	1121649129	/nfs/dbraw/zinc/64/91/29/1121649129.db2.gz	NHXPPAUGZWICLD-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
N#Cc1c(F)c(Cl)ccc1Nc1ccc(C(=O)[O-])cc1	ZINC001176713959	1121690663	/nfs/dbraw/zinc/69/06/63/1121690663.db2.gz	ZETNUTJTEAWOJN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CC[C@@H](Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000727781583	1121740155	/nfs/dbraw/zinc/74/01/55/1121740155.db2.gz	QVXJQQKMSVXFJA-BRFSQIRFSA-N	-1	0	298.342	3.741	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC(Cc1ccccc1)C1CC1	ZINC000729143623	1121757235	/nfs/dbraw/zinc/75/72/35/1121757235.db2.gz	OMNQNZASBYGGSS-UHFFFAOYSA-N	-1	0	294.354	3.805	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000730437105	1121810616	/nfs/dbraw/zinc/81/06/16/1121810616.db2.gz	PFFIIDCGZSESQD-HYXAFXHYSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CC(C)(C)NC(=S)[N-]c1ccccc1SCCC#N	ZINC000730952694	1121839165	/nfs/dbraw/zinc/83/91/65/1121839165.db2.gz	BCQRTEIUBDZKJL-UHFFFAOYSA-N	-1	0	293.461	3.777	20	30		CHEDRM
C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(C(=O)[O-])cc2)o1	ZINC000732762519	1121938001	/nfs/dbraw/zinc/93/80/01/1121938001.db2.gz	IKFIANMZAWQGPG-QMTHXVAHSA-N	-1	0	284.315	3.547	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774137009	1122129806	/nfs/dbraw/zinc/12/98/06/1122129806.db2.gz	DPLXSYUPQJFUPD-SREVYHEPSA-N	-1	0	280.323	3.898	20	30		CHEDRM
Cc1ccc(F)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000774134832	1122132495	/nfs/dbraw/zinc/13/24/95/1122132495.db2.gz	OVOUACBASKNYNI-SOFGYWHQSA-N	-1	0	284.286	3.728	20	30		CHEDRM
C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(O)cc1F	ZINC000436989036	1122601443	/nfs/dbraw/zinc/60/14/43/1122601443.db2.gz	LJDGKBKLBYOBQA-UHFFFAOYSA-N	-1	0	299.345	3.750	20	30		CHEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519411	1122713714	/nfs/dbraw/zinc/71/37/14/1122713714.db2.gz	WAIBCHQFXSONCO-AWEZNQCLSA-N	-1	0	297.420	3.689	20	30		CHEDRM
C[C@@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1C#N	ZINC001205691411	1122857034	/nfs/dbraw/zinc/85/70/34/1122857034.db2.gz	WKPTYAUBSBGQKN-GFCCVEGCSA-N	-1	0	281.311	3.534	20	30		CHEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)c(C3CC3)c2)c([O-])c1	ZINC001195758715	1122885747	/nfs/dbraw/zinc/88/57/47/1122885747.db2.gz	QERFEDVMNXOIGN-UHFFFAOYSA-N	-1	0	296.301	3.533	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(CC#N)cc1	ZINC000082716170	1123082663	/nfs/dbraw/zinc/08/26/63/1123082663.db2.gz	HHUMDXVRWBMRIH-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
Cc1c(Nc2scc([O-])c2C#N)cnn1-c1ccccc1	ZINC001201368960	1123088163	/nfs/dbraw/zinc/08/81/63/1123088163.db2.gz	SMCKBJSTORVWBW-UHFFFAOYSA-N	-1	0	296.355	3.563	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2ccc(Cl)cc2)c1	ZINC001202376496	1123203885	/nfs/dbraw/zinc/20/38/85/1123203885.db2.gz	YHXYHXDGLMVORB-UHFFFAOYSA-N	-1	0	287.706	3.561	20	30		CHEDRM
Cc1ccc(C)c(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000007333333	1123249273	/nfs/dbraw/zinc/24/92/73/1123249273.db2.gz	DNHMHGYBPRVOGA-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1c(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)cccc1C(=O)[O-]	ZINC000853370619	1123437177	/nfs/dbraw/zinc/43/71/77/1123437177.db2.gz	RUFNFGOIKCRHSC-FRRDWIJNSA-N	-1	0	272.348	3.527	20	30		CHEDRM
C=CCOc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041515990	1123590906	/nfs/dbraw/zinc/59/09/06/1123590906.db2.gz	MTMACNMCLUTTDR-ZDUSSCGKSA-N	-1	0	298.367	3.506	20	30		CHEDRM
C=CCOc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041515992	1123590975	/nfs/dbraw/zinc/59/09/75/1123590975.db2.gz	MTMACNMCLUTTDR-CYBMUJFWSA-N	-1	0	298.367	3.506	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1C	ZINC000041545220	1123592228	/nfs/dbraw/zinc/59/22/28/1123592228.db2.gz	AJKGUHYOGIHLCQ-CQSZACIVSA-N	-1	0	290.322	3.935	20	30		CHEDRM
CC[C@@H]1OCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840710616	1123715268	/nfs/dbraw/zinc/71/52/68/1123715268.db2.gz	KWKMOQLPAVBSEH-XFQLZSBUSA-N	-1	0	288.174	3.685	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCCC2)n1	ZINC000118141030	1123774417	/nfs/dbraw/zinc/77/44/17/1123774417.db2.gz	MTYCSUMKGLMSFU-GWJCSSMESA-N	-1	0	274.389	3.764	20	30		CHEDRM
C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])[C@@H](C)O1	ZINC000864346875	1123924433	/nfs/dbraw/zinc/92/44/33/1123924433.db2.gz	FYJLIFGXSUQBCS-BDIAIWGRSA-N	-1	0	288.174	3.684	20	30		CHEDRM
C[C@@H]1CSC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000794676269	1123926905	/nfs/dbraw/zinc/92/69/05/1123926905.db2.gz	KUSSKBMVKLJZGY-XNJVNDLISA-N	-1	0	290.215	3.869	20	30		CHEDRM
Cc1cncc(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000794945212	1124094227	/nfs/dbraw/zinc/09/42/27/1124094227.db2.gz	KXMZSQBFIQNUCU-SNAWJCMRSA-N	-1	0	295.338	3.601	20	30		CHEDRM
O=C([O-])c1c(F)cc(-c2cccc(CS)c2)cc1F	ZINC001239361907	1131321254	/nfs/dbraw/zinc/32/12/54/1131321254.db2.gz	DMAPFOIGWQJDMY-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
CC(C)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000210014441	1125212737	/nfs/dbraw/zinc/21/27/37/1125212737.db2.gz	XRIZLRZWWTVHJW-YHYXMXQVSA-N	-1	0	298.338	3.781	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000179770714	1125285222	/nfs/dbraw/zinc/28/52/22/1125285222.db2.gz	PTADSSWRWLBAJD-SNVBAGLBSA-N	-1	0	290.388	3.591	20	30		CHEDRM
O=C(/C=C\c1ccccc1F)c1cc(F)ccc1[O-]	ZINC000102438760	1125285761	/nfs/dbraw/zinc/28/57/61/1125285761.db2.gz	BKQXXTLXYQNJIO-ALCCZGGFSA-N	-1	0	260.239	3.567	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2c(F)cccc2F)s1	ZINC000213232653	1125358881	/nfs/dbraw/zinc/35/88/81/1125358881.db2.gz	WDAALBXNBOCQHD-PLNGDYQASA-N	-1	0	294.278	3.621	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000213229514	1125359039	/nfs/dbraw/zinc/35/90/39/1125359039.db2.gz	WMUFUPRYBOWARP-FPLPWBNLSA-N	-1	0	286.352	3.905	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2cc(C)ccc2C)n1	ZINC000041520057	1125433350	/nfs/dbraw/zinc/43/33/50/1125433350.db2.gz	QAGJXKNNIFWIIM-CYBMUJFWSA-N	-1	0	270.357	3.558	20	30		CHEDRM
Cc1ccc(F)c(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000734981022	1129326968	/nfs/dbraw/zinc/32/69/68/1129326968.db2.gz	MCVZEIRIUOMGTH-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
CC1(C)CCC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000741466617	1129436737	/nfs/dbraw/zinc/43/67/37/1129436737.db2.gz	YDULDAZBYNXWDA-MHWRWJLKSA-N	-1	0	276.336	3.688	20	30		CHEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1	ZINC000741466475	1129437087	/nfs/dbraw/zinc/43/70/87/1129437087.db2.gz	SRXSBSNFVLSHLD-HPUUJOOBSA-N	-1	0	276.336	3.688	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCOC1CCC1	ZINC000743044510	1129511354	/nfs/dbraw/zinc/51/13/54/1129511354.db2.gz	KRMXYJXWGCOVSY-PXNMLYILSA-N	-1	0	288.174	3.687	20	30		CHEDRM
CC[C@H](C)C[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000743041706	1129511364	/nfs/dbraw/zinc/51/13/64/1129511364.db2.gz	BZWAIPJRHFAIFJ-FPQVCSMYSA-N	-1	0	264.325	3.544	20	30		CHEDRM
CC[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000743340836	1129519768	/nfs/dbraw/zinc/51/97/68/1129519768.db2.gz	LTYXEMVHKWAYLO-CYUIRQCWSA-N	-1	0	298.342	3.913	20	30		CHEDRM
CCCCCC[C@@H](C)NN=Cc1ccc(C(=O)[O-])cc1	ZINC000743450033	1129525264	/nfs/dbraw/zinc/52/52/64/1129525264.db2.gz	FAEDKXFKSWHBRB-CYBMUJFWSA-N	-1	0	276.380	3.667	20	30		CHEDRM
CCC(Cc1ccccc1)N=Nc1cccc(C(=O)[O-])c1	ZINC000745806570	1129616960	/nfs/dbraw/zinc/61/69/60/1129616960.db2.gz	RAUMRAXKEFGNNF-UHFFFAOYSA-N	-1	0	282.343	3.805	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])ccc1C#N	ZINC000766492099	1129670371	/nfs/dbraw/zinc/67/03/71/1129670371.db2.gz	UZYGWXBTACVXKN-ZZXKWVIFSA-N	-1	0	281.286	3.608	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)ccc1C#N	ZINC000766491526	1129670391	/nfs/dbraw/zinc/67/03/91/1129670391.db2.gz	POMWZLCLUKLONW-HWKANZROSA-N	-1	0	297.335	3.523	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)c(O)c2)c([O-])cc1F	ZINC001212593936	1129750566	/nfs/dbraw/zinc/75/05/66/1129750566.db2.gz	MDZLZBWYLWANRK-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001212595369	1129756651	/nfs/dbraw/zinc/75/66/51/1129756651.db2.gz	PYPJEVDKWQYCIS-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
Cc1c(F)cc(-c2ccc(/C=N/[O-])c(F)c2)cc1F	ZINC001242288742	1129759460	/nfs/dbraw/zinc/75/94/60/1129759460.db2.gz	RIYYMXNDPCVBQM-CNHKJKLMSA-N	-1	0	265.234	3.887	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccccc2C(=O)[O-])C[C@H]1c1ccccc1	ZINC000767761868	1129811983	/nfs/dbraw/zinc/81/19/83/1129811983.db2.gz	CRHXKTKQOQVAAL-SWLSCSKDSA-N	-1	0	294.354	3.976	20	30		CHEDRM
O=C(/C=C/c1cnc2ccccn12)c1ccc([O-])c(Cl)c1	ZINC000768759186	1129872316	/nfs/dbraw/zinc/87/23/16/1129872316.db2.gz	XWDUGNZJKFLDES-FNORWQNLSA-N	-1	0	298.729	3.589	20	30		CHEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1	ZINC000800790075	1129887412	/nfs/dbraw/zinc/88/74/12/1129887412.db2.gz	BEKDMYGOKVTGQO-DUJAKZANSA-N	-1	0	276.317	3.542	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCC[C@@H]2CCCF)c1	ZINC000800803592	1129889184	/nfs/dbraw/zinc/88/91/84/1129889184.db2.gz	IZZFDRYEADPURD-LLVKDONJSA-N	-1	0	278.327	3.703	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)c([O-])c1	ZINC000769609137	1129919115	/nfs/dbraw/zinc/91/91/15/1129919115.db2.gz	GPTQHYZGAAVEKO-CLFYSBASSA-N	-1	0	298.386	3.628	20	30		CHEDRM
O=C([O-])c1ccccc1C=NNc1c(F)cccc1Cl	ZINC000769827169	1129927238	/nfs/dbraw/zinc/92/72/38/1129927238.db2.gz	QETKLFMTIOPBMN-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c([O-])c1	ZINC000770572143	1129951074	/nfs/dbraw/zinc/95/10/74/1129951074.db2.gz	MHHUMGUMQCYJPY-QPJJXVBHSA-N	-1	0	281.286	3.608	20	30		CHEDRM
CCOc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000771744816	1129989222	/nfs/dbraw/zinc/98/92/22/1129989222.db2.gz	NMVIUKREWVXYIG-FPLPWBNLSA-N	-1	0	274.341	3.749	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2cccc(F)c2F)c1	ZINC001239707454	1130064568	/nfs/dbraw/zinc/06/45/68/1130064568.db2.gz	NSHQXDSZUSDBPH-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
CC(C)(C)OCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000746681298	1130150142	/nfs/dbraw/zinc/15/01/42/1130150142.db2.gz	FVICBAMYHKVBQN-LZYBPNLTSA-N	-1	0	290.190	3.933	20	30		CHEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/C=C\c2ccccc2)cc1	ZINC000746684999	1130151670	/nfs/dbraw/zinc/15/16/70/1130151670.db2.gz	WSQWIYKITXJJBI-MVTUOISNSA-N	-1	0	292.334	3.766	20	30		CHEDRM
C#CCC1(C(=O)Nc2cc(C(C)=O)ccc2[O-])CCCCC1	ZINC000788525088	1130191075	/nfs/dbraw/zinc/19/10/75/1130191075.db2.gz	BKXFFLMKWWANDH-UHFFFAOYSA-N	-1	0	299.370	3.507	20	30		CHEDRM
O=C([O-])[C@H]1CCC(=NOCc2ccccc2)c2ccccc21	ZINC000788976359	1130223928	/nfs/dbraw/zinc/22/39/28/1130223928.db2.gz	XLSKZEDVOQHPAP-INIZCTEOSA-N	-1	0	295.338	3.570	20	30		CHEDRM
O=C([O-])[C@H]1CCC(=NOC2CCCCC2)c2ccccc21	ZINC000789051527	1130229486	/nfs/dbraw/zinc/22/94/86/1130229486.db2.gz	RUJGPJZJMXMZEQ-HNNXBMFYSA-N	-1	0	287.359	3.702	20	30		CHEDRM
CC1=C[C@@H](C)C[C@@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000789639996	1130268156	/nfs/dbraw/zinc/26/81/56/1130268156.db2.gz	PDTPOFOXSQITFK-DGCLKSJQSA-N	-1	0	272.348	3.775	20	30		CHEDRM
CC[C@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000790180847	1130294267	/nfs/dbraw/zinc/29/42/67/1130294267.db2.gz	BBTFHGLSAAWQSD-ZETCQYMHSA-N	-1	0	275.179	3.811	20	30		CHEDRM
COc1ccc(F)c(F)c1-c1ccc(/C=N/[O-])c(F)c1	ZINC001240440060	1130313857	/nfs/dbraw/zinc/31/38/57/1130313857.db2.gz	XKZSKYRWVUBKKN-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
N#CCc1cccc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240548025	1130351359	/nfs/dbraw/zinc/35/13/59/1130351359.db2.gz	FLJRTVSSYURZRV-BQYQJAHWSA-N	-1	0	263.296	3.517	20	30		CHEDRM
C#C[C@H](CC)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000792570977	1130460442	/nfs/dbraw/zinc/46/04/42/1130460442.db2.gz	VPBCYDJQNJDBGI-MIJYTDESSA-N	-1	0	256.132	3.530	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc([O-])cc2F)n1	ZINC001206044248	1130465349	/nfs/dbraw/zinc/46/53/49/1130465349.db2.gz	GRBAWTWFJIAQTF-UHFFFAOYSA-N	-1	0	270.307	3.762	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1cncc(C(F)(F)F)c1	ZINC001240793630	1130474663	/nfs/dbraw/zinc/47/46/63/1130474663.db2.gz	ALYZGSVXAXYZQA-UHFFFAOYSA-N	-1	0	266.222	3.576	20	30		CHEDRM
C[C@@]1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCCS1	ZINC000792872084	1130503436	/nfs/dbraw/zinc/50/34/36/1130503436.db2.gz	LGPADUVKBABDQI-ZDUSSCGKSA-N	-1	0	298.795	3.722	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c2[nH]ccc21	ZINC001241002708	1130560385	/nfs/dbraw/zinc/56/03/85/1130560385.db2.gz	KZCBKKBRULOBLV-UHFFFAOYSA-N	-1	0	276.295	3.713	20	30		CHEDRM
C#CCCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000758357844	1130607741	/nfs/dbraw/zinc/60/77/41/1130607741.db2.gz	BWSUGFBDUUGPJU-CXUHLZMHSA-N	-1	0	270.159	3.921	20	30		CHEDRM
C#C[C@@H]1CCC[C@H]1Oc1ccc2[n-]c(=S)sc2c1	ZINC001234425856	1130643608	/nfs/dbraw/zinc/64/36/08/1130643608.db2.gz	XHVIMWCKGKTCFS-BXKDBHETSA-N	-1	0	275.398	3.766	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1ccccc1F	ZINC001234820875	1130678512	/nfs/dbraw/zinc/67/85/12/1130678512.db2.gz	ZKXREQQPDOYNQH-LLVKDONJSA-N	-1	0	259.280	3.774	20	30		CHEDRM
COc1ccc(F)cc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000812243061	1130678680	/nfs/dbraw/zinc/67/86/80/1130678680.db2.gz	BOPXKSUBNDBETL-GORDUTHDSA-N	-1	0	290.265	3.575	20	30		CHEDRM
CCC(Cc1ccccc1)N=Nc1ccccc1C(=O)[O-]	ZINC000812445901	1130695295	/nfs/dbraw/zinc/69/52/95/1130695295.db2.gz	FDCGPMAKVOIBNL-UHFFFAOYSA-N	-1	0	282.343	3.805	20	30		CHEDRM
CC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCCCC1	ZINC000781349487	1130714974	/nfs/dbraw/zinc/71/49/74/1130714974.db2.gz	DZTWWOWVGDZASN-UHFFFAOYSA-N	-1	0	272.348	3.563	20	30		CHEDRM
N#CCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001235268553	1130731591	/nfs/dbraw/zinc/73/15/91/1130731591.db2.gz	HBYOBJLPOWYVOY-BJMVGYQFSA-N	-1	0	263.296	3.517	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cn1	ZINC001235531749	1130751800	/nfs/dbraw/zinc/75/18/00/1130751800.db2.gz	MINXTZVBDMFRFV-BJMVGYQFSA-N	-1	0	292.338	3.648	20	30		CHEDRM
N#Cc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c2cc[nH]c21	ZINC001235622961	1130759045	/nfs/dbraw/zinc/75/90/45/1130759045.db2.gz	OABSYDUHCDSSQL-FPYGCLRLSA-N	-1	0	288.306	3.804	20	30		CHEDRM
O=C(/C=C/c1scnc1C1CC1)c1ccc([O-])c(F)c1	ZINC000782324972	1130772689	/nfs/dbraw/zinc/77/26/89/1130772689.db2.gz	JFROOEPUWURPGM-AATRIKPKSA-N	-1	0	289.331	3.761	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3c(F)cc(F)c([O-])c3F)cc12	ZINC001235998394	1130826486	/nfs/dbraw/zinc/82/64/86/1130826486.db2.gz	MTWKDMSEZPUUAU-UHFFFAOYSA-N	-1	0	288.228	3.829	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2c(F)cc(F)c([O-])c2F)cn1	ZINC001235997517	1130827280	/nfs/dbraw/zinc/82/72/80/1130827280.db2.gz	OTUYYMZUWRYFJJ-UHFFFAOYSA-N	-1	0	292.260	3.673	20	30		CHEDRM
[O-]c1c(F)cc(F)c(-c2cccc(CS)c2)c1F	ZINC001236002374	1130828780	/nfs/dbraw/zinc/82/87/80/1130828780.db2.gz	NTYFNHCGKCCFQP-UHFFFAOYSA-N	-1	0	270.275	3.906	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccsc2)c(Cl)c1	ZINC000783708247	1130849377	/nfs/dbraw/zinc/84/93/77/1130849377.db2.gz	WPXKJDAGHWTXFM-ARJAWSKDSA-N	-1	0	292.743	3.996	20	30		CHEDRM
CCc1cnc(/C=C\C(=O)c2cc(Cl)ccc2[O-])s1	ZINC000783710646	1130851425	/nfs/dbraw/zinc/85/14/25/1130851425.db2.gz	KYZZUMPIIIDDFE-WAYWQWQTSA-N	-1	0	293.775	3.961	20	30		CHEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])c(C)c2Cl)c1	ZINC001236129207	1130871152	/nfs/dbraw/zinc/87/11/52/1130871152.db2.gz	PDMPRGCTHSKEIC-UHFFFAOYSA-N	-1	0	285.730	3.780	20	30		CHEDRM
CCc1ccccc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814802268	1130912906	/nfs/dbraw/zinc/91/29/06/1130912906.db2.gz	ZCIGCTIAHMHWDS-YPMHNXCESA-N	-1	0	274.364	3.538	20	30		CHEDRM
C[C@@H]1C(=NNCCC(C)(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814901313	1130932026	/nfs/dbraw/zinc/93/20/26/1130932026.db2.gz	IAJOHZNRVQEUJJ-VXGBXAGGSA-N	-1	0	282.428	3.525	20	30		CHEDRM
CC(=NOCc1ccc(F)cc1)c1csc(C(=O)[O-])c1	ZINC000814903432	1130933239	/nfs/dbraw/zinc/93/32/39/1130933239.db2.gz	JBXHMQVBCZQJRE-UHFFFAOYSA-N	-1	0	293.319	3.526	20	30		CHEDRM
CC[C@@H](C)CON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814939113	1130941182	/nfs/dbraw/zinc/94/11/82/1130941182.db2.gz	FNLKRTPTKPQAAA-RTXFEEFZSA-N	-1	0	269.385	3.562	20	30		CHEDRM
CC1(C)CCC[C@@H]1NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814917926	1130942792	/nfs/dbraw/zinc/94/27/92/1130942792.db2.gz	WDBFIFWGIRDJQE-LBPRGKRZSA-N	-1	0	294.782	3.540	20	30		CHEDRM
N#CCc1ccccc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245371611	1130953514	/nfs/dbraw/zinc/95/35/14/1130953514.db2.gz	HRJCEKDOHADHKY-UHFFFAOYSA-N	-1	0	271.703	3.771	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nc1	ZINC000797569037	1130994076	/nfs/dbraw/zinc/99/40/76/1130994076.db2.gz	ZYVYNXYQZGRGOF-NSHDSACASA-N	-1	0	299.399	3.634	20	30		CHEDRM
C=CCC(F)(F)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000815893464	1131031356	/nfs/dbraw/zinc/03/13/56/1131031356.db2.gz	GLTXSTHPHUFLOX-UHFFFAOYSA-N	-1	0	296.100	3.849	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C\c2ccc(C#N)cc2)c([O-])c1	ZINC000799895052	1131113863	/nfs/dbraw/zinc/11/38/63/1131113863.db2.gz	JPPPXVCVCLWXHT-FPLPWBNLSA-N	-1	0	277.323	3.777	20	30		CHEDRM
C=CC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000832059291	1131535165	/nfs/dbraw/zinc/53/51/65/1131535165.db2.gz	MRUSQMHOZYYRIO-UHFFFAOYSA-N	-1	0	288.174	3.527	20	30		CHEDRM
C=CC[C@H](C)C(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC001144020791	1131572827	/nfs/dbraw/zinc/57/28/27/1131572827.db2.gz	NSORPWCLRFKKHW-QMMMGPOBSA-N	-1	0	278.402	3.736	20	30		CHEDRM
Cc1c(N=NC2CCC[C@H]3C[C@]32C)cccc1C(=O)[O-]	ZINC000844622617	1131586386	/nfs/dbraw/zinc/58/63/86/1131586386.db2.gz	HMKUYMWKWUANQA-MEDUHNTESA-N	-1	0	272.348	3.671	20	30		CHEDRM
Cc1c(N=NC2CC[C@H]2C2CCC2)cccc1C(=O)[O-]	ZINC000844622346	1131586489	/nfs/dbraw/zinc/58/64/89/1131586489.db2.gz	CISWTULQMIHKDS-ZDUSSCGKSA-N	-1	0	272.348	3.671	20	30		CHEDRM
CCc1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001202944393	1131613723	/nfs/dbraw/zinc/61/37/23/1131613723.db2.gz	VMIMSEMYTPECMD-UHFFFAOYSA-N	-1	0	299.305	3.609	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC001144589740	1131662797	/nfs/dbraw/zinc/66/27/97/1131662797.db2.gz	SITIZAHLBJKMMG-UONOGXRCSA-N	-1	0	291.391	3.508	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(Cl)c1F	ZINC001203034395	1131720683	/nfs/dbraw/zinc/72/06/83/1131720683.db2.gz	IANXAPMZGSVDRU-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009887	1131753696	/nfs/dbraw/zinc/75/36/96/1131753696.db2.gz	GYZKFZPMWARYAY-SECBINFHSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]ncc(=O)c1Cl	ZINC001228390945	1131875382	/nfs/dbraw/zinc/87/53/82/1131875382.db2.gz	QAXZSAZYIWKRCO-SCVCMEIPSA-N	-1	0	282.771	3.595	20	30		CHEDRM
O=C(C=Cc1cccc(OC(F)F)c1)c1sccc1[O-]	ZINC000773148021	1131962618	/nfs/dbraw/zinc/96/26/18/1131962618.db2.gz	GIEIJGLFOLPODD-SNAWJCMRSA-N	-1	0	296.294	3.951	20	30		CHEDRM
C=CCOc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000773151900	1131965491	/nfs/dbraw/zinc/96/54/91/1131965491.db2.gz	YWERFGVAFUKCJS-BQYQJAHWSA-N	-1	0	286.352	3.915	20	30		CHEDRM
C[C@@H](Oc1cc(C#N)ccc1Br)C1=CC=C[CH]1	ZINC001229230808	1132041645	/nfs/dbraw/zinc/04/16/45/1132041645.db2.gz	QGRAUMOHYPOPAT-SNVBAGLBSA-N	-1	0	289.152	3.789	20	30		CHEDRM
C=CC(C=C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210349	1132271101	/nfs/dbraw/zinc/27/11/01/1132271101.db2.gz	NBJHYJPRYVVSJM-UHFFFAOYSA-N	-1	0	280.323	3.743	20	30		CHEDRM
C=C(C)CNC(=S)[N-]c1ccc(C)cc1SC	ZINC000840857369	1132296129	/nfs/dbraw/zinc/29/61/29/1132296129.db2.gz	QXCIKUTZVWXRRF-UHFFFAOYSA-N	-1	0	266.435	3.579	20	30		CHEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1C[C@H]1C	ZINC000841605379	1132374933	/nfs/dbraw/zinc/37/49/33/1132374933.db2.gz	ZXXNMGIGPIRQQS-SCZZXKLOSA-N	-1	0	280.755	3.872	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919467	1132697985	/nfs/dbraw/zinc/69/79/85/1132697985.db2.gz	TZSCTKBPBBSXGE-WHOFXGATSA-N	-1	0	286.375	3.727	20	30		CHEDRM
CC[C@H](C)CC[C@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919277	1132698316	/nfs/dbraw/zinc/69/83/16/1132698316.db2.gz	DJMCBYZBZKEROU-JQWIXIFHSA-N	-1	0	262.353	3.561	20	30		CHEDRM
C=C(CC)CNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001161804558	1133030147	/nfs/dbraw/zinc/03/01/47/1133030147.db2.gz	WVVSZSCKESGVQL-UHFFFAOYSA-N	-1	0	289.762	3.895	20	30		CHEDRM
C=C[C@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001205690031	1133603846	/nfs/dbraw/zinc/60/38/46/1133603846.db2.gz	LERWORQTFTWTLU-INIZCTEOSA-N	-1	0	268.312	3.829	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206045108	1133648200	/nfs/dbraw/zinc/64/82/00/1133648200.db2.gz	FRWIMBMLZMBARL-UHFFFAOYSA-N	-1	0	287.265	3.705	20	30		CHEDRM
N#CCc1cc(F)cc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206057996	1133651371	/nfs/dbraw/zinc/65/13/71/1133651371.db2.gz	AHTFYHZHVJIKFQ-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209887226	1134094683	/nfs/dbraw/zinc/09/46/83/1134094683.db2.gz	XNNNOOCAGMYVMV-UHFFFAOYSA-N	-1	0	296.257	3.885	20	30		CHEDRM
Cc1cc(C)c(Nc2cc(F)cc(C(=O)[O-])c2)cc1C#N	ZINC001209893326	1134096424	/nfs/dbraw/zinc/09/64/24/1134096424.db2.gz	GYIVKNGMWZGFNA-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1cc(Nc2cc(C(=O)[O-])cc(F)c2C)ccc1C#N	ZINC001210006650	1134120895	/nfs/dbraw/zinc/12/08/95/1134120895.db2.gz	AZNPYTVCALQYGF-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
N#Cc1cc(NC2=CCC(F)(F)CC2)c([O-])cc1F	ZINC001210036060	1134129092	/nfs/dbraw/zinc/12/90/92/1134129092.db2.gz	MBSXAGTUOUHFCT-UHFFFAOYSA-N	-1	0	268.238	3.518	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1N(C)C	ZINC001210045501	1134133973	/nfs/dbraw/zinc/13/39/73/1134133973.db2.gz	VIHNANMZHZILHX-UHFFFAOYSA-N	-1	0	285.322	3.521	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210072006	1134140389	/nfs/dbraw/zinc/14/03/89/1134140389.db2.gz	RLADZUAEFQCEGO-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1c(F)c(F)ccc1Nc1scc([O-])c1C#N	ZINC001210130381	1134154156	/nfs/dbraw/zinc/15/41/56/1134154156.db2.gz	PNXHDANURCLFNJ-UHFFFAOYSA-N	-1	0	266.272	3.656	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1cccc([O-])c1Cl	ZINC001210854433	1134313794	/nfs/dbraw/zinc/31/37/94/1134313794.db2.gz	WNERSQVJWUKSJE-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
N#Cc1ccc(F)c(F)c1Nc1cccc([O-])c1Cl	ZINC001210860356	1134314706	/nfs/dbraw/zinc/31/47/06/1134314706.db2.gz	XLUBLUGHYPFOLZ-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cc(F)c(Nc2cccc([S-])c2)c(F)c1	ZINC001210950099	1134338058	/nfs/dbraw/zinc/33/80/58/1134338058.db2.gz	LAWZIQYWLXCEQB-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(C(F)(F)F)ccc1N	ZINC001211149485	1134381132	/nfs/dbraw/zinc/38/11/32/1134381132.db2.gz	DQBNXSGWOKAGNK-UHFFFAOYSA-N	-1	0	299.277	3.670	20	30		CHEDRM
N#Cc1cc(Nc2ccc3c(c2)CCCC3=O)c([O-])cc1F	ZINC001213105441	1134427832	/nfs/dbraw/zinc/42/78/32/1134427832.db2.gz	BDBDVTQJQRVHBY-UHFFFAOYSA-N	-1	0	296.301	3.666	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(OCC(F)F)cc1	ZINC001213303527	1134440025	/nfs/dbraw/zinc/44/00/25/1134440025.db2.gz	ZDMHWIQIKUAVFA-UHFFFAOYSA-N	-1	0	296.298	3.713	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213627971	1134470994	/nfs/dbraw/zinc/47/09/94/1134470994.db2.gz	VHQHBIHXKCPAJG-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(CCC(=O)[O-])cc2)cc1F	ZINC001213635415	1134471890	/nfs/dbraw/zinc/47/18/90/1134471890.db2.gz	JNWIUWGFIIKMHR-UHFFFAOYSA-N	-1	0	298.317	3.767	20	30		CHEDRM
COc1cccc(C#N)c1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214489967	1134545289	/nfs/dbraw/zinc/54/52/89/1134545289.db2.gz	KWZLIHJDKBLDCS-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
COc1cc(Nc2ccc(OC)c(C#N)c2)ccc1[S-]	ZINC001215006224	1134593356	/nfs/dbraw/zinc/59/33/56/1134593356.db2.gz	BYOLMUIVDWFSTA-UHFFFAOYSA-N	-1	0	286.356	3.608	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215278827	1134613723	/nfs/dbraw/zinc/61/37/23/1134613723.db2.gz	MJZYEVQHBCCXOB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCCOc1ccc(Nc2scc([O-])c2C#N)c(F)c1	ZINC001215488853	1134632645	/nfs/dbraw/zinc/63/26/45/1134632645.db2.gz	LEBWKVOTPZKNOI-UHFFFAOYSA-N	-1	0	292.335	3.997	20	30		CHEDRM
CCCOc1ccc(F)c([N-]c2onc(C)c2C#N)c1F	ZINC001215567813	1134643060	/nfs/dbraw/zinc/64/30/60/1134643060.db2.gz	NSEVDTGTGTVHPF-UHFFFAOYSA-N	-1	0	293.273	3.665	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ncc(Cl)cc1O	ZINC001215645690	1134655478	/nfs/dbraw/zinc/65/54/78/1134655478.db2.gz	TXTKVAUQDRJWBZ-UHFFFAOYSA-N	-1	0	273.723	3.673	20	30		CHEDRM
CN(C)c1ccc(Nc2scc([O-])c2C#N)cc1Cl	ZINC001216058438	1134763497	/nfs/dbraw/zinc/76/34/97/1134763497.db2.gz	HJMBTVMSIPNZHG-UHFFFAOYSA-N	-1	0	293.779	3.788	20	30		CHEDRM
COc1cc(Nc2ccc(C)c(C#N)c2)ccc1[S-]	ZINC001216076938	1134768688	/nfs/dbraw/zinc/76/86/88/1134768688.db2.gz	PDMIXXAZRVKMQI-UHFFFAOYSA-N	-1	0	270.357	3.908	20	30		CHEDRM
COc1ccc(C#N)c(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1	ZINC001216311278	1134845468	/nfs/dbraw/zinc/84/54/68/1134845468.db2.gz	GKYBWEWIHNENSZ-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
CCc1cc(Nc2scc([O-])c2C#N)ccc1C#N	ZINC001216315659	1134848745	/nfs/dbraw/zinc/84/87/45/1134848745.db2.gz	ACTQKEYOXXDPGJ-UHFFFAOYSA-N	-1	0	269.329	3.503	20	30		CHEDRM
N#Cc1cccc(-c2noc(-c3c([O-])cccc3Cl)n2)c1	ZINC001216522055	1134914568	/nfs/dbraw/zinc/91/45/68/1134914568.db2.gz	CMKHTKUTXJTWEK-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
Cc1cc(C)c(Nc2cccc(C(=O)[O-])c2C)cc1C#N	ZINC001216662240	1134942222	/nfs/dbraw/zinc/94/22/22/1134942222.db2.gz	FIXZIWONTIJOSP-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
N#CC1(c2cccc(-c3c(F)cc(C(=O)[O-])cc3F)c2)CC1	ZINC001222403189	1135236640	/nfs/dbraw/zinc/23/66/40/1135236640.db2.gz	NFAXWZZNCCGBJU-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
N#Cc1c[nH]c2cc(-c3c(F)cc(C(=O)[O-])cc3F)ccc12	ZINC001222407829	1135237439	/nfs/dbraw/zinc/23/74/39/1135237439.db2.gz	KJGFNMCGSZYVPN-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cccnc1F	ZINC001223592538	1135363603	/nfs/dbraw/zinc/36/36/03/1135363603.db2.gz	BYUPNZNYSIIYHR-ZHNMFKIJSA-N	-1	0	294.713	3.788	20	30		CHEDRM
[O-]/N=C(\O[C@H]1CCc2cccnc21)c1ccc(Cl)cc1	ZINC001223593831	1135363899	/nfs/dbraw/zinc/36/38/99/1135363899.db2.gz	PIKXFSMGZXMWPU-VLFBTDHHSA-N	-1	0	288.734	3.575	20	30		CHEDRM
CC[C@@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)(C)C	ZINC001223893033	1135394066	/nfs/dbraw/zinc/39/40/66/1135394066.db2.gz	PHSYDJVHMGAIJE-XEVXXXDWSA-N	-1	0	295.379	3.681	20	30		CHEDRM
N#C[C@@H](Oc1ccccc1[S-])c1ccccc1F	ZINC001225586431	1135591453	/nfs/dbraw/zinc/59/14/53/1135591453.db2.gz	DWAGHBTWTUFTBW-CYBMUJFWSA-N	-1	0	259.305	3.758	20	30		CHEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(Cl)c1	ZINC001226007831	1135651986	/nfs/dbraw/zinc/65/19/86/1135651986.db2.gz	AOLHWYQCZOPRPP-QMMMGPOBSA-N	-1	0	292.697	3.591	20	30		CHEDRM
C=C[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)c1ccccc1	ZINC001227605512	1135849484	/nfs/dbraw/zinc/84/94/84/1135849484.db2.gz	IPZLGDJWSFCLFP-SECBINFHSA-N	-1	0	297.141	3.795	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc2occc2c1	ZINC000349108025	226547284	/nfs/dbraw/zinc/54/72/84/226547284.db2.gz	KQDOONSIYMPXGG-DAFODLJHSA-N	-1	0	290.278	3.568	20	30		CHEDRM
CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330756162	264030332	/nfs/dbraw/zinc/03/03/32/264030332.db2.gz	GZIXHKOXOQNZJP-YGRLFVJLSA-N	-1	0	292.335	3.574	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000184840802	328538632	/nfs/dbraw/zinc/53/86/32/328538632.db2.gz	COEQDMYPPNLJFD-SECBINFHSA-N	-1	0	253.729	3.586	20	30		CHEDRM
N#Cc1cccc(/C=C\C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000255691267	327005164	/nfs/dbraw/zinc/00/51/64/327005164.db2.gz	BKZADWIDBHJTRW-FPLPWBNLSA-N	-1	0	298.729	3.569	20	30		CHEDRM
C=CCCCCSc1n[n-]c(=NCc2ccco2)s1	ZINC000564531732	327461315	/nfs/dbraw/zinc/46/13/15/327461315.db2.gz	ALKYGUBLUKODMI-UHFFFAOYSA-N	-1	0	295.433	3.614	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)cn2)n1	ZINC000422122053	330125563	/nfs/dbraw/zinc/12/55/63/330125563.db2.gz	PIJZJSRRXGWRLN-LBPRGKRZSA-N	-1	0	299.399	3.634	20	30		CHEDRM
N#Cc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc1	ZINC000439266059	330736180	/nfs/dbraw/zinc/73/61/80/330736180.db2.gz	ARIAGPHZUGCLCX-YVMONPNESA-N	-1	0	290.278	3.568	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)oc1C	ZINC000129434363	333763615	/nfs/dbraw/zinc/76/36/15/333763615.db2.gz	TVVUSMPXBJWRGL-LLVKDONJSA-N	-1	0	288.372	3.966	20	30		CHEDRM
N#CC1(c2cccc(-c3ccccc3C(=O)[O-])c2)CC1	ZINC000573252753	334921741	/nfs/dbraw/zinc/92/17/41/334921741.db2.gz	HBKWPYJETOLGCR-UHFFFAOYSA-N	-1	0	263.296	3.607	20	30		CHEDRM
CC(C)c1cc(C(=O)NCCCC#N)c(O)c(C(C)C)c1	ZINC000581314614	336046974	/nfs/dbraw/zinc/04/69/74/336046974.db2.gz	XVMFJZSIBALFMT-UHFFFAOYSA-N	-1	0	288.391	3.673	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1ccc(C(=O)[O-])cc1	ZINC000052903096	526519883	/nfs/dbraw/zinc/51/98/83/526519883.db2.gz	RFXFQWSCOVJRHF-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1ccc(C(=O)[O-])cc1	ZINC000052856136	526554946	/nfs/dbraw/zinc/55/49/46/526554946.db2.gz	UQZYBYNOVCQJGY-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1cccc(C(=O)[O-])c1	ZINC000062784887	526636719	/nfs/dbraw/zinc/63/67/19/526636719.db2.gz	KGQBGKFIBWRBET-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
CN(C(=O)[O-])c1ccc(Nc2cccc(F)c2C#N)cc1	ZINC000737335904	599706079	/nfs/dbraw/zinc/70/60/79/599706079.db2.gz	MCYZIVUHAQZDBB-UHFFFAOYSA-N	-1	0	285.278	3.555	20	30		CHEDRM
CC(=NOCc1cc(C(=O)[O-])co1)c1cc2ccccc2o1	ZINC000736125364	599844047	/nfs/dbraw/zinc/84/40/47/599844047.db2.gz	HWHALEHFXOFJSY-UHFFFAOYSA-N	-1	0	299.282	3.665	20	30		CHEDRM
C=CCCCCCN(C)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000736097303	600600566	/nfs/dbraw/zinc/60/05/66/600600566.db2.gz	FBBVQCQSMNIWAK-UHFFFAOYSA-N	-1	0	290.363	3.595	20	30		CHEDRM
N#Cc1ccccc1S[C@H](C(=O)[O-])c1ccccc1F	ZINC000833076627	600729574	/nfs/dbraw/zinc/72/95/74/600729574.db2.gz	KPRIMNYXQYMDBY-AWEZNQCLSA-N	-1	0	287.315	3.615	20	30		CHEDRM
CC(C)(C(=O)[O-])c1ccc(N=Cc2ccccc2O)cc1	ZINC000736230924	600816469	/nfs/dbraw/zinc/81/64/69/600816469.db2.gz	VWSBSOOURUHUTH-UHFFFAOYSA-N	-1	0	283.327	3.505	20	30		CHEDRM
Cc1cc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc(C)c1F	ZINC000738320542	600816991	/nfs/dbraw/zinc/81/69/91/600816991.db2.gz	UJOHSPJILFBWAY-ARJAWSKDSA-N	-1	0	288.274	3.630	20	30		CHEDRM
N#Cc1ccc(SCc2cccc(C(=O)[O-])c2)c(F)c1	ZINC000739132984	600987278	/nfs/dbraw/zinc/98/72/78/600987278.db2.gz	XVIMCLANJYKPEL-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000827112430	601791750	/nfs/dbraw/zinc/79/17/50/601791750.db2.gz	IRIBBSUEGPCIDR-FPYGCLRLSA-N	-1	0	283.327	3.732	20	30		CHEDRM
N#Cc1cccc(SCc2ccccc2C(=O)[O-])c1	ZINC000833075483	602290521	/nfs/dbraw/zinc/29/05/21/602290521.db2.gz	SKOVTIJEXFFXRC-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
O=C([O-])N1CCc2cccc(/C=C/C(=O)c3ccccc3)c21	ZINC000831292963	603813019	/nfs/dbraw/zinc/81/30/19/603813019.db2.gz	UNYFTCIOYLISJT-MDZDMXLPSA-N	-1	0	293.322	3.623	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000201075123	604626085	/nfs/dbraw/zinc/62/60/85/604626085.db2.gz	NRQIKPMRZIPWHB-IZZDOVSWSA-N	-1	0	266.296	3.589	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)s1	ZINC000830244846	604629109	/nfs/dbraw/zinc/62/91/09/604629109.db2.gz	IKLANVQOQDBWRM-MDZDMXLPSA-N	-1	0	286.352	3.905	20	30		CHEDRM
CC(N=Nc1ccccc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814684460	604632882	/nfs/dbraw/zinc/63/28/82/604632882.db2.gz	USQAEBBPBUANHG-GFCCVEGCSA-N	-1	0	262.353	3.756	20	30		CHEDRM
C=C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000190873804	604664212	/nfs/dbraw/zinc/66/42/12/604664212.db2.gz	VFBQZQFQEXKCBL-CYBMUJFWSA-N	-1	0	295.338	3.683	20	30		CHEDRM
CC(C)c1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763370404	604666532	/nfs/dbraw/zinc/66/65/32/604666532.db2.gz	PIBSVRFWPQQBER-UHFFFAOYSA-N	-1	0	297.358	3.739	20	30		CHEDRM
C=C(CC)CS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000833371042	605009386	/nfs/dbraw/zinc/00/93/86/605009386.db2.gz	VDJUIIDRLXRXLX-NSHDSACASA-N	-1	0	295.404	3.600	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000398198797	605251720	/nfs/dbraw/zinc/25/17/20/605251720.db2.gz	DPXYHVMJBHTNJX-LBPRGKRZSA-N	-1	0	290.363	3.560	20	30		CHEDRM
C[C@H]1CCCC[C@H]1CN=Nc1ccccc1C(=O)[O-]	ZINC000783817360	605329161	/nfs/dbraw/zinc/32/91/61/605329161.db2.gz	SEIWQYPPGRDFND-RYUDHWBXSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C#CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000833362054	605577125	/nfs/dbraw/zinc/57/71/25/605577125.db2.gz	XCLXGIRHXYSWPU-UHFFFAOYSA-N	-1	0	293.750	3.560	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1C	ZINC000731312699	605592519	/nfs/dbraw/zinc/59/25/19/605592519.db2.gz	RAEIJVQKCRXBEP-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C)cc1	ZINC000833386997	605593657	/nfs/dbraw/zinc/59/36/57/605593657.db2.gz	IVUGLPJQATUILW-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
CCCCCCC[C@H](C)CNC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001589645355	949725640	/nfs/dbraw/zinc/72/56/40/949725640.db2.gz	YJDWPINFYAMKEM-GUYCJALGSA-N	-1	0	297.439	3.600	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c(C)s1	ZINC000008322635	956885525	/nfs/dbraw/zinc/88/55/25/956885525.db2.gz	GWIRAJVAWHOKFW-VMPITWQZSA-N	-1	0	286.352	3.959	20	30		CHEDRM
C=C(Cl)COc1c(C(=O)[O-])ccc2ccccc21	ZINC000042373558	957411058	/nfs/dbraw/zinc/41/10/58/957411058.db2.gz	VAHGOVQPXIQEJQ-UHFFFAOYSA-N	-1	0	262.692	3.669	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)C(CC)(CC)C(=O)[O-]	ZINC001573328243	958497882	/nfs/dbraw/zinc/49/78/82/958497882.db2.gz	DNHZAIBXKZJBFU-UHFFFAOYSA-N	-1	0	289.375	3.635	20	30		CHEDRM
Cc1ccc(SCCC2(C(=O)[O-])CCC2)c(C#N)c1	ZINC001594377995	958608100	/nfs/dbraw/zinc/60/81/00/958608100.db2.gz	OLUSKXJARWRDHA-UHFFFAOYSA-N	-1	0	275.373	3.604	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000128546901	958667256	/nfs/dbraw/zinc/66/72/56/958667256.db2.gz	PNDCZSBYLFTZDI-UHFFFAOYSA-N	-1	0	297.439	3.840	20	30		CHEDRM
C=CCCCCCOc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000234869134	960375173	/nfs/dbraw/zinc/37/51/73/960375173.db2.gz	WAKSNVLNODPRFL-PKNBQFBNSA-N	-1	0	290.359	3.918	20	30		CHEDRM
C=CCCCCCOc1cnc(Cl)cc1C(=O)[O-]	ZINC001573367464	963067460	/nfs/dbraw/zinc/06/74/60/963067460.db2.gz	WNMABCJSMWYZGB-UHFFFAOYSA-N	-1	0	269.728	3.558	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000313740403	967962837	/nfs/dbraw/zinc/96/28/37/967962837.db2.gz	BVXOOUCOKKTSPK-GJZGRUSLSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCC1	ZINC000630329774	975257452	/nfs/dbraw/zinc/25/74/52/975257452.db2.gz	MUMJSCCPCDZVEL-LSDHHAIUSA-N	-1	0	299.370	3.560	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1	ZINC001591943135	976475331	/nfs/dbraw/zinc/47/53/31/976475331.db2.gz	DSUKBQCFIUPKAR-FPLPWBNLSA-N	-1	0	284.311	3.997	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1	ZINC001591943657	976482120	/nfs/dbraw/zinc/48/21/20/976482120.db2.gz	OTFIKDDROGCMOS-BQYQJAHWSA-N	-1	0	284.311	3.997	20	30		CHEDRM
CC(CC1CCC1)N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001592460268	978182731	/nfs/dbraw/zinc/18/27/31/978182731.db2.gz	UFHGPYKCUXJMCC-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CC(CCC(=O)[O-])N=Nc1ccnc2cc(Cl)ccc12	ZINC001592470987	978227791	/nfs/dbraw/zinc/22/77/91/978227791.db2.gz	SQOGUBICIALJIX-UHFFFAOYSA-N	-1	0	291.738	3.541	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC=CCc1ccccc1	ZINC000756905463	978701625	/nfs/dbraw/zinc/70/16/25/978701625.db2.gz	APMUNPUBDZGFEN-BPNKNNACSA-N	-1	0	296.326	3.505	20	30		CHEDRM
CCCC(N=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000763367577	978720574	/nfs/dbraw/zinc/72/05/74/978720574.db2.gz	CDBSGRGWICMYOF-UHFFFAOYSA-N	-1	0	289.379	3.928	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cc3c(s2)CCC3)c1	ZINC000774135359	978746432	/nfs/dbraw/zinc/74/64/32/978746432.db2.gz	JQCFAWVGPAOZDF-FPLPWBNLSA-N	-1	0	298.363	3.831	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\Cc3cc(Cl)ccc3C2=O)c1	ZINC000774131670	978746513	/nfs/dbraw/zinc/74/65/13/978746513.db2.gz	RERKXEMBSGURBZ-NTUHNPAUSA-N	-1	0	298.725	3.861	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccsc1Cl	ZINC000790149650	978798576	/nfs/dbraw/zinc/79/85/76/978798576.db2.gz	NBLLSAZELBPDKQ-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
CC(C)[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000794525688	978812840	/nfs/dbraw/zinc/81/28/40/978812840.db2.gz	FPZNGRHWYNMUFJ-OAHLLOKOSA-N	-1	0	297.358	3.617	20	30		CHEDRM
C[C@H]1c2ccccc2C(=O)/C1=C\c1cccc(C(=O)[O-])c1	ZINC000809155667	978854010	/nfs/dbraw/zinc/85/40/10/978854010.db2.gz	CSYRWNLZUSPCDM-OKHBPPCESA-N	-1	0	278.307	3.768	20	30		CHEDRM
C[C@@H](CSc1ccc(C(=O)[O-])nc1C#N)c1ccccc1	ZINC001592829763	979550572	/nfs/dbraw/zinc/55/05/72/979550572.db2.gz	ANHXDZWSBSDHEC-NSHDSACASA-N	-1	0	298.367	3.547	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000908250528	981289534	/nfs/dbraw/zinc/28/95/34/981289534.db2.gz	TVEUVAZRKLTVTH-UONOGXRCSA-N	-1	0	287.359	3.549	20	30		CHEDRM
CCCCCCCC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1	ZINC001595704988	982281530	/nfs/dbraw/zinc/28/15/30/982281530.db2.gz	MMPXMPHNSKWFAJ-UHFFFAOYSA-N	-1	0	298.770	3.732	20	30		CHEDRM
CCCCCCC[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001595705304	982283668	/nfs/dbraw/zinc/28/36/68/982283668.db2.gz	VHJTWMLIVQVUOW-LBPRGKRZSA-N	-1	0	279.384	3.583	20	30		CHEDRM
C=C(C)CCC(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC001588559111	983639522	/nfs/dbraw/zinc/63/95/22/983639522.db2.gz	IZDMJDCOIIARPI-UHFFFAOYSA-N	-1	0	293.388	3.548	20	30		CHEDRM
C=C[C@H](Nc1ccc(C)c(Oc2cc(C)ccn2)c1)C(=O)[O-]	ZINC001588702024	983917812	/nfs/dbraw/zinc/91/78/12/983917812.db2.gz	GOBGXNUQCCQNKT-AWEZNQCLSA-N	-1	0	298.342	3.542	20	30		CHEDRM
C=C[C@@H](Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)[O-]	ZINC001588702335	983919962	/nfs/dbraw/zinc/91/99/62/983919962.db2.gz	QIJYSCQYHCUDHD-CYBMUJFWSA-N	-1	0	271.316	3.615	20	30		CHEDRM
C=C[C@@H](SCc1c(Cl)cccc1Cl)C(=O)[O-]	ZINC001588715370	983954955	/nfs/dbraw/zinc/95/49/55/983954955.db2.gz	WTUSHJIPMMEOMX-SNVBAGLBSA-N	-1	0	277.172	3.866	20	30		CHEDRM
C=CC1(CC(=O)Nc2sccc2C(=O)[O-])CCCCC1	ZINC001588718384	983956228	/nfs/dbraw/zinc/95/62/28/983956228.db2.gz	ACQOVMJADJIFRS-UHFFFAOYSA-N	-1	0	293.388	3.911	20	30		CHEDRM
C=CC[C@H](Sc1cc(C)c2ccccc2n1)C(=O)[O-]	ZINC001588759309	984110718	/nfs/dbraw/zinc/11/07/18/984110718.db2.gz	ROQDRYSDPOMQTN-ZDUSSCGKSA-N	-1	0	273.357	3.665	20	30		CHEDRM
C=CCCCCCOc1ccc(N(C)C)c(C(=O)[O-])c1	ZINC001588799797	984241841	/nfs/dbraw/zinc/24/18/41/984241841.db2.gz	ITLJPUVMHLXMEY-UHFFFAOYSA-N	-1	0	277.364	3.576	20	30		CHEDRM
CCCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000049054871	1125491210	/nfs/dbraw/zinc/49/12/10/1125491210.db2.gz	JEODTQSUJCDNEX-AWEZNQCLSA-N	-1	0	284.384	3.894	20	30		CHEDRM
O=C(C=Cc1cccc(F)c1F)c1sccc1[O-]	ZINC000588598795	1119528925	/nfs/dbraw/zinc/52/89/25/1119528925.db2.gz	CIWXWKQVZAMWCT-PLNGDYQASA-N	-1	0	266.268	3.628	20	30		CHEDRM
CSc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001599811768	988348680	/nfs/dbraw/zinc/34/86/80/988348680.db2.gz	ABHNDJFWSPNWND-QPJJXVBHSA-N	-1	0	288.324	3.596	20	30		CHEDRM
CC(C)C(C)(C)S[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590968596	991091134	/nfs/dbraw/zinc/09/11/34/991091134.db2.gz	RDGLZYKBNOWGRQ-CYBMUJFWSA-N	-1	0	277.389	3.852	20	30		CHEDRM
C[C@@H](NN=C1CCC[C@@H](CCCC(=O)[O-])C1)C(C)(C)C	ZINC001593318166	994828634	/nfs/dbraw/zinc/82/86/34/994828634.db2.gz	BLQRDAJFKVFJNZ-OLZOCXBDSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@H](Sc1nc(C(=O)[O-])cs1)c1ccc(C#N)cc1	ZINC001593680095	996106228	/nfs/dbraw/zinc/10/62/28/996106228.db2.gz	SOYATUNFNQJOMF-QMMMGPOBSA-N	-1	0	290.369	3.566	20	30		CHEDRM
C[C@H]1C/C(=C/c2cc(C(=O)[O-])co2)C(=O)c2ccccc21	ZINC001594195994	998760115	/nfs/dbraw/zinc/76/01/15/998760115.db2.gz	FNKYGVNWQKPUTI-QBQSQJOESA-N	-1	0	282.295	3.751	20	30		CHEDRM
[O-]c1c(Cl)cc(CN2CCC(S)CC2)cc1Cl	ZINC001140833661	1131942329	/nfs/dbraw/zinc/94/23/29/1131942329.db2.gz	FAYLODSWLZDXPW-UHFFFAOYSA-N	-1	0	292.231	3.593	20	30		CHEDRM
Cc1cccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1C	ZINC001202705977	1125524637	/nfs/dbraw/zinc/52/46/37/1125524637.db2.gz	QZYBVFXDEHVRBY-UHFFFAOYSA-N	-1	0	299.305	3.664	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211964783	1125530883	/nfs/dbraw/zinc/53/08/83/1125530883.db2.gz	BGWWSPVDDBMTPZ-UHFFFAOYSA-N	-1	0	297.701	3.525	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211965037	1125531056	/nfs/dbraw/zinc/53/10/56/1125531056.db2.gz	KOKUWCLYDLPZQW-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211965326	1125531876	/nfs/dbraw/zinc/53/18/76/1125531876.db2.gz	ZETULIFCYJYZQV-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
COc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1F	ZINC000757467596	1125755768	/nfs/dbraw/zinc/75/57/68/1125755768.db2.gz	GVTNDEXTUYMOHC-QPJJXVBHSA-N	-1	0	286.302	3.744	20	30		CHEDRM
COc1ccsc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000184772242	1129248485	/nfs/dbraw/zinc/24/84/85/1129248485.db2.gz	CEIJNRSZRBUAPJ-NSCUHMNNSA-N	-1	0	296.294	3.637	20	30		CHEDRM
C#CCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000768370517	1129854500	/nfs/dbraw/zinc/85/45/00/1129854500.db2.gz	KIMDFYXOKVRFNB-UHFFFAOYSA-N	-1	0	286.158	3.687	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000907630145	1126981559	/nfs/dbraw/zinc/98/15/59/1126981559.db2.gz	VPZJCROSXIDHIE-GFCCVEGCSA-N	-1	0	275.348	3.542	20	30		CHEDRM
Cc1cn2c(/C=C/C(=O)c3ccccc3[O-])c(C)nc2s1	ZINC000156604440	1127159643	/nfs/dbraw/zinc/15/96/43/1127159643.db2.gz	XYVKREIIILBNDG-BQYQJAHWSA-N	-1	0	298.367	3.614	20	30		CHEDRM
O=C(/C=C/c1ccc2ncccc2c1)c1ccc(O)cc1[O-]	ZINC000156638940	1127162787	/nfs/dbraw/zinc/16/27/87/1127162787.db2.gz	ZJGBXBUGMSELNV-XBXARRHUSA-N	-1	0	291.306	3.542	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2ccc(C#N)s2)c1	ZINC000156696723	1127166786	/nfs/dbraw/zinc/16/67/86/1127166786.db2.gz	JHDBRJBKXKYLDL-FNORWQNLSA-N	-1	0	269.325	3.530	20	30		CHEDRM
CSc1cccc(NC(=O)c2cc(O)cc(C#N)c2)c1C	ZINC000589197371	1127215399	/nfs/dbraw/zinc/21/53/99/1127215399.db2.gz	UKARIMVZIYEUJY-UHFFFAOYSA-N	-1	0	298.367	3.547	20	30		CHEDRM
C[C@@H]1COCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000760989203	1127356511	/nfs/dbraw/zinc/35/65/11/1127356511.db2.gz	AHZIBDFTZQOCPX-LMVPRVAZSA-N	-1	0	288.174	3.543	20	30		CHEDRM
N#CC1(c2ccccc2-c2cccc(C(=O)[O-])c2)CC1	ZINC000592968400	1127363431	/nfs/dbraw/zinc/36/34/31/1127363431.db2.gz	NFTZRHZQLUWTPZ-UHFFFAOYSA-N	-1	0	263.296	3.607	20	30		CHEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000046927963	1127467762	/nfs/dbraw/zinc/46/77/62/1127467762.db2.gz	FAQKTDUECCIIIQ-ZDUSSCGKSA-N	-1	0	297.420	3.857	20	30		CHEDRM
CCC(C)(C)c1n[n-]c(=N[C@H](CCC#N)c2ccccc2)o1	ZINC000603318686	1127641253	/nfs/dbraw/zinc/64/12/53/1127641253.db2.gz	XAEMILJGHKMNCG-CQSZACIVSA-N	-1	0	298.390	3.636	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2Cl)s1	ZINC000007333293	1127689291	/nfs/dbraw/zinc/68/92/91/1127689291.db2.gz	YAURNYBMNNUPAN-AATRIKPKSA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)C(C)C	ZINC000172018992	1127741382	/nfs/dbraw/zinc/74/13/82/1127741382.db2.gz	WUBZSLYQZHEWIH-BXUZGUMPSA-N	-1	0	296.370	3.660	20	30		CHEDRM
CCC[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000173915735	1127860498	/nfs/dbraw/zinc/86/04/98/1127860498.db2.gz	YTPPHODUAQWQND-SMDDNHRTSA-N	-1	0	296.370	3.804	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000176378827	1128073301	/nfs/dbraw/zinc/07/33/01/1128073301.db2.gz	RYBMTHZFINKDHT-RMKNXTFCSA-N	-1	0	283.283	3.505	20	30		CHEDRM
C#CCCc1noc(-c2cc(Cl)c3ccccc3c2[O-])n1	ZINC000762015180	1128262268	/nfs/dbraw/zinc/26/22/68/1128262268.db2.gz	XTXCPQCSJSHISN-UHFFFAOYSA-N	-1	0	298.729	3.815	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2CCCC2)c1[O-]	ZINC000914702181	1128232826	/nfs/dbraw/zinc/23/28/26/1128232826.db2.gz	YQGHIDBSPLJLPJ-OVCLIPMQSA-N	-1	0	282.727	3.563	20	30		CHEDRM
Cc1ccc(F)cc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000777915373	1128323057	/nfs/dbraw/zinc/32/30/57/1128323057.db2.gz	LCPOIZDMJQPBGM-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1cc(C)c(O)c(C)c1)O2	ZINC000915989111	1128401792	/nfs/dbraw/zinc/40/17/92/1128401792.db2.gz	YEFBXSSCOKVWON-VIZOYTHASA-N	-1	0	296.322	3.639	20	30		CHEDRM
Cc1ccsc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915991154	1128401976	/nfs/dbraw/zinc/40/19/76/1128401976.db2.gz	WRTHDHRDYPWFKS-VOTSOKGWSA-N	-1	0	286.352	3.580	20	30		CHEDRM
CC(CCc1ccccc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000916240936	1128412160	/nfs/dbraw/zinc/41/21/60/1128412160.db2.gz	WYLURVYGBKKIJI-UHFFFAOYSA-N	-1	0	282.343	3.805	20	30		CHEDRM
O=C([O-])c1cc(N=NC[C@@H]2CC=CCC2)ccc1Cl	ZINC000916259358	1128412238	/nfs/dbraw/zinc/41/22/38/1128412238.db2.gz	HMUYBGLZSAQQBH-SNVBAGLBSA-N	-1	0	278.739	3.792	20	30		CHEDRM
CC[C@H](C)C(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916259268	1128412415	/nfs/dbraw/zinc/41/24/15/1128412415.db2.gz	ABSUQWSLDYGXLJ-QMMMGPOBSA-N	-1	0	268.744	3.872	20	30		CHEDRM
CCc1ccc(C(CC)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763369192	1128418742	/nfs/dbraw/zinc/41/87/42/1128418742.db2.gz	SFEBZNQBLKZDCB-UHFFFAOYSA-N	-1	0	297.358	3.568	20	30		CHEDRM
Cc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000917559271	1128505890	/nfs/dbraw/zinc/50/58/90/1128505890.db2.gz	JGIFLRVOAQAIGK-HJPCULJESA-N	-1	0	284.315	3.789	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccsc1)c1nc2ccccc2o1	ZINC000920115539	1128666186	/nfs/dbraw/zinc/66/61/86/1128666186.db2.gz	GSAAQZMYNJJGMR-FJOGCWAESA-N	-1	0	294.335	3.779	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCCCO1	ZINC000920387525	1128679965	/nfs/dbraw/zinc/67/99/65/1128679965.db2.gz	QQVRMHTXKQXXNS-PFJSLNBISA-N	-1	0	288.174	3.687	20	30		CHEDRM
Cc1ccccc1[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920943865	1128695690	/nfs/dbraw/zinc/69/56/90/1128695690.db2.gz	BVBFYZWDVSDKDS-NJPLLEPOSA-N	-1	0	284.315	3.789	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1F	ZINC000175321431	1128723310	/nfs/dbraw/zinc/72/33/10/1128723310.db2.gz	FKTOFBYRNBCPQS-DAFODLJHSA-N	-1	0	296.219	3.845	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)[O-])cc1	ZINC000578523902	1128720062	/nfs/dbraw/zinc/72/00/62/1128720062.db2.gz	VCDRHQCTZFZUET-HKUYNNGSSA-N	-1	0	289.334	3.514	20	30		CHEDRM
CCCCCCCCNC(=O)c1cccc(F)c1[O-]	ZINC001266263445	1117774449	/nfs/dbraw/zinc/77/44/49/1117774449.db2.gz	HUNOMYYPCGOIQI-UHFFFAOYSA-N	-1	0	267.344	3.622	20	30		CHEDRM
O=C(/C=C\c1ccc(Cl)cc1)c1ccc(O)cc1[O-]	ZINC000216312317	1128748416	/nfs/dbraw/zinc/74/84/16/1128748416.db2.gz	AQASVHPTJNWRJB-BAQGIRSFSA-N	-1	0	274.703	3.647	20	30		CHEDRM
O=C1c2ccccc2CC/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000255146227	1118323350	/nfs/dbraw/zinc/32/33/50/1118323350.db2.gz	PWVXDUQQKYXMAK-KPKJPENVSA-N	-1	0	286.277	3.883	20	30		CHEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cccc([S-])c1	ZINC001210950173	1118430989	/nfs/dbraw/zinc/43/09/89/1118430989.db2.gz	NMMPMQLFXYUQJF-UHFFFAOYSA-N	-1	0	265.341	3.771	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccoc2)s1	ZINC000430614942	1118623272	/nfs/dbraw/zinc/62/32/72/1118623272.db2.gz	ANUFVTWGHBYVPE-SNVBAGLBSA-N	-1	0	274.345	3.524	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccco2)s1	ZINC000430631620	1118658129	/nfs/dbraw/zinc/65/81/29/1118658129.db2.gz	VMCRAMCGNQKXBJ-VIFPVBQESA-N	-1	0	274.345	3.524	20	30		CHEDRM
Cc1c(C#N)cccc1Nc1c([O-])cc(F)cc1F	ZINC001216176552	1118852385	/nfs/dbraw/zinc/85/23/85/1118852385.db2.gz	VYYTXGAETQLGHB-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
O=C(/C=C\c1ccc(O)cc1)c1ccc([O-])c(Cl)c1	ZINC000588480357	1118910661	/nfs/dbraw/zinc/91/06/61/1118910661.db2.gz	SVIOMHKNZCHFOE-CLTKARDFSA-N	-1	0	274.703	3.647	20	30		CHEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)s1	ZINC000588480288	1118910690	/nfs/dbraw/zinc/91/06/90/1118910690.db2.gz	PRNUUNGXSKBZDH-XQRVVYSFSA-N	-1	0	289.743	3.875	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc(C)c1O	ZINC000255442488	1118943878	/nfs/dbraw/zinc/94/38/78/1118943878.db2.gz	NOOYCXPWVNDWLS-HYXAFXHYSA-N	-1	0	286.302	3.750	20	30		CHEDRM
C=CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728438998	1118947282	/nfs/dbraw/zinc/94/72/82/1118947282.db2.gz	TTWSVGXYTJKANC-WEVVVXLNSA-N	-1	0	298.313	3.992	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000728438993	1118947421	/nfs/dbraw/zinc/94/74/21/1118947421.db2.gz	SWLWTZBARYNSEH-ALCCZGGFSA-N	-1	0	256.276	3.736	20	30		CHEDRM
Cc1cc(Nc2c(Cl)cccc2C#N)cc(C(=O)[O-])c1	ZINC001211544857	1119077348	/nfs/dbraw/zinc/07/73/48/1119077348.db2.gz	LRYMJAADMIPRQG-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccoc1C(=O)/C=C\c1cccc(C(=O)[O-])c1Cl	ZINC000588559650	1119260703	/nfs/dbraw/zinc/26/07/03/1119260703.db2.gz	VQRPKFNWAHGYSM-WAYWQWQTSA-N	-1	0	290.702	3.836	20	30		CHEDRM
C#Cc1cc(Nc2ccc(C)c(C(=O)[O-])c2)ccc1F	ZINC001211603667	1119439369	/nfs/dbraw/zinc/43/93/69/1119439369.db2.gz	CMZCKOZQQFATBR-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
C=CCCCNc1ccc(Br)cc1C(=O)[O-]	ZINC000309134887	1119624519	/nfs/dbraw/zinc/62/45/19/1119624519.db2.gz	KSPUPBLQDUKPAE-UHFFFAOYSA-N	-1	0	284.153	3.525	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)o1	ZINC000647371186	1119698572	/nfs/dbraw/zinc/69/85/72/1119698572.db2.gz	LYKABMORKIGGHA-GFCCVEGCSA-N	-1	0	286.356	3.720	20	30		CHEDRM
N#CC(=C([O-])c1ccsc1)c1nc(C2CC2)cs1	ZINC000647374152	1119701311	/nfs/dbraw/zinc/70/13/11/1119701311.db2.gz	XEFRMOQDRGXUBD-JTQLQIEISA-N	-1	0	274.370	3.572	20	30		CHEDRM
Cc1sccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380120	1119712073	/nfs/dbraw/zinc/71/20/73/1119712073.db2.gz	LWASGCMGQBTYMO-NSHDSACASA-N	-1	0	288.397	3.881	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379599	1119712372	/nfs/dbraw/zinc/71/23/72/1119712372.db2.gz	YEVIAJILBYOKPC-LLVKDONJSA-N	-1	0	286.356	3.666	20	30		CHEDRM
CC[C@H](Cc1cccc(-c2ccsc2C#N)c1)C(=O)[O-]	ZINC000565235642	1120146326	/nfs/dbraw/zinc/14/63/26/1120146326.db2.gz	HTGJHIIFHHQLRT-GFCCVEGCSA-N	-1	0	285.368	3.940	20	30		CHEDRM
O=C(/C=C/c1cccnc1Cl)c1ccc([O-])c(Cl)c1	ZINC000119262168	1120195975	/nfs/dbraw/zinc/19/59/75/1120195975.db2.gz	KQTAIIJTVRQVHL-HWKANZROSA-N	-1	0	294.137	3.990	20	30		CHEDRM
O=C(/C=C/c1ccc(F)nc1)c1ccc2ccccc2c1[O-]	ZINC000186418374	1120398820	/nfs/dbraw/zinc/39/88/20/1120398820.db2.gz	XSQFAEIWZNOEPW-WEVVVXLNSA-N	-1	0	293.297	3.976	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)cc(F)c1C#N	ZINC001174985706	1121142119	/nfs/dbraw/zinc/14/21/19/1121142119.db2.gz	FEHFLPBZCWFJOQ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cs1	ZINC001175316761	1121280376	/nfs/dbraw/zinc/28/03/76/1121280376.db2.gz	SDEOBPIAMJTZJG-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175321711	1121282293	/nfs/dbraw/zinc/28/22/93/1121282293.db2.gz	XKZFEGJXULWKLW-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
COc1cccc2[nH]c(Nc3cc(C#N)c(F)cc3[O-])cc21	ZINC001176066490	1121546475	/nfs/dbraw/zinc/54/64/75/1121546475.db2.gz	PSXXCEPVNVZIPI-UHFFFAOYSA-N	-1	0	297.289	3.636	20	30		CHEDRM
Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1C#N	ZINC001176587930	1121648768	/nfs/dbraw/zinc/64/87/68/1121648768.db2.gz	CJQOKVKDPOOYEX-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC001176714406	1121690677	/nfs/dbraw/zinc/69/06/77/1121690677.db2.gz	CGYVLHDLSPPXFG-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc(C(=O)[O-])cc2)c1	ZINC001176715260	1121691437	/nfs/dbraw/zinc/69/14/37/1121691437.db2.gz	KVKLBARZBJJNLR-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)ccc1F	ZINC000729150951	1121759866	/nfs/dbraw/zinc/75/98/66/1121759866.db2.gz	RBWOZHNTNZJTBG-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
C=CC[C@@H](CCCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225494193	1121790433	/nfs/dbraw/zinc/79/04/33/1121790433.db2.gz	OWRCXADTCABRKW-LBPRGKRZSA-N	-1	0	265.309	3.814	20	30		CHEDRM
Cc1ccc2c(c1)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])CC2	ZINC000730146972	1121794317	/nfs/dbraw/zinc/79/43/17/1121794317.db2.gz	IYGCHKQNVBNJRL-LTKMBJGESA-N	-1	0	296.326	3.715	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc(F)c(F)c2)cs1	ZINC000730148256	1121795218	/nfs/dbraw/zinc/79/52/18/1121795218.db2.gz	CVUHRWGVXQTVPT-RQOWECAXSA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2(C3CC3)CC2)c1[O-]	ZINC000751522763	1121799552	/nfs/dbraw/zinc/79/95/52/1121799552.db2.gz	JDDKRRBNAVTVCS-FRKPEAEDSA-N	-1	0	294.738	3.563	20	30		CHEDRM
CCC(Cc1cccs1)N=Nc1ccccc1C(=O)[O-]	ZINC000730947254	1121837343	/nfs/dbraw/zinc/83/73/43/1121837343.db2.gz	JYFJDQQYBXYDDS-UHFFFAOYSA-N	-1	0	288.372	3.867	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000731156793	1121850765	/nfs/dbraw/zinc/85/07/65/1121850765.db2.gz	MDTLWYFJOUUYFR-WAYWQWQTSA-N	-1	0	292.381	3.966	20	30		CHEDRM
C=CCCCCCSc1nc(C(F)F)cc(=O)[nH]1	ZINC000572565497	1129015907	/nfs/dbraw/zinc/01/59/07/1129015907.db2.gz	YXFUTDKBLDHMPM-UHFFFAOYSA-N	-1	0	274.336	3.958	20	30		CHEDRM
Cc1ccc2c(c1)C/C(=C/c1cccc(C(=O)[O-])c1)C2=O	ZINC000774127822	1122131525	/nfs/dbraw/zinc/13/15/25/1122131525.db2.gz	WKHAFNAKPQPMQC-DHDCSXOGSA-N	-1	0	278.307	3.516	20	30		CHEDRM
C=CCN(Cc1ccccc1)C(=O)c1ccc(CC)cc1O	ZINC000436798453	1122582128	/nfs/dbraw/zinc/58/21/28/1122582128.db2.gz	TYNHPFBKBGGPGI-UHFFFAOYSA-N	-1	0	295.382	3.783	20	30		CHEDRM
C=CCC(C)(C)CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000436948816	1122597644	/nfs/dbraw/zinc/59/76/44/1122597644.db2.gz	VZIKGZMADWWXJX-UHFFFAOYSA-N	-1	0	285.746	3.517	20	30		CHEDRM
N#Cc1ccc2nccc(-c3ccsc3C(=O)[O-])c2c1	ZINC001205580060	1122629645	/nfs/dbraw/zinc/62/96/45/1122629645.db2.gz	RJQDFDKPFLKMBG-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CC(C)c1ccccc1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193493185	1122693047	/nfs/dbraw/zinc/69/30/47/1122693047.db2.gz	AOYWMAIZDWAJFE-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519410	1122714279	/nfs/dbraw/zinc/71/42/79/1122714279.db2.gz	WAIBCHQFXSONCO-CQSZACIVSA-N	-1	0	297.420	3.689	20	30		CHEDRM
C[C@@H](Oc1cccc([S-])c1)c1ccccc1C#N	ZINC001226014442	1122745323	/nfs/dbraw/zinc/74/53/23/1122745323.db2.gz	UHQMSDQWEQJFFA-LLVKDONJSA-N	-1	0	255.342	3.987	20	30		CHEDRM
C=C[C@H](C#CC(C)(C)C)OCc1ccc(C(=O)[O-])cc1	ZINC001205690835	1122859399	/nfs/dbraw/zinc/85/93/99/1122859399.db2.gz	QEBUDABWPVOCOY-OAHLLOKOSA-N	-1	0	272.344	3.506	20	30		CHEDRM
CCc1cccc(CC)c1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195758219	1122884974	/nfs/dbraw/zinc/88/49/74/1122884974.db2.gz	LEBRBXDAVVIFOW-UHFFFAOYSA-N	-1	0	294.354	3.641	20	30		CHEDRM
Cc1cccc(C)c1NC(=S)Nc1cc(C#N)ccc1[O-]	ZINC001198357018	1122989337	/nfs/dbraw/zinc/98/93/37/1122989337.db2.gz	DTEJFLCQZFWKNC-UHFFFAOYSA-N	-1	0	297.383	3.690	20	30		CHEDRM
CO[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000840707971	1123694501	/nfs/dbraw/zinc/69/45/01/1123694501.db2.gz	YXVKFYDALHBONO-RVWHDZECSA-N	-1	0	288.174	3.543	20	30		CHEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])cc1F)C(C)(F)F	ZINC000863117945	1123846540	/nfs/dbraw/zinc/84/65/40/1123846540.db2.gz	HWAQYTYLIGZCAI-UHFFFAOYSA-N	-1	0	288.269	3.603	20	30		CHEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])[C@@H](C)O1	ZINC000864346877	1123924485	/nfs/dbraw/zinc/92/44/85/1123924485.db2.gz	FYJLIFGXSUQBCS-IHSCUVCCSA-N	-1	0	288.174	3.684	20	30		CHEDRM
CCC(CCC(F)(F)F)N=Nc1cccc(C(=O)[O-])c1	ZINC000872325381	1124705268	/nfs/dbraw/zinc/70/52/68/1124705268.db2.gz	OWKSQWAKRZXNHN-UHFFFAOYSA-N	-1	0	288.269	3.905	20	30		CHEDRM
Cc1c(N=NC[C@@H]2CCC(F)(F)C2)cccc1C(=O)[O-]	ZINC000872387058	1124711014	/nfs/dbraw/zinc/71/10/14/1124711014.db2.gz	JWOYWZGDCIBTPC-SNVBAGLBSA-N	-1	0	282.290	3.526	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239245557	1131306466	/nfs/dbraw/zinc/30/64/66/1131306466.db2.gz	PMHBMWMSRWUTIS-UHFFFAOYSA-N	-1	0	284.290	3.581	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239261126	1131307501	/nfs/dbraw/zinc/30/75/01/1131307501.db2.gz	HUBMCSAOBYWDKY-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
CCn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001123337430	1131311161	/nfs/dbraw/zinc/31/11/61/1131311161.db2.gz	QNURJRKHVZFWOK-JFBXQDQPSA-N	-1	0	289.354	3.513	20	30		CHEDRM
Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc(C)c1C#N	ZINC001239346144	1131319968	/nfs/dbraw/zinc/31/99/68/1131319968.db2.gz	MLGIVFJGBIJCQE-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
C=C(C)[C@H](N=c1[n-]nc(C(C)C)o1)c1ccc(F)c(F)c1	ZINC000450462140	1125029097	/nfs/dbraw/zinc/02/90/97/1125029097.db2.gz	YTDYBRAGKOAJKP-ZDUSSCGKSA-N	-1	0	293.317	3.622	20	30		CHEDRM
CCc1cc(=O)[nH]c(CS[C@H](C)c2cccc(C#N)c2)n1	ZINC000190810863	1125273936	/nfs/dbraw/zinc/27/39/36/1125273936.db2.gz	CFICHHNHJJARNF-LLVKDONJSA-N	-1	0	299.399	3.611	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccs2)n1	ZINC000177775292	1125279862	/nfs/dbraw/zinc/27/98/62/1125279862.db2.gz	YYKCPLGDUHSTCS-VIFPVBQESA-N	-1	0	276.386	3.818	20	30		CHEDRM
CCCc1cc(C)nc(O[C@@H](C)C2=CC=C[CH]2)c1C#N	ZINC001228599548	1125282222	/nfs/dbraw/zinc/28/22/22/1125282222.db2.gz	KBLOOVNPGVMHEA-ZDUSSCGKSA-N	-1	0	267.352	3.682	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC(C)(C)C	ZINC000127539953	1125318244	/nfs/dbraw/zinc/31/82/44/1125318244.db2.gz	CALVRBBULPCLOA-CYBMUJFWSA-N	-1	0	296.370	3.804	20	30		CHEDRM
O=C(/C=C/c1cncs1)c1ccc2ccccc2c1[O-]	ZINC000130114105	1125356239	/nfs/dbraw/zinc/35/62/39/1125356239.db2.gz	CQQATKPAGITMIJ-SOFGYWHQSA-N	-1	0	281.336	3.898	20	30		CHEDRM
CON=C(C)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1	ZINC000760250454	1125360063	/nfs/dbraw/zinc/36/00/63/1125360063.db2.gz	NASOAHIOWRRUQB-UHFFFAOYSA-N	-1	0	285.299	3.548	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2ccc(F)cc2)c(Cl)c1	ZINC000783783436	1125372996	/nfs/dbraw/zinc/37/29/96/1125372996.db2.gz	JCKYQTWEXDIRAP-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CCCC=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000735203732	1129334953	/nfs/dbraw/zinc/33/49/53/1129334953.db2.gz	LXUNGSKTQIIJIO-SEIPJRMCSA-N	-1	0	294.354	3.724	20	30		CHEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1cccc(OC)c1	ZINC000740760606	1129417737	/nfs/dbraw/zinc/41/77/37/1129417737.db2.gz	YNBDDHANJLJEHM-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1	ZINC000741466477	1129436825	/nfs/dbraw/zinc/43/68/25/1129436825.db2.gz	SRXSBSNFVLSHLD-YAFRSCOQSA-N	-1	0	276.336	3.688	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1cc(F)c(F)cc1F	ZINC001241111519	1129450461	/nfs/dbraw/zinc/45/04/61/1129450461.db2.gz	HKILEUKHGMENSM-UHFFFAOYSA-N	-1	0	251.207	3.579	20	30		CHEDRM
Cc1ccccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647371446	1129576336	/nfs/dbraw/zinc/57/63/36/1129576336.db2.gz	QORPOVMCXFRGGW-ZDUSSCGKSA-N	-1	0	282.368	3.819	20	30		CHEDRM
Cc1coc(Nc2c(Cl)ccc([O-])c2F)c1C#N	ZINC001214559718	1129646475	/nfs/dbraw/zinc/64/64/75/1129646475.db2.gz	UEOUPAUINDAQOP-UHFFFAOYSA-N	-1	0	266.659	3.701	20	30		CHEDRM
Cc1cc(C#N)cnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242126851	1129658853	/nfs/dbraw/zinc/65/88/53/1129658853.db2.gz	SWHHGPZRMQRJJC-UHFFFAOYSA-N	-1	0	278.233	3.653	20	30		CHEDRM
CCc1cnc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)s1	ZINC000768759039	1129872269	/nfs/dbraw/zinc/87/22/69/1129872269.db2.gz	WNZMSHBGOGNZMO-AATRIKPKSA-N	-1	0	293.775	3.961	20	30		CHEDRM
CCC[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000769589605	1129918743	/nfs/dbraw/zinc/91/87/43/1129918743.db2.gz	NLDAGCSAGOMLIW-AWEZNQCLSA-N	-1	0	297.358	3.761	20	30		CHEDRM
CC(=NNc1cc(F)c(F)c(F)c1)c1sccc1[O-]	ZINC000769791722	1129925555	/nfs/dbraw/zinc/92/55/55/1129925555.db2.gz	SBHIKRPRKCHOLX-UHFFFAOYSA-N	-1	0	286.278	3.707	20	30		CHEDRM
CCCC(=CC(=O)Nc1cc(C#N)ccc1[O-])CCC	ZINC000770863511	1129960525	/nfs/dbraw/zinc/96/05/25/1129960525.db2.gz	RCJAECUXOLMDKU-UHFFFAOYSA-N	-1	0	272.348	3.729	20	30		CHEDRM
O=C(C=Cc1cc(F)ccc1F)c1sccc1[O-]	ZINC000771745464	1129988840	/nfs/dbraw/zinc/98/88/40/1129988840.db2.gz	UHAPSAGFUUQUIP-DAFODLJHSA-N	-1	0	266.268	3.628	20	30		CHEDRM
O=C(C=Cc1ccccc1OC(F)F)c1sccc1[O-]	ZINC000771746278	1129989097	/nfs/dbraw/zinc/98/90/97/1129989097.db2.gz	ZBDIAJQLOPBLFX-AATRIKPKSA-N	-1	0	296.294	3.951	20	30		CHEDRM
O=C(C=Cc1ccc(OC(F)F)cc1)c1sccc1[O-]	ZINC000771744715	1129989144	/nfs/dbraw/zinc/98/91/44/1129989144.db2.gz	MODRIVNAENBTCS-ZZXKWVIFSA-N	-1	0	296.294	3.951	20	30		CHEDRM
[O-]/N=C/c1ccc(-c2cc(F)cc(F)c2)cc1F	ZINC001239657744	1130036227	/nfs/dbraw/zinc/03/62/27/1130036227.db2.gz	QREBLGJJUHJPIC-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
C=CCOc1ccc(-c2cccc([O-])c2Cl)nc1C#N	ZINC001242799896	1130055708	/nfs/dbraw/zinc/05/57/08/1130055708.db2.gz	AADPJDAQJNDSFA-UHFFFAOYSA-N	-1	0	286.718	3.544	20	30		CHEDRM
Cc1oc(C(C)C)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000802892106	1130060298	/nfs/dbraw/zinc/06/02/98/1130060298.db2.gz	ZMXDSNAVOLGGBE-UHFFFAOYSA-N	-1	0	284.315	3.541	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2cc(F)ccc2F)c1	ZINC001239712810	1130067121	/nfs/dbraw/zinc/06/71/21/1130067121.db2.gz	OURQMRKPIPUJNF-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
N#CCc1ccncc1-c1cc(Cl)c([O-])c(Cl)c1	ZINC001242853093	1130092081	/nfs/dbraw/zinc/09/20/81/1130092081.db2.gz	LHBPIMMYPXGCQR-UHFFFAOYSA-N	-1	0	279.126	3.827	20	30		CHEDRM
CCCCCCCc1cn(CCCCCCC(=O)[O-])nn1	ZINC001254094779	1130217710	/nfs/dbraw/zinc/21/77/10/1130217710.db2.gz	ZZQSFJCFAYETAL-UHFFFAOYSA-N	-1	0	295.427	3.826	20	30		CHEDRM
Cc1cc(F)ccc1/C=C1\Cc2cc(O)ccc2C1=O	ZINC000780188506	1130233806	/nfs/dbraw/zinc/23/38/06/1130233806.db2.gz	MJLUIJQBQCPROU-NTUHNPAUSA-N	-1	0	268.287	3.662	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1ccnc(C(F)(F)F)c1	ZINC001240341240	1130270208	/nfs/dbraw/zinc/27/02/08/1130270208.db2.gz	OVPJUICPKJVFBC-UHFFFAOYSA-N	-1	0	266.222	3.576	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cn1	ZINC001240549987	1130352217	/nfs/dbraw/zinc/35/22/17/1130352217.db2.gz	KSMYRQHFWLERFR-RMKNXTFCSA-N	-1	0	292.338	3.648	20	30		CHEDRM
N#Cc1c(F)ccc(-c2cccc(/C=C/C(=O)[O-])c2)c1F	ZINC001240551013	1130353310	/nfs/dbraw/zinc/35/33/10/1130353310.db2.gz	PVYZZYGOEBKGAH-QPJJXVBHSA-N	-1	0	285.249	3.601	20	30		CHEDRM
N#Cc1cnc(-c2cc(F)ccc2[O-])c2ccccc12	ZINC001240693234	1130421250	/nfs/dbraw/zinc/42/12/50/1130421250.db2.gz	IMWCVBGXQUOYSV-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
N#CCOc1ccccc1Nc1ccccc1[S-]	ZINC001212600497	1130468076	/nfs/dbraw/zinc/46/80/76/1130468076.db2.gz	XCWDNALFCHZILN-UHFFFAOYSA-N	-1	0	256.330	3.621	20	30		CHEDRM
N#Cc1c(F)c(F)c(-c2ccc([O-])c(F)c2)c(F)c1F	ZINC001240786701	1130469552	/nfs/dbraw/zinc/46/95/52/1130469552.db2.gz	QFPBJPKZYCSSMU-UHFFFAOYSA-N	-1	0	285.171	3.626	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(CCC#N)c1	ZINC001241001196	1130558173	/nfs/dbraw/zinc/55/81/73/1130558173.db2.gz	VKNGPZFYIVQVCM-UHFFFAOYSA-N	-1	0	265.312	3.816	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccnc2ccc(C#N)cc21	ZINC001241001221	1130558616	/nfs/dbraw/zinc/55/86/16/1130558616.db2.gz	WMFDKIGDFMXJLR-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc([C@@H](C)C#N)cc1	ZINC001241002490	1130559541	/nfs/dbraw/zinc/55/95/41/1130559541.db2.gz	DMIWFAUPOFCIIL-LBPRGKRZSA-N	-1	0	265.312	3.987	20	30		CHEDRM
C=CCCC(N=Nc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000747735565	1130635256	/nfs/dbraw/zinc/63/52/56/1130635256.db2.gz	BQPCRESGWYNVBT-UHFFFAOYSA-N	-1	0	258.321	3.529	20	30		CHEDRM
O=C([O-])c1cccc(N=NC=CCc2ccc(F)cc2)c1	ZINC000747735628	1130635783	/nfs/dbraw/zinc/63/57/83/1130635783.db2.gz	FNRJFGXTNLRIBE-LQZWJWGFSA-N	-1	0	284.290	3.635	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000759092220	1130635971	/nfs/dbraw/zinc/63/59/71/1130635971.db2.gz	WZHMZPDTXUOWKR-FNORWQNLSA-N	-1	0	289.312	3.566	20	30		CHEDRM
O=C(/C=C/c1nc(Cl)cs1)c1ccc([O-])c(F)c1	ZINC000759085768	1130636349	/nfs/dbraw/zinc/63/63/49/1130636349.db2.gz	YBCYMDTYGQHKLN-ONEGZZNKSA-N	-1	0	283.711	3.537	20	30		CHEDRM
C#C[C@H]1CCC[C@H]1Oc1ccc2[n-]c(=S)sc2c1	ZINC001234425862	1130643751	/nfs/dbraw/zinc/64/37/51/1130643751.db2.gz	XHVIMWCKGKTCFS-JOYOIKCWSA-N	-1	0	275.398	3.766	20	30		CHEDRM
CC(C)[C@@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000747755983	1130663185	/nfs/dbraw/zinc/66/31/85/1130663185.db2.gz	ZFERXOZXBHDPOM-NSHDSACASA-N	-1	0	260.337	3.609	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccc(Cl)cc2)c1	ZINC000759716880	1130671382	/nfs/dbraw/zinc/67/13/82/1130671382.db2.gz	FHYHAZDIVHOFEM-YWEYNIOJSA-N	-1	0	298.729	3.569	20	30		CHEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1ccccc1[N+](=O)[O-]	ZINC001234818669	1130678881	/nfs/dbraw/zinc/67/88/81/1130678881.db2.gz	CLRRUVSTAMZODM-LLVKDONJSA-N	-1	0	286.287	3.543	20	30		CHEDRM
COc1ccc(F)cc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000812243682	1130679681	/nfs/dbraw/zinc/67/96/81/1130679681.db2.gz	RMNAHHRCRFDQER-QHHAFSJGSA-N	-1	0	290.265	3.575	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C)s1	ZINC000812445219	1130691079	/nfs/dbraw/zinc/69/10/79/1130691079.db2.gz	NDOVDIKUBCDOSN-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235621772	1130758273	/nfs/dbraw/zinc/75/82/73/1130758273.db2.gz	DZFPAYRFPQAHLU-FPYGCLRLSA-N	-1	0	281.286	3.657	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cc(F)ccc2F)c1	ZINC000782201305	1130762052	/nfs/dbraw/zinc/76/20/52/1130762052.db2.gz	SPEXYBXKHIYOGI-DUXPYHPUSA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=C(/C=C\c1scnc1C1CC1)c1ccc(F)cc1[O-]	ZINC000782348095	1130774088	/nfs/dbraw/zinc/77/40/88/1130774088.db2.gz	POZKYPMTHOKPKM-WAYWQWQTSA-N	-1	0	289.331	3.761	20	30		CHEDRM
N#CCc1cccc(-c2c(F)cc(F)c([O-])c2F)c1F	ZINC001235997994	1130827442	/nfs/dbraw/zinc/82/74/42/1130827442.db2.gz	JENNOPQZZLRTRK-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccc(Cl)cc2F)cc1	ZINC000783511369	1130833217	/nfs/dbraw/zinc/83/32/17/1130833217.db2.gz	OMZVVHPKIGDFDX-UHFFFAOYSA-N	-1	0	292.697	3.623	20	30		CHEDRM
CC(CCC(F)(F)F)N=Nc1ccc(C(=O)[O-])cc1	ZINC000783771159	1130853551	/nfs/dbraw/zinc/85/35/51/1130853551.db2.gz	SCTUADRQSDDFTC-UHFFFAOYSA-N	-1	0	274.242	3.515	20	30		CHEDRM
Cc1c(Cl)c(-c2nccc(C#N)c2C)ccc1C(=O)[O-]	ZINC001236112979	1130868378	/nfs/dbraw/zinc/86/83/78/1130868378.db2.gz	IBJHZQXURBSOJD-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
CSCCCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814690043	1130900539	/nfs/dbraw/zinc/90/05/39/1130900539.db2.gz	RDSXHVOLZSWZFR-UHFFFAOYSA-N	-1	0	286.784	3.579	20	30		CHEDRM
Cc1c(Cl)cccc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814802199	1130913256	/nfs/dbraw/zinc/91/32/56/1130913256.db2.gz	VTUAPPDTACSIOW-MWLCHTKSSA-N	-1	0	294.782	3.937	20	30		CHEDRM
Cc1ccc(F)c(-c2cc(C(F)(F)F)cc(C#N)n2)c1[O-]	ZINC001236394402	1130926467	/nfs/dbraw/zinc/92/64/67/1130926467.db2.gz	XNKXRJGXZWKBKM-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
C[C@H]1C(=NOC2CCCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814910140	1130929765	/nfs/dbraw/zinc/92/97/65/1130929765.db2.gz	QYGZPMHLKKNQDF-AAEUAGOBSA-N	-1	0	281.396	3.849	20	30		CHEDRM
CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748003355	1130994881	/nfs/dbraw/zinc/99/48/81/1130994881.db2.gz	NLPXLUZCXWFNKM-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCCc2ccccc2)c1	ZINC000798068800	1131023356	/nfs/dbraw/zinc/02/33/56/1131023356.db2.gz	XEFUQOWQWMBWAM-AQTBWJFISA-N	-1	0	298.342	3.742	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000815815028	1131025024	/nfs/dbraw/zinc/02/50/24/1131025024.db2.gz	HTZXPTQUYWPRSV-UHFFFAOYSA-N	-1	0	276.361	3.657	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@](C)(CCCCCC)C(=O)[O-]	ZINC000799244685	1131077422	/nfs/dbraw/zinc/07/74/22/1131077422.db2.gz	GIPGOSUBPGCLJO-CJNGLKHVSA-N	-1	0	283.412	3.519	20	30		CHEDRM
CCc1cccc(C)c1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000799493556	1131089372	/nfs/dbraw/zinc/08/93/72/1131089372.db2.gz	HENXPZZXFJRREQ-UHFFFAOYSA-N	-1	0	299.330	3.617	20	30		CHEDRM
C=C(C)C[N@@H+](CC)Cc1cc(Cl)c([O-])cc1F	ZINC001238149636	1131172521	/nfs/dbraw/zinc/17/25/21/1131172521.db2.gz	KEUKVDWJWRXSOS-UHFFFAOYSA-N	-1	0	257.736	3.583	20	30		CHEDRM
Cc1c(N=NC[C@@H](C)CC(C)C)cccc1C(=O)[O-]	ZINC000844622501	1131586507	/nfs/dbraw/zinc/58/65/07/1131586507.db2.gz	DXNNZXCOWCPKMK-NSHDSACASA-N	-1	0	262.353	3.773	20	30		CHEDRM
COCC(CC(C)(C)C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624066	1131586709	/nfs/dbraw/zinc/58/67/09/1131586709.db2.gz	UHLNTMPABDTDIU-UHFFFAOYSA-N	-1	0	292.379	3.544	20	30		CHEDRM
C=C[C@@H](CCCCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227716023	1131728290	/nfs/dbraw/zinc/72/82/90/1131728290.db2.gz	JANCTJKKSCXJBQ-RYUDHWBXSA-N	-1	0	292.379	3.677	20	30		CHEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2sccc21)c1ccccc1	ZINC001227844889	1131749740	/nfs/dbraw/zinc/74/97/40/1131749740.db2.gz	DIJPLAWPEQPEKP-GFCCVEGCSA-N	-1	0	284.340	3.703	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]ncc(=O)c2Cl)C1	ZINC001228387927	1131872426	/nfs/dbraw/zinc/87/24/26/1131872426.db2.gz	RYBXFOUKESNAPP-PWSUYJOCSA-N	-1	0	280.755	3.515	20	30		CHEDRM
C#C[C@@H](C)Oc1ccccc1C([O-])=CC(=O)c1ccccc1	ZINC001228508179	1131899456	/nfs/dbraw/zinc/89/94/56/1131899456.db2.gz	DHDYSMSQRNTELZ-CQSZACIVSA-N	-1	0	292.334	3.543	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])ccc1F	ZINC000773142993	1131960578	/nfs/dbraw/zinc/96/05/78/1131960578.db2.gz	KVPUQONVCCYIHJ-HYXAFXHYSA-N	-1	0	262.305	3.797	20	30		CHEDRM
COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1C	ZINC000773144061	1131961702	/nfs/dbraw/zinc/96/17/02/1131961702.db2.gz	VRDJIDDNLPGHCR-MDZDMXLPSA-N	-1	0	268.312	3.605	20	30		CHEDRM
COc1ccccc1C=CC=CC(=O)c1sccc1[O-]	ZINC000773150022	1131964371	/nfs/dbraw/zinc/96/43/71/1131964371.db2.gz	OUBRLSYFMKRRSE-JHMJBTLWSA-N	-1	0	286.352	3.915	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc[n-]c(=O)c2Cl)C1	ZINC001230013682	1132144732	/nfs/dbraw/zinc/14/47/32/1132144732.db2.gz	HZVCHRNBDYGUAZ-MNOVXSKESA-N	-1	0	280.755	3.515	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCC(C(F)F)CC2)c1	ZINC000840710561	1132274718	/nfs/dbraw/zinc/27/47/18/1132274718.db2.gz	KEGHLVJZJVDWHD-IUXPMGMMSA-N	-1	0	298.289	3.543	20	30		CHEDRM
C=C(C)C(=O)Nc1ccc(O[C@H](C)C2=CC=C[CH]2)cc1	ZINC001231318866	1132280488	/nfs/dbraw/zinc/28/04/88/1132280488.db2.gz	YOOVWOPGZFDHCE-CYBMUJFWSA-N	-1	0	268.336	3.669	20	30		CHEDRM
CC(C)(C)c1nsc([N-]c2cc(C#N)ccc2F)n1	ZINC001214590614	1132305516	/nfs/dbraw/zinc/30/55/16/1132305516.db2.gz	QTNNPEVUYPIHQP-UHFFFAOYSA-N	-1	0	276.340	3.590	20	30		CHEDRM
N#CC(=C([O-])C=C1CCCC1)c1nc(C2CC2)cs1	ZINC000842943241	1132480536	/nfs/dbraw/zinc/48/05/36/1132480536.db2.gz	UCGSLVOGTOJJNV-GFCCVEGCSA-N	-1	0	272.373	3.697	20	30		CHEDRM
N#Cc1ccc(NC(=O)c2cc3ccccc3s2)c(O)c1	ZINC001149806083	1132546861	/nfs/dbraw/zinc/54/68/61/1132546861.db2.gz	XSZLZPWYSNKJET-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
N#CCC(=O)c1ccccc1O[C@H](CC#N)c1ccccc1	ZINC001233524433	1132631765	/nfs/dbraw/zinc/63/17/65/1132631765.db2.gz	NVWVDNQRVBRBDK-QGZVFWFLSA-N	-1	0	290.322	3.817	20	30		CHEDRM
C=C[C@@H](CCCCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919364	1132698741	/nfs/dbraw/zinc/69/87/41/1132698741.db2.gz	KZUFWRPFXOSWBG-ZDUSSCGKSA-N	-1	0	274.364	3.871	20	30		CHEDRM
N#CCc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001174496370	1132862986	/nfs/dbraw/zinc/86/29/86/1132862986.db2.gz	IOHJNOFMTMHOSZ-RMKNXTFCSA-N	-1	0	278.311	3.594	20	30		CHEDRM
N#Cc1cc(Nc2ccc(N3CCCC3)cc2)c([O-])cc1F	ZINC001174529465	1132889996	/nfs/dbraw/zinc/88/99/96/1132889996.db2.gz	MXTNQCJVQOMELY-UHFFFAOYSA-N	-1	0	297.333	3.747	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203286876	1133309922	/nfs/dbraw/zinc/30/99/22/1133309922.db2.gz	VRXIFNNHRSXDMU-UHFFFAOYSA-N	-1	0	296.257	3.885	20	30		CHEDRM
N#Cc1c(-c2ccsc2C(=O)[O-])ccc2ncccc12	ZINC001205609698	1133594039	/nfs/dbraw/zinc/59/40/39/1133594039.db2.gz	CAVFNCOUKHITGT-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#CC1(c2ccc(-c3cc(F)c(F)c(C(=O)[O-])c3)cc2)CC1	ZINC001206038650	1133646582	/nfs/dbraw/zinc/64/65/82/1133646582.db2.gz	KTSOQTIXIVXAAB-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206045255	1133648284	/nfs/dbraw/zinc/64/82/84/1133648284.db2.gz	MYVQHNCFLVHPBJ-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1cnc2cc(-c3csc(C(=O)[O-])c3)ccc2c1	ZINC001206298936	1133686219	/nfs/dbraw/zinc/68/62/19/1133686219.db2.gz	URNGYOQVOFNBSD-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1ccc2ccnc(-c3cc(F)c([O-])cc3F)c2c1	ZINC001206754897	1133742746	/nfs/dbraw/zinc/74/27/46/1133742746.db2.gz	AJNMZNUEBCEHMV-UHFFFAOYSA-N	-1	0	282.249	3.757	20	30		CHEDRM
CO[C@H](C)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001209946593	1134106875	/nfs/dbraw/zinc/10/68/75/1134106875.db2.gz	DSZYBDIWOAOMOW-SECBINFHSA-N	-1	0	274.345	3.776	20	30		CHEDRM
Cc1cccc(Nc2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001210008607	1134121366	/nfs/dbraw/zinc/12/13/66/1134121366.db2.gz	QOOCCUSJLJCJKF-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
C#Cc1cc(Nc2cc(C(=O)[O-])cc(F)c2C)ccc1F	ZINC001210007435	1134121767	/nfs/dbraw/zinc/12/17/67/1134121767.db2.gz	FTRNJDJRVPXYLA-UHFFFAOYSA-N	-1	0	287.265	3.696	20	30		CHEDRM
N#Cc1ncccc1Nc1cc(Cl)ccc1[S-]	ZINC001210144356	1134156373	/nfs/dbraw/zinc/15/63/73/1134156373.db2.gz	QGAFCOISWBZOCU-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2c([O-])cc(F)cc2F)c1	ZINC001210389762	1134206370	/nfs/dbraw/zinc/20/63/70/1134206370.db2.gz	WDHYNTQJGIYKKI-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
C[C@H]1CC(=O)C=C(Nc2ccc3[n-]c(=S)sc3c2)C1	ZINC001210772349	1134292064	/nfs/dbraw/zinc/29/20/64/1134292064.db2.gz	BGHSOMLVSQAMSO-MRVPVSSYSA-N	-1	0	290.413	3.880	20	30		CHEDRM
COc1c(Nc2ccc([C@@H](C)C#N)cc2)cccc1C(=O)[O-]	ZINC001211037086	1134353962	/nfs/dbraw/zinc/35/39/62/1134353962.db2.gz	FUSGICBDBPIMPB-NSHDSACASA-N	-1	0	296.326	3.764	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)cc2[S-])ccc1N	ZINC001213439208	1134448851	/nfs/dbraw/zinc/44/88/51/1134448851.db2.gz	VHVMDHAYYCSNGX-UHFFFAOYSA-N	-1	0	275.764	3.826	20	30		CHEDRM
COc1cc(Nc2c(C)cc(C#N)cc2C)cc(C(=O)[O-])c1	ZINC001213592904	1134466433	/nfs/dbraw/zinc/46/64/33/1134466433.db2.gz	RHVOCDSZSDAFEQ-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
N#CCc1cccc(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213634004	1134470971	/nfs/dbraw/zinc/47/09/71/1134470971.db2.gz	GQBZEKNUVWRCMH-UHFFFAOYSA-N	-1	0	280.327	3.513	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(C)c1	ZINC001214276835	1134526442	/nfs/dbraw/zinc/52/64/42/1134526442.db2.gz	ZVJUMXWFODQHAZ-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1c(C)cccc1C#N	ZINC001214276814	1134526749	/nfs/dbraw/zinc/52/67/49/1134526749.db2.gz	YUARLQPZCDTHQL-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)s1	ZINC001214484164	1134543977	/nfs/dbraw/zinc/54/39/77/1134543977.db2.gz	BUKZRYXSSHIFBU-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
COc1ccc(Nc2ccc(Cl)c([O-])c2F)c(C#N)c1	ZINC001214799179	1134575514	/nfs/dbraw/zinc/57/55/14/1134575514.db2.gz	OYARXTHXXCCQPE-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
COc1cc(C#N)cc(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214806317	1134576545	/nfs/dbraw/zinc/57/65/45/1134576545.db2.gz	FKIYLJCLRSVPMP-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
C#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2F)ccc1F	ZINC001215276456	1134613745	/nfs/dbraw/zinc/61/37/45/1134613745.db2.gz	JPQHGDSCNVDIIJ-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215465828	1134629561	/nfs/dbraw/zinc/62/95/61/1134629561.db2.gz	AZCNJULGPBFFOD-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1c(Cl)c(Nc2cccc(C#N)c2)ccc1C(=O)[O-]	ZINC001215693164	1134660864	/nfs/dbraw/zinc/66/08/64/1134660864.db2.gz	ZEIUFKDLNCDZCB-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
C#Cc1ccccc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215699332	1134661338	/nfs/dbraw/zinc/66/13/38/1134661338.db2.gz	KYBQUDUGSOARNZ-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
N#Cc1cnoc1[N-]c1c(Cl)cccc1C(F)(F)F	ZINC001215969365	1134736704	/nfs/dbraw/zinc/73/67/04/1134736704.db2.gz	BSSIIVNTTBYKEG-UHFFFAOYSA-N	-1	0	287.628	3.962	20	30		CHEDRM
Cc1cccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1C#N	ZINC001216311689	1134846392	/nfs/dbraw/zinc/84/63/92/1134846392.db2.gz	POWQQYMWGYUHOU-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1c(Nc2ccc(Cl)cc2C#N)cccc1C(=O)[O-]	ZINC001216661326	1134941418	/nfs/dbraw/zinc/94/14/18/1134941418.db2.gz	FYNUPNMSHWQJEK-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1c(Nc2cc(F)c(C#N)c(F)c2)cccc1C(=O)[O-]	ZINC001216663543	1134942403	/nfs/dbraw/zinc/94/24/03/1134942403.db2.gz	RZUIPTOXXQKQTJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCc1ccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)cc1	ZINC001216969573	1134955334	/nfs/dbraw/zinc/95/53/34/1134955334.db2.gz	GXXJPPYSSVNPOW-UHFFFAOYSA-N	-1	0	291.310	3.543	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222665374	1135261836	/nfs/dbraw/zinc/26/18/36/1135261836.db2.gz	ATACPNHBLGHYOX-UHFFFAOYSA-N	-1	0	293.366	3.902	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cccnc1F	ZINC001223592537	1135363939	/nfs/dbraw/zinc/36/39/39/1135363939.db2.gz	BYUPNZNYSIIYHR-DLXMGQPRSA-N	-1	0	294.713	3.788	20	30		CHEDRM
C=CCOc1ccccc1CO[C@@H](C)C1=CC=C[CH]1	ZINC001223787357	1135384131	/nfs/dbraw/zinc/38/41/31/1135384131.db2.gz	VGNGEGXSJGJWSH-AWEZNQCLSA-N	-1	0	255.337	3.857	20	30		CHEDRM
Cc1cc(C(C)(C)C(=O)[O-])ccc1-c1ccc(C#N)s1	ZINC000519547763	265468101	/nfs/dbraw/zinc/46/81/01/265468101.db2.gz	IUHBDYKTOOXYFR-UHFFFAOYSA-N	-1	0	285.368	3.957	20	30		CHEDRM
N#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CCCC1	ZINC000271280648	328196151	/nfs/dbraw/zinc/19/61/51/328196151.db2.gz	KRRXNEQVMFMWLP-UHFFFAOYSA-N	-1	0	299.157	3.721	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)s2)n1	ZINC000048520368	328309570	/nfs/dbraw/zinc/30/95/70/328309570.db2.gz	IKYFPIKFTZUJKT-SSDOTTSWSA-N	-1	0	282.777	3.657	20	30		CHEDRM
N#CCc1c[nH]c2cc(-c3ccccc3C(=O)[O-])ccc12	ZINC000583146178	329322217	/nfs/dbraw/zinc/32/22/17/329322217.db2.gz	OIPCGTFAPLBYLW-UHFFFAOYSA-N	-1	0	276.295	3.599	20	30		CHEDRM
N#CCCC[C@@H](N=c1nc(C2CC2)[n-]s1)c1ccccc1	ZINC000431485229	330585416	/nfs/dbraw/zinc/58/54/16/330585416.db2.gz	GWPWBJRMOIFXDH-CQSZACIVSA-N	-1	0	298.415	3.684	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cnc3ccsc3c2)n1	ZINC000524760507	333387253	/nfs/dbraw/zinc/38/72/53/333387253.db2.gz	LENBWZWJORAIBU-SNVBAGLBSA-N	-1	0	299.380	3.551	20	30		CHEDRM
CCCc1sc(C([O-])=C(C#N)c2ccncn2)cc1CC	ZINC000354461827	528805847	/nfs/dbraw/zinc/80/58/47/528805847.db2.gz	GORBPXKGFGBVLS-LBPRGKRZSA-N	-1	0	299.399	3.543	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])cc1)C2	ZINC000730948305	599804611	/nfs/dbraw/zinc/80/46/11/599804611.db2.gz	CHGWXJFQROEJLV-DHDCSXOGSA-N	-1	0	278.307	3.516	20	30		CHEDRM
C=CCOc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1	ZINC000207207946	599907228	/nfs/dbraw/zinc/90/72/28/599907228.db2.gz	ONXQERGVZAURMW-YVMONPNESA-N	-1	0	287.340	3.577	20	30		CHEDRM
Cc1cccc(NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c1	ZINC000738736818	600180516	/nfs/dbraw/zinc/18/05/16/600180516.db2.gz	XAYJOVDBPDVUOC-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
CCCCC[C@@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000829312674	601365851	/nfs/dbraw/zinc/36/58/51/601365851.db2.gz	YMXHZIQADLPHOG-BKAYVGFPSA-N	-1	0	299.370	3.998	20	30		CHEDRM
C=CCCCC(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC000825671559	601806851	/nfs/dbraw/zinc/80/68/51/601806851.db2.gz	TYCJRJBYVKUXAF-UHFFFAOYSA-N	-1	0	279.361	3.619	20	30		CHEDRM
C=CCC(CC=C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825665274	604598642	/nfs/dbraw/zinc/59/86/42/604598642.db2.gz	XSNLBQVDZRQUHW-NSHDSACASA-N	-1	0	292.331	3.659	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1	ZINC000833310067	604627908	/nfs/dbraw/zinc/62/79/08/604627908.db2.gz	MDVAEAJACYAOBT-WAPJZHGLSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(C)[C@@H]1CC[C@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763377680	604669913	/nfs/dbraw/zinc/66/99/13/604669913.db2.gz	STPIMLJTBVRZAL-AAEUAGOBSA-N	-1	0	289.379	3.640	20	30		CHEDRM
CC(C)[C@H]1CC[C@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763377682	604670144	/nfs/dbraw/zinc/67/01/44/604670144.db2.gz	STPIMLJTBVRZAL-WCQYABFASA-N	-1	0	289.379	3.640	20	30		CHEDRM
C=C[C@H](CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC000833371618	604671603	/nfs/dbraw/zinc/67/16/03/604671603.db2.gz	SNUOAFYCXYJQGL-CYBMUJFWSA-N	-1	0	295.338	3.683	20	30		CHEDRM
C=CCC[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1	ZINC000833373636	605217908	/nfs/dbraw/zinc/21/79/08/605217908.db2.gz	VLRUANLXNIZYFS-INIZCTEOSA-N	-1	0	288.391	3.953	20	30		CHEDRM
C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1ccc(C#N)cc1	ZINC000833524112	605262941	/nfs/dbraw/zinc/26/29/41/605262941.db2.gz	ANUNWNCPABIBCX-SNVBAGLBSA-N	-1	0	299.305	3.960	20	30		CHEDRM
C[C@H](CN=Nc1ccccc1C(=O)[O-])Cc1ccccc1	ZINC000783817739	605328502	/nfs/dbraw/zinc/32/85/02/605328502.db2.gz	YAWKXANJWAKKIA-ZDUSSCGKSA-N	-1	0	282.343	3.661	20	30		CHEDRM
Cc1ccc(NC(=O)[O-])c(OCCCC(C)(C)C#N)c1	ZINC000830390381	605354635	/nfs/dbraw/zinc/35/46/35/605354635.db2.gz	OZSRCFMRZKTVDD-UHFFFAOYSA-N	-1	0	276.336	3.794	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000106537858	949211146	/nfs/dbraw/zinc/21/11/46/949211146.db2.gz	DEXLCTWBOFQJAZ-AWEZNQCLSA-N	-1	0	283.412	3.593	20	30		CHEDRM
CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589645075	949717908	/nfs/dbraw/zinc/71/79/08/949717908.db2.gz	MPBWGVANMYVUDZ-QLFBSQMISA-N	-1	0	297.439	3.600	20	30		CHEDRM
CC[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000097824350	958350900	/nfs/dbraw/zinc/35/09/00/958350900.db2.gz	DKRLEOPQTONGEF-SNVBAGLBSA-N	-1	0	289.278	3.532	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000105996459	958368334	/nfs/dbraw/zinc/36/83/34/958368334.db2.gz	KEFJCIPIQBXDLL-UHFFFAOYSA-N	-1	0	277.364	3.992	20	30		CHEDRM
CCCCCCCCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000105714544	958368611	/nfs/dbraw/zinc/36/86/11/958368611.db2.gz	WOAOSVFWRVSOQQ-HNNXBMFYSA-N	-1	0	297.439	3.840	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCC1	ZINC001588458031	958456686	/nfs/dbraw/zinc/45/66/86/958456686.db2.gz	PJFBNUKJGZKZPL-UHFFFAOYSA-N	-1	0	291.322	3.599	20	30		CHEDRM
C=CCCc1ccccc1NCc1cc(C)c(C(=O)[O-])[nH]1	ZINC001573360819	963042693	/nfs/dbraw/zinc/04/26/93/963042693.db2.gz	XYMMMXJWYXRCSW-UHFFFAOYSA-N	-1	0	284.359	3.752	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2coc3ccccc23)c1	ZINC000746559965	978685543	/nfs/dbraw/zinc/68/55/43/978685543.db2.gz	ZKYITRRNIZTRTN-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
CC(CCC(F)(F)F)N=Nc1ccccc1C(=O)[O-]	ZINC000783817576	978793811	/nfs/dbraw/zinc/79/38/11/978793811.db2.gz	WBIMIVSYVGQNNZ-UHFFFAOYSA-N	-1	0	274.242	3.515	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccc3occc3c2)c1	ZINC000794854130	978823183	/nfs/dbraw/zinc/82/31/83/978823183.db2.gz	BUUWRFHBUSGXTN-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
COc1cccc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])c1	ZINC000814778616	978883921	/nfs/dbraw/zinc/88/39/21/978883921.db2.gz	OBYMBYRULSBEPW-LBPRGKRZSA-N	-1	0	292.379	3.764	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(Cl)c(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814862760	978894733	/nfs/dbraw/zinc/89/47/33/978894733.db2.gz	QQKBXTZDWKMHOZ-RKDXNWHRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCCC23CCCC3)nc1	ZINC000814890357	978896762	/nfs/dbraw/zinc/89/67/62/978896762.db2.gz	LJSCQNCCXAMHTH-UHFFFAOYSA-N	-1	0	287.363	3.682	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCC3)cc1F	ZINC000835009132	979244346	/nfs/dbraw/zinc/24/43/46/979244346.db2.gz	OKKGGPCASKVUJT-UHFFFAOYSA-N	-1	0	276.311	3.646	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)C2CCCCC2)cc1F	ZINC000849243000	979490849	/nfs/dbraw/zinc/49/08/49/979490849.db2.gz	DLRZYPNMJCFVEN-CLFYSBASSA-N	-1	0	276.307	3.687	20	30		CHEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1cccs1	ZINC000916588266	982677211	/nfs/dbraw/zinc/67/72/11/982677211.db2.gz	PGTKRZOJDBGZCX-UHFFFAOYSA-N	-1	0	274.345	3.673	20	30		CHEDRM
C#CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2C)CCCCC1	ZINC001588428217	983460422	/nfs/dbraw/zinc/46/04/22/983460422.db2.gz	GAENLHPLALKDJG-UHFFFAOYSA-N	-1	0	299.370	3.606	20	30		CHEDRM
C=C(C)CCC(=O)Oc1cc2ccccc2cc1C(=O)[O-]	ZINC001588559655	983640362	/nfs/dbraw/zinc/64/03/62/983640362.db2.gz	PWHCBGQWMJUFLA-UHFFFAOYSA-N	-1	0	284.311	3.800	20	30		CHEDRM
C=C[C@H](Nc1ccc(SC(C)(C)C)cc1)C(=O)[O-]	ZINC001588702123	983918757	/nfs/dbraw/zinc/91/87/57/983918757.db2.gz	JTCCKLZOSMINAL-LBPRGKRZSA-N	-1	0	265.378	3.628	20	30		CHEDRM
C=C[C@H](Nc1cccc(CSC2CCCC2)c1)C(=O)[O-]	ZINC001588702226	983919309	/nfs/dbraw/zinc/91/93/09/983919309.db2.gz	NKFGDINSKITLDW-HNNXBMFYSA-N	-1	0	291.416	3.914	20	30		CHEDRM
C=CC[C@@H](C(=O)[O-])N1C[C@@H](c2ccccc2)c2ccccc21	ZINC001588729475	983990440	/nfs/dbraw/zinc/99/04/40/983990440.db2.gz	QUANKIANLFWLRB-WMZOPIPTSA-N	-1	0	293.366	3.668	20	30		CHEDRM
C=CC[C@H](C(=O)[O-])N1C[C@H](c2ccccc2)c2ccccc21	ZINC001588729472	983990488	/nfs/dbraw/zinc/99/04/88/983990488.db2.gz	QUANKIANLFWLRB-SJLPKXTDSA-N	-1	0	293.366	3.668	20	30		CHEDRM
C=CC[C@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001588731575	984008795	/nfs/dbraw/zinc/00/87/95/984008795.db2.gz	KPRKYQBHQKIALM-INIZCTEOSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C=CC[C@H](Sc1nc2cc(F)ccc2s1)C(=O)[O-]	ZINC001588758752	984107390	/nfs/dbraw/zinc/10/73/90/984107390.db2.gz	JIIOASWRZFERDM-JTQLQIEISA-N	-1	0	283.349	3.557	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CCC1	ZINC001588764485	984122095	/nfs/dbraw/zinc/12/20/95/984122095.db2.gz	BOVFCXYYKGQCGZ-UHFFFAOYSA-N	-1	0	291.322	3.517	20	30		CHEDRM
C=CCC[C@H](Nc1cc(CC(=O)[O-])ccn1)c1ccccc1	ZINC001588778710	984162586	/nfs/dbraw/zinc/16/25/86/984162586.db2.gz	JPBCSWAEDIEVNO-INIZCTEOSA-N	-1	0	296.370	3.828	20	30		CHEDRM
C=CCCCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)F	ZINC001588783043	984176082	/nfs/dbraw/zinc/17/60/82/984176082.db2.gz	VCPPTUWHILPDGS-ZDUSSCGKSA-N	-1	0	298.285	3.591	20	30		CHEDRM
CC(=NNc1ccc(CC(=O)[O-])cc1)c1csc(C)c1	ZINC001589016349	984994347	/nfs/dbraw/zinc/99/43/47/984994347.db2.gz	ITVKQULHXCSJEU-UHFFFAOYSA-N	-1	0	288.372	3.520	20	30		CHEDRM
CC(C)(C#N)CCOc1cccc2cc(C(=O)[O-])ccc21	ZINC001589554537	987301116	/nfs/dbraw/zinc/30/11/16/987301116.db2.gz	DGBDPDFRMRILNH-UHFFFAOYSA-N	-1	0	283.327	3.857	20	30		CHEDRM
CC(C)(C)CCNN=C1CCC[C@@H](CCCC(=O)[O-])C1	ZINC001589776716	988137932	/nfs/dbraw/zinc/13/79/32/988137932.db2.gz	CQUUGFJIDOZZKL-ZDUSSCGKSA-N	-1	0	282.428	3.813	20	30		CHEDRM
CC(C)[C@H]1c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])[nH]1	ZINC001591068288	991525446	/nfs/dbraw/zinc/52/54/46/991525446.db2.gz	YGCZFWVDFLRWDQ-IDJPSDCMSA-N	-1	0	295.338	3.732	20	30		CHEDRM
CC1(C)CCC/C(=C\c2ccc(/C=C\C(=O)[O-])o2)C1=O	ZINC001593885526	996722467	/nfs/dbraw/zinc/72/24/67/996722467.db2.gz	MMUVIJDUXXXRAZ-QEFCTBRHSA-N	-1	0	274.316	3.540	20	30		CHEDRM
CC(C)(C)c1nnc([N-]c2ccc(C#N)cc2F)s1	ZINC001201556018	1123120318	/nfs/dbraw/zinc/12/03/18/1123120318.db2.gz	SIUQYXFDNTYUOX-UHFFFAOYSA-N	-1	0	276.340	3.590	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C2=CCC(C)(C)CC2)n1	ZINC000835038082	1131762541	/nfs/dbraw/zinc/76/25/41/1131762541.db2.gz	UGPVEICYOIHTPU-LBPRGKRZSA-N	-1	0	274.389	3.764	20	30		CHEDRM
Cc1ccc(F)c(C=CC(=O)c2sccc2[O-])c1	ZINC000773143297	1131961552	/nfs/dbraw/zinc/96/15/52/1131961552.db2.gz	QGRVOJOQMFIPFM-HWKANZROSA-N	-1	0	262.305	3.797	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)cc2[S-])ccc1O	ZINC001210533212	1134241083	/nfs/dbraw/zinc/24/10/83/1134241083.db2.gz	WSMJQYJKLGVWNG-UHFFFAOYSA-N	-1	0	276.748	3.950	20	30		CHEDRM
N#Cc1ccccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214799045	1134574544	/nfs/dbraw/zinc/57/45/44/1134574544.db2.gz	JMJAGBAKUBYRLZ-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1	ZINC001211964890	1125531275	/nfs/dbraw/zinc/53/12/75/1125531275.db2.gz	DWUSYHCGJWNLRB-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
COCc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1	ZINC000757475075	1125769694	/nfs/dbraw/zinc/76/96/94/1125769694.db2.gz	GTYRRKJJVYLLGL-RMKNXTFCSA-N	-1	0	286.302	3.574	20	30		CHEDRM
O=C(/C=C\c1ccc(Cl)nc1)c1cc(F)cc(F)c1[O-]	ZINC000757476873	1125774666	/nfs/dbraw/zinc/77/46/66/1125774666.db2.gz	VKADUYIJCFVYLS-IWQZZHSRSA-N	-1	0	295.672	3.615	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CC[C@H]1CCCO1	ZINC000887270750	1125780723	/nfs/dbraw/zinc/78/07/23/1125780723.db2.gz	SSQADDHVPZZGCF-OUZNOSRWSA-N	-1	0	288.174	3.687	20	30		CHEDRM
[O-]c1c(Cl)cccc1C=NOCc1ccc(F)cc1	ZINC000758144714	1126815632	/nfs/dbraw/zinc/81/56/32/1126815632.db2.gz	WOQVIZSELYIHPN-UHFFFAOYSA-N	-1	0	279.698	3.735	20	30		CHEDRM
CC(=Cc1ccc(C(C)C)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193610011	1126970513	/nfs/dbraw/zinc/97/05/13/1126970513.db2.gz	YVUDRRMZYWMPBE-FMIVXFBMSA-N	-1	0	293.370	3.634	20	30		CHEDRM
CCCCCCCC(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC000908508675	1127006132	/nfs/dbraw/zinc/00/61/32/1127006132.db2.gz	XGDZDDAQDHYLLQ-UHFFFAOYSA-N	-1	0	293.363	3.692	20	30		CHEDRM
N#Cc1cc(O)cc(C(=O)Nc2cccc3ccsc32)c1	ZINC000589195675	1127215354	/nfs/dbraw/zinc/21/53/54/1127215354.db2.gz	COTDQFHVFZBASU-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
CCCCN(CCC#N)Cc1cc(F)c([O-])c(Cl)c1	ZINC001237988399	1131158501	/nfs/dbraw/zinc/15/85/01/1131158501.db2.gz	HSKLGCUAXZMFJJ-UHFFFAOYSA-N	-1	0	284.762	3.700	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000287115461	1127289677	/nfs/dbraw/zinc/28/96/77/1127289677.db2.gz	YIGMUKIROXIUTK-CYBMUJFWSA-N	-1	0	271.719	3.726	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000157313258	1127304382	/nfs/dbraw/zinc/30/43/82/1127304382.db2.gz	XSPLMOKYHUOZTJ-GORDUTHDSA-N	-1	0	289.312	3.566	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1)c1nc2cc(F)ccc2s1	ZINC000592974171	1127363709	/nfs/dbraw/zinc/36/37/09/1127363709.db2.gz	PEDJNYNVGKIUMB-JTQLQIEISA-N	-1	0	286.287	3.518	20	30		CHEDRM
N#Cc1cccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1	ZINC000060132766	1127504310	/nfs/dbraw/zinc/50/43/10/1127504310.db2.gz	PFIGNOXROWZOSK-GQCTYLIASA-N	-1	0	283.714	3.813	20	30		CHEDRM
CCCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@H]1CC	ZINC000601947155	1127553317	/nfs/dbraw/zinc/55/33/17/1127553317.db2.gz	FRLCMYCFGBKVSN-LBPRGKRZSA-N	-1	0	289.766	3.741	20	30		CHEDRM
Cc1[n-]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1CCC#N	ZINC000601934054	1127553447	/nfs/dbraw/zinc/55/34/47/1127553447.db2.gz	IZEJMVIVEMHGLY-OAHLLOKOSA-N	-1	0	283.375	3.627	20	30		CHEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1nccc2ccccc21	ZINC000361540610	1127570891	/nfs/dbraw/zinc/57/08/91/1127570891.db2.gz	JRVCQASWYJSJKD-QGZVFWFLSA-N	-1	0	297.317	3.597	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1	ZINC000361530673	1127570089	/nfs/dbraw/zinc/57/00/89/1127570089.db2.gz	KLKAPWFKYQYHOQ-HNNXBMFYSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361528616	1127570145	/nfs/dbraw/zinc/57/01/45/1127570145.db2.gz	AWKJIPQVUCZANC-CQSZACIVSA-N	-1	0	276.295	3.626	20	30		CHEDRM
CCCCCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000088359225	1127923306	/nfs/dbraw/zinc/92/33/06/1127923306.db2.gz	BZGCKQVCBPBHHS-CQSZACIVSA-N	-1	0	283.412	3.593	20	30		CHEDRM
N#C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C1CCCCC1	ZINC000762829900	1128320484	/nfs/dbraw/zinc/32/04/84/1128320484.db2.gz	LHXNLDPAKLUCMC-CQSZACIVSA-N	-1	0	293.750	3.675	20	30		CHEDRM
C=CCN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000931924705	1128388861	/nfs/dbraw/zinc/38/88/61/1128388861.db2.gz	GQPSHMNVMPSDEE-UHFFFAOYSA-N	-1	0	288.174	3.736	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(Cl)c(F)c2)c1	ZINC000915982872	1128400762	/nfs/dbraw/zinc/40/07/62/1128400762.db2.gz	GJPUJGQYDILOOJ-UHFFFAOYSA-N	-1	0	294.669	3.844	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1c(F)cccc1F)O2	ZINC000915988816	1128401737	/nfs/dbraw/zinc/40/17/37/1128401737.db2.gz	IOLPGEJUPXFBKD-AUWJEWJLSA-N	-1	0	288.249	3.595	20	30		CHEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000916240669	1128412447	/nfs/dbraw/zinc/41/24/47/1128412447.db2.gz	JSDXTUVADKWNLN-GFCCVEGCSA-N	-1	0	268.316	3.586	20	30		CHEDRM
CS[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000901249250	1128532480	/nfs/dbraw/zinc/53/24/80/1128532480.db2.gz	VUADEJINUCCPBW-LLVKDONJSA-N	-1	0	296.367	3.597	20	30		CHEDRM
CCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000041518742	1128546888	/nfs/dbraw/zinc/54/68/88/1128546888.db2.gz	UCYFPHZELQVKDC-SNVBAGLBSA-N	-1	0	276.386	3.566	20	30		CHEDRM
CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000041543832	1128547734	/nfs/dbraw/zinc/54/77/34/1128547734.db2.gz	PXEYNTMESBSKDF-LLVKDONJSA-N	-1	0	296.351	3.942	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/CCc3ccccc3C2=O)c1	ZINC000158288582	1128666277	/nfs/dbraw/zinc/66/62/77/1128666277.db2.gz	HAPWTSADMFLFNN-UVTDQMKNSA-N	-1	0	278.307	3.597	20	30		CHEDRM
C=C(C)CN(CC)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000930117149	1128664354	/nfs/dbraw/zinc/66/43/54/1128664354.db2.gz	HSSLRWVGXACOTL-UHFFFAOYSA-N	-1	0	288.174	3.737	20	30		CHEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000048427110	1128709673	/nfs/dbraw/zinc/70/96/73/1128709673.db2.gz	BLLXVNMKMYIERB-JTQLQIEISA-N	-1	0	289.422	3.610	20	30		CHEDRM
COc1ccsc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000764443251	1118092912	/nfs/dbraw/zinc/09/29/12/1118092912.db2.gz	WTWFMIBBUTVZRD-WAYWQWQTSA-N	-1	0	274.341	3.667	20	30		CHEDRM
C=CCCCN(CC)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000890813215	1118145128	/nfs/dbraw/zinc/14/51/28/1118145128.db2.gz	SNYASAKQSBCAOE-UHFFFAOYSA-N	-1	0	285.746	3.613	20	30		CHEDRM
C=CCCC[C@@H](C)OC(=O)c1cc(F)c([O-])c(F)c1	ZINC000765487045	1118155173	/nfs/dbraw/zinc/15/51/73/1118155173.db2.gz	OUIDVPOVEBMAMY-SECBINFHSA-N	-1	0	270.275	3.572	20	30		CHEDRM
CC(C)c1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188253971	1128760788	/nfs/dbraw/zinc/76/07/88/1128760788.db2.gz	DTMPHYSUHISIDP-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000255078447	1118189367	/nfs/dbraw/zinc/18/93/67/1118189367.db2.gz	FXWHJCYQVOVPGU-UITAMQMPSA-N	-1	0	283.283	3.505	20	30		CHEDRM
Cc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000035326401	1118247499	/nfs/dbraw/zinc/24/74/99/1118247499.db2.gz	INSZDTGSNUUMOD-FNORWQNLSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#Cc1ccc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210400744	1118275051	/nfs/dbraw/zinc/27/50/51/1118275051.db2.gz	KYXGMGQBSQMEAQ-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
N#CCc1cc(Nc2cccc([S-])c2)ccc1F	ZINC001210950546	1118430659	/nfs/dbraw/zinc/43/06/59/1118430659.db2.gz	YBNOAYBRFVYFAS-UHFFFAOYSA-N	-1	0	258.321	3.924	20	30		CHEDRM
Cc1cccc2c1C/C(=C\c1cc(C(=O)[O-])cs1)C2=O	ZINC000782200558	1118503237	/nfs/dbraw/zinc/50/32/37/1118503237.db2.gz	MTWWKBZLCLLWLZ-BJMVGYQFSA-N	-1	0	284.336	3.577	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782201585	1118505481	/nfs/dbraw/zinc/50/54/81/1118505481.db2.gz	VLUNYYZQWKKEQJ-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
CCCn1nc(C)c(/C=C/C(=O)c2ccccc2[O-])c1C	ZINC000160723918	1118533288	/nfs/dbraw/zinc/53/32/88/1118533288.db2.gz	BNIKMBNADOGOJN-MDZDMXLPSA-N	-1	0	284.359	3.512	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000430601800	1118591746	/nfs/dbraw/zinc/59/17/46/1118591746.db2.gz	KJHQQFJIPSDBDZ-HNNXBMFYSA-N	-1	0	290.322	3.880	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)s1	ZINC000255332731	1118641357	/nfs/dbraw/zinc/64/13/57/1118641357.db2.gz	LTQRCLAXWLPHPR-XQRVVYSFSA-N	-1	0	289.312	3.566	20	30		CHEDRM
C[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835011486	1118767831	/nfs/dbraw/zinc/76/78/31/1118767831.db2.gz	GGTJIBHOJBJMQC-VIFPVBQESA-N	-1	0	264.300	3.502	20	30		CHEDRM
COc1cc(Nc2cccc(C#N)c2C)ccc1[S-]	ZINC001216178242	1118857796	/nfs/dbraw/zinc/85/77/96/1118857796.db2.gz	TVFDIZNVNGEZHQ-UHFFFAOYSA-N	-1	0	270.357	3.908	20	30		CHEDRM
O=C(/C=C\c1cccnc1Cl)c1ccc([O-])c(Cl)c1	ZINC000588480267	1118910463	/nfs/dbraw/zinc/91/04/63/1118910463.db2.gz	KQTAIIJTVRQVHL-HYXAFXHYSA-N	-1	0	294.137	3.990	20	30		CHEDRM
Cc1ncccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480342	1118910840	/nfs/dbraw/zinc/91/08/40/1118910840.db2.gz	LUSOVUNWNOVHSG-XQRVVYSFSA-N	-1	0	273.719	3.645	20	30		CHEDRM
C#Cc1ccccc1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216312090	1118977109	/nfs/dbraw/zinc/97/71/09/1118977109.db2.gz	ACBDBXWOIWDHDJ-UHFFFAOYSA-N	-1	0	265.312	3.727	20	30		CHEDRM
O=C(C=Cc1cnn(-c2ccccc2)c1)c1sccc1[O-]	ZINC000588495772	1118991455	/nfs/dbraw/zinc/99/14/55/1118991455.db2.gz	UXWXYVLRACGIEX-SREVYHEPSA-N	-1	0	296.351	3.536	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2occc2C(C)C)n1	ZINC000342451145	1119033056	/nfs/dbraw/zinc/03/30/56/1119033056.db2.gz	UVRVCHFLYUQIDR-LLVKDONJSA-N	-1	0	274.345	3.658	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)cc2C)cc(C(=O)[O-])c1	ZINC001211542772	1119059585	/nfs/dbraw/zinc/05/95/85/1119059585.db2.gz	PJHXFGTVMVBQJH-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(Nc2c(F)cc(C#N)cc2F)cc(C(=O)[O-])c1	ZINC001211544855	1119077394	/nfs/dbraw/zinc/07/73/94/1119077394.db2.gz	LMWCNEKIVGJSQF-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cc(C)cc(C(=O)[O-])c2)c1	ZINC001211549221	1119115750	/nfs/dbraw/zinc/11/57/50/1119115750.db2.gz	IBJZYLOUUOSTEK-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(Nc2cccc(CC#N)c2)cc1C(=O)[O-]	ZINC001211606794	1119455456	/nfs/dbraw/zinc/45/54/56/1119455456.db2.gz	ZZTPXVLMOAGCHJ-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
O=C(/C=C\c1cccnc1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000588594526	1119502124	/nfs/dbraw/zinc/50/21/24/1119502124.db2.gz	RAYVTASDSCXHLG-ARJAWSKDSA-N	-1	0	294.137	3.990	20	30		CHEDRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2C)ccc1C#N	ZINC001211624442	1119610852	/nfs/dbraw/zinc/61/08/52/1119610852.db2.gz	IBTGMCJMICNURH-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
O=C(/C=C\c1cc(F)ccc1F)c1ccc([O-])c(F)c1	ZINC000255714058	1119732699	/nfs/dbraw/zinc/73/26/99/1119732699.db2.gz	QRYDXQKXUTUZHX-KTAJNNJTSA-N	-1	0	278.229	3.706	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])C2=CCCCCC2)n1	ZINC000122662622	1120221693	/nfs/dbraw/zinc/22/16/93/1120221693.db2.gz	QDPXTSUDZATVHA-LBPRGKRZSA-N	-1	0	260.362	3.518	20	30		CHEDRM
C=CCCCSc1n[n-]c(=Nc2cccc(F)c2)s1	ZINC000522747423	1120344938	/nfs/dbraw/zinc/34/49/38/1120344938.db2.gz	CYVYCSZGLQILNS-UHFFFAOYSA-N	-1	0	295.408	3.901	20	30		CHEDRM
O=C([O-])c1cc(F)c(-c2cccc(CS)c2)c(F)c1	ZINC001222412544	1120592509	/nfs/dbraw/zinc/59/25/09/1120592509.db2.gz	NPIWYVWSXBHGTH-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1	ZINC000073838496	1120643027	/nfs/dbraw/zinc/64/30/27/1120643027.db2.gz	RPEINCCBAJVGNN-LBPRGKRZSA-N	-1	0	297.420	3.655	20	30		CHEDRM
Cc1cc(Nc2c(F)cc(F)cc2C#N)ccc1C(=O)[O-]	ZINC001211660870	1120663990	/nfs/dbraw/zinc/66/39/90/1120663990.db2.gz	PTWHPTIZFHVUSV-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(C)C	ZINC000126026709	1121162528	/nfs/dbraw/zinc/16/25/28/1121162528.db2.gz	ULOAOMRISYXBLO-CQSZACIVSA-N	-1	0	296.370	3.804	20	30		CHEDRM
CCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(F)c1	ZINC001175252852	1121222642	/nfs/dbraw/zinc/22/26/42/1121222642.db2.gz	CBPAPZVQIOUTTP-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
N#Cc1ccsc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175314703	1121279087	/nfs/dbraw/zinc/27/90/87/1121279087.db2.gz	XUJJGAWBKZGBTF-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CC(C)Oc1cccc(F)c1Nc1scc([O-])c1C#N	ZINC001211775208	1121581104	/nfs/dbraw/zinc/58/11/04/1121581104.db2.gz	JCDDIQBOYZHGSH-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
CCCOc1cccc(F)c1Nc1scc([O-])c1C#N	ZINC001211785872	1121590601	/nfs/dbraw/zinc/59/06/01/1121590601.db2.gz	NVZVQUBLSVKCDX-UHFFFAOYSA-N	-1	0	292.335	3.997	20	30		CHEDRM
N#Cc1c(Nc2csc(C(=O)[O-])c2)sc2c1CCC2	ZINC001176435300	1121620996	/nfs/dbraw/zinc/62/09/96/1121620996.db2.gz	BOTRJAZZHAGDOT-UHFFFAOYSA-N	-1	0	290.369	3.612	20	30		CHEDRM
Cc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001176592967	1121650137	/nfs/dbraw/zinc/65/01/37/1121650137.db2.gz	SBQQBMUXHZYUGF-JXMROGBWSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#CCc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001176592907	1121650212	/nfs/dbraw/zinc/65/02/12/1121650212.db2.gz	PISLJLIDXYZWCT-BJMVGYQFSA-N	-1	0	278.311	3.594	20	30		CHEDRM
C=CCn1cc(Nc2c([S-])cccc2Cl)cn1	ZINC001176549423	1121651292	/nfs/dbraw/zinc/65/12/92/1121651292.db2.gz	QLISFILMJWJSNP-UHFFFAOYSA-N	-1	0	265.769	3.755	20	30		CHEDRM
Cc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1C#N	ZINC001176670788	1121671407	/nfs/dbraw/zinc/67/14/07/1121671407.db2.gz	KUXJBCWORROEEJ-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1C#N	ZINC001176671599	1121673153	/nfs/dbraw/zinc/67/31/53/1121673153.db2.gz	JDLLATRUJANPGO-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
N#Cc1nc2ccc(Nc3ccc(C(=O)[O-])cc3)cc2s1	ZINC001176712994	1121690577	/nfs/dbraw/zinc/69/05/77/1121690577.db2.gz	XCFLPPOPIDGBTP-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2ccc(C(=O)[O-])cc2)c1	ZINC001176712701	1121690679	/nfs/dbraw/zinc/69/06/79/1121690679.db2.gz	PUZAEUGQZQJVIJ-UHFFFAOYSA-N	-1	0	280.327	3.930	20	30		CHEDRM
N#Cc1nccc2cc(-c3csc(C(=O)[O-])c3)ccc12	ZINC001206298640	1121722838	/nfs/dbraw/zinc/72/28/38/1121722838.db2.gz	LEFLVOANCJLWIK-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CCc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730147936	1121795077	/nfs/dbraw/zinc/79/50/77/1121795077.db2.gz	AEMPTJLHCCVBHW-BQYQJAHWSA-N	-1	0	286.352	3.905	20	30		CHEDRM
Cc1ccc(C)c(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730149984	1121795321	/nfs/dbraw/zinc/79/53/21/1121795321.db2.gz	NQNASLDKXPLRHX-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
C[C@@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1	ZINC000733081220	1121957148	/nfs/dbraw/zinc/95/71/48/1121957148.db2.gz	RGQGDJYWDWDXIZ-GOPYKCFCSA-N	-1	0	276.336	3.544	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1C	ZINC000420269550	1121993296	/nfs/dbraw/zinc/99/32/96/1121993296.db2.gz	FMOLNWKSCHLARY-LBPRGKRZSA-N	-1	0	299.399	3.768	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)c([O-])cc2F)c(F)c1	ZINC001250022015	1122081534	/nfs/dbraw/zinc/08/15/34/1122081534.db2.gz	CMCOAHWCJLQOEM-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc([S-])c1	ZINC001186130718	1122375476	/nfs/dbraw/zinc/37/54/76/1122375476.db2.gz	XPRSPGMIMIIJQF-UHFFFAOYSA-N	-1	0	299.399	3.656	20	30		CHEDRM
CCCCCCCCCCN(C)C(=O)c1ccncc1[O-]	ZINC001188637037	1122472695	/nfs/dbraw/zinc/47/26/95/1122472695.db2.gz	PTPUXCBMCJQYKB-UHFFFAOYSA-N	-1	0	292.423	4.000	20	30		CHEDRM
CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514393	1122696345	/nfs/dbraw/zinc/69/63/45/1122696345.db2.gz	DVHPLVMBHYCPHF-NTEUORMPSA-N	-1	0	298.386	3.686	20	30		CHEDRM
C#Cc1cccc(N(CC)C(=O)c2cccc(Cl)c2[O-])c1	ZINC000775713346	1122919072	/nfs/dbraw/zinc/91/90/72/1122919072.db2.gz	IQTQNEYHXISRES-UHFFFAOYSA-N	-1	0	299.757	3.694	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)oc2C)n1	ZINC000330607155	1123120968	/nfs/dbraw/zinc/12/09/68/1123120968.db2.gz	JLXVKZJWMHMKFM-LBPRGKRZSA-N	-1	0	288.372	3.966	20	30		CHEDRM
C=CC[C@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000853370126	1123436713	/nfs/dbraw/zinc/43/67/13/1123436713.db2.gz	DHRHZZSOZIHFIA-AWEZNQCLSA-N	-1	0	286.375	3.848	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)Nc1c(C)[nH][nH]c1=O	ZINC000854634347	1123490560	/nfs/dbraw/zinc/49/05/60/1123490560.db2.gz	AMDKSBLAKXIIDA-NSHDSACASA-N	-1	0	281.400	3.749	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)c1c(O)cccc1Cl	ZINC000856374001	1123559110	/nfs/dbraw/zinc/55/91/10/1123559110.db2.gz	IFWCOJFTNXJKLV-UHFFFAOYSA-N	-1	0	267.756	3.520	20	30		CHEDRM
C=CCC[C@H](C)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000859811034	1123711081	/nfs/dbraw/zinc/71/10/81/1123711081.db2.gz	XSJRPSKBMGCPRK-LBPRGKRZSA-N	-1	0	261.365	3.815	20	30		CHEDRM
Cc1cccc(N=NC(C)CCCCCCC(=O)[O-])n1	ZINC000863160723	1123848718	/nfs/dbraw/zinc/84/87/18/1123848718.db2.gz	PXRCKMFETGYHMQ-UHFFFAOYSA-N	-1	0	277.368	3.603	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cccc(O)c1	ZINC000794934516	1124084716	/nfs/dbraw/zinc/08/47/16/1124084716.db2.gz	SUDRQLSCZBHYNG-SREVYHEPSA-N	-1	0	296.322	3.603	20	30		CHEDRM
CC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCCC1	ZINC000872379907	1124709755	/nfs/dbraw/zinc/70/97/55/1124709755.db2.gz	QGXRBBYKXANYQD-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
O=C([O-])c1ccc(N=NCCCCC2CC2)cc1F	ZINC000872379865	1124709995	/nfs/dbraw/zinc/70/99/95/1124709995.db2.gz	OLXODCCMQJXYJS-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
Cc1c(N=NCC2(C(C)C)CC2)cccc1C(=O)[O-]	ZINC000872387964	1124711627	/nfs/dbraw/zinc/71/16/27/1124711627.db2.gz	XWWMGWMWJSQIRU-UHFFFAOYSA-N	-1	0	260.337	3.527	20	30		CHEDRM
Cc1cccc2cc(C([O-])=C(C#N)c3cccc(F)n3)oc21	ZINC001122632086	1131300337	/nfs/dbraw/zinc/30/03/37/1131300337.db2.gz	PAZZEDVZLWAWCT-LBPRGKRZSA-N	-1	0	294.285	3.765	20	30		CHEDRM
CCn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001123337431	1131311047	/nfs/dbraw/zinc/31/10/47/1131311047.db2.gz	QNURJRKHVZFWOK-LFGHMXSPSA-N	-1	0	289.354	3.513	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCCC1)c1ncc(F)cc1F	ZINC001123381392	1131313053	/nfs/dbraw/zinc/31/30/53/1131313053.db2.gz	ICIHQHFHIZWIKC-YBJDMEARSA-N	-1	0	290.313	3.673	20	30		CHEDRM
CCC(CC)(CNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000137661852	1125227360	/nfs/dbraw/zinc/22/73/60/1125227360.db2.gz	ODIBMXTYZPDQOQ-UHFFFAOYSA-N	-1	0	280.755	3.515	20	30		CHEDRM
CC(C)CC(N=Nc1ccccc1C(=O)[O-])c1ccccn1	ZINC000760240873	1125325815	/nfs/dbraw/zinc/32/58/15/1125325815.db2.gz	HZAFPRACIUSBRY-UHFFFAOYSA-N	-1	0	297.358	3.642	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cnc(Cl)c(C)c2)c([O-])c1	ZINC000760264034	1125420895	/nfs/dbraw/zinc/42/08/95/1125420895.db2.gz	JDDYGXPYSXNUFT-GQCTYLIASA-N	-1	0	287.746	3.954	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1)c1nc(-c2ccccc2)cs1	ZINC000041533421	1125434146	/nfs/dbraw/zinc/43/41/46/1125434146.db2.gz	ZHIHOFJODPTSAZ-ZDUSSCGKSA-N	-1	0	294.335	3.893	20	30		CHEDRM
Cc1cccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)c1C	ZINC000734295797	1129300112	/nfs/dbraw/zinc/30/01/12/1129300112.db2.gz	KMMDUKSWAZYGRY-UHFFFAOYSA-N	-1	0	282.343	3.838	20	30		CHEDRM
Cc1ccc(F)c(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000734981023	1129326860	/nfs/dbraw/zinc/32/68/60/1129326860.db2.gz	MCVZEIRIUOMGTH-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
CCC(=NNCC(F)F)c1cc(Cl)cc(Cl)c1[O-]	ZINC000740617152	1129415489	/nfs/dbraw/zinc/41/54/89/1129415489.db2.gz	CTOHCZCMUNREDR-UHFFFAOYSA-N	-1	0	297.132	3.668	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2cc3cc(F)ccc3o2)cc1	ZINC000741759926	1129449954	/nfs/dbraw/zinc/44/99/54/1129449954.db2.gz	OGPUEPHNZNSEND-UHFFFAOYSA-N	-1	0	298.273	3.716	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000303312283	1129538665	/nfs/dbraw/zinc/53/86/65/1129538665.db2.gz	PFFIIDCGZSESQD-HWKANZROSA-N	-1	0	297.310	3.813	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1	ZINC000254517121	1129699387	/nfs/dbraw/zinc/69/93/87/1129699387.db2.gz	OASADJUAJSHSLF-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
CC1(C)CC(=O)C=C(Nc2cc(F)ccc2[S-])C1	ZINC001169953373	1129768023	/nfs/dbraw/zinc/76/80/23/1129768023.db2.gz	TUSVPLMGBANEGV-UHFFFAOYSA-N	-1	0	265.353	3.799	20	30		CHEDRM
N#Cc1ncc(-c2cccc(Cl)c2[O-])cc1C(F)(F)F	ZINC001242365882	1129797257	/nfs/dbraw/zinc/79/72/57/1129797257.db2.gz	AIYBLGOYTWXNEC-UHFFFAOYSA-N	-1	0	298.651	3.998	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(C(=O)[O-])c2)C[C@H]1c1ccccc1	ZINC000767745193	1129811447	/nfs/dbraw/zinc/81/14/47/1129811447.db2.gz	ZUZRNUIFPAAYSN-MLGOLLRUSA-N	-1	0	294.354	3.976	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCC[C@H](C)C1	ZINC000768367349	1129854306	/nfs/dbraw/zinc/85/43/06/1129854306.db2.gz	PEUCGDYWYLGDQM-RYUDHWBXSA-N	-1	0	290.363	3.617	20	30		CHEDRM
CC(=NNc1cccc(C#N)c1)c1ccc([O-])c(Cl)c1	ZINC000768773756	1129873550	/nfs/dbraw/zinc/87/35/50/1129873550.db2.gz	PWXGBHGMEGHCHT-UHFFFAOYSA-N	-1	0	285.734	3.753	20	30		CHEDRM
CC(=NNc1cc(C)ccc1F)c1sccc1[O-]	ZINC000769794959	1129925360	/nfs/dbraw/zinc/92/53/60/1129925360.db2.gz	ZWXROKHCEYYLEA-UHFFFAOYSA-N	-1	0	264.325	3.737	20	30		CHEDRM
C=C(Cl)C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901939505	1129966846	/nfs/dbraw/zinc/96/68/46/1129966846.db2.gz	TWZKJADYGZSQQC-CMPLNLGQSA-N	-1	0	293.750	3.679	20	30		CHEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1cccc([O-])c1Cl	ZINC001242799117	1130052916	/nfs/dbraw/zinc/05/29/16/1130052916.db2.gz	VCKITDIXZINVAE-UHFFFAOYSA-N	-1	0	298.651	3.998	20	30		CHEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)C1CCC(F)(F)CC1	ZINC000788694753	1130205446	/nfs/dbraw/zinc/20/54/46/1130205446.db2.gz	RIQRTDWOSSFGDF-UHFFFAOYSA-N	-1	0	296.317	3.998	20	30		CHEDRM
CCc1ccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748411296	1130231369	/nfs/dbraw/zinc/23/13/69/1130231369.db2.gz	NMAYQQGSRXVINV-GFCCVEGCSA-N	-1	0	294.354	3.568	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1ccc(C(F)(F)F)nc1	ZINC001240269902	1130254105	/nfs/dbraw/zinc/25/41/05/1130254105.db2.gz	KTHOTRSXXSFZEC-UHFFFAOYSA-N	-1	0	266.222	3.576	20	30		CHEDRM
CC(C)Cc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000790820969	1130334286	/nfs/dbraw/zinc/33/42/86/1130334286.db2.gz	CNCSBNOBHUNRSQ-UHFFFAOYSA-N	-1	0	294.354	3.715	20	30		CHEDRM
N#CCc1ccccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240549761	1130352191	/nfs/dbraw/zinc/35/21/91/1130352191.db2.gz	WATXBMMYZOLKCC-CMDGGOBGSA-N	-1	0	263.296	3.517	20	30		CHEDRM
Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)cc(F)c1C#N	ZINC001240550070	1130352306	/nfs/dbraw/zinc/35/23/06/1130352306.db2.gz	NXEDJMNNWJJHPQ-AATRIKPKSA-N	-1	0	281.286	3.771	20	30		CHEDRM
C=CC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000792167717	1130434992	/nfs/dbraw/zinc/43/49/92/1130434992.db2.gz	OMPOBUKTNGPMKS-UHFFFAOYSA-N	-1	0	269.747	3.583	20	30		CHEDRM
COc1c(F)ccc(F)c1-c1cc(/C=N/[O-])ccc1F	ZINC001240725801	1130441523	/nfs/dbraw/zinc/44/15/23/1130441523.db2.gz	VGYWAEMKUWLPNH-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CCC#N)cc1	ZINC001240734572	1130446071	/nfs/dbraw/zinc/44/60/71/1130446071.db2.gz	BSRRDLHFVGWZTQ-UHFFFAOYSA-N	-1	0	281.311	3.517	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C(C)(C)C#N)cc1	ZINC001240737329	1130447128	/nfs/dbraw/zinc/44/71/28/1130447128.db2.gz	CTZJOUVKKAZDFO-UHFFFAOYSA-N	-1	0	295.338	3.862	20	30		CHEDRM
COc1cc(-c2cccc(C3(C#N)CC3)c2)ccc1C(=O)[O-]	ZINC001240742835	1130450611	/nfs/dbraw/zinc/45/06/11/1130450611.db2.gz	DXLYQZZLVNOPDQ-UHFFFAOYSA-N	-1	0	293.322	3.616	20	30		CHEDRM
N#Cc1c2ccccc2cnc1-c1ccc([O-])c(F)c1	ZINC001240781775	1130468532	/nfs/dbraw/zinc/46/85/32/1130468532.db2.gz	ITZSRSXXGZRZIT-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
N#Cc1c(-c2ccc(C(=O)[O-])s2)ccc2ncccc12	ZINC001240848438	1130493413	/nfs/dbraw/zinc/49/34/13/1130493413.db2.gz	AJOJGQVVRIDRSM-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240974419	1130546048	/nfs/dbraw/zinc/54/60/48/1130546048.db2.gz	NMHFZYXCHSDSIS-UHFFFAOYSA-N	-1	0	294.354	3.545	20	30		CHEDRM
CCc1cc(-c2ccc(CC(=O)[O-])cc2)cc(CC)c1C#N	ZINC001240976551	1130546448	/nfs/dbraw/zinc/54/64/48/1130546448.db2.gz	QDMZSFXTAWHILP-UHFFFAOYSA-N	-1	0	293.366	3.977	20	30		CHEDRM
[O-]/N=C/c1ccc(-c2cc(F)c(F)c(F)c2)cc1F	ZINC001240982996	1130550816	/nfs/dbraw/zinc/55/08/16/1130550816.db2.gz	POEONUPULLSRQJ-NGYBGAFCSA-N	-1	0	269.197	3.718	20	30		CHEDRM
[O-]/N=C/c1ccc(-c2ccc(F)c(F)c2F)cc1F	ZINC001240993043	1130555997	/nfs/dbraw/zinc/55/59/97/1130555997.db2.gz	VLCSZLZXCDVRTM-NGYBGAFCSA-N	-1	0	269.197	3.718	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc(C(C)(C)C)ccc1C#N	ZINC001241001140	1130558334	/nfs/dbraw/zinc/55/83/34/1130558334.db2.gz	PWQMEISTWXHHLG-UHFFFAOYSA-N	-1	0	294.354	3.924	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1cc(C(=O)[O-])ccc1C	ZINC001241000121	1130558704	/nfs/dbraw/zinc/55/87/04/1130558704.db2.gz	ZYMXHJXAKBWXLH-UHFFFAOYSA-N	-1	0	267.328	3.792	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2cc(C(=O)[O-])ccc2C)cc1	ZINC001241005244	1130562259	/nfs/dbraw/zinc/56/22/59/1130562259.db2.gz	KVVGOJZWBCSIFE-GZTJUZNOSA-N	-1	0	269.300	3.558	20	30		CHEDRM
CC(C)CC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCC1	ZINC000759716882	1130671482	/nfs/dbraw/zinc/67/14/82/1130671482.db2.gz	FLDPZIHRPNTIKJ-UHFFFAOYSA-N	-1	0	286.375	3.809	20	30		CHEDRM
COc1ccc([C@H](C)Oc2ccccc2C=N[O-])c(F)c1	ZINC001234820493	1130678958	/nfs/dbraw/zinc/67/89/58/1130678958.db2.gz	WLEWTZMOCJIKHF-NSHDSACASA-N	-1	0	289.306	3.782	20	30		CHEDRM
C=CCC[C@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822403	1130679027	/nfs/dbraw/zinc/67/90/27/1130679027.db2.gz	WNCADOPNLPAYKV-ZDUSSCGKSA-N	-1	0	288.343	3.931	20	30		CHEDRM
CC(N=Nc1ccccc1C(=O)[O-])C1CCCCC1	ZINC000812441845	1130690474	/nfs/dbraw/zinc/69/04/74/1130690474.db2.gz	HJDMSNZNSZHIAC-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1ccc2c(c1)CCC2	ZINC000812445433	1130694864	/nfs/dbraw/zinc/69/48/64/1130694864.db2.gz	QVRIMCGOXRCFMA-UHFFFAOYSA-N	-1	0	294.354	3.710	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2sccc2Cl)cc1	ZINC000782095695	1130754465	/nfs/dbraw/zinc/75/44/65/1130754465.db2.gz	ADJMWKQPGDOOGM-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
Cc1ccc(F)c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000782207689	1130762668	/nfs/dbraw/zinc/76/26/68/1130762668.db2.gz	RBMDHJSNHVEWOO-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
O=C(/C=C/c1scnc1C1CC1)c1ccc(F)cc1[O-]	ZINC000782348094	1130773406	/nfs/dbraw/zinc/77/34/06/1130773406.db2.gz	POZKYPMTHOKPKM-AATRIKPKSA-N	-1	0	289.331	3.761	20	30		CHEDRM
COc1ccc(-c2c(F)cc(F)c([O-])c2F)c(CC#N)c1	ZINC001235996126	1130824554	/nfs/dbraw/zinc/82/45/54/1130824554.db2.gz	JRHIFURNKPDPOR-UHFFFAOYSA-N	-1	0	293.244	3.551	20	30		CHEDRM
N#Cc1cc2cc(-c3c(F)cc(F)c([O-])c3F)ccc2[nH]1	ZINC001235995933	1130825328	/nfs/dbraw/zinc/82/53/28/1130825328.db2.gz	IEELEPVTFUZVER-UHFFFAOYSA-N	-1	0	288.228	3.829	20	30		CHEDRM
CO/N=C/c1cc(-c2c(F)cc(F)c([O-])c2F)ccc1F	ZINC001236000954	1130828371	/nfs/dbraw/zinc/82/83/71/1130828371.db2.gz	QIRCJMOWASBSBV-KPSZGOFPSA-N	-1	0	299.223	3.596	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccco2)c(Cl)c1	ZINC000783710010	1130851586	/nfs/dbraw/zinc/85/15/86/1130851586.db2.gz	YSWLXKFGYIRXHZ-WAYWQWQTSA-N	-1	0	276.675	3.527	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCCC[C@H]1C	ZINC000783863735	1130859907	/nfs/dbraw/zinc/85/99/07/1130859907.db2.gz	RFSPWQPJVIGPNG-YPMHNXCESA-N	-1	0	290.363	3.617	20	30		CHEDRM
N#Cc1c(F)cccc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236152825	1130876849	/nfs/dbraw/zinc/87/68/49/1130876849.db2.gz	ODQMSYMJIMNTHC-UHFFFAOYSA-N	-1	0	293.656	3.855	20	30		CHEDRM
CC(CC(F)(F)F)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814689682	1130900894	/nfs/dbraw/zinc/90/08/94/1130900894.db2.gz	CTOKIBICRBYBNB-UHFFFAOYSA-N	-1	0	294.660	3.778	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000814858847	1130924569	/nfs/dbraw/zinc/92/45/69/1130924569.db2.gz	IBXZAXAHUNHBPA-IHRRRGAJSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@H]1C(=NOC2CCCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814910142	1130929691	/nfs/dbraw/zinc/92/96/91/1130929691.db2.gz	QYGZPMHLKKNQDF-WCQYABFASA-N	-1	0	281.396	3.849	20	30		CHEDRM
C[C@@H]1C(=NNCCC(C)(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814901310	1130932041	/nfs/dbraw/zinc/93/20/41/1130932041.db2.gz	IAJOHZNRVQEUJJ-NEPJUHHUSA-N	-1	0	282.428	3.525	20	30		CHEDRM
C[C@@H]1C(=NNCC2(C)CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814937978	1130940113	/nfs/dbraw/zinc/94/01/13/1130940113.db2.gz	SWFLPVJEEMEXEF-CHWSQXEVSA-N	-1	0	294.439	3.669	20	30		CHEDRM
CC[C@H](C)CON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814939058	1130940961	/nfs/dbraw/zinc/94/09/61/1130940961.db2.gz	CLHMVZLKZOYEIC-SDDRHHMPSA-N	-1	0	269.385	3.562	20	30		CHEDRM
CC(=NNc1ccc(F)c(F)c1F)c1sccc1[O-]	ZINC000814945020	1130943693	/nfs/dbraw/zinc/94/36/93/1130943693.db2.gz	IAIFNHIHZZFEKA-UHFFFAOYSA-N	-1	0	286.278	3.707	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2C[C@H](c3ccccc3)C2)c1	ZINC000797785132	1131002202	/nfs/dbraw/zinc/00/22/02/1131002202.db2.gz	UTPWEZVLFMTYIL-ZKJMASMISA-N	-1	0	296.326	3.666	20	30		CHEDRM
C#C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000798343496	1131033308	/nfs/dbraw/zinc/03/33/08/1131033308.db2.gz	IBGPBJZPYCUIGV-DYPRAHPUSA-N	-1	0	270.159	3.776	20	30		CHEDRM
COc1cccc(/C=C\C(=O)c2ccc(F)cc2[O-])c1F	ZINC000799893032	1131112933	/nfs/dbraw/zinc/11/29/33/1131112933.db2.gz	WABOKEFMVWYQAS-YVMONPNESA-N	-1	0	290.265	3.575	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C/c2cc(C#N)cs2)c([O-])c1	ZINC000799895044	1131113569	/nfs/dbraw/zinc/11/35/69/1131113569.db2.gz	JMYBJEZUOCRUHM-ONEGZZNKSA-N	-1	0	283.352	3.838	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C\c2cc(C#N)cs2)c([O-])c1	ZINC000799895041	1131113991	/nfs/dbraw/zinc/11/39/91/1131113991.db2.gz	JMYBJEZUOCRUHM-ARJAWSKDSA-N	-1	0	283.352	3.838	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc3c(c2)CCC3)s1	ZINC001116139028	1131131199	/nfs/dbraw/zinc/13/11/99/1131131199.db2.gz	DOZKONJIYLXTTA-ALCCZGGFSA-N	-1	0	298.363	3.831	20	30		CHEDRM
Cc1cc(C)cc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001202847329	1131527310	/nfs/dbraw/zinc/52/73/10/1131527310.db2.gz	GAWPWGQYUXIJMI-UHFFFAOYSA-N	-1	0	299.305	3.664	20	30		CHEDRM
Cc1c(N=NC2CCC(C)(C#N)CC2)cccc1C(=O)[O-]	ZINC000844623300	1131585953	/nfs/dbraw/zinc/58/59/53/1131585953.db2.gz	LKQDXOXLHANQCQ-UHFFFAOYSA-N	-1	0	285.347	3.565	20	30		CHEDRM
Cc1c(N=NC2CCC[C@@H]3C[C@@]32C)cccc1C(=O)[O-]	ZINC000844622616	1131586285	/nfs/dbraw/zinc/58/62/85/1131586285.db2.gz	HMKUYMWKWUANQA-BZNIZROVSA-N	-1	0	272.348	3.671	20	30		CHEDRM
Cc1c(N=NC2CCC(C)CC2)cccc1C(=O)[O-]	ZINC000844627756	1131587120	/nfs/dbraw/zinc/58/71/20/1131587120.db2.gz	QLLNYXUEVCQNJN-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
C=C(C)CO[N-]C(=O)CSc1ccc(C(C)C)cc1	ZINC001144640432	1131669729	/nfs/dbraw/zinc/66/97/29/1131669729.db2.gz	WMQKQTGGUWTPQD-UHFFFAOYSA-N	-1	0	279.405	3.526	20	30		CHEDRM
CCCCCCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012846	1131754739	/nfs/dbraw/zinc/75/47/39/1131754739.db2.gz	XACGYXVOSSQBHF-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
CC(CC1CCC1)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012221	1131755682	/nfs/dbraw/zinc/75/56/82/1131755682.db2.gz	NVPYDUPWZHSGLL-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CC(=O)/C=C/c1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1	ZINC001228497539	1131898317	/nfs/dbraw/zinc/89/83/17/1131898317.db2.gz	VKIHBWSFDGBYBP-NPQIQWPPSA-N	-1	0	253.321	3.757	20	30		CHEDRM
COc1ccc(C)cc1C=CC(=O)c1sccc1[O-]	ZINC000773148812	1131963331	/nfs/dbraw/zinc/96/33/31/1131963331.db2.gz	IAVDKHKDNYCNCU-PLNGDYQASA-N	-1	0	274.341	3.667	20	30		CHEDRM
CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000773180662	1131977263	/nfs/dbraw/zinc/97/72/63/1131977263.db2.gz	PSABMQQXMBTTTO-IUODEOHRSA-N	-1	0	272.348	3.775	20	30		CHEDRM
C=C[C@@H](C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231209867	1132270913	/nfs/dbraw/zinc/27/09/13/1132270913.db2.gz	FHGKEEZEZFZDGV-GFCCVEGCSA-N	-1	0	268.312	3.577	20	30		CHEDRM
C[C@H](F)CC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840705069	1132271314	/nfs/dbraw/zinc/27/13/14/1132271314.db2.gz	DQAAYMVFWNDRAX-CKLBDGOISA-N	-1	0	264.127	3.866	20	30		CHEDRM
CC(F)(F)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840706911	1132272683	/nfs/dbraw/zinc/27/26/83/1132272683.db2.gz	QAJIAVCQPGACBW-SYZQJQIISA-N	-1	0	268.090	3.773	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)c([O-])c1	ZINC000840716340	1132275753	/nfs/dbraw/zinc/27/57/53/1132275753.db2.gz	KOMFDEBPYWUSLZ-VURMDHGXSA-N	-1	0	296.370	3.684	20	30		CHEDRM
N#C[C@@H]1CCCCN1Cc1ccc(Cl)c([O-])c1Cl	ZINC001232627611	1132499010	/nfs/dbraw/zinc/49/90/10/1132499010.db2.gz	LQTATEVGTMZUPE-JTQLQIEISA-N	-1	0	285.174	3.577	20	30		CHEDRM
N#Cc1cc(NC(=O)c2cccc3sccc32)ccc1O	ZINC001153437423	1132594014	/nfs/dbraw/zinc/59/40/14/1132594014.db2.gz	NSNQYGDGECTBTG-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
Cc1cccc(C)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173876634	1132619067	/nfs/dbraw/zinc/61/90/67/1132619067.db2.gz	SMQVFICDODTTLC-UHFFFAOYSA-N	-1	0	256.280	3.763	20	30		CHEDRM
C#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F	ZINC001174497159	1132862947	/nfs/dbraw/zinc/86/29/47/1132862947.db2.gz	IHAPBNXAEKEOHJ-RMKNXTFCSA-N	-1	0	281.286	3.648	20	30		CHEDRM
C#Cc1ccccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174501113	1132903128	/nfs/dbraw/zinc/90/31/28/1132903128.db2.gz	ZNOOJOHJTJRASI-ZHACJKMWSA-N	-1	0	263.296	3.509	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc([C@H](C)C#N)cc1	ZINC001174677241	1132945065	/nfs/dbraw/zinc/94/50/65/1132945065.db2.gz	HAVSLOPNKGYXKF-LLVKDONJSA-N	-1	0	296.326	3.764	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(F)cc2[nH]ccc21	ZINC001203733569	1133361366	/nfs/dbraw/zinc/36/13/66/1133361366.db2.gz	GCFUTSZDMKUQQN-UHFFFAOYSA-N	-1	0	273.292	3.689	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206031988	1133644899	/nfs/dbraw/zinc/64/48/99/1133644899.db2.gz	VUQIKENWONLQOI-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1cnc(-c2csc(C(=O)[O-])c2)c2sccc21	ZINC001206272841	1133680436	/nfs/dbraw/zinc/68/04/36/1133680436.db2.gz	RCRBVFBDDMLMLN-UHFFFAOYSA-N	-1	0	286.337	3.595	20	30		CHEDRM
N#Cc1ccc2c(c1)nccc2-c1csc(C(=O)[O-])c1	ZINC001206278202	1133681805	/nfs/dbraw/zinc/68/18/05/1133681805.db2.gz	CGVUSKFARJBXBZ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#Cc1ccc2cc(-c3csc(C(=O)[O-])c3)ccc2n1	ZINC001206298377	1133685420	/nfs/dbraw/zinc/68/54/20/1133685420.db2.gz	BPCSVSQFDGELOI-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
C=Cc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001209943742	1134105056	/nfs/dbraw/zinc/10/50/56/1134105056.db2.gz	LSTCIKOADONGJN-UHFFFAOYSA-N	-1	0	254.264	3.790	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C#N)s1	ZINC001210007991	1134121233	/nfs/dbraw/zinc/12/12/33/1134121233.db2.gz	WBXNOZKBJKTXRD-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210007950	1134121607	/nfs/dbraw/zinc/12/16/07/1134121607.db2.gz	UFTNQHMKETVAHR-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C#N)cc1F	ZINC001210007871	1134121691	/nfs/dbraw/zinc/12/16/91/1134121691.db2.gz	JXVDLRRSJDHTJA-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1noc([N-]c2c(F)cccc2C(F)(F)F)c1C#N	ZINC001210127589	1134153076	/nfs/dbraw/zinc/15/30/76/1134153076.db2.gz	DFWHHGSUZJPQOF-UHFFFAOYSA-N	-1	0	285.200	3.756	20	30		CHEDRM
C=C(C)c1ccccc1Nc1ccc(C(=O)[O-])nc1	ZINC001210176379	1134159857	/nfs/dbraw/zinc/15/98/57/1134159857.db2.gz	WUSMBHNQDFQKTB-UHFFFAOYSA-N	-1	0	254.289	3.557	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])nc2)c2ccccc12	ZINC001210177104	1134160386	/nfs/dbraw/zinc/16/03/86/1134160386.db2.gz	UBFAFDASCABIHP-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
N#Cc1cc(Nc2cccc3ccncc32)c([O-])cc1F	ZINC001210230949	1134174120	/nfs/dbraw/zinc/17/41/20/1134174120.db2.gz	KUXJYISQNJIFQT-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
COc1ccc(C#N)c(Nc2cccc([O-])c2Cl)c1	ZINC001210855232	1134314142	/nfs/dbraw/zinc/31/41/42/1134314142.db2.gz	UQQLAYJIZVHTRL-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
Cc1cc(Cl)nc(Nc2cccc([S-])c2)c1C#N	ZINC001210946417	1134335420	/nfs/dbraw/zinc/33/54/20/1134335420.db2.gz	LWMUCSPKIOTMBI-UHFFFAOYSA-N	-1	0	275.764	3.947	20	30		CHEDRM
N#Cc1ccc(Nc2cc(Cl)ccc2[S-])c(N)c1	ZINC001213358315	1134443633	/nfs/dbraw/zinc/44/36/33/1134443633.db2.gz	UKVNGHDXXJMFBW-UHFFFAOYSA-N	-1	0	275.764	3.826	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)ccc2[S-])ccc1N	ZINC001213436072	1134447550	/nfs/dbraw/zinc/44/75/50/1134447550.db2.gz	QNIBIKIWQHNSHL-UHFFFAOYSA-N	-1	0	275.764	3.826	20	30		CHEDRM
COCc1ccc(C)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001213580550	1134465589	/nfs/dbraw/zinc/46/55/89/1134465589.db2.gz	PDAISXKSQWGQTC-UHFFFAOYSA-N	-1	0	286.306	3.601	20	30		CHEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])ccc2OCC)cc1	ZINC001214276439	1134526796	/nfs/dbraw/zinc/52/67/96/1134526796.db2.gz	GPRREPNOKRDMLV-UHFFFAOYSA-N	-1	0	281.311	3.508	20	30		CHEDRM
N#Cc1cc(F)cc(Nc2cc(F)c([O-])c(Cl)c2)c1	ZINC001214486766	1134543742	/nfs/dbraw/zinc/54/37/42/1134543742.db2.gz	YHCBHRCMDUXTBB-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214488316	1134543900	/nfs/dbraw/zinc/54/39/00/1134543900.db2.gz	BRBOSHHXAWDAKP-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cc(O)ccc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214492277	1134544704	/nfs/dbraw/zinc/54/47/04/1134544704.db2.gz	XFDJCBKNDKPJAW-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
N#Cc1cccc(O)c1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214491788	1134544795	/nfs/dbraw/zinc/54/47/95/1134544795.db2.gz	JSBYYCGUIKBMDP-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
COc1cccc(Nc2ccc(Cl)c([O-])c2F)c1C#N	ZINC001214803650	1134574915	/nfs/dbraw/zinc/57/49/15/1134574915.db2.gz	BBFVHEKRXGRVKH-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
C#Cc1cccc(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214798898	1134575426	/nfs/dbraw/zinc/57/54/26/1134575426.db2.gz	AHMANXMYZJFQRV-UHFFFAOYSA-N	-1	0	261.683	3.910	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001215274257	1134613558	/nfs/dbraw/zinc/61/35/58/1134613558.db2.gz	OXMZQNMJDXMQQY-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)cc1	ZINC001215695451	1134660866	/nfs/dbraw/zinc/66/08/66/1134660866.db2.gz	CVJWDPZKLZVHPN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cnoc1[N-]c1c(F)c(Cl)cc(Cl)c1F	ZINC001215937720	1134725947	/nfs/dbraw/zinc/72/59/47/1134725947.db2.gz	ZFICHTVXEQWZGW-UHFFFAOYSA-N	-1	0	290.056	3.875	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1ccnc(Cl)c1[O-]	ZINC001216126991	1134785945	/nfs/dbraw/zinc/78/59/45/1134785945.db2.gz	KIKJDPAWORZJIA-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
Cc1cc(C)cc(-c2noc(-c3cccc(C#N)c3[O-])n2)c1	ZINC001216979560	1134956876	/nfs/dbraw/zinc/95/68/76/1134956876.db2.gz	BZIHFUANSAIHTR-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
N#Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c([O-])c1	ZINC001217038577	1134959249	/nfs/dbraw/zinc/95/92/49/1134959249.db2.gz	CFPKKSNHGWKTDS-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
O=C([O-])C1(c2ccc(-c3cccc(CS)c3)cc2)CC1	ZINC001222694200	1135264530	/nfs/dbraw/zinc/26/45/30/1135264530.db2.gz	GBRLDQXQIPIAKE-UHFFFAOYSA-N	-1	0	284.380	3.900	20	30		CHEDRM
Cc1cc(CC#N)ccc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222694647	1135264673	/nfs/dbraw/zinc/26/46/73/1135264673.db2.gz	VUUFAIBYHLXODX-UHFFFAOYSA-N	-1	0	291.350	3.844	20	30		CHEDRM
CCCCCCCCCC[C@@H](C)OCCS(=O)(=O)[O-]	ZINC001224570437	1135460568	/nfs/dbraw/zinc/46/05/68/1135460568.db2.gz	BCVZWHHRBXIPDK-CQSZACIVSA-N	-1	0	294.457	3.810	20	30		CHEDRM
CCCCCCCC[C@H](CC)OCC[P@@](=O)([O-])O	ZINC001224603531	1135461726	/nfs/dbraw/zinc/46/17/26/1135461726.db2.gz	ZOKFHUMJWTXDQH-ZDUSSCGKSA-N	-1	0	280.345	3.710	20	30		CHEDRM
N#C[C@H](Oc1ccc([S-])cc1)c1cccc(F)c1	ZINC001225557216	1135586929	/nfs/dbraw/zinc/58/69/29/1135586929.db2.gz	COZGJAHKCCCIQD-AWEZNQCLSA-N	-1	0	259.305	3.758	20	30		CHEDRM
C[C@@H](Oc1ccc(C#N)cc1Br)C1=CC=C[CH]1	ZINC001225766516	1135619442	/nfs/dbraw/zinc/61/94/42/1135619442.db2.gz	CJIHNXCFAWTGHS-SNVBAGLBSA-N	-1	0	289.152	3.789	20	30		CHEDRM
CC(C)[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226008504	1135651689	/nfs/dbraw/zinc/65/16/89/1135651689.db2.gz	HRMFKYDNOVZKLE-CQSZACIVSA-N	-1	0	286.306	3.574	20	30		CHEDRM
CC(C)c1ccc(C#N)c(O[C@H](C)C2=CC=C[CH]2)n1	ZINC001226353644	1135685803	/nfs/dbraw/zinc/68/58/03/1135685803.db2.gz	GKAKCPWZDQUAFM-GFCCVEGCSA-N	-1	0	253.325	3.544	20	30		CHEDRM
C=CCC[C@@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605908	1135849670	/nfs/dbraw/zinc/84/96/70/1135849670.db2.gz	SEYICNDPIPBQFW-SSDOTTSWSA-N	-1	0	277.151	3.613	20	30		CHEDRM
O=C([N-]S(=O)(=O)c1ccccc1)C1CCCCCCC1	ZINC000076755544	260166714	/nfs/dbraw/zinc/16/67/14/260166714.db2.gz	DZONAWXMINBFFE-UHFFFAOYSA-N	-1	0	295.404	3.692	20	30		CHEDRM
N#Cc1cc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)[O-])cs1	ZINC000517966252	260328401	/nfs/dbraw/zinc/32/84/01/260328401.db2.gz	VULRUFRLWGVHJU-RDJZCZTQSA-N	-1	0	295.363	3.575	20	30		CHEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000285502705	263093522	/nfs/dbraw/zinc/09/35/22/263093522.db2.gz	AZTTUSNTQYRLBN-LBPRGKRZSA-N	-1	0	287.146	3.577	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C2CC2)n1	ZINC000357508815	266312776	/nfs/dbraw/zinc/31/27/76/266312776.db2.gz	GBXSLZIPNQDUFB-NSHDSACASA-N	-1	0	288.397	3.881	20	30		CHEDRM
C/C=C\c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000570080855	327567257	/nfs/dbraw/zinc/56/72/57/327567257.db2.gz	OUGTZEZSBBTZFC-IHWYPQMZSA-N	-1	0	278.311	3.549	20	30		CHEDRM
CCc1cnccc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000180372381	329215599	/nfs/dbraw/zinc/21/55/99/329215599.db2.gz	KYSGWMKGPPBTHL-ZDUSSCGKSA-N	-1	0	299.399	3.714	20	30		CHEDRM
Cc1scc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000180743189	329222744	/nfs/dbraw/zinc/22/27/44/329222744.db2.gz	OQDRPBJZIQGVPR-NSHDSACASA-N	-1	0	296.351	3.996	20	30		CHEDRM
CCc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000049004230	329633774	/nfs/dbraw/zinc/63/37/74/329633774.db2.gz	DNRLCGJRIIUUNN-JTQLQIEISA-N	-1	0	276.386	3.566	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000263182586	330047865	/nfs/dbraw/zinc/04/78/65/330047865.db2.gz	HLQVROIGYFWCRZ-GFCCVEGCSA-N	-1	0	287.359	3.582	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CCC1	ZINC000263335543	330052472	/nfs/dbraw/zinc/05/24/72/330052472.db2.gz	QTZYQHSVRLZDSB-GFCCVEGCSA-N	-1	0	287.359	3.560	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430595901	330569513	/nfs/dbraw/zinc/56/95/13/330569513.db2.gz	VSXPFTOWJVNGRW-NSHDSACASA-N	-1	0	288.372	3.832	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2scnc2C(C)C)n1	ZINC000453580311	331134775	/nfs/dbraw/zinc/13/47/75/331134775.db2.gz	BWVPFYCFICTMBC-VIFPVBQESA-N	-1	0	291.401	3.522	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1sccc1Cl	ZINC000195336078	331170127	/nfs/dbraw/zinc/17/01/27/331170127.db2.gz	CIMGHUSHEVHXOI-ONEGZZNKSA-N	-1	0	290.731	3.537	20	30		CHEDRM
CC1CC(C#N)(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000546151699	334016734	/nfs/dbraw/zinc/01/67/34/334016734.db2.gz	MRYCFRFYRXNMGA-UHFFFAOYSA-N	-1	0	299.157	3.577	20	30		CHEDRM
C=CCOc1ccccc1/C=C/c1cc(C(=O)[O-])ccn1	ZINC000550976104	334235219	/nfs/dbraw/zinc/23/52/19/334235219.db2.gz	UINNCUOIZAXHSP-BQYQJAHWSA-N	-1	0	281.311	3.515	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000148497176	600001636	/nfs/dbraw/zinc/00/16/36/600001636.db2.gz	MSYDQXLHMVTZGU-UHFFFAOYSA-N	-1	0	293.363	3.692	20	30		CHEDRM
C[C@@H](Sc1ccccc1C#N)c1ccc(C(=O)[O-])o1	ZINC000736712165	600934942	/nfs/dbraw/zinc/93/49/42/600934942.db2.gz	JEPYYLKYLMBFMT-SECBINFHSA-N	-1	0	273.313	3.703	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/CCc3cc(F)ccc3C2=O)cc1	ZINC000747439247	601293834	/nfs/dbraw/zinc/29/38/34/601293834.db2.gz	AVUHZXVNUYJLST-ZROIWOOFSA-N	-1	0	296.297	3.736	20	30		CHEDRM
CC(C)[C@@H](C)SCc1cccc(C(=O)[O-])c1C#N	ZINC000833468677	604552572	/nfs/dbraw/zinc/55/25/72/604552572.db2.gz	JLXCRYDWNKYXFT-SNVBAGLBSA-N	-1	0	263.362	3.534	20	30		CHEDRM
Cc1ccsc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832984421	604628207	/nfs/dbraw/zinc/62/82/07/604628207.db2.gz	PWFQYZPVCAKUDQ-VOTSOKGWSA-N	-1	0	272.325	3.651	20	30		CHEDRM
O=C([O-])c1ccc(C=NOCc2cc3ccccc3o2)cc1	ZINC000833312477	604648626	/nfs/dbraw/zinc/64/86/26/604648626.db2.gz	CGPMGFJLPOQOBS-UHFFFAOYSA-N	-1	0	295.294	3.682	20	30		CHEDRM
C#CCCCCC(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000318486544	605009691	/nfs/dbraw/zinc/00/96/91/605009691.db2.gz	LBMGKTISKVOVCJ-UHFFFAOYSA-N	-1	0	295.338	3.670	20	30		CHEDRM
C[C@H](CN=Nc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000756876411	605098033	/nfs/dbraw/zinc/09/80/33/605098033.db2.gz	NXURDRDVXPRCBR-LLVKDONJSA-N	-1	0	286.306	3.725	20	30		CHEDRM
C=CCC(CC=C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833369790	605134732	/nfs/dbraw/zinc/13/47/32/605134732.db2.gz	FIVRDXLJJXCKHJ-UHFFFAOYSA-N	-1	0	292.306	3.506	20	30		CHEDRM
C[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833607911	605157152	/nfs/dbraw/zinc/15/71/52/605157152.db2.gz	JSZGMURHZBWUTR-QMMMGPOBSA-N	-1	0	266.728	3.626	20	30		CHEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1	ZINC000783772087	605329120	/nfs/dbraw/zinc/32/91/20/605329120.db2.gz	JOUBCHOQBPCTKW-DGCLKSJQSA-N	-1	0	260.337	3.609	20	30		CHEDRM
C=CC[C@H](Sc1cc(C)ccc1Cl)C(=O)[O-]	ZINC001588758417	984105901	/nfs/dbraw/zinc/10/59/01/984105901.db2.gz	FWESNRYYSVBXJA-JTQLQIEISA-N	-1	0	256.754	3.770	20	30		CHEDRM
CCCCCCCCC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000088362943	958053672	/nfs/dbraw/zinc/05/36/72/958053672.db2.gz	ODKVHLNLMINMKG-UHFFFAOYSA-N	-1	0	297.439	3.840	20	30		CHEDRM
N#Cc1c(F)cccc1Oc1ccc(C(=O)[O-])cc1Cl	ZINC000093410594	958244108	/nfs/dbraw/zinc/24/41/08/958244108.db2.gz	UUGWCFDUVXDYNH-UHFFFAOYSA-N	-1	0	291.665	3.841	20	30		CHEDRM
CCCCCCCC(=O)Oc1cccc(C(=O)[O-])c1	ZINC000100149871	958357062	/nfs/dbraw/zinc/35/70/62/958357062.db2.gz	HFRHBDRTQGWNHK-UHFFFAOYSA-N	-1	0	264.321	3.651	20	30		CHEDRM
CCCCCCCC(=O)Nc1c(F)cccc1C(=O)[O-]	ZINC000150187310	959034453	/nfs/dbraw/zinc/03/44/53/959034453.db2.gz	NOXQDEHNONSBJI-UHFFFAOYSA-N	-1	0	281.327	3.823	20	30		CHEDRM
C=CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001573346632	962941735	/nfs/dbraw/zinc/94/17/35/962941735.db2.gz	FJHSEZVVLSSYLW-UHFFFAOYSA-N	-1	0	298.342	3.624	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001573346809	962942014	/nfs/dbraw/zinc/94/20/14/962942014.db2.gz	GSGNLAGXHNOSGE-QMMMGPOBSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C)c(C)c1C(=O)[O-]	ZINC001573347584	962949336	/nfs/dbraw/zinc/94/93/36/962949336.db2.gz	MNIAVAZAAFSDNA-UHFFFAOYSA-N	-1	0	275.348	3.542	20	30		CHEDRM
C=CCCc1ccccc1NC(=O)c1cc(C(=O)[O-])oc1C	ZINC001573359986	963029585	/nfs/dbraw/zinc/02/95/85/963029585.db2.gz	CFDHJZIFCUZISI-UHFFFAOYSA-N	-1	0	299.326	3.657	20	30		CHEDRM
C=CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1	ZINC001573360531	963039411	/nfs/dbraw/zinc/03/94/11/963039411.db2.gz	RHWGBJOSCRIXCU-UHFFFAOYSA-N	-1	0	295.338	3.526	20	30		CHEDRM
C#CCCCCCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-]	ZINC001588440886	964046900	/nfs/dbraw/zinc/04/69/00/964046900.db2.gz	VTBXASZRZLPPSK-UHFFFAOYSA-N	-1	0	287.359	3.524	20	30		CHEDRM
C#CCCCCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588440952	964048313	/nfs/dbraw/zinc/04/83/13/964048313.db2.gz	ZXEXFESYXICFHK-UHFFFAOYSA-N	-1	0	295.338	3.670	20	30		CHEDRM
CC(C)c1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1	ZINC001591974076	976584908	/nfs/dbraw/zinc/58/49/08/976584908.db2.gz	MKSRAGNYAHKFIG-UHFFFAOYSA-N	-1	0	281.315	3.518	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CC(c3ccccc3F)C2)c1	ZINC000743417294	978678764	/nfs/dbraw/zinc/67/87/64/978678764.db2.gz	GUTFMAXAZJSGBG-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CC(c3ccc(F)cc3)C2)c1	ZINC000759178707	978705354	/nfs/dbraw/zinc/70/53/54/978705354.db2.gz	CPXRCBXABWHIPB-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
CCCCCCCC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000762143688	978717662	/nfs/dbraw/zinc/71/76/62/978717662.db2.gz	QKHKJHOQNFZKDG-UHFFFAOYSA-N	-1	0	269.366	3.745	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774117627	978746033	/nfs/dbraw/zinc/74/60/33/978746033.db2.gz	YCWWPVTXIGZLGN-HJWRWDBZSA-N	-1	0	266.296	3.589	20	30		CHEDRM
C[C@H]1c2ccccc2C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000809155908	978853844	/nfs/dbraw/zinc/85/38/44/978853844.db2.gz	HSHBEFXRUKZUQH-OKHBPPCESA-N	-1	0	278.307	3.768	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814690970	978873361	/nfs/dbraw/zinc/87/33/61/978873361.db2.gz	HHKGXJATMOSLFU-UWVGGRQHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
Cc1ccc(C)c(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814753775	978880797	/nfs/dbraw/zinc/88/07/97/978880797.db2.gz	ZJOCSAPYMZYTTO-STQMWFEESA-N	-1	0	274.364	3.592	20	30		CHEDRM
CC(N=Nc1ccccc1F)[C@H](C)CCCCC(=O)[O-]	ZINC000814789666	978885624	/nfs/dbraw/zinc/88/56/24/978885624.db2.gz	LWWFRQCIFOPYJL-LLVKDONJSA-N	-1	0	280.343	3.895	20	30		CHEDRM
O=C([O-])c1ccc(N=NCC2CCCCC2)cc1F	ZINC000835009834	979243896	/nfs/dbraw/zinc/24/38/96/979243896.db2.gz	FAEJKBSEBYYTQA-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
C[C@H]1CC(C)(C)CC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413993	979467140	/nfs/dbraw/zinc/46/71/40/979467140.db2.gz	HBGIIOPVJYQFDE-NSHDSACASA-N	-1	0	274.364	3.538	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1cccc(C(=O)[O-])c1F	ZINC001592822236	979525459	/nfs/dbraw/zinc/52/54/59/979525459.db2.gz	ILOPSAOMIXDZIY-UHFFFAOYSA-N	-1	0	298.383	3.843	20	30		CHEDRM
C[C@@H](Cc1ccc(NCC(C)(C)CCC#N)cc1)C(=O)[O-]	ZINC001592877084	979743265	/nfs/dbraw/zinc/74/32/65/979743265.db2.gz	IVMZNWCCWGSKSJ-ZDUSSCGKSA-N	-1	0	288.391	3.692	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000899855181	980233563	/nfs/dbraw/zinc/23/35/63/980233563.db2.gz	TVEUVAZRKLTVTH-KGLIPLIRSA-N	-1	0	287.359	3.549	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccs2)s1	ZINC000430613063	1118621146	/nfs/dbraw/zinc/62/11/46/1118621146.db2.gz	UJGXELXCPCCANY-VIFPVBQESA-N	-1	0	290.413	3.992	20	30		CHEDRM
CCCC[C@@H](SCc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001595656781	982056292	/nfs/dbraw/zinc/05/62/92/982056292.db2.gz	ASQRTCWIYYZHOO-CQSZACIVSA-N	-1	0	277.389	3.629	20	30		CHEDRM
CCCCCCCCC(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC001595705280	982283549	/nfs/dbraw/zinc/28/35/49/982283549.db2.gz	UGKGBHUVLGAENM-UHFFFAOYSA-N	-1	0	295.379	3.653	20	30		CHEDRM
CC[C@H](C)[C@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001594928313	982535495	/nfs/dbraw/zinc/53/54/95/982535495.db2.gz	GIXAXCLRIHXGPV-UFBFGSQYSA-N	-1	0	283.780	3.803	20	30		CHEDRM
CC[C@@H](C)[C@@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001594929489	982548482	/nfs/dbraw/zinc/54/84/82/982548482.db2.gz	SPIOSWBDWBWSTL-PRHODGIISA-N	-1	0	283.780	3.803	20	30		CHEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001588537359	983599423	/nfs/dbraw/zinc/59/94/23/983599423.db2.gz	NMKNJUXUBQJYQP-GJZGRUSLSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C1CCC(C(=O)Nc2sc(CC)cc2C(=O)[O-])CC1	ZINC001588650035	983771685	/nfs/dbraw/zinc/77/16/85/983771685.db2.gz	UDPJKOBVZGGGGE-UHFFFAOYSA-N	-1	0	293.388	3.694	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-]	ZINC001588691142	983878388	/nfs/dbraw/zinc/87/83/88/983878388.db2.gz	SGSBLGDJCBZVDU-MRVPVSSYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=CC[C@H](SCc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC001588758808	984108209	/nfs/dbraw/zinc/10/82/09/984108209.db2.gz	JTHMFXNVZJETOM-LBPRGKRZSA-N	-1	0	286.780	3.611	20	30		CHEDRM
C=CC[C@H](Sc1cccc(Br)c1)C(=O)[O-]	ZINC001588758998	984108599	/nfs/dbraw/zinc/10/85/99/984108599.db2.gz	NFPYSTOVXVCKBY-JTQLQIEISA-N	-1	0	287.178	3.571	20	30		CHEDRM
C=CC[C@H]1CC[C@@H](Nc2cc(COC)cc(C(=O)[O-])c2)C1	ZINC001588770557	984134590	/nfs/dbraw/zinc/13/45/90/984134590.db2.gz	ASIXOPSQMHHLLD-SWLSCSKDSA-N	-1	0	289.375	3.688	20	30		CHEDRM
C=CC[C@@H]1CC[C@H](Nc2cc(COC)cc(C(=O)[O-])c2)C1	ZINC001588770553	984134594	/nfs/dbraw/zinc/13/45/94/984134594.db2.gz	ASIXOPSQMHHLLD-DOMZBBRYSA-N	-1	0	289.375	3.688	20	30		CHEDRM
C=CC[C@H]1CC[C@H](Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC001588770637	984135112	/nfs/dbraw/zinc/13/51/12/984135112.db2.gz	BRHPDTLLOAODCH-AAEUAGOBSA-N	-1	0	275.348	3.550	20	30		CHEDRM
C=CCC[C@H](CC)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588777846	984158459	/nfs/dbraw/zinc/15/84/59/984158459.db2.gz	MYHYYNJWJFHLKO-AWEZNQCLSA-N	-1	0	277.364	3.688	20	30		CHEDRM
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(=O)[O-]	ZINC001588886580	984472936	/nfs/dbraw/zinc/47/29/36/984472936.db2.gz	MYICKVMGVMFOHM-LBPRGKRZSA-N	-1	0	289.375	3.588	20	30		CHEDRM
CC#CCCCC(=O)Oc1cc2ccccc2cc1C(=O)[O-]	ZINC001588926971	984595849	/nfs/dbraw/zinc/59/58/49/984595849.db2.gz	GRXCMGRNHQVIQR-UHFFFAOYSA-N	-1	0	296.322	3.637	20	30		CHEDRM
CS[C@H]1CCCC(N=Nc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001599788889	987972899	/nfs/dbraw/zinc/97/28/99/987972899.db2.gz	JBJNRZATRTYZQI-NSHDSACASA-N	-1	0	296.367	3.597	20	30		CHEDRM
C[C@@H](Nc1cccc(CCC(=O)[O-])c1)c1cccc(C#N)c1	ZINC001593365654	995042623	/nfs/dbraw/zinc/04/26/23/995042623.db2.gz	DVOFCNOVHFDHMR-CYBMUJFWSA-N	-1	0	294.354	3.749	20	30		CHEDRM
C[C@H](Sc1nc(C(=O)[O-])cs1)c1cccc(C#N)c1	ZINC001593678947	996096315	/nfs/dbraw/zinc/09/63/15/996096315.db2.gz	CMLGEUZJIMOUQR-QMMMGPOBSA-N	-1	0	290.369	3.566	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)cc1Cl	ZINC001174806724	1121054598	/nfs/dbraw/zinc/05/45/98/1121054598.db2.gz	CUUXMGJAXFNISV-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])=NN1CCCC[C@@H]1C	ZINC000853381811	1123437970	/nfs/dbraw/zinc/43/79/70/1123437970.db2.gz	MIUMLRQXJBFANY-AWEZNQCLSA-N	-1	0	268.401	3.662	20	30		CHEDRM
CC[C@H](C)CCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000834915235	1131732576	/nfs/dbraw/zinc/73/25/76/1131732576.db2.gz	HJUWHYIGOPXSHA-VIFPVBQESA-N	-1	0	268.744	3.872	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc[n-]c(=O)c1Cl	ZINC001230019130	1132145879	/nfs/dbraw/zinc/14/58/79/1132145879.db2.gz	XZKAERCUAKNYJU-DCAQKATOSA-N	-1	0	282.771	3.595	20	30		CHEDRM
Cc1cc(Nc2scc([O-])c2C#N)cc(Cl)c1O	ZINC001216084780	1134772057	/nfs/dbraw/zinc/77/20/57/1134772057.db2.gz	BXIQBQNLIIXIQG-UHFFFAOYSA-N	-1	0	280.736	3.736	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cs1	ZINC001211962733	1125527903	/nfs/dbraw/zinc/52/79/03/1125527903.db2.gz	OCAZMOKHXAOHEP-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211964955	1125531325	/nfs/dbraw/zinc/53/13/25/1125531325.db2.gz	GWQNXEFNAXLUSB-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
O=C(/C=C\c1ccc2ncccc2c1)c1ccc(O)cc1[O-]	ZINC000757468901	1125755464	/nfs/dbraw/zinc/75/54/64/1125755464.db2.gz	ZJGBXBUGMSELNV-YWEYNIOJSA-N	-1	0	291.306	3.542	20	30		CHEDRM
O=C(/C=C/c1ccc(Cl)nc1)c1cc(F)cc(F)c1[O-]	ZINC000757476872	1125774520	/nfs/dbraw/zinc/77/45/20/1125774520.db2.gz	VKADUYIJCFVYLS-HNQUOIGGSA-N	-1	0	295.672	3.615	20	30		CHEDRM
Cc1ncsc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119260430	1129847575	/nfs/dbraw/zinc/84/75/75/1129847575.db2.gz	DIBFQYYXHZOHOY-SNAWJCMRSA-N	-1	0	279.748	3.707	20	30		CHEDRM
CCC[C@H](C)C(CC)N=Nc1ccc(C(=O)[O-])cc1	ZINC000748246146	1130224280	/nfs/dbraw/zinc/22/42/80/1130224280.db2.gz	KBKVCLZVALRMIN-NSHDSACASA-N	-1	0	262.353	3.999	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000592968240	1127363835	/nfs/dbraw/zinc/36/38/35/1127363835.db2.gz	JQWRSVUSGVFQFZ-LLVKDONJSA-N	-1	0	251.285	3.679	20	30		CHEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1nccc2ccccc21	ZINC000361540609	1127570793	/nfs/dbraw/zinc/57/07/93/1127570793.db2.gz	JRVCQASWYJSJKD-KRWDZBQOSA-N	-1	0	297.317	3.597	20	30		CHEDRM
Cc1occc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361527195	1127570014	/nfs/dbraw/zinc/57/00/14/1127570014.db2.gz	QUVKHPFGBVKQKI-OAHLLOKOSA-N	-1	0	276.295	3.626	20	30		CHEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1CCC1	ZINC000173915917	1127860079	/nfs/dbraw/zinc/86/00/79/1127860079.db2.gz	IMXKZVXMEHMBGG-AWEZNQCLSA-N	-1	0	294.354	3.558	20	30		CHEDRM
C=CCC[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC001120813248	1127882145	/nfs/dbraw/zinc/88/21/45/1127882145.db2.gz	AGONLRXXYNAXPH-NSHDSACASA-N	-1	0	297.757	3.756	20	30		CHEDRM
CCCOc1ccc(F)cc1Nc1scc([O-])c1C#N	ZINC001212198142	1128125565	/nfs/dbraw/zinc/12/55/65/1128125565.db2.gz	VTMZDQQIPFTMDE-UHFFFAOYSA-N	-1	0	292.335	3.997	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C(F)F)cc2C)n1	ZINC000626283480	1128170125	/nfs/dbraw/zinc/17/01/25/1128170125.db2.gz	XYYJWXKDNGLPOE-QMMMGPOBSA-N	-1	0	296.298	3.781	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]3CCCC[C@H]3C2)nc1	ZINC000763367843	1128416557	/nfs/dbraw/zinc/41/65/57/1128416557.db2.gz	GGCDUFRVALCBSX-RYUDHWBXSA-N	-1	0	287.363	3.538	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cc3ccccc3o2)c1	ZINC000915980002	1128400212	/nfs/dbraw/zinc/40/02/12/1128400212.db2.gz	WEGMVJLWNSDZOC-MFOYZWKCSA-N	-1	0	296.282	3.666	20	30		CHEDRM
CC(=NNc1ccc(C#N)cc1)c1cc(Cl)ccc1O	ZINC000915962690	1128400514	/nfs/dbraw/zinc/40/05/14/1128400514.db2.gz	PEBGQWXTYXLEER-UHFFFAOYSA-N	-1	0	285.734	3.753	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1C	ZINC000916240678	1128412168	/nfs/dbraw/zinc/41/21/68/1128412168.db2.gz	KHGMILHQCKAPIG-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C)o1	ZINC000916259306	1128412432	/nfs/dbraw/zinc/41/24/32/1128412432.db2.gz	DBSGMLVUEUSSHU-UHFFFAOYSA-N	-1	0	292.722	3.776	20	30		CHEDRM
CCc1cc(C([O-])=C(C#N)c2nc(C)cs2)oc1CC	ZINC000128570772	1128503255	/nfs/dbraw/zinc/50/32/55/1128503255.db2.gz	QYMAJJBFHYGWIR-NSHDSACASA-N	-1	0	288.372	3.659	20	30		CHEDRM
Cc1cc(C#N)cnc1-c1ccc(C(=O)[O-])c(C)c1Cl	ZINC001236109382	1128561123	/nfs/dbraw/zinc/56/11/23/1128561123.db2.gz	VCOMGZSSQNACKN-UHFFFAOYSA-N	-1	0	286.718	3.589	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cccc(Cl)c2)c1	ZINC000920942402	1128695376	/nfs/dbraw/zinc/69/53/76/1128695376.db2.gz	CANXQIICJTZGOJ-SXGWCWSVSA-N	-1	0	290.706	3.573	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCc1ccco1	ZINC000920945283	1128695985	/nfs/dbraw/zinc/69/59/85/1128695985.db2.gz	UVDCFGMQDNEOKO-PXNMLYILSA-N	-1	0	284.142	3.954	20	30		CHEDRM
N#Cc1ccccc1/C=C/C(=O)Nc1cccc(Cl)c1[O-]	ZINC000179721909	1128755722	/nfs/dbraw/zinc/75/57/22/1128755722.db2.gz	UUVONMGNKMNEBB-CMDGGOBGSA-N	-1	0	298.729	3.569	20	30		CHEDRM
O=C([O-])c1ccc(N=NCC2CCCCCC2)cc1	ZINC000741836741	1118103881	/nfs/dbraw/zinc/10/38/81/1118103881.db2.gz	DUGLHMRYICJZDD-UHFFFAOYSA-N	-1	0	260.337	3.753	20	30		CHEDRM
N#CC(=C([O-])C=Cc1cccs1)c1nc2ccccc2o1	ZINC000255086479	1118193198	/nfs/dbraw/zinc/19/31/98/1118193198.db2.gz	ILDYJBDNNWGLKF-QDZRJHCZSA-N	-1	0	294.335	3.779	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(C)c2)c1	ZINC000308096759	1118562070	/nfs/dbraw/zinc/56/20/70/1118562070.db2.gz	WYGJJEIKKOJPPL-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ncccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430608516	1118611728	/nfs/dbraw/zinc/61/17/28/1118611728.db2.gz	DIARNDSOXVMEKH-GFCCVEGCSA-N	-1	0	299.399	3.634	20	30		CHEDRM
Cc1ccccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728438660	1118947814	/nfs/dbraw/zinc/94/78/14/1118947814.db2.gz	KKQCDCUMJIVNQR-VURMDHGXSA-N	-1	0	256.276	3.736	20	30		CHEDRM
CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000728438797	1118948038	/nfs/dbraw/zinc/94/80/38/1118948038.db2.gz	OUVZQABHIYDKDJ-UITAMQMPSA-N	-1	0	286.302	3.826	20	30		CHEDRM
Cc1oc(Nc2cc(C)cc(C(=O)[O-])c2)c(C#N)c1C	ZINC001211537720	1118982704	/nfs/dbraw/zinc/98/27/04/1118982704.db2.gz	YAQMMCDJVISURM-UHFFFAOYSA-N	-1	0	270.288	3.518	20	30		CHEDRM
Cc1cc(Nc2cc(C#N)ccc2Cl)cc(C(=O)[O-])c1	ZINC001211544727	1119077320	/nfs/dbraw/zinc/07/73/20/1119077320.db2.gz	JJBPIKPOSNSMSC-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(Nc2c(F)cc(F)cc2C#N)cc(C(=O)[O-])c1	ZINC001211547372	1119101338	/nfs/dbraw/zinc/10/13/38/1119101338.db2.gz	NFAAEPJIHUDCQM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCOc1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000782352056	1119151273	/nfs/dbraw/zinc/15/12/73/1119151273.db2.gz	PXCBDNFEYUJATB-HWKANZROSA-N	-1	0	292.331	3.888	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)o1	ZINC000588558362	1119259862	/nfs/dbraw/zinc/25/98/62/1119259862.db2.gz	SGOQMCOLYMBYAJ-SREVYHEPSA-N	-1	0	290.702	3.836	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccsc2)c1Cl	ZINC000588559823	1119261141	/nfs/dbraw/zinc/26/11/41/1119261141.db2.gz	LWSJDDBOFZGTEP-PLNGDYQASA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1sc(Nc2ccc(C)c(C(=O)[O-])c2)c(C#N)c1C	ZINC001211593969	1119396569	/nfs/dbraw/zinc/39/65/69/1119396569.db2.gz	GZFBIZWPAPUGJP-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
O=C(C=CC1=Cc2ccccc2OC1)c1sccc1[O-]	ZINC000588598929	1119529177	/nfs/dbraw/zinc/52/91/77/1119529177.db2.gz	KGBCQLHMSOLCME-WAYWQWQTSA-N	-1	0	284.336	3.669	20	30		CHEDRM
CCCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000159853990	1119534776	/nfs/dbraw/zinc/53/47/76/1119534776.db2.gz	GDBFOVWZAHNRQC-UHFFFAOYSA-N	-1	0	263.385	3.533	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)c(C#N)cc1F	ZINC001211622589	1119583042	/nfs/dbraw/zinc/58/30/42/1119583042.db2.gz	IGRGSBQQLVPGKF-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000620858035	1119624680	/nfs/dbraw/zinc/62/46/80/1119624680.db2.gz	SVCWECOFRWWMDY-UHFFFAOYSA-N	-1	0	285.746	3.659	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(F)c(CC#N)c1	ZINC001211628997	1119685033	/nfs/dbraw/zinc/68/50/33/1119685033.db2.gz	QTQWCVQCPHNUHC-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)oc1C	ZINC000647378423	1119709569	/nfs/dbraw/zinc/70/95/69/1119709569.db2.gz	YMVFVVQMXGMDAR-NSHDSACASA-N	-1	0	286.356	3.720	20	30		CHEDRM
N#Cc1sccc1-c1ccc2c(c1)CC[C@@]21C[C@@H]1C(=O)[O-]	ZINC000582133029	1119912289	/nfs/dbraw/zinc/91/22/89/1119912289.db2.gz	GQIQYAWSGPYBRT-RHSMWYFYSA-N	-1	0	295.363	3.575	20	30		CHEDRM
CSc1cc(C([O-])=C(C#N)c2nc(C)cs2)c(C)o1	ZINC000659010672	1119989355	/nfs/dbraw/zinc/98/93/55/1119989355.db2.gz	VRIOUPXCAHOOEL-JTQLQIEISA-N	-1	0	292.385	3.565	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2)c1Cl	ZINC000588558392	1120106336	/nfs/dbraw/zinc/10/63/36/1120106336.db2.gz	XDHUZMQVUSUWNW-KTKRTIGZSA-N	-1	0	286.714	3.934	20	30		CHEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccc(Cl)cc2)c1	ZINC000765822993	1120109046	/nfs/dbraw/zinc/10/90/46/1120109046.db2.gz	CPYQMPMHFFZHBY-AATRIKPKSA-N	-1	0	292.743	3.996	20	30		CHEDRM
O=C(/C=C/c1ccc(O)c(F)c1)c1ccc([O-])c(Cl)c1	ZINC000119262939	1120196391	/nfs/dbraw/zinc/19/63/91/1120196391.db2.gz	ZBUKDVLMTOHFMK-DAFODLJHSA-N	-1	0	292.693	3.786	20	30		CHEDRM
Cc1cc(C)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545784	1120283824	/nfs/dbraw/zinc/28/38/24/1120283824.db2.gz	MSXCVYGGMBLOAS-AWEZNQCLSA-N	-1	0	290.322	3.935	20	30		CHEDRM
Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1sccc1[O-]	ZINC000193147533	1120564597	/nfs/dbraw/zinc/56/45/97/1120564597.db2.gz	VTTBWNQKFXJLIB-HWKANZROSA-N	-1	0	289.312	3.566	20	30		CHEDRM
Cc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1CCC#N	ZINC000601939339	1120915407	/nfs/dbraw/zinc/91/54/07/1120915407.db2.gz	NOMVWEGXAHEMLN-SNVBAGLBSA-N	-1	0	296.157	3.636	20	30		CHEDRM
Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1C#N	ZINC001212515509	1121018686	/nfs/dbraw/zinc/01/86/86/1121018686.db2.gz	ZQYPKQPVNGEZGM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212514446	1121019072	/nfs/dbraw/zinc/01/90/72/1121019072.db2.gz	TVJUMPNXZAFOFI-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174809014	1121055905	/nfs/dbraw/zinc/05/59/05/1121055905.db2.gz	YJVFZUNOJZNIGI-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
N#Cc1cc(Nc2cccc3cccnc32)c([O-])cc1F	ZINC001174862293	1121072809	/nfs/dbraw/zinc/07/28/09/1121072809.db2.gz	WFBCPNPSXDVDEK-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(Cl)c1	ZINC001174982245	1121140107	/nfs/dbraw/zinc/14/01/07/1121140107.db2.gz	PGEWCAFTHJGJCJ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(Cl)c(C#N)c1	ZINC001174981493	1121140411	/nfs/dbraw/zinc/14/04/11/1121140411.db2.gz	DGHLSPCLKQQPRH-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(Cl)cc1C#N	ZINC001174982711	1121141192	/nfs/dbraw/zinc/14/11/92/1121141192.db2.gz	UTVSBRLDZFGJJK-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175160293	1121189654	/nfs/dbraw/zinc/18/96/54/1121189654.db2.gz	GODJJEZAWDQYPC-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1csc(Nc2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001175214959	1121226756	/nfs/dbraw/zinc/22/67/56/1121226756.db2.gz	CLBLETRBTGDCOZ-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
N#Cc1cc(Cl)ccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175219724	1121227801	/nfs/dbraw/zinc/22/78/01/1121227801.db2.gz	DSZNJNGKVPYSMN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C=C[C@@H](CCC)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223593794	1121266906	/nfs/dbraw/zinc/26/69/06/1121266906.db2.gz	OINQSNYZEWGFPA-AHAXBBEGSA-N	-1	0	253.729	3.847	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175316182	1121280362	/nfs/dbraw/zinc/28/03/62/1121280362.db2.gz	NYPGMJUZPXOWSC-UHFFFAOYSA-N	-1	0	297.701	3.525	20	30		CHEDRM
N#Cc1nc2ccc(Nc3cccc(C(=O)[O-])c3)cc2s1	ZINC001175331291	1121287017	/nfs/dbraw/zinc/28/70/17/1121287017.db2.gz	KLVYVDDOAQUSPY-UHFFFAOYSA-N	-1	0	295.323	3.610	20	30		CHEDRM
Cc1cc(C)c(Nc2csc(C(=O)[O-])c2)cc1C#N	ZINC001176443047	1121623496	/nfs/dbraw/zinc/62/34/96/1121623496.db2.gz	HJRYUMOPDOBSNG-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176586518	1121648262	/nfs/dbraw/zinc/64/82/62/1121648262.db2.gz	IBSWXBNVZMOSRM-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
C#Cc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176592917	1121650639	/nfs/dbraw/zinc/65/06/39/1121650639.db2.gz	PQNZHTBMUCJDEY-DHZHZOJOSA-N	-1	0	263.296	3.509	20	30		CHEDRM
C=CCn1cc(Nc2ccc(Cl)cc2[S-])cn1	ZINC001176548715	1121651140	/nfs/dbraw/zinc/65/11/40/1121651140.db2.gz	OTTNDDDDQXIZQL-UHFFFAOYSA-N	-1	0	265.769	3.755	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176669414	1121671286	/nfs/dbraw/zinc/67/12/86/1121671286.db2.gz	IAJVAHJXJBWKAN-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccc(C(=O)[O-])cc1	ZINC001176710553	1121689132	/nfs/dbraw/zinc/68/91/32/1121689132.db2.gz	SOAMFQLTKBDSDO-UHFFFAOYSA-N	-1	0	278.267	3.746	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc(C(=O)[O-])cc2)cc1C#N	ZINC001176714136	1121690143	/nfs/dbraw/zinc/69/01/43/1121690143.db2.gz	JIQNZMLNASNEPW-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1c(Cl)c(C#N)ccc1Nc1ccc(C(=O)[O-])cc1	ZINC001176715917	1121691780	/nfs/dbraw/zinc/69/17/80/1121691780.db2.gz	UOZBTHPJILYDQU-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000730590501	1121815215	/nfs/dbraw/zinc/81/52/15/1121815215.db2.gz	OGJFPKWPMVOZKI-PLNGDYQASA-N	-1	0	278.354	3.712	20	30		CHEDRM
C=C(C)CNC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953139	1121838517	/nfs/dbraw/zinc/83/85/17/1121838517.db2.gz	PKNCXUUOTCFPIB-UHFFFAOYSA-N	-1	0	291.445	3.555	20	30		CHEDRM
CC(C)NC(=S)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000730955049	1121838045	/nfs/dbraw/zinc/83/80/45/1121838045.db2.gz	SRTMLSNRYWNRER-NSHDSACASA-N	-1	0	293.461	3.633	20	30		CHEDRM
Cc1cccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1C	ZINC000731158897	1121852809	/nfs/dbraw/zinc/85/28/09/1121852809.db2.gz	LIHFSGXHBOMNTD-SREVYHEPSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CC(C)NC(=S)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000731322349	1121860236	/nfs/dbraw/zinc/86/02/36/1121860236.db2.gz	XXJUHCIHECBFGM-NSHDSACASA-N	-1	0	293.461	3.776	20	30		CHEDRM
CC(C)NC(=S)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000731322348	1121861221	/nfs/dbraw/zinc/86/12/21/1121861221.db2.gz	XXJUHCIHECBFGM-LLVKDONJSA-N	-1	0	293.461	3.776	20	30		CHEDRM
C=CCCC1(C(=O)Nc2cc(Cl)c([O-])cc2F)CC1	ZINC000345613489	1121897366	/nfs/dbraw/zinc/89/73/66/1121897366.db2.gz	AWRKDHJQUVBGNB-UHFFFAOYSA-N	-1	0	283.730	3.870	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2cc(Cl)c([O-])cc2F)c1	ZINC001250023840	1122085301	/nfs/dbraw/zinc/08/53/01/1122085301.db2.gz	DEYPWWRYSUHKDH-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cc(F)ccc2F)c1	ZINC000774117486	1122126152	/nfs/dbraw/zinc/12/61/52/1122126152.db2.gz	DBEUJXIHEFGFFU-QPJJXVBHSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CCCCCCCCS(=O)(=O)[N-]c1csc(C)n1	ZINC001188000977	1122450065	/nfs/dbraw/zinc/45/00/65/1122450065.db2.gz	BBRCXUSRFLWYLB-UHFFFAOYSA-N	-1	0	290.454	3.554	20	30		CHEDRM
CC(C)n1ccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001203170611	1122537055	/nfs/dbraw/zinc/53/70/55/1122537055.db2.gz	LOLLZDSAZZSHEE-UHFFFAOYSA-N	-1	0	259.284	3.529	20	30		CHEDRM
C=CC[C@H]1N(C(=O)c2c([O-])cccc2F)CCCC1(C)C	ZINC000436818539	1122584555	/nfs/dbraw/zinc/58/45/55/1122584555.db2.gz	VREQIAQGFAVNOP-CQSZACIVSA-N	-1	0	291.366	3.738	20	30		CHEDRM
Cc1coc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])c1C#N	ZINC001192313796	1122638473	/nfs/dbraw/zinc/63/84/73/1122638473.db2.gz	IRCQOCAIJAKGGD-UHFFFAOYSA-N	-1	0	298.342	3.715	20	30		CHEDRM
CCCc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000633898950	1129093247	/nfs/dbraw/zinc/09/32/47/1129093247.db2.gz	CHTFYRSNFCGDPQ-CYBMUJFWSA-N	-1	0	299.399	3.598	20	30		CHEDRM
CC(C)Nc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001201499842	1123112589	/nfs/dbraw/zinc/11/25/89/1123112589.db2.gz	QKOXZINVTWMAFE-UHFFFAOYSA-N	-1	0	285.322	3.967	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2c(F)cccc2F)s1	ZINC000007333371	1123248966	/nfs/dbraw/zinc/24/89/66/1123248966.db2.gz	WDAALBXNBOCQHD-SNAWJCMRSA-N	-1	0	294.278	3.621	20	30		CHEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H]2CCC[C@H]21	ZINC000853354269	1123436365	/nfs/dbraw/zinc/43/63/65/1123436365.db2.gz	BZCAZFWVTBDCJK-CMPLNLGQSA-N	-1	0	290.338	3.748	20	30		CHEDRM
Cc1noc(C2CC2)c1NC(=O)c1oc(C2CC2)nc1C	ZINC000329831940	1123655858	/nfs/dbraw/zinc/65/58/58/1123655858.db2.gz	TUVBYVUVUBAVQI-UHFFFAOYSA-N	-1	0	287.319	3.671	20	30		CHEDRM
CC[C@@H]1OCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840710618	1123715096	/nfs/dbraw/zinc/71/50/96/1123715096.db2.gz	KWKMOQLPAVBSEH-ZHIQDEJDSA-N	-1	0	288.174	3.685	20	30		CHEDRM
CC(C)[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])C(F)(F)F	ZINC000866348486	1124055922	/nfs/dbraw/zinc/05/59/22/1124055922.db2.gz	RZUVGPHHSKNXCO-ZANVPECISA-N	-1	0	286.297	3.501	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C1\Cc2ccccc2C1=O	ZINC000794927472	1124074192	/nfs/dbraw/zinc/07/41/92/1124074192.db2.gz	QVGZZXQSMTWPMY-OQLLNIDSSA-N	-1	0	292.334	3.824	20	30		CHEDRM
O=C([O-])c1ccc(-c2ccccc2CS)c(F)c1	ZINC001239262555	1131309221	/nfs/dbraw/zinc/30/92/21/1131309221.db2.gz	YNHSPZUNFGVHTH-UHFFFAOYSA-N	-1	0	262.305	3.621	20	30		CHEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239261082	1131307574	/nfs/dbraw/zinc/30/75/74/1131307574.db2.gz	HHCNOEMAOWESRG-UHFFFAOYSA-N	-1	0	280.258	3.544	20	30		CHEDRM
C=C(C)c1cncc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239257220	1131307962	/nfs/dbraw/zinc/30/79/62/1131307962.db2.gz	VZJIHFAAQKCSOL-UHFFFAOYSA-N	-1	0	257.264	3.619	20	30		CHEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])cc2F)c2cc[nH]c21	ZINC001239260974	1131307989	/nfs/dbraw/zinc/30/79/89/1131307989.db2.gz	FYIMRKNIXKPZLH-UHFFFAOYSA-N	-1	0	280.258	3.544	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2cc(F)c(C(=O)[O-])c(F)c2)[nH]1	ZINC001239352571	1131320904	/nfs/dbraw/zinc/32/09/04/1131320904.db2.gz	FEEXYHZPPBCHPZ-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
N#CCCc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001239345814	1131320561	/nfs/dbraw/zinc/32/05/61/1131320561.db2.gz	GOFHSUGGFHPQFV-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
N#CC1(c2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)cc2)CC1	ZINC001239353322	1131321178	/nfs/dbraw/zinc/32/11/78/1131321178.db2.gz	QOUOXTCHUHNNNF-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)oc1C	ZINC000532267798	1125245199	/nfs/dbraw/zinc/24/51/99/1125245199.db2.gz	FXBDONVBZKWHMQ-LBPRGKRZSA-N	-1	0	293.326	3.571	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccs2)n1	ZINC000177775306	1125280235	/nfs/dbraw/zinc/28/02/35/1125280235.db2.gz	YYKCPLGDUHSTCS-SECBINFHSA-N	-1	0	276.386	3.818	20	30		CHEDRM
CCc1cnc(/C=C\C(=O)c2ccc(C)cc2[O-])s1	ZINC000783710323	1125284450	/nfs/dbraw/zinc/28/44/50/1125284450.db2.gz	FPFHCQLLDFQXPX-SREVYHEPSA-N	-1	0	273.357	3.616	20	30		CHEDRM
COc1ccc(Nc2ccc([S-])c(OC)c2)c(C#N)c1	ZINC001212785360	1125297141	/nfs/dbraw/zinc/29/71/41/1125297141.db2.gz	PORSGJSFCMMVKH-UHFFFAOYSA-N	-1	0	286.356	3.608	20	30		CHEDRM
Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)cc2)n1	ZINC000041520432	1125433672	/nfs/dbraw/zinc/43/36/72/1125433672.db2.gz	APEAJXJFJYXAMB-NSHDSACASA-N	-1	0	276.748	3.595	20	30		CHEDRM
Cc1ccc2[nH]cc(C=NNc3cccc(C(=O)[O-])c3)c2c1	ZINC000735608503	1129352429	/nfs/dbraw/zinc/35/24/29/1129352429.db2.gz	CCMHYXFTIKHFMF-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
N#Cc1ccc2cc(-c3ccc(C(=O)[O-])s3)ccc2n1	ZINC001240847200	1129375878	/nfs/dbraw/zinc/37/58/78/1129375878.db2.gz	DKPCNDSVWOKJFD-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
CCN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](C)C#N	ZINC000091983350	1129376134	/nfs/dbraw/zinc/37/61/34/1129376134.db2.gz	NIDJREKFEHWEEX-SECBINFHSA-N	-1	0	287.190	3.681	20	30		CHEDRM
CCCCC(COC)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000737415732	1129428895	/nfs/dbraw/zinc/42/88/95/1129428895.db2.gz	GYQKOCZZQHTKED-UHFFFAOYSA-N	-1	0	298.770	3.643	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@@H]2C2CCCCC2)c1	ZINC000741465769	1129437055	/nfs/dbraw/zinc/43/70/55/1129437055.db2.gz	YFXDNYOPPKVKAA-SBSYXSKNSA-N	-1	0	288.347	3.688	20	30		CHEDRM
O=C1c2ccccc2O/C1=C/c1ccc([O-])c(Cl)c1	ZINC000742437222	1129479956	/nfs/dbraw/zinc/47/99/56/1129479956.db2.gz	SYZIXDDBJMMCQR-RIYZIHGNSA-N	-1	0	272.687	3.662	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000828212953	1131378838	/nfs/dbraw/zinc/37/88/38/1131378838.db2.gz	YSKNWCPCRZNABQ-SNVBAGLBSA-N	-1	0	295.766	3.513	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCC1CC1	ZINC000743044241	1129511969	/nfs/dbraw/zinc/51/19/69/1129511969.db2.gz	HMMLFHSDCKEYKR-VIZOYTHASA-N	-1	0	258.148	3.918	20	30		CHEDRM
N#CCCc1cccc(-c2cccc(C(=O)[O-])c2)c1	ZINC001241359845	1129524358	/nfs/dbraw/zinc/52/43/58/1129524358.db2.gz	UYAWYVPVLAXFHW-UHFFFAOYSA-N	-1	0	251.285	3.508	20	30		CHEDRM
CCCCCC[C@@H](C)NN=Cc1ccccc1C(=O)[O-]	ZINC000743451005	1129525416	/nfs/dbraw/zinc/52/54/16/1129525416.db2.gz	WTLLUKWAJZQSII-CYBMUJFWSA-N	-1	0	276.380	3.667	20	30		CHEDRM
C=CCC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1	ZINC000649357648	1129641159	/nfs/dbraw/zinc/64/11/59/1129641159.db2.gz	ROIWSPOTEFYPKN-UHFFFAOYSA-N	-1	0	293.750	3.723	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)ccc1C#N	ZINC000766491528	1129670407	/nfs/dbraw/zinc/67/04/07/1129670407.db2.gz	POMWZLCLUKLONW-HYXAFXHYSA-N	-1	0	297.335	3.523	20	30		CHEDRM
O=C(/C=C/c1ccc(Cl)nc1)c1ccc([O-])c(Cl)c1	ZINC000119276753	1129848025	/nfs/dbraw/zinc/84/80/25/1129848025.db2.gz	PRECFIJISLOLSY-DAFODLJHSA-N	-1	0	294.137	3.990	20	30		CHEDRM
C[C@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000768352559	1129853698	/nfs/dbraw/zinc/85/36/98/1129853698.db2.gz	OQIAPVPFVXIKJI-NWDGAFQWSA-N	-1	0	260.337	3.609	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC2CCC(F)(F)CC2)c1	ZINC000800721134	1129885833	/nfs/dbraw/zinc/88/58/33/1129885833.db2.gz	KETQYMVBTDZJAD-MFOYZWKCSA-N	-1	0	298.289	3.545	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCCF)cc1	ZINC000800803609	1129889331	/nfs/dbraw/zinc/88/93/31/1129889331.db2.gz	JEYQDAHXPBAACP-NSHDSACASA-N	-1	0	278.327	3.703	20	30		CHEDRM
CC(C)n1cc(-c2ccc(C3CC3)c(C#N)c2)c(C(=O)[O-])n1	ZINC000901079716	1129909082	/nfs/dbraw/zinc/90/90/82/1129909082.db2.gz	KCTGNMXHYDPIBW-UHFFFAOYSA-N	-1	0	295.342	3.578	20	30		CHEDRM
O=C(/C=C/c1cccc2nccn21)c1cc(Cl)ccc1[O-]	ZINC000769610457	1129919127	/nfs/dbraw/zinc/91/91/27/1129919127.db2.gz	QHDDCFOJUBDKQB-FNORWQNLSA-N	-1	0	298.729	3.589	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2c2ccccc2)cc1	ZINC000769764716	1129922595	/nfs/dbraw/zinc/92/25/95/1129922595.db2.gz	CCDVOFZSNFANFX-OAHLLOKOSA-N	-1	0	280.327	3.730	20	30		CHEDRM
CC(=NNc1ccc(F)cc1F)c1sccc1[O-]	ZINC000769766633	1129922752	/nfs/dbraw/zinc/92/27/52/1129922752.db2.gz	PEPSEDQEVNCPMH-UHFFFAOYSA-N	-1	0	268.288	3.568	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/C=C/c2ccccc2)s1	ZINC000746683866	1130150735	/nfs/dbraw/zinc/15/07/35/1130150735.db2.gz	HMSDEDVGIBUURB-KBXRYBNXSA-N	-1	0	284.336	3.899	20	30		CHEDRM
CC(=NOCc1ccccc1)c1cc(C(=O)[O-])ccc1C	ZINC000788422149	1130184557	/nfs/dbraw/zinc/18/45/57/1130184557.db2.gz	NJZYGHCVGBVRBS-UHFFFAOYSA-N	-1	0	283.327	3.634	20	30		CHEDRM
O=C([O-])[C@@H]1CCC(=NOCc2ccccc2)c2ccccc21	ZINC000788976362	1130224296	/nfs/dbraw/zinc/22/42/96/1130224296.db2.gz	XLSKZEDVOQHPAP-MRXNPFEDSA-N	-1	0	295.338	3.570	20	30		CHEDRM
C=CCOc1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1	ZINC000780188112	1130233996	/nfs/dbraw/zinc/23/39/96/1130233996.db2.gz	LABGYGFPMWZOMJ-XNTDXEJSSA-N	-1	0	292.334	3.779	20	30		CHEDRM
CC(C)=CCCC(C)=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000749156686	1130269357	/nfs/dbraw/zinc/26/93/57/1130269357.db2.gz	KNNUXAWRWHIDOD-UHFFFAOYSA-N	-1	0	292.330	3.556	20	30		CHEDRM
N#Cc1cnc(-c2cc(F)ccc2[O-])c2sccc21	ZINC001240696237	1130421926	/nfs/dbraw/zinc/42/19/26/1130421926.db2.gz	JCGFABFQAVXLIF-UHFFFAOYSA-N	-1	0	270.288	3.680	20	30		CHEDRM
COc1cc(-c2cc(C)c(C#N)c(C)c2)ccc1C(=O)[O-]	ZINC001240742491	1130450515	/nfs/dbraw/zinc/45/05/15/1130450515.db2.gz	GZJYWPIAPBZZAD-UHFFFAOYSA-N	-1	0	281.311	3.549	20	30		CHEDRM
COc1cc(-c2ccc(C(C)(C)C#N)cc2)ccc1C(=O)[O-]	ZINC001240743168	1130450865	/nfs/dbraw/zinc/45/08/65/1130450865.db2.gz	GRUFXPPQDIABDM-UHFFFAOYSA-N	-1	0	295.338	3.862	20	30		CHEDRM
COc1cc(-c2ccc([C@@H](C)C#N)cc2)ccc1C(=O)[O-]	ZINC001240744641	1130451368	/nfs/dbraw/zinc/45/13/68/1130451368.db2.gz	JNKXPKISBXEDRI-NSHDSACASA-N	-1	0	281.311	3.687	20	30		CHEDRM
N#CCOc1ccccc1Nc1ccc([S-])cc1	ZINC001212600589	1130463479	/nfs/dbraw/zinc/46/34/79/1130463479.db2.gz	BPOQTFNHTKWWGF-UHFFFAOYSA-N	-1	0	256.330	3.621	20	30		CHEDRM
N#Cc1ccc(CNc2ccc3oc(=S)[n-]c3c2)s1	ZINC001170202915	1130463608	/nfs/dbraw/zinc/46/36/08/1130463608.db2.gz	IJKZKEXXFWPRNE-UHFFFAOYSA-N	-1	0	287.369	3.662	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2ccc([O-])c(F)c2)n1	ZINC001240782878	1130468810	/nfs/dbraw/zinc/46/88/10/1130468810.db2.gz	ICROGYJAUZTMOR-UHFFFAOYSA-N	-1	0	256.280	3.588	20	30		CHEDRM
N#Cc1ccc2c(c1)nccc2-c1ccc(C(=O)[O-])s1	ZINC001240847449	1130492342	/nfs/dbraw/zinc/49/23/42/1130492342.db2.gz	BPCKHOBOEFHGEZ-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CC3(CCC3)C2)ccc1Cl	ZINC000772831492	1130538501	/nfs/dbraw/zinc/53/85/01/1130538501.db2.gz	VWKMXNUCPQHHTA-UHFFFAOYSA-N	-1	0	278.739	3.770	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc2ccccc2cc1C#N	ZINC001240999852	1130558837	/nfs/dbraw/zinc/55/88/37/1130558837.db2.gz	XBSSUSILLFSCPG-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(F)c(C#N)c(F)c1	ZINC001241001532	1130559097	/nfs/dbraw/zinc/55/90/97/1130559097.db2.gz	CQNMKPLXYQDWTE-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc2[nH]c(C#N)cc21	ZINC001241002085	1130559252	/nfs/dbraw/zinc/55/92/52/1130559252.db2.gz	QCIGGORKTMAWDV-UHFFFAOYSA-N	-1	0	276.295	3.713	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2nc(Cl)cs2)c([O-])c1	ZINC000759085688	1130635866	/nfs/dbraw/zinc/63/58/66/1130635866.db2.gz	WUACYUHRRRGDCB-SNAWJCMRSA-N	-1	0	279.748	3.707	20	30		CHEDRM
O=C(/C=C\c1cccc(Cl)c1F)c1ccc(O)cc1[O-]	ZINC000759653075	1130667281	/nfs/dbraw/zinc/66/72/81/1130667281.db2.gz	OGGWGVRCWCXJEB-DAXSKMNVSA-N	-1	0	292.693	3.786	20	30		CHEDRM
[O-]N=Cc1ccccc1O[C@H](c1cccnc1)C(F)(F)F	ZINC001234820090	1130678780	/nfs/dbraw/zinc/67/87/80/1130678780.db2.gz	RSWBDZISCPEZAH-CYBMUJFWSA-N	-1	0	296.248	3.572	20	30		CHEDRM
C=C[C@H](CCCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822636	1130678902	/nfs/dbraw/zinc/67/89/02/1130678902.db2.gz	YDDHLQGKRAVNOL-CYBMUJFWSA-N	-1	0	288.343	3.931	20	30		CHEDRM
C[C@H](Oc1ccccc1C=N[O-])c1cccc([N+](=O)[O-])c1	ZINC001234819722	1130678960	/nfs/dbraw/zinc/67/89/60/1130678960.db2.gz	OFABJOGDVDFYDC-NSHDSACASA-N	-1	0	286.287	3.543	20	30		CHEDRM
N#CCCc1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235459409	1130746800	/nfs/dbraw/zinc/74/68/00/1130746800.db2.gz	QAGSDROGCIBLBE-DHZHZOJOSA-N	-1	0	277.323	3.908	20	30		CHEDRM
N#CCCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001235459873	1130747324	/nfs/dbraw/zinc/74/73/24/1130747324.db2.gz	VQTRZKJWHKSPEZ-KPKJPENVSA-N	-1	0	277.323	3.908	20	30		CHEDRM
N#CCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1F	ZINC001235458973	1130747986	/nfs/dbraw/zinc/74/79/86/1130747986.db2.gz	MRJUQAQOFKABEZ-FPYGCLRLSA-N	-1	0	281.286	3.657	20	30		CHEDRM
Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1CC#N	ZINC001235531695	1130752961	/nfs/dbraw/zinc/75/29/61/1130752961.db2.gz	LDRCACWYXPVZTP-RUDMXATFSA-N	-1	0	277.323	3.826	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2cc(Cl)cs2)cc1	ZINC000782098414	1130754328	/nfs/dbraw/zinc/75/43/28/1130754328.db2.gz	SJXQLOXAWIQNKN-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)s1	ZINC000782199173	1130762335	/nfs/dbraw/zinc/76/23/35/1130762335.db2.gz	CMJLQRZPXNRVNF-ONEGZZNKSA-N	-1	0	278.354	3.712	20	30		CHEDRM
N#CCc1cc(F)cc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235999997	1130826694	/nfs/dbraw/zinc/82/66/94/1130826694.db2.gz	DDIWASZFDJAJFE-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
N#CCCc1cccc(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236061271	1130843085	/nfs/dbraw/zinc/84/30/85/1130843085.db2.gz	UKSYLQYUJVVBPI-UHFFFAOYSA-N	-1	0	251.285	3.508	20	30		CHEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000814680960	1130893715	/nfs/dbraw/zinc/89/37/15/1130893715.db2.gz	QESQHRZECWTVGV-LBPRGKRZSA-N	-1	0	274.364	3.999	20	30		CHEDRM
CCC(CC)(CC)CN=Nc1ccc(C(=O)[O-])cc1	ZINC000814680747	1130894054	/nfs/dbraw/zinc/89/40/54/1130894054.db2.gz	GRJFKBGTERFAMB-UHFFFAOYSA-N	-1	0	262.353	3.999	20	30		CHEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc2ccccc2n1	ZINC000814697474	1130896591	/nfs/dbraw/zinc/89/65/91/1130896591.db2.gz	PTVQEYBXZMUHQO-YPMHNXCESA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(F)cc1	ZINC000814693559	1130902050	/nfs/dbraw/zinc/90/20/50/1130902050.db2.gz	XWHQWYCSYJZLJD-UHFFFAOYSA-N	-1	0	286.306	3.587	20	30		CHEDRM
CC(N=Nc1ccccc1F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814790387	1130910814	/nfs/dbraw/zinc/91/08/14/1130910814.db2.gz	SNJBSYQFBODFFP-NEPJUHHUSA-N	-1	0	292.354	3.751	20	30		CHEDRM
Cc1c(Cl)cccc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814802197	1130913009	/nfs/dbraw/zinc/91/30/09/1130913009.db2.gz	VTUAPPDTACSIOW-GXSJLCMTSA-N	-1	0	294.782	3.937	20	30		CHEDRM
CC[C@@H](C)CON=C(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814939249	1130940994	/nfs/dbraw/zinc/94/09/94/1130940994.db2.gz	KCUZDQAJPFCDAO-NEPJUHHUSA-N	-1	0	257.374	3.706	20	30		CHEDRM
COc1ccc(C#N)cc1-c1ccc([S-])c(F)c1	ZINC001236547353	1130971580	/nfs/dbraw/zinc/97/15/80/1130971580.db2.gz	VMPVCTQKMJFJNQ-UHFFFAOYSA-N	-1	0	259.305	3.662	20	30		CHEDRM
N#C[C@@H](OC(=O)c1cc([S-])ccc1F)C1CCCCC1	ZINC000798724328	1131048618	/nfs/dbraw/zinc/04/86/18/1131048618.db2.gz	KAUGOEIYKROJAB-CQSZACIVSA-N	-1	0	293.363	3.744	20	30		CHEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccccc1Cl	ZINC001117739906	1131194924	/nfs/dbraw/zinc/19/49/24/1131194924.db2.gz	TWSKOIXPHWQZCU-VHSXEESVSA-N	-1	0	280.755	3.629	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CC12CC2	ZINC000818991469	1131224659	/nfs/dbraw/zinc/22/46/59/1131224659.db2.gz	DNXQQZNHNBDAQS-WRCICQQISA-N	-1	0	256.132	3.670	20	30		CHEDRM
Cc1c(N=NC2CCC(C(F)F)CC2)cccc1C(=O)[O-]	ZINC000844624054	1131587317	/nfs/dbraw/zinc/58/73/17/1131587317.db2.gz	TXCACGOOXYEFCO-UHFFFAOYSA-N	-1	0	296.317	3.916	20	30		CHEDRM
Cc1c(N=NC2=CC(C)CCC2)cccc1C(=O)[O-]	ZINC000844625223	1131587327	/nfs/dbraw/zinc/58/73/27/1131587327.db2.gz	WPDAQRJNSOCFGE-UHFFFAOYSA-N	-1	0	258.321	3.591	20	30		CHEDRM
Cc1c(N=NC2CS[C@H](C(C)C)C2)cccc1C(=O)[O-]	ZINC000844624090	1131587367	/nfs/dbraw/zinc/58/73/67/1131587367.db2.gz	UPHQZARGDWXEAD-AWEZNQCLSA-N	-1	0	292.404	3.623	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc(C(C)C)cc1	ZINC000846551136	1131712865	/nfs/dbraw/zinc/71/28/65/1131712865.db2.gz	STLZAYQIIWEOKP-LBPRGKRZSA-N	-1	0	279.405	3.524	20	30		CHEDRM
C#CCCCCCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009615	1131753717	/nfs/dbraw/zinc/75/37/17/1131753717.db2.gz	WHNNNDJDVMRGSO-UHFFFAOYSA-N	-1	0	276.311	3.505	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H](C3CC3)C2)cc1F	ZINC000835009687	1131753857	/nfs/dbraw/zinc/75/38/57/1131753857.db2.gz	AWZBGSCNSHVRIK-NSHDSACASA-N	-1	0	290.338	3.892	20	30		CHEDRM
C[C@@]12C[C@@H]1CCCC2N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009157	1131754208	/nfs/dbraw/zinc/75/42/08/1131754208.db2.gz	OVIQSPBLKXKWLX-BJOHPYRUSA-N	-1	0	276.311	3.502	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012732	1131756833	/nfs/dbraw/zinc/75/68/33/1131756833.db2.gz	SVDDACMRAGMZIP-UHFFFAOYSA-N	-1	0	298.383	3.843	20	30		CHEDRM
CC(C)c1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001148322559	1131850732	/nfs/dbraw/zinc/85/07/32/1131850732.db2.gz	ITUUIPNOWNLZKA-UHFFFAOYSA-N	-1	0	298.317	3.779	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])ccc1C#N	ZINC000773150143	1131962958	/nfs/dbraw/zinc/96/29/58/1131962958.db2.gz	PFVPSBNUKVMNOT-HWKANZROSA-N	-1	0	269.325	3.530	20	30		CHEDRM
C=C[C@H](CCCCCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973205	1131989972	/nfs/dbraw/zinc/98/99/72/1131989972.db2.gz	HYKSGDHLRFVPPS-GFCCVEGCSA-N	-1	0	295.335	3.910	20	30		CHEDRM
CO[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840708416	1132272962	/nfs/dbraw/zinc/27/29/62/1132272962.db2.gz	FYCBEFUGHFKEHC-OPMRDKFTSA-N	-1	0	288.174	3.685	20	30		CHEDRM
CC(C)c1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001153000475	1132589890	/nfs/dbraw/zinc/58/98/90/1132589890.db2.gz	UJDOKWJNHSOAFH-UHFFFAOYSA-N	-1	0	280.327	3.640	20	30		CHEDRM
C=CCC[C@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835507	1132687754	/nfs/dbraw/zinc/68/77/54/1132687754.db2.gz	ZRNWTAZGRLBSSK-LBPRGKRZSA-N	-1	0	274.316	3.622	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C#N	ZINC001233919375	1132698089	/nfs/dbraw/zinc/69/80/89/1132698089.db2.gz	LIVMFIYWOSQUFV-KYOSRNDESA-N	-1	0	288.391	3.807	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(N2CCCC2)c1	ZINC001174487214	1132859729	/nfs/dbraw/zinc/85/97/29/1132859729.db2.gz	MSTSWXHHHLOCMZ-UHFFFAOYSA-N	-1	0	285.372	3.669	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)C1c2ccccc2Oc2ccccc21	ZINC001164414589	1133218504	/nfs/dbraw/zinc/21/85/04/1133218504.db2.gz	RTEDSUMDLDGOFG-GFCCVEGCSA-N	-1	0	295.338	3.547	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001203333630	1133316172	/nfs/dbraw/zinc/31/61/72/1133316172.db2.gz	GQTVVEIAVHORAG-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CCc1cccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1	ZINC001204656454	1133472399	/nfs/dbraw/zinc/47/23/99/1133472399.db2.gz	LNDWTQCPVOTVPF-UHFFFAOYSA-N	-1	0	293.346	3.501	20	30		CHEDRM
N#CCCc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001205088573	1133528020	/nfs/dbraw/zinc/52/80/20/1133528020.db2.gz	LBSXQCLIUJNLNF-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3cc(F)c(F)c(C(=O)[O-])c3)cc12	ZINC001206038558	1133646279	/nfs/dbraw/zinc/64/62/79/1133646279.db2.gz	FTPZOLCAEBJXGL-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
O=C([O-])c1cc(-c2cccc(CS)c2)cs1	ZINC001206298975	1133686174	/nfs/dbraw/zinc/68/61/74/1133686174.db2.gz	WVZUTDAONGIUGH-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2cc(F)c([O-])cc2F)n1	ZINC001206755963	1133742297	/nfs/dbraw/zinc/74/22/97/1133742297.db2.gz	SAYXKYLBRPBKEO-UHFFFAOYSA-N	-1	0	274.270	3.727	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)cc2[S-])cn1	ZINC001209615553	1134043262	/nfs/dbraw/zinc/04/32/62/1134043262.db2.gz	GUTLGOCVJAHTAF-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
CC(C)Oc1ccc(Nc2scc([O-])c2C#N)c(F)c1	ZINC001209834587	1134075226	/nfs/dbraw/zinc/07/52/26/1134075226.db2.gz	JMHLSDAUXTXHLE-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(F)cc1C#N	ZINC001210007391	1134121555	/nfs/dbraw/zinc/12/15/55/1134121555.db2.gz	NBRJUVTUKKCGKB-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Nc2cccc(C(=O)[O-])c2F)ccc1Cl	ZINC001210242769	1134177560	/nfs/dbraw/zinc/17/75/60/1134177560.db2.gz	QWPJIFAPMHKBSQ-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1cc(Nc2cccc(F)c2Cl)c([O-])cc1F	ZINC001210543179	1134243460	/nfs/dbraw/zinc/24/34/60/1134243460.db2.gz	CRVGBNMRZZFOAY-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
COc1cc(Nc2ccc(F)cc2C#N)ccc1[S-]	ZINC001210556743	1134247969	/nfs/dbraw/zinc/24/79/69/1134247969.db2.gz	ZXLUGZUIJIJETK-UHFFFAOYSA-N	-1	0	274.320	3.738	20	30		CHEDRM
CCc1cc(OC)ccc1Nc1scc([O-])c1C#N	ZINC001210715385	1134280983	/nfs/dbraw/zinc/28/09/83/1134280983.db2.gz	MFRAUVAESNJXND-UHFFFAOYSA-N	-1	0	274.345	3.640	20	30		CHEDRM
C[C@@H]1CC(=O)C=C(Nc2ccc(Cl)cc2[S-])C1	ZINC001210773280	1134293652	/nfs/dbraw/zinc/29/36/52/1134293652.db2.gz	UVIVISXXQLBHCQ-QMMMGPOBSA-N	-1	0	267.781	3.924	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(OC2CC2)c1	ZINC001210860495	1134315739	/nfs/dbraw/zinc/31/57/39/1134315739.db2.gz	OQLQVFPLYCCZFC-UHFFFAOYSA-N	-1	0	272.329	3.610	20	30		CHEDRM
N#Cc1cccnc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210923239	1134327698	/nfs/dbraw/zinc/32/76/98/1134327698.db2.gz	ONRJWBXUOFWFSA-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
C#Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)ccc1F	ZINC001213629538	1134471266	/nfs/dbraw/zinc/47/12/66/1134471266.db2.gz	DUFWRVKKWNKEFK-UHFFFAOYSA-N	-1	0	283.302	3.568	20	30		CHEDRM
N#CCc1cc(Nc2ccc(CCC(=O)[O-])cc2)ccc1F	ZINC001213637879	1134472217	/nfs/dbraw/zinc/47/22/17/1134472217.db2.gz	MRIHYXVYUSBJJZ-UHFFFAOYSA-N	-1	0	298.317	3.653	20	30		CHEDRM
COc1cccc(C2CC2)c1Nc1scc([O-])c1C#N	ZINC001213813518	1134487044	/nfs/dbraw/zinc/48/70/44/1134487044.db2.gz	JUDKTPWTSJBYGC-UHFFFAOYSA-N	-1	0	286.356	3.955	20	30		CHEDRM
COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1C#N	ZINC001214488952	1134544220	/nfs/dbraw/zinc/54/42/20/1134544220.db2.gz	QZMJCXPJPGBYDO-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
Cc1cnc(Nc2c(Cl)ccc([O-])c2F)c(C#N)c1	ZINC001214557562	1134550838	/nfs/dbraw/zinc/55/08/38/1134550838.db2.gz	BOBSJYJXQZRWBO-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
COc1cc(Nc2cc(C#N)ccc2F)ccc1[S-]	ZINC001214604243	1134556668	/nfs/dbraw/zinc/55/66/68/1134556668.db2.gz	STKHQPUQFPLYJK-UHFFFAOYSA-N	-1	0	274.320	3.738	20	30		CHEDRM
N#CCc1cccc(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214804764	1134576642	/nfs/dbraw/zinc/57/66/42/1134576642.db2.gz	YQCUICAGVJDVNB-UHFFFAOYSA-N	-1	0	276.698	3.994	20	30		CHEDRM
Cc1cc(-c2noc(-c3ccccc3[S-])n2)ccc1C#N	ZINC001215307807	1134616698	/nfs/dbraw/zinc/61/66/98/1134616698.db2.gz	JDVDMWMGULEXHG-UHFFFAOYSA-N	-1	0	293.351	3.872	20	30		CHEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])c(Cl)c1	ZINC001215391729	1134622744	/nfs/dbraw/zinc/62/27/44/1134622744.db2.gz	IYJYOWCNIGSOSI-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
COc1cc(Nc2scc([O-])c2C#N)cc(C)c1F	ZINC001215703848	1134662106	/nfs/dbraw/zinc/66/21/06/1134662106.db2.gz	LFXGWAATLBPADK-UHFFFAOYSA-N	-1	0	278.308	3.525	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)c2c[nH]nc21	ZINC001216055131	1134762392	/nfs/dbraw/zinc/76/23/92/1134762392.db2.gz	CJCGSMJMVAIAJX-UHFFFAOYSA-N	-1	0	290.735	3.599	20	30		CHEDRM
CSc1ncc(C)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001216243208	1134823099	/nfs/dbraw/zinc/82/30/99/1134823099.db2.gz	KSTZUPANHMNLMW-UHFFFAOYSA-N	-1	0	289.335	3.572	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)c(F)c2)cc(C)c1C(=O)[O-]	ZINC001216310975	1134845296	/nfs/dbraw/zinc/84/52/96/1134845296.db2.gz	AHHSMKRSELOLDL-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
COc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001216311070	1134845703	/nfs/dbraw/zinc/84/57/03/1134845703.db2.gz	CGJJLBAIGRLRDL-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
CCc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1C#N	ZINC001216316645	1134850334	/nfs/dbraw/zinc/85/03/34/1134850334.db2.gz	LDHPDKPKGGFKJC-UHFFFAOYSA-N	-1	0	274.270	3.848	20	30		CHEDRM
Cc1c(Nc2ccc(F)c(CC#N)c2)cccc1C(=O)[O-]	ZINC001216663127	1134942544	/nfs/dbraw/zinc/94/25/44/1134942544.db2.gz	WSMVYMPZYJYJPI-UHFFFAOYSA-N	-1	0	284.290	3.642	20	30		CHEDRM
N#Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)c([O-])c1	ZINC001217039139	1134958753	/nfs/dbraw/zinc/95/87/53/1134958753.db2.gz	NZEHXDGMUJKJEN-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1cccc(C(=O)[O-])c1F	ZINC000312785436	1135135658	/nfs/dbraw/zinc/13/56/58/1135135658.db2.gz	AWJAXXQPJASZPX-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C=CCn1cc(-c2ccc3[n-]c(=S)sc3c2)cn1	ZINC001222395803	1135235809	/nfs/dbraw/zinc/23/58/09/1135235809.db2.gz	NIUFZVJNGNGYRF-UHFFFAOYSA-N	-1	0	273.386	3.635	20	30		CHEDRM
C[C@@H](C#N)c1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001222412531	1135238499	/nfs/dbraw/zinc/23/84/99/1135238499.db2.gz	MXSSQWQZPNEKNJ-VIFPVBQESA-N	-1	0	287.265	3.957	20	30		CHEDRM
N#CCc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001222678643	1135263327	/nfs/dbraw/zinc/26/33/27/1135263327.db2.gz	JZBAMMVZEQQPKS-UHFFFAOYSA-N	-1	0	277.323	3.536	20	30		CHEDRM
N#CCc1ccc(F)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001222694476	1135264580	/nfs/dbraw/zinc/26/45/80/1135264580.db2.gz	PCCGDNXWBLTMTP-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
[O-]/N=C(\Cl)c1ccccc1C(F)(F)OC1CCC1	ZINC001222940580	1135286785	/nfs/dbraw/zinc/28/67/85/1135286785.db2.gz	VFLZELXHSKHJJX-WJDWOHSUSA-N	-1	0	275.682	3.680	20	30		CHEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccncc1	ZINC001223594105	1135363977	/nfs/dbraw/zinc/36/39/77/1135363977.db2.gz	SFUDJCDBLAHNHS-PXAAABLISA-N	-1	0	276.723	3.649	20	30		CHEDRM
CCCCCCC[C@@H](C)OCCCC[P@@](=O)([O-])O	ZINC001225023107	1135503192	/nfs/dbraw/zinc/50/31/92/1135503192.db2.gz	UZVCLSOCGBIJRX-CYBMUJFWSA-N	-1	0	280.345	3.710	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1	ZINC001225620107	1135598124	/nfs/dbraw/zinc/59/81/24/1135598124.db2.gz	MRPPADYEDRPBJJ-DOMZBBRYSA-N	-1	0	289.331	3.980	20	30		CHEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)c(F)cc2C#N)c(C)c1	ZINC001226007875	1135651638	/nfs/dbraw/zinc/65/16/38/1135651638.db2.gz	AXOSBWMQYRQHCY-NSHDSACASA-N	-1	0	286.306	3.555	20	30		CHEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC001226008157	1135651650	/nfs/dbraw/zinc/65/16/50/1135651650.db2.gz	FMJSYCIEGSDOBQ-NQBHXWOUSA-N	-1	0	290.338	3.536	20	30		CHEDRM
Cc1ccc2nc(=O)[n-]c(O[C@H](C)CC(C)(C)S)c2c1	ZINC001227345974	1135823805	/nfs/dbraw/zinc/82/38/05/1135823805.db2.gz	GYEXVDSAKHTDIB-SNVBAGLBSA-N	-1	0	292.404	3.510	20	30		CHEDRM
C=C[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)c1ccccc1	ZINC001227605518	1135849568	/nfs/dbraw/zinc/84/95/68/1135849568.db2.gz	IPZLGDJWSFCLFP-VIFPVBQESA-N	-1	0	297.141	3.795	20	30		CHEDRM
C=CCOc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1	ZINC000020878729	171277587	/nfs/dbraw/zinc/27/75/87/171277587.db2.gz	YCFSVYZBZOLFFC-UHFFFAOYSA-N	-1	0	297.354	3.870	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1C	ZINC000046929739	260653738	/nfs/dbraw/zinc/65/37/38/260653738.db2.gz	WZGYRXBJTMVZEI-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
Cc1cc(F)ccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178468717	261393803	/nfs/dbraw/zinc/39/38/03/261393803.db2.gz	DBJRTMPZTRWBSN-CYBMUJFWSA-N	-1	0	294.285	3.765	20	30		CHEDRM
CC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000290573312	263117579	/nfs/dbraw/zinc/11/75/79/263117579.db2.gz	OPCLNVLZMAQLML-JFEKIERCSA-N	-1	0	276.163	3.543	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)o1	ZINC000080457653	264395403	/nfs/dbraw/zinc/39/54/03/264395403.db2.gz	UVESXNWEIMEPRZ-GFCCVEGCSA-N	-1	0	288.372	3.966	20	30		CHEDRM
CC(/C=C/c1nc(C(=O)[O-])ccc1C#N)=C/c1ccccc1	ZINC000508603444	332843513	/nfs/dbraw/zinc/84/35/13/332843513.db2.gz	JDHLIAMVICUVEH-CYAIPPBNSA-N	-1	0	290.322	3.768	20	30		CHEDRM
CCc1cnccc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000180372365	329215586	/nfs/dbraw/zinc/21/55/86/329215586.db2.gz	KYSGWMKGPPBTHL-CYBMUJFWSA-N	-1	0	299.399	3.714	20	30		CHEDRM
Cc1cccnc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430611584	330569541	/nfs/dbraw/zinc/56/95/41/330569541.db2.gz	OQWRPOIKENFVLO-LLVKDONJSA-N	-1	0	299.399	3.634	20	30		CHEDRM
N#Cc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2[O-])cc1	ZINC000492292132	332391057	/nfs/dbraw/zinc/39/10/57/332391057.db2.gz	YGJPWKXONVUBHQ-HJWRWDBZSA-N	-1	0	298.729	3.569	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000079172727	334149347	/nfs/dbraw/zinc/14/93/47/334149347.db2.gz	BOVNRZUAXWAERQ-NSHDSACASA-N	-1	0	288.372	3.966	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2cc[nH]c2C2CCC2)n1	ZINC000577225165	335326176	/nfs/dbraw/zinc/32/61/76/335326176.db2.gz	LWUYTWJGTZRVLB-GFCCVEGCSA-N	-1	0	285.372	3.537	20	30		CHEDRM
C=CCCCC[C@@H](C)Nc1cccc(CC(=O)[O-])c1	ZINC000581536035	336096459	/nfs/dbraw/zinc/09/64/59/336096459.db2.gz	ZPIPGAMCXZFXRA-CYBMUJFWSA-N	-1	0	261.365	3.861	20	30		CHEDRM
C=CCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2	ZINC000736097738	599809961	/nfs/dbraw/zinc/80/99/61/599809961.db2.gz	PWXLOXMUOKKUAO-UHFFFAOYSA-N	-1	0	293.388	3.620	20	30		CHEDRM
C=CCN(C(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1	ZINC000736108480	599901255	/nfs/dbraw/zinc/90/12/55/599901255.db2.gz	UYUJHSILINUTJJ-UHFFFAOYSA-N	-1	0	296.326	3.609	20	30		CHEDRM
C=CCOc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1	ZINC000110307946	599907480	/nfs/dbraw/zinc/90/74/80/599907480.db2.gz	ONXQERGVZAURMW-VMPITWQZSA-N	-1	0	287.340	3.577	20	30		CHEDRM
C=C(C)COc1cccc(N[C@@H](C(=O)[O-])c2ccccc2)c1	ZINC000736094563	600432730	/nfs/dbraw/zinc/43/27/30/600432730.db2.gz	MNLBFBQVKFJZHF-QGZVFWFLSA-N	-1	0	297.354	3.879	20	30		CHEDRM
CCCCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000736983564	600591620	/nfs/dbraw/zinc/59/16/20/600591620.db2.gz	NWDURPBFKRCXPQ-MRXNPFEDSA-N	-1	0	291.391	3.631	20	30		CHEDRM
N#Cc1c(Cl)cccc1NCc1ccc(C(=O)[O-])cc1	ZINC000052903060	600686098	/nfs/dbraw/zinc/68/60/98/600686098.db2.gz	NPGXLDOISZZGFD-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
C[C@H](Nc1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827773587	600740613	/nfs/dbraw/zinc/74/06/13/600740613.db2.gz	RGBIPNRNOATXJD-NSHDSACASA-N	-1	0	281.315	3.821	20	30		CHEDRM
CC(C)C[C@@H](C/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736403810	600816561	/nfs/dbraw/zinc/81/65/61/600816561.db2.gz	KOKVTRMWCYPYOB-KVMVOAJRSA-N	-1	0	299.370	3.711	20	30		CHEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc(C)c1F	ZINC000738319723	600816849	/nfs/dbraw/zinc/81/68/49/600816849.db2.gz	OOUMZMDVMHJMBB-HYXAFXHYSA-N	-1	0	288.274	3.630	20	30		CHEDRM
Cc1cccc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738746330	600937441	/nfs/dbraw/zinc/93/74/41/600937441.db2.gz	HWNRENCFKIMHQC-OAHLLOKOSA-N	-1	0	283.352	3.785	20	30		CHEDRM
CC(C)c1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000827134311	601297407	/nfs/dbraw/zinc/29/74/07/601297407.db2.gz	QNUVOYXJTYXTKJ-KRWDZBQOSA-N	-1	0	294.354	3.919	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC000832876266	601792237	/nfs/dbraw/zinc/79/22/37/601792237.db2.gz	WRRMILHOMJPYBO-PLNGDYQASA-N	-1	0	283.327	3.534	20	30		CHEDRM
CCCCCC[C@@H](C)NN=C1CCC(NC(=O)[O-])CC1	ZINC000826819778	603632967	/nfs/dbraw/zinc/63/29/67/603632967.db2.gz	GHUICIIIQQVGGC-PZORYLMUSA-N	-1	0	283.416	3.501	20	30		CHEDRM
O=C([O-])N1CCc2cccc(/C=C\C(=O)c3ccsc3)c21	ZINC000831292654	603811801	/nfs/dbraw/zinc/81/18/01/603811801.db2.gz	NGPISHNIEBTKRZ-PLNGDYQASA-N	-1	0	299.351	3.685	20	30		CHEDRM
O=C([O-])N1CCc2cccc(/C=C/C(=O)c3cccs3)c21	ZINC000831292874	603812437	/nfs/dbraw/zinc/81/24/37/603812437.db2.gz	RINRXGVBUBZBKY-VOTSOKGWSA-N	-1	0	299.351	3.685	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc(C)c1O	ZINC000832881076	604626970	/nfs/dbraw/zinc/62/69/70/604626970.db2.gz	KRWGROBSBQEQMW-BAQGIRSFSA-N	-1	0	296.322	3.603	20	30		CHEDRM
COc1ccc(C)cc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832259465	604627371	/nfs/dbraw/zinc/62/73/71/604627371.db2.gz	USBWGGYKSLXEDE-HJWRWDBZSA-N	-1	0	296.322	3.598	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)s1	ZINC000832928933	604627914	/nfs/dbraw/zinc/62/79/14/604627914.db2.gz	YXSLNNFVBDBHTP-HJWRWDBZSA-N	-1	0	272.325	3.651	20	30		CHEDRM
C=C[C@H](CC(=O)Oc1ccccc1C(=O)[O-])c1ccccc1	ZINC000833370310	604761893	/nfs/dbraw/zinc/76/18/93/604761893.db2.gz	AXGFPXMCWQVBQG-CYBMUJFWSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C[C@H]1C/C(=C/c2ccoc2C(=O)[O-])C(=O)c2ccccc21	ZINC000833587354	605052167	/nfs/dbraw/zinc/05/21/67/605052167.db2.gz	KMCITDYVKAUEKJ-JMZICWNOSA-N	-1	0	282.295	3.751	20	30		CHEDRM
C[C@H]1C/C(=C/c2ccc(C(=O)[O-])o2)C(=O)c2ccccc21	ZINC000833585622	605052433	/nfs/dbraw/zinc/05/24/33/605052433.db2.gz	AOYVKXHFJYBWCV-RGAIUGGKSA-N	-1	0	282.295	3.751	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833374038	605057339	/nfs/dbraw/zinc/05/73/39/605057339.db2.gz	OEFDWFZSIQWKOU-LLVKDONJSA-N	-1	0	291.351	3.643	20	30		CHEDRM
C[C@@H]1CCC[C@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000768353917	605098658	/nfs/dbraw/zinc/09/86/58/605098658.db2.gz	CEVBGWJMHCYNBF-NEPJUHHUSA-N	-1	0	260.337	3.609	20	30		CHEDRM
COc1cc(NCC(C)(C)CCC#N)ccc1NC(=O)[O-]	ZINC000829197763	605244509	/nfs/dbraw/zinc/24/45/09/605244509.db2.gz	JFPRHFGFBWSHME-UHFFFAOYSA-N	-1	0	291.351	3.527	20	30		CHEDRM
C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1ccc(C#N)cc1	ZINC000833524111	605262863	/nfs/dbraw/zinc/26/28/63/605262863.db2.gz	ANUNWNCPABIBCX-JTQLQIEISA-N	-1	0	299.305	3.960	20	30		CHEDRM
CN(C(=O)[O-])c1ccc(OCCCC(C)(C)C#N)cc1	ZINC000827921752	605353547	/nfs/dbraw/zinc/35/35/47/605353547.db2.gz	RCBRBBVNGMIFES-UHFFFAOYSA-N	-1	0	276.336	3.510	20	30		CHEDRM
C#CCCCCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC000833361604	605676393	/nfs/dbraw/zinc/67/63/93/605676393.db2.gz	CUGOTRPJYJYECM-UHFFFAOYSA-N	-1	0	294.734	3.527	20	30		CHEDRM
C#Cc1cccc(NCc2cc(C(=O)[O-])ccc2Cl)c1	ZINC000833367013	605783230	/nfs/dbraw/zinc/78/32/30/605783230.db2.gz	GPMUCBPENFNLDD-UHFFFAOYSA-N	-1	0	285.730	3.632	20	30		CHEDRM
CCCCCCC[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589645076	949718271	/nfs/dbraw/zinc/71/82/71/949718271.db2.gz	MPBWGVANMYVUDZ-SOUVJXGZSA-N	-1	0	297.439	3.600	20	30		CHEDRM
CCCCCCC[C@H](C)CNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001589645133	949720389	/nfs/dbraw/zinc/72/03/89/949720389.db2.gz	QIDYGZNKGSCVRN-AWEZNQCLSA-N	-1	0	295.423	3.520	20	30		CHEDRM
C#Cc1cccc(NCc2cccc(C(=O)[O-])c2Cl)c1	ZINC000381480189	971760968	/nfs/dbraw/zinc/76/09/68/971760968.db2.gz	AFKLZZMRLNRNLW-UHFFFAOYSA-N	-1	0	285.730	3.632	20	30		CHEDRM
CCCCCCCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000385686653	972008593	/nfs/dbraw/zinc/00/85/93/972008593.db2.gz	FEBFJVSXZOSCLL-HNNXBMFYSA-N	-1	0	297.439	3.887	20	30		CHEDRM
CCCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000059218848	957561303	/nfs/dbraw/zinc/56/13/03/957561303.db2.gz	RGXBVJLMLQXLIN-MRXNPFEDSA-N	-1	0	291.391	3.679	20	30		CHEDRM
N#Cc1ccc(Cl)cc1NCc1cccc(C(=O)[O-])c1	ZINC000062784948	957611741	/nfs/dbraw/zinc/61/17/41/957611741.db2.gz	DPQFZPXTAYKYTJ-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
C=CC(C)(C)CCCNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001588450568	958394897	/nfs/dbraw/zinc/39/48/97/958394897.db2.gz	RXOMOWSKUZHIBZ-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
CCCCCCCCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000136707707	958906199	/nfs/dbraw/zinc/90/61/99/958906199.db2.gz	WELPPTSOBFUGJC-CYBMUJFWSA-N	-1	0	285.428	3.743	20	30		CHEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000227175090	959926634	/nfs/dbraw/zinc/92/66/34/959926634.db2.gz	LYHJIUIOXHMPIY-UHFFFAOYSA-N	-1	0	293.363	3.692	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001573840626	961066813	/nfs/dbraw/zinc/06/68/13/961066813.db2.gz	INPMBKHRPZVGLF-PBHICJAKSA-N	-1	0	297.439	3.696	20	30		CHEDRM
Cc1cccc2c1CC[C@@H]2/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000729641026	1125481774	/nfs/dbraw/zinc/48/17/74/1125481774.db2.gz	ANXYUHIDUDIMLY-PMFHANACSA-N	-1	0	296.326	3.715	20	30		CHEDRM
C=C[C@@H](OC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1	ZINC001573346550	962940314	/nfs/dbraw/zinc/94/03/14/962940314.db2.gz	BZMVOZIAODVNBY-MRXNPFEDSA-N	-1	0	296.322	3.777	20	30		CHEDRM
C#CCCCCCCNc1ccc(CCC(=O)[O-])cc1	ZINC001588441809	964054442	/nfs/dbraw/zinc/05/44/42/964054442.db2.gz	KMFSMWLOLWQUSF-UHFFFAOYSA-N	-1	0	273.376	3.699	20	30		CHEDRM
CC(C)c1ccc(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cc1	ZINC001591943380	976478092	/nfs/dbraw/zinc/47/80/92/976478092.db2.gz	IBYJLOWBMPUKEQ-RUDMXATFSA-N	-1	0	297.354	3.743	20	30		CHEDRM
CC(C)c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001591949299	976505454	/nfs/dbraw/zinc/50/54/54/976505454.db2.gz	SSBLIVZYNKXXNV-YVMONPNESA-N	-1	0	284.311	3.997	20	30		CHEDRM
CC(C)c1ccccc1NCc1cccc(C(=O)[O-])c1C#N	ZINC001591998035	976644226	/nfs/dbraw/zinc/64/42/26/976644226.db2.gz	LDMPFTJOOTUWMD-UHFFFAOYSA-N	-1	0	294.354	3.992	20	30		CHEDRM
CC(CC(C)(C)CC(=O)[O-])N=Nc1cccc(F)c1	ZINC001592443764	978098827	/nfs/dbraw/zinc/09/88/27/978098827.db2.gz	DFOOBLIURZONNG-UHFFFAOYSA-N	-1	0	266.316	3.505	20	30		CHEDRM
C[C@@H](CC=NNCc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC001592470765	978224991	/nfs/dbraw/zinc/22/49/91/978224991.db2.gz	LPRNDQBLKNXWKF-AWEZNQCLSA-N	-1	0	296.370	3.540	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc3ncccc23)CC[C@@H]1CC(=O)[O-]	ZINC000814804548	978886649	/nfs/dbraw/zinc/88/66/49/978886649.db2.gz	UMEWMGMAPGYNTL-VXGBXAGGSA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1cc(C)c(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c(C)c1	ZINC000814860333	978893811	/nfs/dbraw/zinc/89/38/11/978893811.db2.gz	PMCSDUQCFNOALY-ZIAGYGMSSA-N	-1	0	288.391	3.901	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814859442	978893872	/nfs/dbraw/zinc/89/38/72/978893872.db2.gz	VDYOQWYNNKIYSG-BFHYXJOUSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@H]1C(N=Nc2c(F)cccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814905567	978898181	/nfs/dbraw/zinc/89/81/81/978898181.db2.gz	ZDWNYDUMAQLPQP-RKDXNWHRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC23CCCC3)cc1F	ZINC000835009755	979244012	/nfs/dbraw/zinc/24/40/12/979244012.db2.gz	ZICKSDFFJOLPRV-UHFFFAOYSA-N	-1	0	276.311	3.646	20	30		CHEDRM
CCCC[C@@H](SCc1ccc(F)cc1C#N)C(=O)[O-]	ZINC001595656868	982057159	/nfs/dbraw/zinc/05/71/59/982057159.db2.gz	FASVZEJPPFMZBY-CYBMUJFWSA-N	-1	0	281.352	3.574	20	30		CHEDRM
CCCC[C@@H](SCc1ccc(C#N)cc1C)C(=O)[O-]	ZINC001595657619	982064674	/nfs/dbraw/zinc/06/46/74/982064674.db2.gz	OUEHQQKTSNACOW-CQSZACIVSA-N	-1	0	277.389	3.743	20	30		CHEDRM
CCCCCCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC001595703028	982266868	/nfs/dbraw/zinc/26/68/68/982266868.db2.gz	ONFGVNXLUDHTPF-OAHLLOKOSA-N	-1	0	297.439	3.744	20	30		CHEDRM
CCCCCCC[C@@H](C)CNc1nccnc1C(=O)[O-]	ZINC001595704814	982279906	/nfs/dbraw/zinc/27/99/06/982279906.db2.gz	HVVSIURAZMPSQO-GFCCVEGCSA-N	-1	0	279.384	3.583	20	30		CHEDRM
CCCCCCCCCNC(=O)c1cc(C(=O)[O-])oc1C	ZINC001595704869	982280738	/nfs/dbraw/zinc/28/07/38/982280738.db2.gz	KSANSZCBFVXFDE-UHFFFAOYSA-N	-1	0	295.379	3.767	20	30		CHEDRM
C=C[C@H](SCc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC001588714830	983953280	/nfs/dbraw/zinc/95/32/80/983953280.db2.gz	OPGAAPFGOKLREK-ZDUSSCGKSA-N	-1	0	250.363	3.682	20	30		CHEDRM
C=CC1(CC(=O)NCC(CC)(CC)C(=O)[O-])CCCCC1	ZINC001588718821	983957653	/nfs/dbraw/zinc/95/76/53/983957653.db2.gz	GSFDLHZVONOVGU-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
C=CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001588720984	983970819	/nfs/dbraw/zinc/97/08/19/983970819.db2.gz	KIEXSUPNGPIIOE-MRXNPFEDSA-N	-1	0	295.338	3.683	20	30		CHEDRM
C=CC[C@@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-]	ZINC001588752368	984080924	/nfs/dbraw/zinc/08/09/24/984080924.db2.gz	WQQZJTXQAZWXGQ-MNOVXSKESA-N	-1	0	291.244	3.701	20	30		CHEDRM
C=CCC1(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CCC1	ZINC001588767377	984130690	/nfs/dbraw/zinc/13/06/90/984130690.db2.gz	YHBNSFQGIIWQPQ-LBPRGKRZSA-N	-1	0	288.343	3.735	20	30		CHEDRM
C=CC[C@@H]1CC[C@@H](Nc2ccc(CCC(=O)[O-])cc2)C1	ZINC001588770658	984135010	/nfs/dbraw/zinc/13/50/10/984135010.db2.gz	CBIOLVVSTWMSQT-GDBMZVCRSA-N	-1	0	273.376	3.861	20	30		CHEDRM
C=CCCC(C)(C)CNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC001588777010	984155017	/nfs/dbraw/zinc/15/50/17/984155017.db2.gz	RAFCGMZIPVMSFF-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
C=CCCCC(=O)Nc1c(C(=O)[O-])ccc2ccccc21	ZINC001588782355	984171576	/nfs/dbraw/zinc/17/15/76/984171576.db2.gz	CXYLHLXPZBCROE-UHFFFAOYSA-N	-1	0	283.327	3.833	20	30		CHEDRM
C=CCCC[C@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001588787041	984185553	/nfs/dbraw/zinc/18/55/53/984185553.db2.gz	SVFLNPYPGSOYEA-CABCVRRESA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=CCCC[C@@H](Nc1cc(C(=O)[O-])ncn1)c1ccccc1	ZINC001588798642	984237761	/nfs/dbraw/zinc/23/77/61/984237761.db2.gz	MMUGGLLDENLEKG-CQSZACIVSA-N	-1	0	297.358	3.684	20	30		CHEDRM
C=CCCCCCOC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588799715	984241220	/nfs/dbraw/zinc/24/12/20/984241220.db2.gz	BYVPDKHVTLXRCJ-UHFFFAOYSA-N	-1	0	294.391	3.701	20	30		CHEDRM
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(=O)[O-]	ZINC001588886579	984472945	/nfs/dbraw/zinc/47/29/45/984472945.db2.gz	MYICKVMGVMFOHM-GFCCVEGCSA-N	-1	0	289.375	3.588	20	30		CHEDRM
CCOc1cccc(C=Nc2cccc(C(=O)[O-])c2C)c1O	ZINC001597150805	986930339	/nfs/dbraw/zinc/93/03/39/986930339.db2.gz	WZNUPHDBEROYPT-UHFFFAOYSA-N	-1	0	299.326	3.548	20	30		CHEDRM
CCc1cc(NCc2cccc(C(=O)[O-])c2C#N)ccc1F	ZINC001597482342	987977307	/nfs/dbraw/zinc/97/73/07/987977307.db2.gz	FIZKNXXPUOLWQN-UHFFFAOYSA-N	-1	0	298.317	3.570	20	30		CHEDRM
CCc1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC001597520103	988148085	/nfs/dbraw/zinc/14/80/85/988148085.db2.gz	NSXDEKDWJFTLPZ-UHFFFAOYSA-N	-1	0	292.722	3.640	20	30		CHEDRM
CSc1ccc(NCCCC(C)(C)C#N)cc1C(=O)[O-]	ZINC001599821047	988514667	/nfs/dbraw/zinc/51/46/67/988514667.db2.gz	WZMLGGPDLCCQAE-UHFFFAOYSA-N	-1	0	292.404	3.849	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1CSc1ccc(C#N)cc1	ZINC001599499629	997090274	/nfs/dbraw/zinc/09/02/74/997090274.db2.gz	MXTXKAXIUQYREG-UHFFFAOYSA-N	-1	0	299.351	3.557	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1CSc1cccc(C#N)c1	ZINC001599499894	997096623	/nfs/dbraw/zinc/09/66/23/997096623.db2.gz	RBWKVWIQSPPLKU-UHFFFAOYSA-N	-1	0	299.351	3.557	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2)n1	ZINC000041520434	1125433727	/nfs/dbraw/zinc/43/37/27/1125433727.db2.gz	APEAJXJFJYXAMB-LLVKDONJSA-N	-1	0	276.748	3.595	20	30		CHEDRM
N#Cc1ccsc1Nc1c(Cl)ccc([O-])c1F	ZINC001214554407	1134549496	/nfs/dbraw/zinc/54/94/96/1134549496.db2.gz	QBJRKPQVNKQPLY-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
Cc1cc(Cl)c(N)c(Nc2scc([O-])c2C#N)c1	ZINC001216092159	1134774849	/nfs/dbraw/zinc/77/48/49/1134774849.db2.gz	FYDYTVFURDCTEK-UHFFFAOYSA-N	-1	0	279.752	3.613	20	30		CHEDRM
CCCC[C@H](CCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008866	1135651749	/nfs/dbraw/zinc/65/17/49/1135651749.db2.gz	NAUKMTFSRICGTK-NSHDSACASA-N	-1	0	266.316	3.536	20	30		CHEDRM
O=C(/C=C\c1cccc(OC(F)F)c1)c1ccccc1[O-]	ZINC000757473999	1125768038	/nfs/dbraw/zinc/76/80/38/1125768038.db2.gz	ICPDJBNDMLUDSL-HJWRWDBZSA-N	-1	0	290.265	3.890	20	30		CHEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)CC1	ZINC000911688188	1127085750	/nfs/dbraw/zinc/08/57/50/1127085750.db2.gz	IUDDQDSNLGFVCP-UHFFFAOYSA-N	-1	0	291.322	3.517	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000163660212	1127138547	/nfs/dbraw/zinc/13/85/47/1127138547.db2.gz	BRSNTJSMUUYMOA-UHFFFAOYSA-N	-1	0	288.372	3.823	20	30		CHEDRM
CCn1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cn1	ZINC000156609332	1127160008	/nfs/dbraw/zinc/16/00/08/1127160008.db2.gz	NJGBFMFRIIOXSW-JXMROGBWSA-N	-1	0	292.338	3.658	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1)c1nc2cc(F)ccc2s1	ZINC000592974175	1127363563	/nfs/dbraw/zinc/36/35/63/1127363563.db2.gz	PEDJNYNVGKIUMB-SNVBAGLBSA-N	-1	0	286.287	3.518	20	30		CHEDRM
Cc1[n-]n([C@H](C)c2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000601935726	1127553786	/nfs/dbraw/zinc/55/37/86/1127553786.db2.gz	MIAKMKCPISACGN-BXUZGUMPSA-N	-1	0	289.766	3.539	20	30		CHEDRM
CCOCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000060803133	1127587232	/nfs/dbraw/zinc/58/72/32/1127587232.db2.gz	RDEYWNDUXSUYKS-OVCLIPMQSA-N	-1	0	276.163	3.545	20	30		CHEDRM
C=CCC[C@@H](C(=O)[N-]OCc1ccccc1)c1ccccc1	ZINC000777770346	1128268649	/nfs/dbraw/zinc/26/86/49/1128268649.db2.gz	ZXUQWCNOZIOEDF-GOSISDBHSA-N	-1	0	295.382	3.984	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC(c1ccc(F)cc1)C1CC1	ZINC000914693495	1128231032	/nfs/dbraw/zinc/23/10/32/1128231032.db2.gz	FHZUTVGIEQPSQB-UHFFFAOYSA-N	-1	0	298.317	3.750	20	30		CHEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000914701519	1128232382	/nfs/dbraw/zinc/23/23/82/1128232382.db2.gz	JTSPLKLBZQOIPC-WOJGMQOQSA-N	-1	0	298.342	3.697	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2CCCC2)c1[O-]	ZINC000914702180	1128232863	/nfs/dbraw/zinc/23/28/63/1128232863.db2.gz	YQGHIDBSPLJLPJ-NVNXTCNLSA-N	-1	0	282.727	3.563	20	30		CHEDRM
CC[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000915113045	1128284660	/nfs/dbraw/zinc/28/46/60/1128284660.db2.gz	MACFBDYGLCYGAX-NMGOYGNESA-N	-1	0	276.336	3.688	20	30		CHEDRM
Oc1ccc(CN=Nc2cc(Cl)ccn2)cc1Cl	ZINC000777905284	1128318386	/nfs/dbraw/zinc/31/83/86/1128318386.db2.gz	FUFRNGCKPROVRZ-UHFFFAOYSA-N	-1	0	282.130	3.540	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1	ZINC000916240718	1128412680	/nfs/dbraw/zinc/41/26/80/1128412680.db2.gz	LHPXXNOEVHFVHX-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CCCCCC1=C(N=Nc2nc(C)cc(=O)[n-]2)CCC1	ZINC000916583561	1128427395	/nfs/dbraw/zinc/42/73/95/1128427395.db2.gz	KGETZRJWMIAXHP-UHFFFAOYSA-N	-1	0	274.368	3.559	20	30		CHEDRM
CCCOc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000917542496	1128503750	/nfs/dbraw/zinc/50/37/50/1128503750.db2.gz	FPTACHOEAJORQE-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000128573950	1128504379	/nfs/dbraw/zinc/50/43/79/1128504379.db2.gz	IXKULEPHISOFTR-LBPRGKRZSA-N	-1	0	293.326	3.517	20	30		CHEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1CCCCC1	ZINC000042320291	1128573218	/nfs/dbraw/zinc/57/32/18/1128573218.db2.gz	LUHWDYIZSDSIHL-VAWYXSNFSA-N	-1	0	293.388	3.524	20	30		CHEDRM
C[C@@H](CCc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920942971	1128695650	/nfs/dbraw/zinc/69/56/50/1128695650.db2.gz	WFBQPYSKLGBAAL-CYUIRQCWSA-N	-1	0	298.342	3.741	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2CC=CCC2)c1[O-]	ZINC000920991615	1128696583	/nfs/dbraw/zinc/69/65/83/1128696583.db2.gz	YDNKHWAVVZQSDW-XBTXGSBDSA-N	-1	0	294.738	3.729	20	30		CHEDRM
Cc1cc(C#N)c(F)cc1Nc1cc(O)cc(F)c1	ZINC001208124847	1117803292	/nfs/dbraw/zinc/80/32/92/1117803292.db2.gz	AFZFPYPXYBHAAD-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1F	ZINC000254952405	1117915480	/nfs/dbraw/zinc/91/54/80/1117915480.db2.gz	MWZOPQWFCOYFJW-DJWKRKHSSA-N	-1	0	290.265	3.575	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1ccc(F)cc1O	ZINC001210016541	1118132135	/nfs/dbraw/zinc/13/21/35/1118132135.db2.gz	KBEWSRIKPZOEFC-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC001210400780	1118274280	/nfs/dbraw/zinc/27/42/80/1118274280.db2.gz	LVWXZJFHHSQECO-JTQLQIEISA-N	-1	0	283.287	3.671	20	30		CHEDRM
CCC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000340908046	1118552263	/nfs/dbraw/zinc/55/22/63/1118552263.db2.gz	GZVMISOVTCFSAN-CYBMUJFWSA-N	-1	0	298.367	3.534	20	30		CHEDRM
CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000076910487	1128792843	/nfs/dbraw/zinc/79/28/43/1128792843.db2.gz	RKWJFAXKMHROGA-GFCCVEGCSA-N	-1	0	277.430	3.535	20	30		CHEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)C(C)(C)C	ZINC000835008703	1118761042	/nfs/dbraw/zinc/76/10/42/1118761042.db2.gz	NEKOZUYQZZLCQN-VIFPVBQESA-N	-1	0	266.316	3.604	20	30		CHEDRM
CC1(C)CCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835011045	1118769237	/nfs/dbraw/zinc/76/92/37/1118769237.db2.gz	ALSPMDJXRWHVOY-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCCCCCC2)c1	ZINC000022727051	1118822602	/nfs/dbraw/zinc/82/26/02/1118822602.db2.gz	BWLCJYPUJVAGGV-LFIBNONCSA-N	-1	0	276.336	3.832	20	30		CHEDRM
COc1cccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c1	ZINC000255404971	1118838969	/nfs/dbraw/zinc/83/89/69/1118838969.db2.gz	FFXXJMHXPNYJOR-WAYWQWQTSA-N	-1	0	290.265	3.575	20	30		CHEDRM
COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1C	ZINC000728438212	1118944642	/nfs/dbraw/zinc/94/46/42/1118944642.db2.gz	CBBRJMZCGZIQSL-ZZXKWVIFSA-N	-1	0	286.302	3.744	20	30		CHEDRM
O=C(/C=C/C=C/c1ccccc1)c1ccc([O-])c(F)c1	ZINC000728439169	1118946877	/nfs/dbraw/zinc/94/68/77/1118946877.db2.gz	WENJNJIGLUGBRR-KBXRYBNXSA-N	-1	0	268.287	3.984	20	30		CHEDRM
N#Cc1cc(Nc2cc(Cl)ccc2O)c([O-])cc1F	ZINC001216402747	1119053132	/nfs/dbraw/zinc/05/31/32/1119053132.db2.gz	FWMLWVKLIQMDKS-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)c(Cl)c2)cc(C(=O)[O-])c1	ZINC001211543012	1119059236	/nfs/dbraw/zinc/05/92/36/1119059236.db2.gz	UXMLFKDABAGETK-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(Nc2c(C)cc(C#N)cc2C)cc(C(=O)[O-])c1	ZINC001211544933	1119078384	/nfs/dbraw/zinc/07/83/84/1119078384.db2.gz	OZGPCMCIOGJAAL-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
CCCc1occc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000342651789	1119112592	/nfs/dbraw/zinc/11/25/92/1119112592.db2.gz	HIIBNZXTIHTDQN-LBPRGKRZSA-N	-1	0	294.310	3.863	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(F)ccc1Cl	ZINC001216478453	1119124799	/nfs/dbraw/zinc/12/47/99/1119124799.db2.gz	SAQBXDGUYJHLLX-UHFFFAOYSA-N	-1	0	268.700	3.861	20	30		CHEDRM
CC(C)N(C)c1ccc(/C=C\C(=O)c2ccc(O)cc2)cn1	ZINC000588578396	1119374358	/nfs/dbraw/zinc/37/43/58/1119374358.db2.gz	XVDTVVFUWJDBMQ-WMZJFQQLSA-N	-1	0	296.370	3.528	20	30		CHEDRM
Cc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1C#N	ZINC001211604229	1119442803	/nfs/dbraw/zinc/44/28/03/1119442803.db2.gz	VXWLNHCOKYLSBJ-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(Nc2c(C)ccc(C)c2C#N)cc1C(=O)[O-]	ZINC001211607992	1119465551	/nfs/dbraw/zinc/46/55/51/1119465551.db2.gz	HTAUVKBWEGJLBT-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3ccccc3s2)c1	ZINC000176831125	1119508063	/nfs/dbraw/zinc/50/80/63/1119508063.db2.gz	JPDQSQCEQDLTTD-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2C)cc1F	ZINC001211628871	1119680904	/nfs/dbraw/zinc/68/09/04/1119680904.db2.gz	LNKYFPFBSGVNCI-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647371758	1119699302	/nfs/dbraw/zinc/69/93/02/1119699302.db2.gz	YDKQJUHBNXYUSK-ZDUSSCGKSA-N	-1	0	282.368	3.819	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1	ZINC000647374991	1119701830	/nfs/dbraw/zinc/70/18/30/1119701830.db2.gz	PRSVIEDHIKVTQG-ZDUSSCGKSA-N	-1	0	282.368	3.819	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2ccc(C#N)s2)c1	ZINC000255678626	1119720225	/nfs/dbraw/zinc/72/02/25/1119720225.db2.gz	JHDBRJBKXKYLDL-ALCCZGGFSA-N	-1	0	269.325	3.530	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc(Cl)nc1	ZINC000179413450	1119736351	/nfs/dbraw/zinc/73/63/51/1119736351.db2.gz	YSJXCQGWZCHZKH-HNQUOIGGSA-N	-1	0	295.672	3.615	20	30		CHEDRM
C=CC[C@H](C(=O)[N-]OC1CCCCC1)c1ccccc1	ZINC000779322798	1128871360	/nfs/dbraw/zinc/87/13/60/1128871360.db2.gz	DAFITGCNAGJAAV-INIZCTEOSA-N	-1	0	273.376	3.727	20	30		CHEDRM
CCc1ccsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000066516514	1119902729	/nfs/dbraw/zinc/90/27/29/1119902729.db2.gz	AAKYULURHOWNOY-LLVKDONJSA-N	-1	0	296.351	3.942	20	30		CHEDRM
COCc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000255905232	1119983026	/nfs/dbraw/zinc/98/30/26/1119983026.db2.gz	ZNNGLWAAYUOBLT-ALCCZGGFSA-N	-1	0	286.302	3.574	20	30		CHEDRM
CSc1cc(C([O-])=C(C#N)c2nc(C)cs2)c(C)o1	ZINC000659010673	1119989442	/nfs/dbraw/zinc/98/94/42/1119989442.db2.gz	VRIOUPXCAHOOEL-SNVBAGLBSA-N	-1	0	292.385	3.565	20	30		CHEDRM
Cc1cc(Nc2sc3c(c2C#N)CCC3)ccc1C(=O)[O-]	ZINC001211647659	1120101468	/nfs/dbraw/zinc/10/14/68/1120101468.db2.gz	BDCHGDQCXBTROQ-UHFFFAOYSA-N	-1	0	298.367	3.859	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1C	ZINC000765825570	1120111578	/nfs/dbraw/zinc/11/15/78/1120111578.db2.gz	PXYNSTPRNRHOMO-VQHVLOKHSA-N	-1	0	280.323	3.898	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cccc(Cl)c2)c1	ZINC000765827561	1120113149	/nfs/dbraw/zinc/11/31/49/1120113149.db2.gz	WCDHEDSEFPQECY-PLNGDYQASA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1coc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000892800560	1120144675	/nfs/dbraw/zinc/14/46/75/1120144675.db2.gz	CJQBLKQBHPADPB-SNVBAGLBSA-N	-1	0	274.345	3.658	20	30		CHEDRM
C[C@@H]1CC(C)(C)CC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000765992725	1120546585	/nfs/dbraw/zinc/54/65/85/1120546585.db2.gz	NPYJRJSCQGIRDH-SNVBAGLBSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCC1CCCCC1	ZINC000073838038	1120643766	/nfs/dbraw/zinc/64/37/66/1120643766.db2.gz	KBPZVHASUUMXRD-UHFFFAOYSA-N	-1	0	289.441	3.822	20	30		CHEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C	ZINC000070029391	1128931832	/nfs/dbraw/zinc/93/18/32/1128931832.db2.gz	WQALZTLEPDRCCJ-LBPRGKRZSA-N	-1	0	297.420	3.713	20	30		CHEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1F	ZINC001212514200	1120704358	/nfs/dbraw/zinc/70/43/58/1120704358.db2.gz	HRAIHMCOGKYDHK-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2cc[nH]c2c1	ZINC001174747699	1121034622	/nfs/dbraw/zinc/03/46/22/1121034622.db2.gz	JQKWYWFKTPNLQI-UHFFFAOYSA-N	-1	0	255.302	3.550	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccc(C(=O)[O-])s1	ZINC001174805482	1121054446	/nfs/dbraw/zinc/05/44/46/1121054446.db2.gz	SKGMRSVBEQXEHV-UHFFFAOYSA-N	-1	0	284.296	3.808	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953073	1121109550	/nfs/dbraw/zinc/10/95/50/1121109550.db2.gz	ISBLQYFNHYOUDG-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
C=CCC1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCCC1	ZINC000619111481	1128965620	/nfs/dbraw/zinc/96/56/20/1128965620.db2.gz	ZRADNMQQTABMAC-UHFFFAOYSA-N	-1	0	297.757	3.803	20	30		CHEDRM
Cc1csc(Nc2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001175155149	1121186824	/nfs/dbraw/zinc/18/68/24/1121186824.db2.gz	MSBTUCFQDOQHTK-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175156634	1121188457	/nfs/dbraw/zinc/18/84/57/1121188457.db2.gz	HXDOIXULBXLVMF-UHFFFAOYSA-N	-1	0	284.290	3.702	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001175220654	1121228259	/nfs/dbraw/zinc/22/82/59/1121228259.db2.gz	VMCHNOKGNZKYGD-JTQLQIEISA-N	-1	0	284.290	3.895	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175217966	1121228281	/nfs/dbraw/zinc/22/82/81/1121228281.db2.gz	ZERVBBUVWMGXFQ-UHFFFAOYSA-N	-1	0	296.257	3.885	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175223539	1121230634	/nfs/dbraw/zinc/23/06/34/1121230634.db2.gz	SSOHDNLHYZZYBW-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(F)c1F	ZINC001176093873	1121538186	/nfs/dbraw/zinc/53/81/86/1121538186.db2.gz	WTJQMTYNQASZTF-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)c(Cl)c1	ZINC001176437337	1121622672	/nfs/dbraw/zinc/62/26/72/1121622672.db2.gz	SVBOUATUCRVRES-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1c(F)c(Cl)ccc1Nc1csc(C(=O)[O-])c1	ZINC001176440038	1121623711	/nfs/dbraw/zinc/62/37/11/1121623711.db2.gz	DGPZPZJJFKCSAJ-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
N#CCc1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176589739	1121649353	/nfs/dbraw/zinc/64/93/53/1121649353.db2.gz	YCVVAKDCUGXGTM-UHFFFAOYSA-N	-1	0	292.338	3.612	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176592788	1121650402	/nfs/dbraw/zinc/65/04/02/1121650402.db2.gz	OPWJUQHIGVYFNY-RMKNXTFCSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccccc1Cl	ZINC001176553137	1121653738	/nfs/dbraw/zinc/65/37/38/1121653738.db2.gz	RNNHEMIODAIDKI-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176598036	1121668827	/nfs/dbraw/zinc/66/88/27/1121668827.db2.gz	SYAFSNGJWDKNSD-QPJJXVBHSA-N	-1	0	278.311	3.708	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1	ZINC001176712309	1121690241	/nfs/dbraw/zinc/69/02/41/1121690241.db2.gz	PQONDYRMTPZDEY-UHFFFAOYSA-N	-1	0	266.300	3.562	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC001176713802	1121690332	/nfs/dbraw/zinc/69/03/32/1121690332.db2.gz	QRLUYRHKVVDBAD-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cc(F)ccc2F)cs1	ZINC000730148956	1121794517	/nfs/dbraw/zinc/79/45/17/1121794517.db2.gz	QUEBYJQJWDMQBW-DAFODLJHSA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cc(F)ccc2F)cs1	ZINC000730148957	1121794647	/nfs/dbraw/zinc/79/46/47/1121794647.db2.gz	QUEBYJQJWDMQBW-RJRFIUFISA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc(F)cc2F)cs1	ZINC000730149510	1121795190	/nfs/dbraw/zinc/79/51/90/1121795190.db2.gz	XWTOWNABKWBXLJ-RQOWECAXSA-N	-1	0	294.278	3.621	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1C	ZINC000731311653	1121858340	/nfs/dbraw/zinc/85/83/40/1121858340.db2.gz	FNGSMEZILWFFMB-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
CCCNC(=S)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000731318845	1121863940	/nfs/dbraw/zinc/86/39/40/1121863940.db2.gz	DRGPOPNFAHMEQH-NSHDSACASA-N	-1	0	293.461	3.777	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc3cc[nH]c32)c1	ZINC000773904367	1122037746	/nfs/dbraw/zinc/03/77/46/1122037746.db2.gz	AGXRTMQEKMOTMJ-UHFFFAOYSA-N	-1	0	281.271	3.532	20	30		CHEDRM
C=C1CC(C)(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC000632224618	1129043629	/nfs/dbraw/zinc/04/36/29/1129043629.db2.gz	FUYYGNRIHFLAGG-UHFFFAOYSA-N	-1	0	286.158	3.994	20	30		CHEDRM
CCCn1nc(C)c(C=CC(=O)c2sccc2[O-])c1C	ZINC000193149817	1129056361	/nfs/dbraw/zinc/05/63/61/1129056361.db2.gz	WESBLCYIKRNLRF-AATRIKPKSA-N	-1	0	290.388	3.573	20	30		CHEDRM
C=C(C)CCc1noc(-c2ccc([O-])c(Cl)c2)n1	ZINC000436685652	1122571949	/nfs/dbraw/zinc/57/19/49/1122571949.db2.gz	CYARTJXTGHHJCM-UHFFFAOYSA-N	-1	0	264.712	3.604	20	30		CHEDRM
CCCCCCC[C@H](C)NC(=O)N[C@@H]1[CH]CC=C1	ZINC001192953674	1122663640	/nfs/dbraw/zinc/66/36/40/1122663640.db2.gz	RAZAAERLKFLMLT-KBPBESRZSA-N	-1	0	251.394	3.567	20	30		CHEDRM
N#Cc1cccc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001250584500	1122784824	/nfs/dbraw/zinc/78/48/24/1122784824.db2.gz	WOSSEYYKCNRRKM-UHFFFAOYSA-N	-1	0	275.666	3.716	20	30		CHEDRM
Cc1csc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001203316363	1122996373	/nfs/dbraw/zinc/99/63/73/1122996373.db2.gz	KVGBRYXFZLTXML-UHFFFAOYSA-N	-1	0	294.282	3.648	20	30		CHEDRM
Cc1sc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C#N)c1C	ZINC001199802816	1123041511	/nfs/dbraw/zinc/04/15/11/1123041511.db2.gz	ZAYKRTLRHJOXGX-UHFFFAOYSA-N	-1	0	289.316	3.594	20	30		CHEDRM
CSc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000141142388	1123050769	/nfs/dbraw/zinc/05/07/69/1123050769.db2.gz	KGGQFROOWCKPNR-RUDMXATFSA-N	-1	0	286.352	3.716	20	30		CHEDRM
Cc1c(N=NC2CCCCCC2)cccc1C(=O)[O-]	ZINC000844627762	1123056667	/nfs/dbraw/zinc/05/66/67/1123056667.db2.gz	QPTQHRNSDWRFHS-UHFFFAOYSA-N	-1	0	260.337	3.815	20	30		CHEDRM
Cc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000049020804	1123058799	/nfs/dbraw/zinc/05/87/99/1123058799.db2.gz	UTOZQMHPPBGMMH-SOOGHKCXSA-N	-1	0	290.344	3.850	20	30		CHEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000005549222	1123085168	/nfs/dbraw/zinc/08/51/68/1123085168.db2.gz	DHNQBGNLLRZGOV-SOFGYWHQSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#Cc1ccc([N-]c2nc3ccc(F)cc3o2)c(F)c1	ZINC001201555978	1123119683	/nfs/dbraw/zinc/11/96/83/1123119683.db2.gz	RFFPCGDLIUPTCZ-UHFFFAOYSA-N	-1	0	271.226	3.721	20	30		CHEDRM
N#Cc1ccc(Nc2cc([O-])c(Cl)cc2F)c(F)c1	ZINC001201569716	1123125955	/nfs/dbraw/zinc/12/59/55/1123125955.db2.gz	OUNLQPLZFZELET-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CCCCCCCCCCS(=O)(=O)NC1=CC=C[CH]1	ZINC001201837451	1123154269	/nfs/dbraw/zinc/15/42/69/1123154269.db2.gz	WPAIPWXKTMRBPO-UHFFFAOYSA-N	-1	0	284.445	3.704	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000109033862	1123235266	/nfs/dbraw/zinc/23/52/66/1123235266.db2.gz	ZFXPGYZGHCOSOS-UHFFFAOYSA-N	-1	0	297.439	3.840	20	30		CHEDRM
N#Cc1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cc1	ZINC000439266036	1123423957	/nfs/dbraw/zinc/42/39/57/1123423957.db2.gz	ARIAGPHZUGCLCX-VMPITWQZSA-N	-1	0	290.278	3.568	20	30		CHEDRM
CC(N=Nc1ccc(Cl)cn1)[C@H](C)CCCCC(=O)[O-]	ZINC000853434389	1123440046	/nfs/dbraw/zinc/44/00/46/1123440046.db2.gz	FJJOGWZIEGENOZ-SNVBAGLBSA-N	-1	0	297.786	3.804	20	30		CHEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc2ccccc2c1	ZINC000856031787	1123545377	/nfs/dbraw/zinc/54/53/77/1123545377.db2.gz	BECDMRIFUZYPRM-UHFFFAOYSA-N	-1	0	283.371	3.741	20	30		CHEDRM
C=CC[C@@H](Oc1ccc(=O)[nH]n1)c1ccc(Cl)cc1	ZINC001227093661	1123546874	/nfs/dbraw/zinc/54/68/74/1123546874.db2.gz	PHDUHOQNNYVRJC-GFCCVEGCSA-N	-1	0	276.723	3.532	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)c1	ZINC000041545433	1123592377	/nfs/dbraw/zinc/59/23/77/1123592377.db2.gz	GVJPRLOUBQGTKX-AWEZNQCLSA-N	-1	0	290.322	3.935	20	30		CHEDRM
C[C@@H](F)CC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840705078	1123663424	/nfs/dbraw/zinc/66/34/24/1123663424.db2.gz	DQAAYMVFWNDRAX-LHGJSEJASA-N	-1	0	264.127	3.866	20	30		CHEDRM
C=CCCC1(CNc2cc(Cl)[nH]c(=O)n2)CCCC1	ZINC000858620872	1123667551	/nfs/dbraw/zinc/66/75/51/1123667551.db2.gz	HHUMIAPDQQDODH-UHFFFAOYSA-N	-1	0	281.787	3.774	20	30		CHEDRM
CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2[O-])cc1	ZINC000143162750	1123745370	/nfs/dbraw/zinc/74/53/70/1123745370.db2.gz	FNQKIOZMRZIZTJ-IZZDOVSWSA-N	-1	0	298.338	3.696	20	30		CHEDRM
C[C@@H]1CSC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000794676270	1123926836	/nfs/dbraw/zinc/92/68/36/1123926836.db2.gz	KUSSKBMVKLJZGY-ZYFUPFLOSA-N	-1	0	290.215	3.869	20	30		CHEDRM
O=C([O-])c1ccccc1N=NCCc1cccc(Cl)c1	ZINC000794887893	1124027794	/nfs/dbraw/zinc/02/77/94/1124027794.db2.gz	KTXIIEUSHUSGOO-UHFFFAOYSA-N	-1	0	288.734	3.679	20	30		CHEDRM
O=C([N-]S(=O)(=O)C1CCCC1)C1CCCCCCC1	ZINC000086055656	1129163948	/nfs/dbraw/zinc/16/39/48/1129163948.db2.gz	MFNFBSJHDLRFOI-UHFFFAOYSA-N	-1	0	287.425	3.576	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1cscn1	ZINC000122219088	1124477080	/nfs/dbraw/zinc/47/70/80/1124477080.db2.gz	GGAVLEDNRUEQRK-LZWSPWQCSA-N	-1	0	287.171	3.775	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])cc2F)cc1	ZINC001239262718	1131308858	/nfs/dbraw/zinc/30/88/58/1131308858.db2.gz	VXIJWPTZGCSUHC-UHFFFAOYSA-N	-1	0	283.302	3.992	20	30		CHEDRM
O=C([O-])c1ccc(-c2ccc(CS)cc2)c(F)c1	ZINC001239267759	1131310161	/nfs/dbraw/zinc/31/01/61/1131310161.db2.gz	XMICXZYPUVPRTR-UHFFFAOYSA-N	-1	0	262.305	3.621	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1ccc(C(=O)[O-])cc1F	ZINC001239245124	1131306828	/nfs/dbraw/zinc/30/68/28/1131306828.db2.gz	KGGFPGSWJSGXSE-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
C=CCCOc1ccccc1-c1cc(C=O)cc(C(=O)[O-])c1	ZINC000874969702	1124871901	/nfs/dbraw/zinc/87/19/01/1124871901.db2.gz	SGZRYXOPUIDOJX-UHFFFAOYSA-N	-1	0	296.322	3.819	20	30		CHEDRM
CCc1cnc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])s1	ZINC000783710340	1125285656	/nfs/dbraw/zinc/28/56/56/1125285656.db2.gz	GAZHKEXWWGZNOG-ONEGZZNKSA-N	-1	0	295.310	3.585	20	30		CHEDRM
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)sc1C	ZINC000041497312	1125433389	/nfs/dbraw/zinc/43/33/89/1125433389.db2.gz	MKBNTVPVMILBFC-LLVKDONJSA-N	-1	0	295.367	3.731	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2ccc3c(c2)CCCC3)n1	ZINC000041518737	1125433636	/nfs/dbraw/zinc/43/36/36/1125433636.db2.gz	VESYOOIJKKKGPF-OAHLLOKOSA-N	-1	0	296.395	3.820	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2cccc(C)c2C)n1	ZINC000041519998	1125433810	/nfs/dbraw/zinc/43/38/10/1125433810.db2.gz	LUABCEJMFCLHFC-CYBMUJFWSA-N	-1	0	270.357	3.558	20	30		CHEDRM
O=C(C=Cc1ccc(F)c(F)c1)c1sccc1[O-]	ZINC000184517917	1129209405	/nfs/dbraw/zinc/20/94/05/1129209405.db2.gz	JRLOZDQIVGAOJP-DUXPYHPUSA-N	-1	0	266.268	3.628	20	30		CHEDRM
CCOc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1	ZINC000187222584	1129281935	/nfs/dbraw/zinc/28/19/35/1129281935.db2.gz	MLMKPOUWUBJEMF-RIYZIHGNSA-N	-1	0	280.323	3.613	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1C	ZINC000734305023	1129300550	/nfs/dbraw/zinc/30/05/50/1129300550.db2.gz	FLNLVXVNBWJCQZ-VQHVLOKHSA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccc(F)c(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000734979861	1129327008	/nfs/dbraw/zinc/32/70/08/1129327008.db2.gz	DQMUXIGTHHMINL-ZZXKWVIFSA-N	-1	0	274.266	3.875	20	30		CHEDRM
O=C(/C=C\c1nccc2ccccc12)c1ccc([O-])c(F)c1	ZINC000740765706	1129419163	/nfs/dbraw/zinc/41/91/63/1129419163.db2.gz	OCJSKQSJZFUGFM-VURMDHGXSA-N	-1	0	293.297	3.976	20	30		CHEDRM
CC[C@H](C)C[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000743041691	1129511405	/nfs/dbraw/zinc/51/14/05/1129511405.db2.gz	BZWAIPJRHFAIFJ-ALNRQSLMSA-N	-1	0	264.325	3.544	20	30		CHEDRM
C=CCC1(NC(=O)c2ccc(O)c(F)c2)CCCCC1	ZINC000654020825	1129810517	/nfs/dbraw/zinc/81/05/17/1129810517.db2.gz	HKRCZTBQTDXUOU-UHFFFAOYSA-N	-1	0	277.339	3.540	20	30		CHEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cc2)C[C@@H]1c1ccccc1	ZINC000767733881	1129811835	/nfs/dbraw/zinc/81/18/35/1129811835.db2.gz	HCZXXNVSYMZUMQ-WBMJQRKESA-N	-1	0	294.354	3.976	20	30		CHEDRM
Cc1ccc(Nc2cc(Cl)ccc2C#N)cc1C(=O)[O-]	ZINC000110989025	1129843478	/nfs/dbraw/zinc/84/34/78/1129843478.db2.gz	DXEGFHBNSSQJAZ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
O=C(/C=C/c1cccc(O)c1)c1ccc([O-])c(Cl)c1	ZINC000119257323	1129847700	/nfs/dbraw/zinc/84/77/00/1129847700.db2.gz	FBSKYPGTWVORLC-GQCTYLIASA-N	-1	0	274.703	3.647	20	30		CHEDRM
Cc1ccccc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000038709194	1129849875	/nfs/dbraw/zinc/84/98/75/1129849875.db2.gz	QRBNUCYXJXYUIV-SOFGYWHQSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#Cc1cc(-c2ccsc2CC(=O)[O-])ccc1C1CC1	ZINC000901079108	1129909256	/nfs/dbraw/zinc/90/92/56/1129909256.db2.gz	FXBLYMIEMYAOCC-UHFFFAOYSA-N	-1	0	283.352	3.791	20	30		CHEDRM
CCn1nc(/C=C/C(=O)c2ccccc2[O-])c2ccccc21	ZINC000769746845	1129924401	/nfs/dbraw/zinc/92/44/01/1129924401.db2.gz	RRPLJFFCHXRQSJ-VAWYXSNFSA-N	-1	0	292.338	3.658	20	30		CHEDRM
CC(=NNc1cccc(F)c1F)c1sccc1[O-]	ZINC000769789861	1129925479	/nfs/dbraw/zinc/92/54/79/1129925479.db2.gz	IAUVEWAOFUHQNC-UHFFFAOYSA-N	-1	0	268.288	3.568	20	30		CHEDRM
C=C(Cl)C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901939506	1129966819	/nfs/dbraw/zinc/96/68/19/1129966819.db2.gz	TWZKJADYGZSQQC-JQWIXIFHSA-N	-1	0	293.750	3.679	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(C3CC3)cc2)c1	ZINC000771520691	1129984011	/nfs/dbraw/zinc/98/40/11/1129984011.db2.gz	PRAURTHYXONTLE-UHFFFAOYSA-N	-1	0	282.299	3.928	20	30		CHEDRM
N#Cc1c(F)cc(-c2ccc3oc(=S)[n-]c3c2)cc1F	ZINC001239927834	1130154985	/nfs/dbraw/zinc/15/49/85/1130154985.db2.gz	WDZFNYVXUHTPPQ-UHFFFAOYSA-N	-1	0	288.278	3.933	20	30		CHEDRM
Cc1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001240224507	1130240716	/nfs/dbraw/zinc/24/07/16/1130240716.db2.gz	BDVZYCSBHNNCLD-FBCYGCLPSA-N	-1	0	280.249	3.884	20	30		CHEDRM
CC(C)CN(CCC#N)Cc1c([O-])ccc(Cl)c1F	ZINC000792157317	1130434701	/nfs/dbraw/zinc/43/47/01/1130434701.db2.gz	TXALFNHNTGMICN-UHFFFAOYSA-N	-1	0	284.762	3.556	20	30		CHEDRM
O=C(/C=C\c1cncc2ccccc12)c1ccccc1[O-]	ZINC000772801842	1130460618	/nfs/dbraw/zinc/46/06/18/1130460618.db2.gz	OFFVJVDIFMKOKP-KTKRTIGZSA-N	-1	0	275.307	3.837	20	30		CHEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])s3)cc2)CC1	ZINC001240847932	1130492235	/nfs/dbraw/zinc/49/22/35/1130492235.db2.gz	MMSBNKNIKPULFJ-UHFFFAOYSA-N	-1	0	269.325	3.668	20	30		CHEDRM
[O-]c1cc(Cl)c(C=NOC/C=C/Cl)cc1Cl	ZINC000811670150	1130633362	/nfs/dbraw/zinc/63/33/62/1130633362.db2.gz	YNVKROGOCGUAHL-XOWKLHRESA-N	-1	0	280.538	3.802	20	30		CHEDRM
O=C(/C=C\c1cc(Cl)c([O-])cc1Cl)c1cccnc1	ZINC000759074070	1130634995	/nfs/dbraw/zinc/63/49/95/1130634995.db2.gz	SIEGZCHYYYLRJA-ARJAWSKDSA-N	-1	0	294.137	3.990	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000759092217	1130636296	/nfs/dbraw/zinc/63/62/96/1130636296.db2.gz	WZHMZPDTXUOWKR-ALCCZGGFSA-N	-1	0	289.312	3.566	20	30		CHEDRM
N#CCc1c(F)cccc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001235030561	1130703577	/nfs/dbraw/zinc/70/35/77/1130703577.db2.gz	ZGWYHJGHAYPZRA-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
COc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1CC#N	ZINC001235458030	1130744960	/nfs/dbraw/zinc/74/49/60/1130744960.db2.gz	GFCNARXFOKEXFL-RUDMXATFSA-N	-1	0	293.322	3.526	20	30		CHEDRM
N#CCc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1F	ZINC001235531258	1130753017	/nfs/dbraw/zinc/75/30/17/1130753017.db2.gz	GAQREZPXKHKJGP-FPYGCLRLSA-N	-1	0	281.286	3.657	20	30		CHEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000782286381	1130768697	/nfs/dbraw/zinc/76/86/97/1130768697.db2.gz	JGPIYWGGJYPQGU-ZDUSSCGKSA-N	-1	0	294.782	3.540	20	30		CHEDRM
N#Cc1cc2c(nc1-c1cc(Cl)ccc1[O-])CCCC2	ZINC001245049012	1130772699	/nfs/dbraw/zinc/77/26/99/1130772699.db2.gz	DVGJPVVITQETPU-UHFFFAOYSA-N	-1	0	284.746	3.858	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2scnc2C2CC2)c([O-])c1	ZINC000782348165	1130773679	/nfs/dbraw/zinc/77/36/79/1130773679.db2.gz	PYRAVZMGRZMGBS-VOTSOKGWSA-N	-1	0	285.368	3.931	20	30		CHEDRM
N#CC1(c2ccccc2-c2ccc(C(=O)[O-])cc2)CCC1	ZINC001236063650	1130844237	/nfs/dbraw/zinc/84/42/37/1130844237.db2.gz	IKOCEDBCQHFZRP-UHFFFAOYSA-N	-1	0	277.323	3.997	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccccc1	ZINC000814684099	1130895367	/nfs/dbraw/zinc/89/53/67/1130895367.db2.gz	DFJMHMKWJNLFSH-UHFFFAOYSA-N	-1	0	262.353	3.900	20	30		CHEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc2ccccc2n1	ZINC000814697472	1130896422	/nfs/dbraw/zinc/89/64/22/1130896422.db2.gz	PTVQEYBXZMUHQO-DGCLKSJQSA-N	-1	0	297.358	3.524	20	30		CHEDRM
C[C@H]1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000814688987	1130900652	/nfs/dbraw/zinc/90/06/52/1130900652.db2.gz	QYWJLDYSGFOMDW-QMMMGPOBSA-N	-1	0	266.728	3.626	20	30		CHEDRM
Cc1cc(C)cc(N=NC(C)CC2(C(=O)[O-])CCC2)c1	ZINC000814753429	1130907868	/nfs/dbraw/zinc/90/78/68/1130907868.db2.gz	NFDNVDQPBQFAGL-UHFFFAOYSA-N	-1	0	274.364	3.736	20	30		CHEDRM
CC(C)(C#N)[C@@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000814768859	1130909980	/nfs/dbraw/zinc/90/99/80/1130909980.db2.gz	NZTNROQAXFJYAB-GFCCVEGCSA-N	-1	0	285.347	3.503	20	30		CHEDRM
C[C@@H]1CC(N=Nc2cccc3ncccc23)CC[C@H]1C(=O)[O-]	ZINC000814804150	1130918692	/nfs/dbraw/zinc/91/86/92/1130918692.db2.gz	BYQGWPLCNZLZPE-DGCLKSJQSA-N	-1	0	297.358	3.524	20	30		CHEDRM
CCC(CC)CNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814906268	1130934136	/nfs/dbraw/zinc/93/41/36/1130934136.db2.gz	MMLRSGPBYWWRSE-YPMHNXCESA-N	-1	0	282.428	3.525	20	30		CHEDRM
CC(=NNc1ccc(F)cc1C)c1csc(C(=O)[O-])c1	ZINC000814885243	1130937033	/nfs/dbraw/zinc/93/70/33/1130937033.db2.gz	SPLUJHLCAMIGHO-UHFFFAOYSA-N	-1	0	292.335	3.730	20	30		CHEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccccn1	ZINC000815907199	1131029593	/nfs/dbraw/zinc/02/95/93/1131029593.db2.gz	VIPPLRRJEAWKOS-PCRWRXJSSA-N	-1	0	272.323	3.692	20	30		CHEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccccn1	ZINC000815907198	1131029626	/nfs/dbraw/zinc/02/96/26/1131029626.db2.gz	VIPPLRRJEAWKOS-ODUNQGDFSA-N	-1	0	272.323	3.692	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1c(C)cc(C)cc1O	ZINC000799865234	1131110146	/nfs/dbraw/zinc/11/01/46/1131110146.db2.gz	XPYVNLQWEANJAH-UHFFFAOYSA-N	-1	0	298.342	3.543	20	30		CHEDRM
N#CCCN(Cc1cc(F)c([O-])c(Cl)c1)C1CCCC1	ZINC001237990861	1131158201	/nfs/dbraw/zinc/15/82/01/1131158201.db2.gz	ZPMMIDGATLQBOJ-UHFFFAOYSA-N	-1	0	296.773	3.843	20	30		CHEDRM
COc1cc(Nc2ccc(OCC#N)cc2)ccc1[S-]	ZINC001212611086	1131459176	/nfs/dbraw/zinc/45/91/76/1131459176.db2.gz	DDRQLMGKYVEQPP-UHFFFAOYSA-N	-1	0	286.356	3.630	20	30		CHEDRM
Cc1c(N=NC2CCC3(CC3)CC2)cccc1C(=O)[O-]	ZINC000844622556	1131585900	/nfs/dbraw/zinc/58/59/00/1131585900.db2.gz	FZAVJAOJTFYYKP-UHFFFAOYSA-N	-1	0	272.348	3.815	20	30		CHEDRM
C=CC[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000844623516	1131586176	/nfs/dbraw/zinc/58/61/76/1131586176.db2.gz	OHZXRKQZCBAPHI-GFCCVEGCSA-N	-1	0	272.348	3.837	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2)CC2(CCC2)C1	ZINC001144589461	1131661808	/nfs/dbraw/zinc/66/18/08/1131661808.db2.gz	NSYLEAYIUFIVOX-AWEZNQCLSA-N	-1	0	285.387	3.511	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC001144589738	1131662261	/nfs/dbraw/zinc/66/22/61/1131662261.db2.gz	SITIZAHLBJKMMG-KBPBESRZSA-N	-1	0	291.391	3.508	20	30		CHEDRM
C=C(C)CO[N-]C(=O)CSc1ccc2ccccc2c1	ZINC001144640304	1131669971	/nfs/dbraw/zinc/66/99/71/1131669971.db2.gz	QHAQLMWFLUKLID-UHFFFAOYSA-N	-1	0	287.384	3.556	20	30		CHEDRM
C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1cccc(C#N)c1	ZINC000834803524	1131706185	/nfs/dbraw/zinc/70/61/85/1131706185.db2.gz	VTCIBRVEQRSGOP-SEEODLKFSA-N	-1	0	293.297	3.786	20	30		CHEDRM
C=C(C)CO[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl	ZINC000846539292	1131714487	/nfs/dbraw/zinc/71/44/87/1131714487.db2.gz	DVVUFKKUUVITHB-SECBINFHSA-N	-1	0	288.174	3.721	20	30		CHEDRM
C[C@@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009940	1131753741	/nfs/dbraw/zinc/75/37/41/1131753741.db2.gz	IVSHUSCIRFIULA-GHMZBOCLSA-N	-1	0	278.327	3.748	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2C2CCC2)cc1F	ZINC000835009790	1131753889	/nfs/dbraw/zinc/75/38/89/1131753889.db2.gz	ZYAGJDQOHLGLIA-LLVKDONJSA-N	-1	0	276.311	3.502	20	30		CHEDRM
C[C@]12C[C@H]1CCCC2N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009160	1131754224	/nfs/dbraw/zinc/75/42/24/1131754224.db2.gz	OVIQSPBLKXKWLX-PSLIRLAXSA-N	-1	0	276.311	3.502	20	30		CHEDRM
CCCCCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010148	1131754807	/nfs/dbraw/zinc/75/48/07/1131754807.db2.gz	QFRXWTANMQGTAZ-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
C[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010214	1131754990	/nfs/dbraw/zinc/75/49/90/1131754990.db2.gz	TWANFSXQKWOJPR-VIFPVBQESA-N	-1	0	264.300	3.502	20	30		CHEDRM
Cc1[nH]c(C=NNc2ccc(C(C)C)cc2)cc1C(=O)[O-]	ZINC000835018225	1131757993	/nfs/dbraw/zinc/75/79/93/1131757993.db2.gz	JGLCGKDTUCSQFU-UHFFFAOYSA-N	-1	0	285.347	3.591	20	30		CHEDRM
CCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000835041722	1131762774	/nfs/dbraw/zinc/76/27/74/1131762774.db2.gz	ZWCWVFAZYHJORU-FPAJZGIOSA-N	-1	0	294.354	3.724	20	30		CHEDRM
Cc1ccc(C(=O)Nc2c(C#N)oc3ccccc32)c([O-])c1	ZINC001148491803	1131859921	/nfs/dbraw/zinc/85/99/21/1131859921.db2.gz	BTJKLIFCXICUSA-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
N#CCC1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC001140833757	1131942101	/nfs/dbraw/zinc/94/21/01/1131942101.db2.gz	HDWKOEYUBMEUJN-UHFFFAOYSA-N	-1	0	299.201	3.825	20	30		CHEDRM
CCCN(CCC#N)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140834749	1131942493	/nfs/dbraw/zinc/94/24/93/1131942493.db2.gz	XKRBRMZQMBLIFK-UHFFFAOYSA-N	-1	0	287.190	3.825	20	30		CHEDRM
Cc1ccc(F)c(C=CC(=O)c2sccc2[O-])c1	ZINC000773143298	1131961651	/nfs/dbraw/zinc/96/16/51/1131961651.db2.gz	QGRVOJOQMFIPFM-HYXAFXHYSA-N	-1	0	262.305	3.797	20	30		CHEDRM
CC(C)c1ncc(C=CC(=O)c2sccc2[O-])s1	ZINC000773148026	1131963260	/nfs/dbraw/zinc/96/32/60/1131963260.db2.gz	GIQSDTOFOUEUCL-ONEGZZNKSA-N	-1	0	279.386	3.930	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])ccc1C#N	ZINC000773150199	1131964067	/nfs/dbraw/zinc/96/40/67/1131964067.db2.gz	PFVPSBNUKVMNOT-HYXAFXHYSA-N	-1	0	269.325	3.530	20	30		CHEDRM
CCCC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228899923	1131975823	/nfs/dbraw/zinc/97/58/23/1131975823.db2.gz	BGDMJCLWIMCRDE-OAHLLOKOSA-N	-1	0	282.343	3.969	20	30		CHEDRM
CC1=CCC[C@H](C)[C@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000773180667	1131977942	/nfs/dbraw/zinc/97/79/42/1131977942.db2.gz	PSABMQQXMBTTTO-WFASDCNBSA-N	-1	0	272.348	3.775	20	30		CHEDRM
C[C@H](Oc1cc(Br)cc(C#N)c1)C1=CC=C[CH]1	ZINC001229282532	1132047862	/nfs/dbraw/zinc/04/78/62/1132047862.db2.gz	GXPNXCSXZVYAML-JTQLQIEISA-N	-1	0	289.152	3.789	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nc[n-]c(=O)c1Cl	ZINC001230019136	1132145371	/nfs/dbraw/zinc/14/53/71/1132145371.db2.gz	XZKAERCUAKNYJU-VWYCJHECSA-N	-1	0	282.771	3.595	20	30		CHEDRM
C#C[C@@H](Oc1cccc2oc(=S)[n-]c21)c1ccccc1	ZINC001231064334	1132250744	/nfs/dbraw/zinc/25/07/44/1132250744.db2.gz	DGBBRLZYYFBKBZ-GFCCVEGCSA-N	-1	0	281.336	3.870	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC001152996198	1132589785	/nfs/dbraw/zinc/58/97/85/1132589785.db2.gz	VZSQEFSLVJXEJM-UHFFFAOYSA-N	-1	0	253.729	3.586	20	30		CHEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])C1CCCCC1	ZINC001152999910	1132589838	/nfs/dbraw/zinc/58/98/38/1132589838.db2.gz	JQJRZRCQGIYSIS-GFCCVEGCSA-N	-1	0	286.375	3.809	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2n[n-]c(=O)cc2Cl)C1	ZINC001233587668	1132642563	/nfs/dbraw/zinc/64/25/63/1132642563.db2.gz	WOIMOASDFAGKFE-ZYHUDNBSSA-N	-1	0	280.755	3.515	20	30		CHEDRM
N#Cc1cc(Nc2ccc3[nH]ccc3c2)c([O-])cc1F	ZINC001173939839	1132651242	/nfs/dbraw/zinc/65/12/42/1132651242.db2.gz	ZONBLKOQLUJPLM-UHFFFAOYSA-N	-1	0	267.263	3.628	20	30		CHEDRM
C[C@@H](Oc1ccc2sc(C#N)nc2c1)C1=CC=C[CH]1	ZINC001233702766	1132665837	/nfs/dbraw/zinc/66/58/37/1132665837.db2.gz	BYPLZYMLHCLEJV-SNVBAGLBSA-N	-1	0	267.333	3.636	20	30		CHEDRM
CCC[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919301	1132698881	/nfs/dbraw/zinc/69/88/81/1132698881.db2.gz	FWHDJZPDZYAPFK-JSGCOSHPSA-N	-1	0	274.364	3.705	20	30		CHEDRM
Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1C#N	ZINC001174496449	1132862077	/nfs/dbraw/zinc/86/20/77/1132862077.db2.gz	MVARHNPQKJDGQV-SOFGYWHQSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496523	1132862955	/nfs/dbraw/zinc/86/29/55/1132862955.db2.gz	OQSLEOVYZQVTFM-QPJJXVBHSA-N	-1	0	282.274	3.539	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174499628	1132866238	/nfs/dbraw/zinc/86/62/38/1132866238.db2.gz	GYSXFGIAQNJTLV-CMDGGOBGSA-N	-1	0	278.311	3.708	20	30		CHEDRM
C=C1CCC(CNC(=O)c2cc(F)cc(Cl)c2[O-])CC1	ZINC001161784519	1133029494	/nfs/dbraw/zinc/02/94/94/1133029494.db2.gz	MNQSJRMPAXSVAY-UHFFFAOYSA-N	-1	0	297.757	3.661	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)C1c2ccccc2Oc2ccccc21	ZINC001164414590	1133218411	/nfs/dbraw/zinc/21/84/11/1133218411.db2.gz	RTEDSUMDLDGOFG-LBPRGKRZSA-N	-1	0	295.338	3.547	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292343	1133311498	/nfs/dbraw/zinc/31/14/98/1133311498.db2.gz	LHZVCJXHJLWUJT-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2c(F)cc(F)c(F)c2F)c1	ZINC001205186274	1133543151	/nfs/dbraw/zinc/54/31/51/1133543151.db2.gz	SLONXPQPVRARTQ-PTXOJBNSSA-N	-1	0	287.187	3.857	20	30		CHEDRM
N#CC1(c2cccc(-c3ccsc3C(=O)[O-])c2)CC1	ZINC001205580832	1133590336	/nfs/dbraw/zinc/59/03/36/1133590336.db2.gz	YWESWULKENHRCF-UHFFFAOYSA-N	-1	0	269.325	3.668	20	30		CHEDRM
N#CCCc1cccc(-c2csc(C(=O)[O-])c2)c1	ZINC001206278234	1133682101	/nfs/dbraw/zinc/68/21/01/1133682101.db2.gz	DIPVYYUKNXTUAS-UHFFFAOYSA-N	-1	0	257.314	3.569	20	30		CHEDRM
COc1ccc(Nc2cc(C#N)c(C)cc2C)cc1C(=O)[O-]	ZINC001209904349	1134098592	/nfs/dbraw/zinc/09/85/92/1134098592.db2.gz	HBVSDEIOHFKHRL-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
Cc1c(F)c(F)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210133677	1134154844	/nfs/dbraw/zinc/15/48/44/1134154844.db2.gz	ARZDZXRNTAJBKH-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
COc1cc(NC2=CC(=O)CC(C)(C)C2)ccc1[S-]	ZINC001210155672	1134158543	/nfs/dbraw/zinc/15/85/43/1134158543.db2.gz	CCTXRIPSNOGJQD-UHFFFAOYSA-N	-1	0	277.389	3.669	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(F)c(F)c2[O-])c1	ZINC001210391184	1134207685	/nfs/dbraw/zinc/20/76/85/1134207685.db2.gz	LXLURYYJUAPYNM-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
Cc1cc(C)c(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C#N	ZINC001210399536	1134209106	/nfs/dbraw/zinc/20/91/06/1134209106.db2.gz	RLPWATXNBUPECO-UHFFFAOYSA-N	-1	0	283.287	3.533	20	30		CHEDRM
Cc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1C#N	ZINC001210809605	1134301133	/nfs/dbraw/zinc/30/11/33/1134301133.db2.gz	XMVBYPBFJJXBBY-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1cccc([O-])c1Cl	ZINC001210854153	1134312113	/nfs/dbraw/zinc/31/21/13/1134312113.db2.gz	CXUPXYTWOZNKNU-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
N#Cc1cc(N)ccc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210931923	1134330836	/nfs/dbraw/zinc/33/08/36/1134330836.db2.gz	XMSRRLZXKGUEPD-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
N#Cc1cc(Nc2ccc3c(c2)C(=O)CCC3)c([O-])cc1F	ZINC001210933594	1134330869	/nfs/dbraw/zinc/33/08/69/1134330869.db2.gz	OWBROWFKYAYUOE-UHFFFAOYSA-N	-1	0	296.301	3.666	20	30		CHEDRM
N#Cc1cc(F)c(F)cc1Nc1cccc([S-])c1	ZINC001210948206	1134336472	/nfs/dbraw/zinc/33/64/72/1134336472.db2.gz	JXRNCHZVKKLHTM-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
N#Cc1c(F)ccc(Nc2cccc([S-])c2)c1F	ZINC001210950145	1134337416	/nfs/dbraw/zinc/33/74/16/1134337416.db2.gz	MOOLSUXUKMSAKY-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
CSc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001211065074	1134361016	/nfs/dbraw/zinc/36/10/16/1134361016.db2.gz	MHNDVSCGPNGKKA-UHFFFAOYSA-N	-1	0	274.320	3.868	20	30		CHEDRM
N#Cc1ccc(Nc2c(Cl)ccc([O-])c2Cl)c(N)c1	ZINC001213361574	1134443471	/nfs/dbraw/zinc/44/34/71/1134443471.db2.gz	RUCYRQAMFZYLOS-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
Cc1noc([N-]c2c(Cl)ccc(F)c2F)c1C#N	ZINC001213942948	1134497892	/nfs/dbraw/zinc/49/78/92/1134497892.db2.gz	MWCMEXHKTJBEGH-UHFFFAOYSA-N	-1	0	269.638	3.530	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C)cc1C#N	ZINC001214274990	1134526423	/nfs/dbraw/zinc/52/64/23/1134526423.db2.gz	KWLQXDJLRFRIKE-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccc1O	ZINC001214490033	1134544452	/nfs/dbraw/zinc/54/44/52/1134544452.db2.gz	NPCMWRPULLXZOS-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
CNc1ccc(C#N)cc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214489703	1134545372	/nfs/dbraw/zinc/54/53/72/1134545372.db2.gz	HWCMRJUBFHVHAQ-UHFFFAOYSA-N	-1	0	291.713	3.842	20	30		CHEDRM
COc1ccc(C)c(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001214631016	1134559249	/nfs/dbraw/zinc/55/92/49/1134559249.db2.gz	LNJYGZPTIAMPSK-UHFFFAOYSA-N	-1	0	290.269	3.603	20	30		CHEDRM
Cc1cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)ccc1C#N	ZINC001215469352	1134630468	/nfs/dbraw/zinc/63/04/68/1134630468.db2.gz	SHSWQSSEDHKOOK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(Nc2c(F)cc(C(=O)[O-])cc2F)ccc1C#N	ZINC001215614664	1134654579	/nfs/dbraw/zinc/65/45/79/1134654579.db2.gz	PGZLPFGJMNBWIK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1c(Cl)c(Nc2ccccc2C#N)ccc1C(=O)[O-]	ZINC001215692741	1134660806	/nfs/dbraw/zinc/66/08/06/1134660806.db2.gz	OMRRAVARBXZRKE-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)s1	ZINC001215696032	1134660881	/nfs/dbraw/zinc/66/08/81/1134660881.db2.gz	IAGUTRWGTNIMAF-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
Cc1cc(F)cc(C)c1Nc1scc([O-])c1C#N	ZINC001215962613	1134733746	/nfs/dbraw/zinc/73/37/46/1134733746.db2.gz	AWJWIQOOBNBKDL-UHFFFAOYSA-N	-1	0	262.309	3.825	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1cc([O-])c(F)c(F)c1	ZINC001216128045	1134787003	/nfs/dbraw/zinc/78/70/03/1134787003.db2.gz	AJUVKIAQRFKXJL-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)cc2)cc(C)c1C(=O)[O-]	ZINC001216311922	1134846602	/nfs/dbraw/zinc/84/66/02/1134846602.db2.gz	VDKHQTIQDNOGNP-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(Nc2cccc(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001216311485	1134847090	/nfs/dbraw/zinc/84/70/90/1134847090.db2.gz	KVRZYYHNPONXDW-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1c(Nc2ccc(C(C)(C)C#N)nc2)cccc1C(=O)[O-]	ZINC001216656627	1134940230	/nfs/dbraw/zinc/94/02/30/1134940230.db2.gz	CRQHFVBNYVNYDM-UHFFFAOYSA-N	-1	0	295.342	3.633	20	30		CHEDRM
N#Cc1ccc(-c2nc(-c3ccccc3Cl)no2)c([O-])c1	ZINC001217040136	1134959527	/nfs/dbraw/zinc/95/95/27/1134959527.db2.gz	QOPIMBFGRAICQA-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
N#CCc1ccc(F)c(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222412304	1135238483	/nfs/dbraw/zinc/23/84/83/1135238483.db2.gz	JKTCYHJEBFBYER-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#CCc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ccc1F	ZINC001222690181	1135264692	/nfs/dbraw/zinc/26/46/92/1135264692.db2.gz	CRGUPGZCTVMACS-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
CC(C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222939706	1135286260	/nfs/dbraw/zinc/28/62/60/1135286260.db2.gz	HUNBHPMGJJPOAX-GDNBJRDFSA-N	-1	0	263.671	3.536	20	30		CHEDRM
[O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@@H]1C=CCC1	ZINC001222939047	1135286472	/nfs/dbraw/zinc/28/64/72/1135286472.db2.gz	RNDIZBOXOKTKMP-VGGUHSJCSA-N	-1	0	287.693	3.846	20	30		CHEDRM
C=CC(C=C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940354	1135286760	/nfs/dbraw/zinc/28/67/60/1135286760.db2.gz	RZMWKWDPVWPPLH-ATVHPVEESA-N	-1	0	287.693	3.868	20	30		CHEDRM
[O-]/N=C(\O[C@@H]1CC(F)(F)C1(F)F)c1ccc(Cl)cc1	ZINC001223592837	1135363259	/nfs/dbraw/zinc/36/32/59/1135363259.db2.gz	FWJIQWCDPHRCFD-SEPNWTMDSA-N	-1	0	297.635	3.535	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccco1	ZINC001223593116	1135364198	/nfs/dbraw/zinc/36/41/98/1135364198.db2.gz	IHHJQGLQTVAJMH-ZVNCQBAKSA-N	-1	0	265.696	3.847	20	30		CHEDRM
COc1ccc(OC)c(/C(=N/[O-])OC2CCCCCC2)c1	ZINC001223893694	1135395678	/nfs/dbraw/zinc/39/56/78/1135395678.db2.gz	ZLCBABBVZVVNDL-MSUUIHNZSA-N	-1	0	293.363	3.579	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1	ZINC001225490311	1135575760	/nfs/dbraw/zinc/57/57/60/1135575760.db2.gz	HIIMUMCGTIRWQF-DOMZBBRYSA-N	-1	0	289.331	3.980	20	30		CHEDRM
C=CC[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001225489984	1135575780	/nfs/dbraw/zinc/57/57/80/1135575780.db2.gz	FBDFLZJTVYZJCN-OAHLLOKOSA-N	-1	0	285.299	3.997	20	30		CHEDRM
C[C@H](Oc1ccc(C#N)cc1Br)C1=CC=C[CH]1	ZINC001225766513	1135619516	/nfs/dbraw/zinc/61/95/16/1135619516.db2.gz	CJIHNXCFAWTGHS-JTQLQIEISA-N	-1	0	289.152	3.789	20	30		CHEDRM
C[C@@H](Oc1cccc(/C=N/[O-])c1)c1c(F)cccc1F	ZINC001226109923	1135663125	/nfs/dbraw/zinc/66/31/25/1135663125.db2.gz	LKCALBCRGQTLMJ-SVXRXWARSA-N	-1	0	277.270	3.913	20	30		CHEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c(C)c1	ZINC001226222916	1135673988	/nfs/dbraw/zinc/67/39/88/1135673988.db2.gz	JSLRKGYUUUJDLI-ZDUSSCGKSA-N	-1	0	282.343	3.724	20	30		CHEDRM
C=C[C@@H](Oc1cc(O)ccc1C(=O)COC)c1ccccc1	ZINC001227169979	1135793961	/nfs/dbraw/zinc/79/39/61/1135793961.db2.gz	BAQDHTHHAWFJPP-QGZVFWFLSA-N	-1	0	298.338	3.527	20	30		CHEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000355290863	227592020	/nfs/dbraw/zinc/59/20/20/227592020.db2.gz	BOIKCULSKNKOFO-SECBINFHSA-N	-1	0	299.380	3.551	20	30		CHEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000285775011	263095556	/nfs/dbraw/zinc/09/55/56/263095556.db2.gz	JPQFZSGYXMFLQM-GFCCVEGCSA-N	-1	0	287.146	3.577	20	30		CHEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000342465369	263437103	/nfs/dbraw/zinc/43/71/03/263437103.db2.gz	VCOFOUJPRJNCIC-NSHDSACASA-N	-1	0	280.283	3.528	20	30		CHEDRM
CCCCCCCC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000268940355	328187156	/nfs/dbraw/zinc/18/71/56/328187156.db2.gz	RQDUNDHEYBNQOQ-UHFFFAOYSA-N	-1	0	295.379	3.605	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ns1	ZINC000562594833	327496493	/nfs/dbraw/zinc/49/64/93/327496493.db2.gz	WCJYVAZWLZYQOK-SECBINFHSA-N	-1	0	299.380	3.551	20	30		CHEDRM
C=CCC[C@H](CC)Nc1cccc(CCC(=O)[O-])c1	ZINC000263527748	330058883	/nfs/dbraw/zinc/05/88/83/330058883.db2.gz	UUNYCZMPMMMALZ-AWEZNQCLSA-N	-1	0	261.365	3.861	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2scnc2C(C)C)n1	ZINC000453580310	331134866	/nfs/dbraw/zinc/13/48/66/331134866.db2.gz	BWVPFYCFICTMBC-SECBINFHSA-N	-1	0	291.401	3.522	20	30		CHEDRM
CC/C=C\CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000469554996	331453980	/nfs/dbraw/zinc/45/39/80/331453980.db2.gz	VNFCRWGRVKOTSY-SREVYHEPSA-N	-1	0	275.396	3.699	20	30		CHEDRM
C=CCCc1ccc(-c2nc3n(c2C(=O)[O-])CCCC3)cc1	ZINC000575816073	335118583	/nfs/dbraw/zinc/11/85/83/335118583.db2.gz	KXHJKDLDMVXSOW-UHFFFAOYSA-N	-1	0	296.370	3.703	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)[O-])s1	ZINC000564350681	334156292	/nfs/dbraw/zinc/15/62/92/334156292.db2.gz	NYGTUCVNIHUCDH-WMLDXEAASA-N	-1	0	295.363	3.575	20	30		CHEDRM
C=C(C)CN(CC)[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000568061318	334788822	/nfs/dbraw/zinc/78/88/22/334788822.db2.gz	BYCWXGKGOMDHOX-CYBMUJFWSA-N	-1	0	285.746	3.503	20	30		CHEDRM
O=C(N=c1cn[n-]s1)N1CCC[C@@H]1CCC1CCCC1	ZINC000330256205	534331577	/nfs/dbraw/zinc/33/15/77/534331577.db2.gz	KKSYNYCEAKVOIO-GFCCVEGCSA-N	-1	0	294.424	3.518	20	30		CHEDRM
Cc1cc(F)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000731317593	599968634	/nfs/dbraw/zinc/96/86/34/599968634.db2.gz	AXOQJTURWASSLM-WTKPLQERSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(C)c1ccsc1C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000330565858	600050627	/nfs/dbraw/zinc/05/06/27/600050627.db2.gz	GFNHNPLBELZVEJ-UHFFFAOYSA-N	-1	0	295.404	3.820	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000730436732	600139187	/nfs/dbraw/zinc/13/91/87/600139187.db2.gz	LRQJNUYRUXUWDM-VMPITWQZSA-N	-1	0	280.323	3.898	20	30		CHEDRM
CCCCCCCOC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000829358026	600730914	/nfs/dbraw/zinc/73/09/14/600730914.db2.gz	XMXYJAJMJDXBGS-UHFFFAOYSA-N	-1	0	295.335	3.609	20	30		CHEDRM
C[C@H](Sc1ccccc1C#N)c1ccc(C(=O)[O-])o1	ZINC000736712166	600935127	/nfs/dbraw/zinc/93/51/27/600935127.db2.gz	JEPYYLKYLMBFMT-VIFPVBQESA-N	-1	0	273.313	3.703	20	30		CHEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)[nH]1	ZINC000833094672	601444776	/nfs/dbraw/zinc/44/47/76/601444776.db2.gz	JWZBEHMKBVDJCR-CSKARUKUSA-N	-1	0	291.306	3.762	20	30		CHEDRM
CC1(C)CCC/C(=C\c2ccc(C(=O)[O-])cc2)C1=O	ZINC000757533651	601844703	/nfs/dbraw/zinc/84/47/03/601844703.db2.gz	GJGKHZCGVDKPON-JLHYYAGUSA-N	-1	0	258.317	3.547	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000825659901	602142935	/nfs/dbraw/zinc/14/29/35/602142935.db2.gz	KKXNHJXALGDGTD-UHFFFAOYSA-N	-1	0	292.310	3.623	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1	ZINC000833309929	604630751	/nfs/dbraw/zinc/63/07/51/604630751.db2.gz	JKHPUIJYAVKPCQ-HJWRWDBZSA-N	-1	0	288.249	3.559	20	30		CHEDRM
CC(N=Nc1ccc(Cl)nc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814858596	604640798	/nfs/dbraw/zinc/64/07/98/604640798.db2.gz	DCYKBEXEARMBMU-JTQLQIEISA-N	-1	0	297.786	3.804	20	30		CHEDRM
C=CCC[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000833373728	605118007	/nfs/dbraw/zinc/11/80/07/605118007.db2.gz	ZMRIUERLLXSRQF-AWEZNQCLSA-N	-1	0	289.331	3.678	20	30		CHEDRM
C[C@H](Nc1cccc(NC(=O)[O-])c1)c1cccc(C#N)c1	ZINC000833524643	605206610	/nfs/dbraw/zinc/20/66/10/605206610.db2.gz	HQUVMEULTQTWKV-NSHDSACASA-N	-1	0	281.315	3.821	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C)c(C)c1O	ZINC000728155433	605594490	/nfs/dbraw/zinc/59/44/90/605594490.db2.gz	LPJHWKUEYPHLRY-UHFFFAOYSA-N	-1	0	298.342	3.543	20	30		CHEDRM
C#CCCCCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000833361850	605606977	/nfs/dbraw/zinc/60/69/77/605606977.db2.gz	OVYOMESVBXQUAE-UHFFFAOYSA-N	-1	0	293.750	3.560	20	30		CHEDRM
Cc1cc(F)c(C#N)c(N[C@@H](CCC(C)(C)C)C(=O)[O-])c1	ZINC001594308984	957995692	/nfs/dbraw/zinc/99/56/92/957995692.db2.gz	IYNSELJMNLRDNF-ZDUSSCGKSA-N	-1	0	292.354	3.697	20	30		CHEDRM
C=CCCC1(CNC(=O)C(CC)(CC)C(=O)[O-])CCCC1	ZINC001573328229	958497730	/nfs/dbraw/zinc/49/77/30/958497730.db2.gz	DHQFMBXUXOIDIW-UHFFFAOYSA-N	-1	0	295.423	3.520	20	30		CHEDRM
C=C(C)C[C@H](Nc1cc(C(C)C)nc(C(C)C)n1)C(=O)[O-]	ZINC001573324612	962787404	/nfs/dbraw/zinc/78/74/04/962787404.db2.gz	VUGFCCNKEWICQB-ZDUSSCGKSA-N	-1	0	291.395	3.555	20	30		CHEDRM
C=CC1(CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])CCCCC1	ZINC001573350140	962965510	/nfs/dbraw/zinc/96/55/10/962965510.db2.gz	CRQZBPHVRAMKDG-CYBMUJFWSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=CC[C@@H](S[C@@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001573352386	962985073	/nfs/dbraw/zinc/98/50/73/962985073.db2.gz	BDLQSKWHKXAYSN-GXFFZTMASA-N	-1	0	266.362	3.519	20	30		CHEDRM
C=CCCCC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001573357741	963020088	/nfs/dbraw/zinc/02/00/88/963020088.db2.gz	RQWQVILYEGTNKB-OAHLLOKOSA-N	-1	0	288.343	3.662	20	30		CHEDRM
CO[C@@H](c1ccccc1)C(C)N=Nc1cccc(C(=O)[O-])c1	ZINC000782112467	978791646	/nfs/dbraw/zinc/79/16/46/978791646.db2.gz	ZRFVVGAYWRSAHE-MRXNPFEDSA-N	-1	0	298.342	3.560	20	30		CHEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C\c1cccc(C(=O)[O-])c1	ZINC000809155665	978853789	/nfs/dbraw/zinc/85/37/89/978853789.db2.gz	CSYRWNLZUSPCDM-FFCYNSPCSA-N	-1	0	278.307	3.768	20	30		CHEDRM
Cc1cc(C)cc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814753593	978880331	/nfs/dbraw/zinc/88/03/31/978880331.db2.gz	QVBCXXXIVFYZNB-QWHCGFSZSA-N	-1	0	274.364	3.592	20	30		CHEDRM
C[C@H]1C(N=Nc2c(F)cccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814905564	978898026	/nfs/dbraw/zinc/89/80/26/978898026.db2.gz	ZDWNYDUMAQLPQP-BDAKNGLRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
CC(=NN[C@@H](C)C(C)(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814937928	978899460	/nfs/dbraw/zinc/89/94/60/978899460.db2.gz	RUUXTGIOIDFVIZ-AAEUAGOBSA-N	-1	0	270.417	3.668	20	30		CHEDRM
C=C[C@@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910700780	982071052	/nfs/dbraw/zinc/07/10/52/982071052.db2.gz	MFFQIZCYYVVNBB-AWEZNQCLSA-N	-1	0	296.392	3.506	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001595705055	982282690	/nfs/dbraw/zinc/28/26/90/982282690.db2.gz	OVLWSEINKILLMR-ZFWWWQNUSA-N	-1	0	295.423	3.663	20	30		CHEDRM
C=C(CC(C)C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC001588605820	983694700	/nfs/dbraw/zinc/69/47/00/983694700.db2.gz	OVTJWZVUQWVOJQ-UHFFFAOYSA-N	-1	0	296.392	3.506	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1	ZINC001588606289	983696783	/nfs/dbraw/zinc/69/67/83/983696783.db2.gz	VEHDPLJIJQKOKV-VQHVLOKHSA-N	-1	0	297.310	3.663	20	30		CHEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1	ZINC001588629359	983736890	/nfs/dbraw/zinc/73/68/90/983736890.db2.gz	IPYRZDYZZCNCEZ-UHFFFAOYSA-N	-1	0	295.338	3.713	20	30		CHEDRM
C=C[C@@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccc1	ZINC001588663439	983795018	/nfs/dbraw/zinc/79/50/18/983795018.db2.gz	GJCIARQCMNBEBC-OAHLLOKOSA-N	-1	0	295.338	3.602	20	30		CHEDRM
C=CC(C)(C)CCOC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588677149	983834134	/nfs/dbraw/zinc/83/41/34/983834134.db2.gz	UGFOJELIUZXMCX-UHFFFAOYSA-N	-1	0	294.391	3.557	20	30		CHEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588736209	984023402	/nfs/dbraw/zinc/02/34/02/984023402.db2.gz	UTVKXKVYYBEMRU-LLVKDONJSA-N	-1	0	298.342	3.624	20	30		CHEDRM
C=CC[C@@H](Sc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC001588757998	984104901	/nfs/dbraw/zinc/10/49/01/984104901.db2.gz	DMPMRDULYFLZDX-SNVBAGLBSA-N	-1	0	260.717	3.601	20	30		CHEDRM
C=CC[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC001588758982	984108611	/nfs/dbraw/zinc/10/86/11/984108611.db2.gz	MXVIUTLXGBAVAQ-MRVPVSSYSA-N	-1	0	271.407	3.562	20	30		CHEDRM
C=CC[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)[O-]	ZINC001588759117	984109473	/nfs/dbraw/zinc/10/94/73/984109473.db2.gz	PQZWJVWERAFRHH-GFCCVEGCSA-N	-1	0	293.319	3.602	20	30		CHEDRM
C=CCC1(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)CCCC1	ZINC001588764994	984124778	/nfs/dbraw/zinc/12/47/78/984124778.db2.gz	OTJXRTJNDLPORB-NSHDSACASA-N	-1	0	292.331	3.719	20	30		CHEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCC1	ZINC001588765179	984125403	/nfs/dbraw/zinc/12/54/03/984125403.db2.gz	SNROARQILIYQQN-UHFFFAOYSA-N	-1	0	293.750	3.723	20	30		CHEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001588771015	984137562	/nfs/dbraw/zinc/13/75/62/984137562.db2.gz	LHFQUTNZCDEINJ-SNVBAGLBSA-N	-1	0	276.311	3.668	20	30		CHEDRM
C=CCCCN(CC)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588801632	984246105	/nfs/dbraw/zinc/24/61/05/984246105.db2.gz	PLJJPBYALBNING-UHFFFAOYSA-N	-1	0	290.363	3.513	20	30		CHEDRM
C=CCCN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588806069	984258061	/nfs/dbraw/zinc/25/80/61/984258061.db2.gz	ZYGLNIHMWFATER-UHFFFAOYSA-N	-1	0	298.342	3.578	20	30		CHEDRM
C=CCOc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)cc1	ZINC001588874589	984448599	/nfs/dbraw/zinc/44/85/99/984448599.db2.gz	BPVXCDBCGCOZKD-XVNBXDOJSA-N	-1	0	281.311	3.515	20	30		CHEDRM
CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(O)c(C)c1	ZINC001589016499	984995581	/nfs/dbraw/zinc/99/55/81/984995581.db2.gz	QMNBEPRYGXMCLJ-UHFFFAOYSA-N	-1	0	298.342	3.543	20	30		CHEDRM
CC(C)(C#N)c1ccc(CNc2cccc(C(=O)[O-])c2)cc1	ZINC001589557766	987307737	/nfs/dbraw/zinc/30/77/37/987307737.db2.gz	GYOYUBYYDXAKTC-UHFFFAOYSA-N	-1	0	294.354	3.798	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)c(F)c1Cl	ZINC001174807893	1121054589	/nfs/dbraw/zinc/05/45/89/1121054589.db2.gz	LMEFWOGCDTXKBW-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
C[C@H]1CCC[C@@H](CN=Nc2cccc(F)c2C(=O)[O-])C1	ZINC001594345153	999305277	/nfs/dbraw/zinc/30/52/77/999305277.db2.gz	NPIAHLHMFMPFKN-WDEREUQCSA-N	-1	0	278.327	3.748	20	30		CHEDRM
Cc1csc([C@H](C#N)C(=O)c2ccc(C)c(C)c2)n1	ZINC000041519700	1125433488	/nfs/dbraw/zinc/43/34/88/1125433488.db2.gz	ZRGZZVNFIFSHHS-CYBMUJFWSA-N	-1	0	270.357	3.558	20	30		CHEDRM
Cc1nc(O[C@@H](C)C2=CC=C[CH]2)c(C#N)c(C)c1Cl	ZINC001227828388	1131747686	/nfs/dbraw/zinc/74/76/86/1131747686.db2.gz	PWYNZNUVGBZRBR-NSHDSACASA-N	-1	0	273.743	3.691	20	30		CHEDRM
C#Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1F	ZINC001211965096	1125531751	/nfs/dbraw/zinc/53/17/51/1125531751.db2.gz	NZLMTJXSYQPWED-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(OC(F)F)c1	ZINC001212055886	1125672711	/nfs/dbraw/zinc/67/27/11/1125672711.db2.gz	ANSXROICZZTXPB-UHFFFAOYSA-N	-1	0	282.271	3.670	20	30		CHEDRM
N#CCc1ccnc(-c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC001242850810	1130091667	/nfs/dbraw/zinc/09/16/67/1130091667.db2.gz	ACMPXPSGJUSXEG-UHFFFAOYSA-N	-1	0	279.126	3.827	20	30		CHEDRM
Cc1ccc(C)c(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001202770987	1126778560	/nfs/dbraw/zinc/77/85/60/1126778560.db2.gz	YLEFOSFGHXFFGN-UHFFFAOYSA-N	-1	0	299.305	3.664	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000909288567	1127032565	/nfs/dbraw/zinc/03/25/65/1127032565.db2.gz	KLWMUDYSAJGFQJ-UHFFFAOYSA-N	-1	0	289.375	3.590	20	30		CHEDRM
COc1ccccc1/C=C/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000156630260	1127163075	/nfs/dbraw/zinc/16/30/75/1127163075.db2.gz	NWWXPSXGYWBTCY-JHMJBTLWSA-N	-1	0	296.322	3.559	20	30		CHEDRM
CC[C@@H](Cc1cccc(-c2csc(C#N)c2)c1)C(=O)[O-]	ZINC000594871982	1127431374	/nfs/dbraw/zinc/43/13/74/1127431374.db2.gz	LRCNTOMQQSTFDU-LBPRGKRZSA-N	-1	0	285.368	3.940	20	30		CHEDRM
N#CC(=C([O-])C1=CCCC1)c1nc2cc(F)ccc2s1	ZINC000761166161	1127488302	/nfs/dbraw/zinc/48/83/02/1127488302.db2.gz	JSPOUYDDGLADAK-NSHDSACASA-N	-1	0	286.331	3.722	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000293453095	1127502071	/nfs/dbraw/zinc/50/20/71/1127502071.db2.gz	NAPPAWMPJMSGTM-UHFFFAOYSA-N	-1	0	253.729	3.586	20	30		CHEDRM
CCC[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000173915749	1127860251	/nfs/dbraw/zinc/86/02/51/1127860251.db2.gz	YTPPHODUAQWQND-RISCZKNCSA-N	-1	0	296.370	3.804	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(C)ccc1F	ZINC000763340655	1128393010	/nfs/dbraw/zinc/39/30/10/1128393010.db2.gz	XFWDSHXTNVITEN-UHFFFAOYSA-N	-1	0	286.306	3.668	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cc3ccccc3o2)c1	ZINC000915980003	1128399620	/nfs/dbraw/zinc/39/96/20/1128399620.db2.gz	WEGMVJLWNSDZOC-RQZCQDPDSA-N	-1	0	296.282	3.666	20	30		CHEDRM
O=C([O-])c1cccc(NN=Cc2ccc3ccccc3c2)c1	ZINC000916255276	1128412512	/nfs/dbraw/zinc/41/25/12/1128412512.db2.gz	NZKBCNKHFJSCGQ-UHFFFAOYSA-N	-1	0	290.322	3.984	20	30		CHEDRM
N#CC(=C([O-])c1cccc(Cl)c1)c1nc2ccccc2o1	ZINC000041546252	1128547427	/nfs/dbraw/zinc/54/74/27/1128547427.db2.gz	NKNDSFZGXLZBKS-GFCCVEGCSA-N	-1	0	296.713	3.971	20	30		CHEDRM
C/C=C/c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000570080856	1128615236	/nfs/dbraw/zinc/61/52/36/1128615236.db2.gz	OUGTZEZSBBTZFC-NSCUHMNNSA-N	-1	0	278.311	3.549	20	30		CHEDRM
C/C(=C/c1ccc(C)cc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000778942382	1128670859	/nfs/dbraw/zinc/67/08/59/1128670859.db2.gz	HDHKTEVRTBLNKB-LCYFTJDESA-N	-1	0	292.338	3.614	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3c(c2)CCC3)c1	ZINC000920942369	1128695395	/nfs/dbraw/zinc/69/53/95/1128695395.db2.gz	AJDNXELSJSGNLP-UHFFFAOYSA-N	-1	0	282.299	3.540	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=Nc1cccc(CO)c1	ZINC000920944360	1128696260	/nfs/dbraw/zinc/69/62/60/1128696260.db2.gz	CCVWNKTUKFLLHL-UHFFFAOYSA-N	-1	0	296.153	3.942	20	30		CHEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048408097	1128707508	/nfs/dbraw/zinc/70/75/08/1128707508.db2.gz	VYLVKZHKTVLRKC-LLVKDONJSA-N	-1	0	291.372	3.531	20	30		CHEDRM
O=C(/C=C/c1ccc(F)cc1F)c1ccccc1[O-]	ZINC000064539678	1128725344	/nfs/dbraw/zinc/72/53/44/1128725344.db2.gz	PSRVYCAIOIMQNY-SOFGYWHQSA-N	-1	0	260.239	3.567	20	30		CHEDRM
N#C[C@H](C(=O)C=Cc1ccc(Cl)s1)c1ccccn1	ZINC000049457322	1117749173	/nfs/dbraw/zinc/74/91/73/1117749173.db2.gz	HPXNFAWHLJUREG-MALLOTDXSA-N	-1	0	288.759	3.686	20	30		CHEDRM
O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc([O-])c(F)c1	ZINC000170851787	1128740697	/nfs/dbraw/zinc/74/06/97/1128740697.db2.gz	ZXUVSJUVXWTYLY-DAFODLJHSA-N	-1	0	292.693	3.786	20	30		CHEDRM
O=C1c2ccc(F)cc2C/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000254959846	1117920396	/nfs/dbraw/zinc/92/03/96/1117920396.db2.gz	PWBKPNZAADLQTA-XCVCLJGOSA-N	-1	0	290.240	3.632	20	30		CHEDRM
Oc1ccc(C=Nc2cccc(C(F)(F)F)c2)c(O)c1O	ZINC000255049405	1118044494	/nfs/dbraw/zinc/04/44/94/1118044494.db2.gz	XLQFEUOSDPVIIA-UHFFFAOYSA-N	-1	0	297.232	3.573	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOCC(F)(F)F	ZINC000764836474	1118120878	/nfs/dbraw/zinc/12/08/78/1118120878.db2.gz	UIBUETJCDJXUHM-UHFFFAOYSA-N	-1	0	288.052	3.612	20	30		CHEDRM
CC(C)(C)n1cc(C#N)cc1Nc1ccccc1C(=O)[O-]	ZINC001210969257	1118433348	/nfs/dbraw/zinc/43/33/48/1118433348.db2.gz	JXEIWVUYIGBNBH-UHFFFAOYSA-N	-1	0	283.331	3.557	20	30		CHEDRM
N#Cc1cc(Nc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1	ZINC001211330346	1118505012	/nfs/dbraw/zinc/50/50/12/1118505012.db2.gz	SBSKNVCBHWRORL-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1C1CC1)c1nc2ccccc2o1	ZINC000342649003	1119111797	/nfs/dbraw/zinc/11/17/97/1119111797.db2.gz	FSJATEBXMVUEIP-LBPRGKRZSA-N	-1	0	292.294	3.788	20	30		CHEDRM
Cc1cc(Nc2c(F)ccc(F)c2C#N)cc(C(=O)[O-])c1	ZINC001211549306	1119116234	/nfs/dbraw/zinc/11/62/34/1119116234.db2.gz	JMCGGVFMLAPFKK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000685020245	1119202357	/nfs/dbraw/zinc/20/23/57/1119202357.db2.gz	VWVRMNBERAUDSX-VIFPVBQESA-N	-1	0	281.739	3.579	20	30		CHEDRM
Cc1ccc(Nc2cc(F)c(F)c(C#N)c2)cc1C(=O)[O-]	ZINC001211606321	1119454369	/nfs/dbraw/zinc/45/43/69/1119454369.db2.gz	MNUFNEITRWZYGC-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C[C@@H](C#N)Oc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588590442	1119490436	/nfs/dbraw/zinc/49/04/36/1119490436.db2.gz	YHIRWDCVKMRDCR-IBHLPDHGSA-N	-1	0	299.351	3.641	20	30		CHEDRM
O=C(/C=C\c1sccc1Cl)c1ccc(O)cc1[O-]	ZINC000588601400	1119536495	/nfs/dbraw/zinc/53/64/95/1119536495.db2.gz	YSVUQWRYNVDNPD-ARJAWSKDSA-N	-1	0	280.732	3.709	20	30		CHEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2C)c(C#N)c1	ZINC001211622408	1119582245	/nfs/dbraw/zinc/58/22/45/1119582245.db2.gz	CPTZPKCVSVGZOA-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)c(F)c(C#N)c1	ZINC001211626729	1119636474	/nfs/dbraw/zinc/63/64/74/1119636474.db2.gz	UJNYVSJSGRUVAS-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(F)ccc(F)c1C#N	ZINC001211626832	1119637735	/nfs/dbraw/zinc/63/77/35/1119637735.db2.gz	YYTMXBOLNLMCBA-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cscc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378431	1119709409	/nfs/dbraw/zinc/70/94/09/1119709409.db2.gz	YYZLYDXFIWIEAL-SNVBAGLBSA-N	-1	0	288.397	3.881	20	30		CHEDRM
CCc1ccsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000066516515	1119902484	/nfs/dbraw/zinc/90/24/84/1119902484.db2.gz	AAKYULURHOWNOY-NSHDSACASA-N	-1	0	296.351	3.942	20	30		CHEDRM
C[C@H](Nc1ccccc1/C=C/C(=O)[O-])c1cccc(C#N)c1	ZINC001167710555	1120074181	/nfs/dbraw/zinc/07/41/81/1120074181.db2.gz	NWERXZMZFABBDF-LXKVQUBZSA-N	-1	0	292.338	3.829	20	30		CHEDRM
CC(C)(C)c1ncc(/C=C2/Cc3cc(O)ccc3C2=O)s1	ZINC000588535108	1120098965	/nfs/dbraw/zinc/09/89/65/1120098965.db2.gz	MYMMZHHFQLLACV-FLIBITNWSA-N	-1	0	299.395	3.969	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\CCc3ccccc3C2=O)c1	ZINC000765823691	1120111021	/nfs/dbraw/zinc/11/10/21/1120111021.db2.gz	HAPWTSADMFLFNN-GXDHUFHOSA-N	-1	0	278.307	3.597	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1	ZINC000765826685	1120112933	/nfs/dbraw/zinc/11/29/33/1120112933.db2.gz	SHAMBMCUAXVQPX-RUDMXATFSA-N	-1	0	286.714	3.934	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(C)c1	ZINC001211657436	1120575867	/nfs/dbraw/zinc/57/58/67/1120575867.db2.gz	NERBBHGUJMEGEK-UHFFFAOYSA-N	-1	0	280.327	3.871	20	30		CHEDRM
O=C(C=Cc1cc(F)c(F)c(F)c1)c1sccc1[O-]	ZINC000756624289	1120622771	/nfs/dbraw/zinc/62/27/71/1120622771.db2.gz	XQCNDTVEIGFVHC-OWOJBTEDSA-N	-1	0	284.258	3.767	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC(C)(C)C[C@@H]1C	ZINC000766030562	1120674066	/nfs/dbraw/zinc/67/40/66/1120674066.db2.gz	VRZIPZNVZBAQML-JTQLQIEISA-N	-1	0	290.363	3.617	20	30		CHEDRM
CSc1cc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000663358255	1120946666	/nfs/dbraw/zinc/94/66/66/1120946666.db2.gz	APYMPIAMCAYSIP-SECBINFHSA-N	-1	0	292.385	3.565	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1F	ZINC001212515855	1121019079	/nfs/dbraw/zinc/01/90/79/1121019079.db2.gz	RSCXBSRTKCTICC-UHFFFAOYSA-N	-1	0	291.228	3.527	20	30		CHEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])s2)c(Cl)c1	ZINC001174807010	1121055220	/nfs/dbraw/zinc/05/52/20/1121055220.db2.gz	GTIBVKQFLGPSRY-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1Cl	ZINC001174952525	1121109575	/nfs/dbraw/zinc/10/95/75/1121109575.db2.gz	UJESFTDVVIAULK-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cc(C(=O)[O-])ccc1C	ZINC001174982616	1121141457	/nfs/dbraw/zinc/14/14/57/1121141457.db2.gz	PKFYOASWEHPLQX-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)c(F)c(C#N)c1	ZINC001174984363	1121142554	/nfs/dbraw/zinc/14/25/54/1121142554.db2.gz	LXHFFYKAFXKFDR-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1	ZINC000619095328	1128966099	/nfs/dbraw/zinc/96/60/99/1128966099.db2.gz	RGGJFERXTUHWHE-DSEBWEOJSA-N	-1	0	291.354	3.869	20	30		CHEDRM
CCCCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000236841187	1121163016	/nfs/dbraw/zinc/16/30/16/1121163016.db2.gz	FHLVBKCEBPUEKN-LBPRGKRZSA-N	-1	0	297.420	3.741	20	30		CHEDRM
CSc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175285451	1121253628	/nfs/dbraw/zinc/25/36/28/1121253628.db2.gz	SOXPHLJHCONRDY-UHFFFAOYSA-N	-1	0	274.320	3.868	20	30		CHEDRM
CCOc1c(F)cccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001212537753	1121263497	/nfs/dbraw/zinc/26/34/97/1121263497.db2.gz	IJJHIQREALMEJV-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175318613	1121280678	/nfs/dbraw/zinc/28/06/78/1121280678.db2.gz	APFZPLQDBKTSFS-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1	ZINC001175320665	1121282100	/nfs/dbraw/zinc/28/21/00/1121282100.db2.gz	IKXGSEOBVPOEFW-UHFFFAOYSA-N	-1	0	297.701	3.525	20	30		CHEDRM
CC(C)(C)n1cc(C#N)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175329396	1121285177	/nfs/dbraw/zinc/28/51/77/1121285177.db2.gz	ZHMXXYIFBMINGJ-UHFFFAOYSA-N	-1	0	283.331	3.557	20	30		CHEDRM
CC(C)(C#N)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1	ZINC001175331282	1121286419	/nfs/dbraw/zinc/28/64/19/1121286419.db2.gz	KLRAAFHEJSRGCP-UHFFFAOYSA-N	-1	0	280.327	3.930	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2)cc1Cl	ZINC001175335269	1121288486	/nfs/dbraw/zinc/28/84/86/1121288486.db2.gz	YNAHKIGLPONENB-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
COc1cc(Nc2cc(F)cc(C#N)c2)ccc1[S-]	ZINC001175688904	1121432805	/nfs/dbraw/zinc/43/28/05/1121432805.db2.gz	FSFREZXTLWEQLH-UHFFFAOYSA-N	-1	0	274.320	3.738	20	30		CHEDRM
CC(C)c1ccc(Nc2cncc(C(=O)[O-])c2)c(C#N)c1	ZINC001175841797	1121470308	/nfs/dbraw/zinc/47/03/08/1121470308.db2.gz	XPDTZXKCDWTDKI-UHFFFAOYSA-N	-1	0	281.315	3.518	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccccc1OC(F)F	ZINC001176013102	1121524943	/nfs/dbraw/zinc/52/49/43/1121524943.db2.gz	XECZKKGSWQLSHF-UHFFFAOYSA-N	-1	0	282.271	3.670	20	30		CHEDRM
CCCOc1cccc(F)c1Nc1cc(C#N)ccc1O	ZINC001211790023	1121590446	/nfs/dbraw/zinc/59/04/46/1121590446.db2.gz	QVJDLHGEXGGGGJ-UHFFFAOYSA-N	-1	0	286.306	3.935	20	30		CHEDRM
N#Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1F	ZINC001176586782	1121647654	/nfs/dbraw/zinc/64/76/54/1121647654.db2.gz	MBGKBFGMGMDAGN-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176587273	1121649216	/nfs/dbraw/zinc/64/92/16/1121649216.db2.gz	XLXJBTGLGDWETN-UHFFFAOYSA-N	-1	0	292.338	3.727	20	30		CHEDRM
C=CCn1cc(Nc2ccc3[n-]c(=S)sc3c2)cn1	ZINC001176548868	1121651666	/nfs/dbraw/zinc/65/16/66/1121651666.db2.gz	RQYGCOKUQVISGT-UHFFFAOYSA-N	-1	0	288.401	3.711	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176671396	1121673615	/nfs/dbraw/zinc/67/36/15/1121673615.db2.gz	BVFHMVOERWTJFL-UHFFFAOYSA-N	-1	0	292.260	3.987	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2)c2cccnc12	ZINC001176715286	1121691581	/nfs/dbraw/zinc/69/15/81/1121691581.db2.gz	ZYWUPXALXHWIFE-UHFFFAOYSA-N	-1	0	289.294	3.548	20	30		CHEDRM
CC[C@H](Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000727781586	1121740501	/nfs/dbraw/zinc/74/05/01/1121740501.db2.gz	QVXJQQKMSVXFJA-GYZOOYGHSA-N	-1	0	298.342	3.741	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000730148633	1121794264	/nfs/dbraw/zinc/79/42/64/1121794264.db2.gz	IOGPEFQNWUQIFN-PLNGDYQASA-N	-1	0	278.354	3.712	20	30		CHEDRM
Cc1cc(C)cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730149783	1121794357	/nfs/dbraw/zinc/79/43/57/1121794357.db2.gz	ZIXBMROKBRMKAG-ARJAWSKDSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1ccc2c(c1)[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])CC2	ZINC000730146973	1121794817	/nfs/dbraw/zinc/79/48/17/1121794817.db2.gz	IYGCHKQNVBNJRL-PMFHANACSA-N	-1	0	296.326	3.715	20	30		CHEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccc(C#N)cc1	ZINC000814803068	1121894448	/nfs/dbraw/zinc/89/44/48/1121894448.db2.gz	IHPQTODMYHIUAK-UHFFFAOYSA-N	-1	0	287.363	3.771	20	30		CHEDRM
C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(C(=O)[O-])cc2)o1	ZINC000732762518	1121937785	/nfs/dbraw/zinc/93/77/85/1121937785.db2.gz	IKFIANMZAWQGPG-IINYFYTJSA-N	-1	0	284.315	3.547	20	30		CHEDRM
C[C@@H](CC(C)(C)S)Oc1cccc2oc(=S)[n-]c21	ZINC001231064104	1121956257	/nfs/dbraw/zinc/95/62/57/1121956257.db2.gz	ARXKASLJGWERGK-QMMMGPOBSA-N	-1	0	283.418	3.982	20	30		CHEDRM
CC1(C)c2ccccc2C(=O)/C1=C/c1cccc(C(=O)[O-])c1	ZINC000774127446	1122131345	/nfs/dbraw/zinc/13/13/45/1122131345.db2.gz	VLOQVEUXCKNKPW-WJDWOHSUSA-N	-1	0	292.334	3.942	20	30		CHEDRM
Cc1c(Cl)c(Cc2ccc(C#N)cc2)ccc1C(=O)[O-]	ZINC001250055433	1122154039	/nfs/dbraw/zinc/15/40/39/1122154039.db2.gz	IYRVDGZFWFYCAV-UHFFFAOYSA-N	-1	0	285.730	3.809	20	30		CHEDRM
N#Cc1ccc(Cc2c(F)ccc([O-])c2Cl)cc1	ZINC001250054899	1122155547	/nfs/dbraw/zinc/15/55/47/1122155547.db2.gz	UWTOXYPCGJACTG-UHFFFAOYSA-N	-1	0	261.683	3.647	20	30		CHEDRM
CCC(C)(C)N(CCC#N)C(=O)c1cccc(Cl)c1[O-]	ZINC001269758631	1122364071	/nfs/dbraw/zinc/36/40/71/1122364071.db2.gz	QWABQWHWOBJCLI-UHFFFAOYSA-N	-1	0	294.782	3.590	20	30		CHEDRM
N#Cc1c[nH]c2cc(NC(=O)c3cccc([S-])c3)ccc12	ZINC001186152109	1122377522	/nfs/dbraw/zinc/37/75/22/1122377522.db2.gz	BANRWJKIFKVGBX-UHFFFAOYSA-N	-1	0	293.351	3.581	20	30		CHEDRM
C=C(C)CCc1noc(-c2cc(Cl)ccc2[O-])n1	ZINC000436684579	1122571480	/nfs/dbraw/zinc/57/14/80/1122571480.db2.gz	CKZGPQQTLPJHGG-UHFFFAOYSA-N	-1	0	264.712	3.604	20	30		CHEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048518118	1122708344	/nfs/dbraw/zinc/70/83/44/1122708344.db2.gz	CNHHNYIONNDICG-ZDUSSCGKSA-N	-1	0	297.420	3.857	20	30		CHEDRM
Cc1[n-]sc(=NC(=O)Oc2ccc(Cl)cc2)c1C#N	ZINC001194024751	1122740282	/nfs/dbraw/zinc/74/02/82/1122740282.db2.gz	PSIDSFZQHSJHPY-UHFFFAOYSA-N	-1	0	293.735	3.588	20	30		CHEDRM
CCCCCCCOC(=O)Nc1scc([O-])c1C#N	ZINC001193994385	1122741975	/nfs/dbraw/zinc/74/19/75/1122741975.db2.gz	SDHIZIISIKJTLR-UHFFFAOYSA-N	-1	0	282.365	3.844	20	30		CHEDRM
N#Cc1cccc(O)c1NC(=O)Oc1ccc(Cl)cc1	ZINC001194061520	1122744165	/nfs/dbraw/zinc/74/41/65/1122744165.db2.gz	NBONMOXTYPSKBH-UHFFFAOYSA-N	-1	0	288.690	3.528	20	30		CHEDRM
CCc1ccc(F)cc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000633894505	1129093843	/nfs/dbraw/zinc/09/38/43/1129093843.db2.gz	KMPXUDSLVYAOOD-ZDUSSCGKSA-N	-1	0	288.347	3.643	20	30		CHEDRM
N#Cc1oc2ccccc2c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001199813954	1123042683	/nfs/dbraw/zinc/04/26/83/1123042683.db2.gz	ADPFBCRQTYDHLK-UHFFFAOYSA-N	-1	0	295.254	3.662	20	30		CHEDRM
Cc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000049020800	1123058199	/nfs/dbraw/zinc/05/81/99/1123058199.db2.gz	UTOZQMHPPBGMMH-IIBSKXHVSA-N	-1	0	290.344	3.850	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201223987	1123081247	/nfs/dbraw/zinc/08/12/47/1123081247.db2.gz	GSRQPLVRYKAXPE-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
C[C@@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccsc1	ZINC000007333214	1123248998	/nfs/dbraw/zinc/24/89/98/1123248998.db2.gz	UDSNDMCCOYHLJM-QMEHYBMDSA-N	-1	0	274.316	3.976	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000335117282	1123302290	/nfs/dbraw/zinc/30/22/90/1123302290.db2.gz	QSUCUSBHANQBES-UHFFFAOYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
O=C([O-])c1cc(N=NC2CCCSCC2)ccc1Cl	ZINC000853258621	1123430615	/nfs/dbraw/zinc/43/06/15/1123430615.db2.gz	WZTARNNUAARAQE-UHFFFAOYSA-N	-1	0	298.795	3.723	20	30		CHEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	ZINC000856030635	1123545038	/nfs/dbraw/zinc/54/50/38/1123545038.db2.gz	KRWMSCRDDFBZMW-CQSZACIVSA-N	-1	0	291.391	3.510	20	30		CHEDRM
O=C1c2ccccc2CC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000194659950	1129137020	/nfs/dbraw/zinc/13/70/20/1129137020.db2.gz	MEENLJVVTVXIMR-LCYFTJDESA-N	-1	0	295.294	3.513	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)o1	ZINC000794940017	1124093780	/nfs/dbraw/zinc/09/37/80/1124093780.db2.gz	VJWRYSFZVAGCRL-AATRIKPKSA-N	-1	0	284.311	3.799	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000819978182	1131270463	/nfs/dbraw/zinc/27/04/63/1131270463.db2.gz	OVQZVYKZRKJJSK-NSHDSACASA-N	-1	0	275.348	3.526	20	30		CHEDRM
C[C@@H](CCC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000124004383	1124702186	/nfs/dbraw/zinc/70/21/86/1124702186.db2.gz	VEBWAQJDKUHBHS-ZDUSSCGKSA-N	-1	0	294.354	3.786	20	30		CHEDRM
C=CCC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCCC1	ZINC000872386789	1124711619	/nfs/dbraw/zinc/71/16/19/1124711619.db2.gz	CDUWEJZNZLQGNR-UHFFFAOYSA-N	-1	0	286.375	3.848	20	30		CHEDRM
Cc1coc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C	ZINC001122093382	1131297689	/nfs/dbraw/zinc/29/76/89/1131297689.db2.gz	MAQHXLPJXQRNBG-LLVKDONJSA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)[O-])c1)C2	ZINC000126428882	1125020729	/nfs/dbraw/zinc/02/07/29/1125020729.db2.gz	VFRUXHMFCNXTPF-DHDCSXOGSA-N	-1	0	278.307	3.516	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1cccc(Cl)c1[O-]	ZINC000878822227	1125181263	/nfs/dbraw/zinc/18/12/63/1125181263.db2.gz	JYBMFPZXPBAQIP-UHFFFAOYSA-N	-1	0	253.729	3.586	20	30		CHEDRM
CSc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000122335846	1125187302	/nfs/dbraw/zinc/18/73/02/1125187302.db2.gz	SSFNKNXJQOKJHK-GFCCVEGCSA-N	-1	0	288.397	3.664	20	30		CHEDRM
CCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000729149721	1125316309	/nfs/dbraw/zinc/31/63/09/1125316309.db2.gz	OGWROWSWZGZXOK-BGARDKSCSA-N	-1	0	299.330	3.656	20	30		CHEDRM
C=C[C@@H](CCCCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228971810	1125340723	/nfs/dbraw/zinc/34/07/23/1125340723.db2.gz	RXGXHRZDKRJQAK-NSHDSACASA-N	-1	0	281.308	3.520	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cnc(Cl)c(C)c2)c([O-])c1	ZINC000760264039	1125421188	/nfs/dbraw/zinc/42/11/88/1125421188.db2.gz	JDDYGXPYSXNUFT-XQRVVYSFSA-N	-1	0	287.746	3.954	20	30		CHEDRM
N#CC(=C([O-])c1cc(F)cc(F)c1)c1nc2ccccc2o1	ZINC000041547756	1125434403	/nfs/dbraw/zinc/43/44/03/1125434403.db2.gz	HXLWZBCFRKLLCP-GFCCVEGCSA-N	-1	0	298.248	3.596	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)sc1C	ZINC000041547125	1125434502	/nfs/dbraw/zinc/43/45/02/1125434502.db2.gz	WVLJIKAYQGLCMS-LLVKDONJSA-N	-1	0	296.351	3.996	20	30		CHEDRM
C=CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000735611883	1129353463	/nfs/dbraw/zinc/35/34/63/1129353463.db2.gz	FRSPSQQTUMWRRK-UHFFFAOYSA-N	-1	0	298.317	3.916	20	30		CHEDRM
CC(C)[C@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000739426996	1129404152	/nfs/dbraw/zinc/40/41/52/1129404152.db2.gz	PRDRVSYCNFAWGN-NEFPKRPYSA-N	-1	0	284.743	3.665	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)[nH]1	ZINC000642280844	1129412388	/nfs/dbraw/zinc/41/23/88/1129412388.db2.gz	JLNPQAXYZNJKGQ-LBPRGKRZSA-N	-1	0	295.367	3.731	20	30		CHEDRM
CC[C@@H]1CCC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000740763279	1129418742	/nfs/dbraw/zinc/41/87/42/1129418742.db2.gz	FGKDOUKMUXFLBT-DORGZDKSSA-N	-1	0	276.336	3.688	20	30		CHEDRM
Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)cc(C)c1C#N	ZINC001241827195	1129622837	/nfs/dbraw/zinc/62/28/37/1129622837.db2.gz	BQIQYFDZTBQAPF-UHFFFAOYSA-N	-1	0	269.275	3.679	20	30		CHEDRM
N#Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)c(C#N)c1	ZINC001242162792	1129664635	/nfs/dbraw/zinc/66/46/35/1129664635.db2.gz	SHJXEKXBKKTZOX-UHFFFAOYSA-N	-1	0	288.228	3.821	20	30		CHEDRM
Cc1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)ccc1C#N	ZINC000766491357	1129670136	/nfs/dbraw/zinc/67/01/36/1129670136.db2.gz	OHDDGARLYQCAPU-KKWTZDJOSA-N	-1	0	296.351	3.591	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1ccc(F)cc1[O-]	ZINC001242218802	1129690675	/nfs/dbraw/zinc/69/06/75/1129690675.db2.gz	AQMYCJLIJNGOMY-UHFFFAOYSA-N	-1	0	279.217	3.671	20	30		CHEDRM
N#Cc1cc2cccnc2nc1Nc1ccc(Cl)c([O-])c1	ZINC001212587946	1129715139	/nfs/dbraw/zinc/71/51/39/1129715139.db2.gz	BNMXNAHLFDXRKC-UHFFFAOYSA-N	-1	0	296.717	3.604	20	30		CHEDRM
[O-]/N=C/c1ccc(-c2c(F)cccc2F)cc1F	ZINC001239575669	1131394358	/nfs/dbraw/zinc/39/43/58/1131394358.db2.gz	LNZHXHFQQJENSX-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
CC(C)(C#N)CCCCOC(=O)c1c(F)cc([O-])cc1F	ZINC000768718841	1129870429	/nfs/dbraw/zinc/87/04/29/1129870429.db2.gz	ZMMPPIJCYBCSEU-UHFFFAOYSA-N	-1	0	297.301	3.547	20	30		CHEDRM
CC(C)(C#N)CCCCOC(=O)c1cc(F)c([O-])c(F)c1	ZINC000768755470	1129872734	/nfs/dbraw/zinc/87/27/34/1129872734.db2.gz	TZRIIJHMKLVFRE-UHFFFAOYSA-N	-1	0	297.301	3.547	20	30		CHEDRM
C[C@H]1CC[C@H](CN=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000800805129	1129889172	/nfs/dbraw/zinc/88/91/72/1129889172.db2.gz	JOBKMPYEGRPYCV-UWVGGRQHSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C=Cc2ccc[nH]2)s1	ZINC000802249615	1129986070	/nfs/dbraw/zinc/98/60/70/1129986070.db2.gz	CJLIFQWHBFIBQR-SYTKJHMZSA-N	-1	0	299.399	3.658	20	30		CHEDRM
C=CCC[C@H](NC(=O)C(F)(F)C(F)F)c1ccccc1	ZINC000772243360	1130014433	/nfs/dbraw/zinc/01/44/33/1130014433.db2.gz	KIQUNKIDDYTNPN-NSHDSACASA-N	-1	0	289.272	3.711	20	30		CHEDRM
CC(C)C(CN=Nc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000788931936	1130221301	/nfs/dbraw/zinc/22/13/01/1130221301.db2.gz	KSWFCKQWURQVBY-UHFFFAOYSA-N	-1	0	262.353	3.711	20	30		CHEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])CC(C)(C)C	ZINC000748410397	1130231395	/nfs/dbraw/zinc/23/13/95/1130231395.db2.gz	JFZCJWXBVBIZMQ-NSHDSACASA-N	-1	0	274.364	3.665	20	30		CHEDRM
CC1=C[C@@H](C)C[C@H](CN=Nc2ccccc2C(=O)[O-])C1	ZINC000789640000	1130268067	/nfs/dbraw/zinc/26/80/67/1130268067.db2.gz	PDTPOFOXSQITFK-YPMHNXCESA-N	-1	0	272.348	3.775	20	30		CHEDRM
Cc1cc(F)cc(-c2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001243214088	1130321676	/nfs/dbraw/zinc/32/16/76/1130321676.db2.gz	DEYIYDMUSRQUBI-UHFFFAOYSA-N	-1	0	269.275	3.679	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240547806	1130350993	/nfs/dbraw/zinc/35/09/93/1130350993.db2.gz	YMKKOZXVMIUFBB-CMDGGOBGSA-N	-1	0	279.339	3.883	20	30		CHEDRM
COc1ccc(CC#N)cc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240549301	1130351928	/nfs/dbraw/zinc/35/19/28/1130351928.db2.gz	AGPULHOFSDFXJZ-SOFGYWHQSA-N	-1	0	293.322	3.526	20	30		CHEDRM
N#CCc1cc(F)cc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240550499	1130353081	/nfs/dbraw/zinc/35/30/81/1130353081.db2.gz	HXOARVRHLRUVRY-SNAWJCMRSA-N	-1	0	281.286	3.657	20	30		CHEDRM
N#CCc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)ccc1F	ZINC001243326799	1130381289	/nfs/dbraw/zinc/38/12/89/1130381289.db2.gz	XDMWTHPVVJILIY-UHFFFAOYSA-N	-1	0	289.693	3.910	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc([C@H](C)C#N)cc1	ZINC001240736913	1130447207	/nfs/dbraw/zinc/44/72/07/1130447207.db2.gz	LKALQTMOROPQFN-LLVKDONJSA-N	-1	0	281.311	3.687	20	30		CHEDRM
N#CCCc1cccc(-c2ccc(C(=O)[O-])s2)c1	ZINC001240847554	1130492034	/nfs/dbraw/zinc/49/20/34/1130492034.db2.gz	FYFQTLPVSCTSKV-UHFFFAOYSA-N	-1	0	257.314	3.569	20	30		CHEDRM
N#CCCc1ccc(-c2ccc(C(=O)[O-])s2)cc1	ZINC001240848045	1130492113	/nfs/dbraw/zinc/49/21/13/1130492113.db2.gz	OYPPNAZIDSURGQ-UHFFFAOYSA-N	-1	0	257.314	3.569	20	30		CHEDRM
O=C([O-])c1ccc(-c2ccc(CS)cc2)s1	ZINC001240848459	1130493286	/nfs/dbraw/zinc/49/32/86/1130493286.db2.gz	BAZGUUORYJKUBP-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
CC[C@H](NN=C1CCCC[C@@H](c2ccccc2)C1)C(=O)[O-]	ZINC000793058633	1130517465	/nfs/dbraw/zinc/51/74/65/1130517465.db2.gz	XHLHDYWOAFWDNR-ZBFHGGJFSA-N	-1	0	288.391	3.543	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1nccc2ccc(C#N)cc21	ZINC001240998890	1130557544	/nfs/dbraw/zinc/55/75/44/1130557544.db2.gz	DMYDAIMCHMPNHK-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(F)c1	ZINC001241001163	1130558898	/nfs/dbraw/zinc/55/88/98/1130558898.db2.gz	SVEPZIIEMRZUPS-UHFFFAOYSA-N	-1	0	269.275	3.565	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2cc(C#N)cnc2c1	ZINC001241003501	1130560572	/nfs/dbraw/zinc/56/05/72/1130560572.db2.gz	QHQWWGGKLDMWOM-UHFFFAOYSA-N	-1	0	288.306	3.780	20	30		CHEDRM
Cc1ccnc(NN=Cc2cc(Cl)c([O-])cc2Cl)c1	ZINC000758118192	1130598435	/nfs/dbraw/zinc/59/84/35/1130598435.db2.gz	PPEQAADIOZCLBE-UHFFFAOYSA-N	-1	0	296.157	3.848	20	30		CHEDRM
C=C[C@H](CC)Oc1ccc2[n-]c(=S)sc2c1	ZINC001234425888	1130643477	/nfs/dbraw/zinc/64/34/77/1130643477.db2.gz	XLQZRGTXNITHDM-MRVPVSSYSA-N	-1	0	251.376	3.928	20	30		CHEDRM
C=C[C@@]1(C)CC[C@@H](Oc2nc3sccc3[nH]2)C(C)(C)O1	ZINC001234848182	1130681123	/nfs/dbraw/zinc/68/11/23/1130681123.db2.gz	MUPPKWRSHAOPCU-ABAIWWIYSA-N	-1	0	292.404	3.906	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2cc3ccccc3o2)cc1	ZINC000812369820	1130685437	/nfs/dbraw/zinc/68/54/37/1130685437.db2.gz	RDEYPKXMCZOUGR-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC(c3cccc(F)c3)C2)cc1	ZINC000781573970	1130727435	/nfs/dbraw/zinc/72/74/35/1130727435.db2.gz	LQXRTFCYYXKROX-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c(C)c1	ZINC000782201109	1130762477	/nfs/dbraw/zinc/76/24/77/1130762477.db2.gz	PNIHJZLAJZGNPK-GQCTYLIASA-N	-1	0	286.352	3.959	20	30		CHEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCCC[C@H]1C	ZINC000783863507	1130860032	/nfs/dbraw/zinc/86/00/32/1130860032.db2.gz	RFSPWQPJVIGPNG-DGCLKSJQSA-N	-1	0	290.363	3.617	20	30		CHEDRM
CSc1ccc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000814687681	1130899783	/nfs/dbraw/zinc/89/97/83/1130899783.db2.gz	QSTQQQXQROMKLG-UHFFFAOYSA-N	-1	0	292.385	3.614	20	30		CHEDRM
CC1(C)CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000814688551	1130900194	/nfs/dbraw/zinc/90/01/94/1130900194.db2.gz	CALLGFQFSGAQAB-UHFFFAOYSA-N	-1	0	266.728	3.626	20	30		CHEDRM
O=C([O-])c1cccc(C=NOCc2ccccc2)c1Cl	ZINC000814792141	1130911866	/nfs/dbraw/zinc/91/18/66/1130911866.db2.gz	POQHDZXNLCGZOB-UHFFFAOYSA-N	-1	0	289.718	3.589	20	30		CHEDRM
C[C@H]1C(=NNCCC(C)(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814901312	1130932323	/nfs/dbraw/zinc/93/23/23/1130932323.db2.gz	IAJOHZNRVQEUJJ-RYUDHWBXSA-N	-1	0	282.428	3.525	20	30		CHEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NN1CCC(C(C)(C)C)CC1	ZINC000814913121	1130941747	/nfs/dbraw/zinc/94/17/47/1130941747.db2.gz	HIRWVZFYWRIUAX-QWHCGFSZSA-N	-1	0	294.439	3.621	20	30		CHEDRM
C[C@@H]1C(=NN[C@@H]2CCCC2(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814917776	1130942035	/nfs/dbraw/zinc/94/20/35/1130942035.db2.gz	QUIOPWRFWQOSNG-YRGRVCCFSA-N	-1	0	294.439	3.668	20	30		CHEDRM
N#CCc1ccc(F)c(-c2ccc(C(=O)[O-])cc2Cl)c1	ZINC001245373607	1130957605	/nfs/dbraw/zinc/95/76/05/1130957605.db2.gz	DMYXPXAMMYNSEV-UHFFFAOYSA-N	-1	0	289.693	3.910	20	30		CHEDRM
C=C(C)c1ccccc1Nc1cc(C(=O)[O-])cnc1F	ZINC001215131642	1131021115	/nfs/dbraw/zinc/02/11/15/1131021115.db2.gz	KNSJXFLGWUPLLV-UHFFFAOYSA-N	-1	0	272.279	3.696	20	30		CHEDRM
Cc1nn(C(C)C)cc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000798370836	1131033725	/nfs/dbraw/zinc/03/37/25/1131033725.db2.gz	YZHUSXJKLOCXGL-VURMDHGXSA-N	-1	0	284.359	3.683	20	30		CHEDRM
CCc1cccc(C)c1NN=C(C)c1ccc(C(=O)[O-])o1	ZINC000799494232	1131090769	/nfs/dbraw/zinc/09/07/69/1131090769.db2.gz	FOGOWEVVHZXBOE-UHFFFAOYSA-N	-1	0	286.331	3.685	20	30		CHEDRM
Cc1cc(-c2cc([O-])c(F)c(F)c2F)cc(F)c1C#N	ZINC001245639289	1131098774	/nfs/dbraw/zinc/09/87/74/1131098774.db2.gz	SCWDGZMXUAKFKT-UHFFFAOYSA-N	-1	0	281.208	3.796	20	30		CHEDRM
N#CCOc1ccc(Nc2ccccc2[S-])cc1	ZINC001212608884	1131142646	/nfs/dbraw/zinc/14/26/46/1131142646.db2.gz	KRSQHLBTGGUDJK-UHFFFAOYSA-N	-1	0	256.330	3.621	20	30		CHEDRM
Cc1c(N=NC2CCC[C@@H](C)C2)cccc1C(=O)[O-]	ZINC000844626915	1131587113	/nfs/dbraw/zinc/58/71/13/1131587113.db2.gz	FAARSZIGJKCRKQ-SNVBAGLBSA-N	-1	0	260.337	3.671	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	ZINC000846551344	1131713117	/nfs/dbraw/zinc/71/31/17/1131713117.db2.gz	UKBFVOVHXNYHTG-KBPBESRZSA-N	-1	0	291.391	3.508	20	30		CHEDRM
C=C[C@H](CCCCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227716022	1131728833	/nfs/dbraw/zinc/72/88/33/1131728833.db2.gz	JANCTJKKSCXJBQ-NWDGAFQWSA-N	-1	0	292.379	3.677	20	30		CHEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)C1CCC1	ZINC000835008931	1131754358	/nfs/dbraw/zinc/75/43/58/1131754358.db2.gz	PDQLHIJBOURJFW-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
CCc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000835011609	1131755242	/nfs/dbraw/zinc/75/52/42/1131755242.db2.gz	RDJKJGYJOIYKCW-WCQYABFASA-N	-1	0	274.364	3.538	20	30		CHEDRM
CCC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000835041719	1131762821	/nfs/dbraw/zinc/76/28/21/1131762821.db2.gz	ZWCWVFAZYHJORU-CFRMROPGSA-N	-1	0	294.354	3.724	20	30		CHEDRM
C[C@@H](Oc1cccc2ccc(C#N)nc21)C1=CC=C[CH]1	ZINC001228408624	1131875597	/nfs/dbraw/zinc/87/55/97/1131875597.db2.gz	IBYARMDKJRFTLV-GFCCVEGCSA-N	-1	0	261.304	3.574	20	30		CHEDRM
N#C[C@H]1CCCCN1Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140832108	1131942544	/nfs/dbraw/zinc/94/25/44/1131942544.db2.gz	AMFCGZCATBDZGQ-SNVBAGLBSA-N	-1	0	285.174	3.577	20	30		CHEDRM
COc1ccc(C)cc1C=CC(=O)c1sccc1[O-]	ZINC000773148814	1131962239	/nfs/dbraw/zinc/96/22/39/1131962239.db2.gz	IAVDKHKDNYCNCU-SNAWJCMRSA-N	-1	0	274.341	3.667	20	30		CHEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1C	ZINC000773151186	1131964287	/nfs/dbraw/zinc/96/42/87/1131964287.db2.gz	VYXRMJUGPNPVGK-HYXAFXHYSA-N	-1	0	274.341	3.667	20	30		CHEDRM
CN(C)c1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000773151076	1131966260	/nfs/dbraw/zinc/96/62/60/1131966260.db2.gz	TXVFIOHBQNLRQC-XQRVVYSFSA-N	-1	0	291.347	3.555	20	30		CHEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccc2ccccc2c1	ZINC001228898702	1131974968	/nfs/dbraw/zinc/97/49/68/1131974968.db2.gz	KPOGNLBWELQUBM-GFCCVEGCSA-N	-1	0	290.322	3.952	20	30		CHEDRM
CCC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228899906	1131975032	/nfs/dbraw/zinc/97/50/32/1131975032.db2.gz	AQMBEQPFKXVSPJ-CQSZACIVSA-N	-1	0	268.316	3.579	20	30		CHEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccc2ccccc21	ZINC001228899445	1131975226	/nfs/dbraw/zinc/97/52/26/1131975226.db2.gz	XJAQACYLCMVKQP-LBPRGKRZSA-N	-1	0	290.322	3.952	20	30		CHEDRM
CC1=CCC[C@H](C)[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1	ZINC000773180665	1131978119	/nfs/dbraw/zinc/97/81/19/1131978119.db2.gz	PSABMQQXMBTTTO-SWLSCSKDSA-N	-1	0	272.348	3.775	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@@H](C)c1ncccc1F	ZINC001229737018	1132111866	/nfs/dbraw/zinc/11/18/66/1132111866.db2.gz	NYLLBNACWCCHJH-HPAYWCODSA-N	-1	0	274.295	3.559	20	30		CHEDRM
C=C[C@@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231044170	1132246909	/nfs/dbraw/zinc/24/69/09/1132246909.db2.gz	GRXXBDPNTZWRAC-LURJTMIESA-N	-1	0	272.135	3.608	20	30		CHEDRM
C[C@@H]1CC[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])O1	ZINC000840708362	1132272557	/nfs/dbraw/zinc/27/25/57/1132272557.db2.gz	ALMTXJSWAFRNJP-KSWLNJQMSA-N	-1	0	288.174	3.685	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc2ccccc2o1	ZINC000842694232	1132452247	/nfs/dbraw/zinc/45/22/47/1132452247.db2.gz	TUVIDOLAXZENII-LXKVQUBZSA-N	-1	0	280.327	3.750	20	30		CHEDRM
N#CCC(=O)c1ccccc1O[C@H](c1cccnc1)C1CC1	ZINC001233524425	1132631428	/nfs/dbraw/zinc/63/14/28/1132631428.db2.gz	NUJJLKXBVVZIAO-SFHVURJKSA-N	-1	0	292.338	3.708	20	30		CHEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2n[n-]c(=O)cc2Cl)C1	ZINC001233587666	1132642332	/nfs/dbraw/zinc/64/23/32/1132642332.db2.gz	WOIMOASDFAGKFE-JQWIXIFHSA-N	-1	0	280.755	3.515	20	30		CHEDRM
C=CC[C@H](CCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233828246	1132686860	/nfs/dbraw/zinc/68/68/60/1132686860.db2.gz	ZPFWURXMLXNLGH-GFCCVEGCSA-N	-1	0	274.316	3.622	20	30		CHEDRM
C=CCCCCCCNC(=O)c1ccc(Cl)c([O-])c1	ZINC001157258727	1132726938	/nfs/dbraw/zinc/72/69/38/1132726938.db2.gz	WFDHVPRTOVRJOQ-UHFFFAOYSA-N	-1	0	281.783	3.912	20	30		CHEDRM
C=CCCC[C@@H](C(=O)[N-]OC1CCC1)c1ccccc1	ZINC001158455669	1132777188	/nfs/dbraw/zinc/77/71/88/1132777188.db2.gz	QRRBPRXUQGKZHT-MRXNPFEDSA-N	-1	0	273.376	3.727	20	30		CHEDRM
N#CCc1ccccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174500436	1132901920	/nfs/dbraw/zinc/90/19/20/1132901920.db2.gz	RMFYFVPWZBBFJD-CMDGGOBGSA-N	-1	0	278.311	3.594	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1c2cc[nH]c2ccc1F	ZINC001204254550	1133426048	/nfs/dbraw/zinc/42/60/48/1133426048.db2.gz	OAVSOMNDAOKOIS-UHFFFAOYSA-N	-1	0	273.292	3.689	20	30		CHEDRM
C=C(C)c1ccc(-c2ccc(F)c(C(=O)[O-])c2F)nc1	ZINC001205074232	1133523848	/nfs/dbraw/zinc/52/38/48/1133523848.db2.gz	FZFGWDZZZWHHQT-UHFFFAOYSA-N	-1	0	275.254	3.758	20	30		CHEDRM
N#CC1(c2ccc(-c3ccsc3C(=O)[O-])cc2)CC1	ZINC001205580211	1133590769	/nfs/dbraw/zinc/59/07/69/1133590769.db2.gz	WUJHYXBJMNVAAK-UHFFFAOYSA-N	-1	0	269.325	3.668	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2ccsc2C(=O)[O-])cc1	ZINC001205586838	1133591289	/nfs/dbraw/zinc/59/12/89/1133591289.db2.gz	SQJDGIZVYCLCMI-SECBINFHSA-N	-1	0	257.314	3.740	20	30		CHEDRM
N#CCc1cccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1F	ZINC001206031060	1133643964	/nfs/dbraw/zinc/64/39/64/1133643964.db2.gz	BQEPHUBFDNVXQH-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1ccc([O-])cc1F	ZINC001206030096	1133644370	/nfs/dbraw/zinc/64/43/70/1133644370.db2.gz	PEOFBSCJUNNTER-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
N#CC1(c2ccc(-c3csc(C(=O)[O-])c3)cc2)CC1	ZINC001206278602	1133682071	/nfs/dbraw/zinc/68/20/71/1133682071.db2.gz	KPBLAFWUCHOEAZ-UHFFFAOYSA-N	-1	0	269.325	3.668	20	30		CHEDRM
N#Cc1ccc(OC(F)F)cc1-c1csc(C(=O)[O-])c1	ZINC001206291684	1133684562	/nfs/dbraw/zinc/68/45/62/1133684562.db2.gz	XWKFVLVAGFMPOE-UHFFFAOYSA-N	-1	0	295.266	3.586	20	30		CHEDRM
Cc1nc(-c2cc(F)c([O-])cc2F)c(C#N)c(C)c1C	ZINC001206775834	1133747217	/nfs/dbraw/zinc/74/72/17/1133747217.db2.gz	NJYMXBAJQAHJTP-UHFFFAOYSA-N	-1	0	274.270	3.529	20	30		CHEDRM
Cc1sc(Nc2cc(F)cc(C(=O)[O-])c2)c(C#N)c1C	ZINC001209885537	1134094221	/nfs/dbraw/zinc/09/42/21/1134094221.db2.gz	LEZBOEVMXTWIOX-UHFFFAOYSA-N	-1	0	290.319	3.818	20	30		CHEDRM
Cc1ccc(C)c(Nc2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001209893180	1134096610	/nfs/dbraw/zinc/09/66/10/1134096610.db2.gz	FIENLJODNSUGBI-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2cccc(C(=O)[O-])c2F)cc1	ZINC001210242127	1134176690	/nfs/dbraw/zinc/17/66/90/1134176690.db2.gz	CHJOXOBXLXLKNC-JTQLQIEISA-N	-1	0	284.290	3.895	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001210539513	1134242756	/nfs/dbraw/zinc/24/27/56/1134242756.db2.gz	CZJWVTPPHWYUKO-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
CCc1cc(OC)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210716612	1134281921	/nfs/dbraw/zinc/28/19/21/1134281921.db2.gz	RDPZTNVKRBXCNE-UHFFFAOYSA-N	-1	0	286.306	3.718	20	30		CHEDRM
N#Cc1ccc(Nc2cccc([O-])c2Cl)c(C#N)c1	ZINC001210860383	1134315101	/nfs/dbraw/zinc/31/51/01/1134315101.db2.gz	YWTLHQNYIVNZQF-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
N#Cc1cnn(-c2ccccc2)c1Nc1cccc([S-])c1	ZINC001210945586	1134335070	/nfs/dbraw/zinc/33/50/70/1134335070.db2.gz	VCZPGZZJXNACKC-UHFFFAOYSA-N	-1	0	292.367	3.776	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)c(Cl)c2[O-])ccc1N	ZINC001213441324	1134448534	/nfs/dbraw/zinc/44/85/34/1134448534.db2.gz	PDWTWCXPLFRDOL-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
COc1cc(Nc2c(C)ccc(C)c2C#N)cc(C(=O)[O-])c1	ZINC001213599517	1134467363	/nfs/dbraw/zinc/46/73/63/1134467363.db2.gz	KRCMXCUJPAFSTB-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
N#Cc1cc(Nc2ccccc2N2CCCC2)c([O-])cc1F	ZINC001213613122	1134469299	/nfs/dbraw/zinc/46/92/99/1134469299.db2.gz	WFYSFGFCMXRJDQ-UHFFFAOYSA-N	-1	0	297.333	3.747	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cccc(C)c1C#N	ZINC001214275604	1134526476	/nfs/dbraw/zinc/52/64/76/1134526476.db2.gz	UMOCROLVUIMMEX-UHFFFAOYSA-N	-1	0	296.326	3.707	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1c(Cl)ccc([O-])c1F	ZINC001214558971	1134551339	/nfs/dbraw/zinc/55/13/39/1134551339.db2.gz	AVDHUBPYXNLTIL-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cccc(C#N)c1Nc1c(Cl)ccc([O-])c1F	ZINC001214559648	1134551471	/nfs/dbraw/zinc/55/14/71/1134551471.db2.gz	RVGHOJRQZWTBEZ-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
N#Cc1ccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)cc1	ZINC001214742964	1134568217	/nfs/dbraw/zinc/56/82/17/1134568217.db2.gz	FTHCRPDXSQNNHY-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1nsc(Nc2ccc(Cl)c([O-])c2F)c1C#N	ZINC001214791016	1134573906	/nfs/dbraw/zinc/57/39/06/1134573906.db2.gz	GVFAHFHWORGTCJ-UHFFFAOYSA-N	-1	0	283.715	3.565	20	30		CHEDRM
N#Cc1cc(Nc2ccc(Cl)c([O-])c2F)ccc1O	ZINC001214803956	1134574833	/nfs/dbraw/zinc/57/48/33/1134574833.db2.gz	LFXJXOQDKAGYLZ-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
N#Cc1cc(O)ccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214804494	1134575362	/nfs/dbraw/zinc/57/53/62/1134575362.db2.gz	UKIQIADQHSUTCM-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
C#Cc1ccccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214803921	1134575632	/nfs/dbraw/zinc/57/56/32/1134575632.db2.gz	KNVNWSDNOZOOKH-UHFFFAOYSA-N	-1	0	261.683	3.910	20	30		CHEDRM
Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001215463972	1134629850	/nfs/dbraw/zinc/62/98/50/1134629850.db2.gz	YCZPBGAPGMBZAE-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
COc1cc(C)cc(F)c1Nc1scc([O-])c1C#N	ZINC001215707408	1134663910	/nfs/dbraw/zinc/66/39/10/1134663910.db2.gz	FTWGVDQPYIEMFQ-UHFFFAOYSA-N	-1	0	278.308	3.525	20	30		CHEDRM
Cc1c(C#N)cccc1Nc1ccc(F)c(F)c1[O-]	ZINC001216176857	1134797067	/nfs/dbraw/zinc/79/70/67/1134797067.db2.gz	MJLWDRPQCNGZLW-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
COc1cc(Nc2scc([O-])c2C#N)ccc1C1CC1	ZINC001216250785	1134825580	/nfs/dbraw/zinc/82/55/80/1134825580.db2.gz	QZCJLDXIINGDSJ-UHFFFAOYSA-N	-1	0	286.356	3.955	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216683076	1134943856	/nfs/dbraw/zinc/94/38/56/1134943856.db2.gz	INJBODLFDDAQAM-UHFFFAOYSA-N	-1	0	298.317	3.630	20	30		CHEDRM
Cc1ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)c(C)c1	ZINC001216980195	1134956519	/nfs/dbraw/zinc/95/65/19/1134956519.db2.gz	URLPVKMGMAEHSK-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
CCc1cccc(-c2noc(-c3cccc(C#N)c3[O-])n2)c1	ZINC001216979770	1134957129	/nfs/dbraw/zinc/95/71/29/1134957129.db2.gz	JAPKKYCPLBPLDR-UHFFFAOYSA-N	-1	0	291.310	3.543	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)c(Cl)c1	ZINC000312579931	1135134018	/nfs/dbraw/zinc/13/40/18/1135134018.db2.gz	VWYLCVDTHMGUKO-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cccc(CC#N)c1	ZINC000313478742	1135139254	/nfs/dbraw/zinc/13/92/54/1135139254.db2.gz	MQYHWOFVPUVQOT-UHFFFAOYSA-N	-1	0	266.300	3.503	20	30		CHEDRM
N#CCc1cccc(-c2c(F)cc(C(=O)[O-])cc2F)c1F	ZINC001222403876	1135237693	/nfs/dbraw/zinc/23/76/93/1135237693.db2.gz	ZCVLHHFXCZLPQF-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
Cc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)c(C)c1C#N	ZINC001222413121	1135238334	/nfs/dbraw/zinc/23/83/34/1135238334.db2.gz	XGEMCCKNASUKMU-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222678267	1135263374	/nfs/dbraw/zinc/26/33/74/1135263374.db2.gz	GGVUZWZNQFJTMS-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ncccc1F	ZINC001223592925	1135363197	/nfs/dbraw/zinc/36/31/97/1135363197.db2.gz	GSKADHCANCZTRZ-ZHNMFKIJSA-N	-1	0	294.713	3.788	20	30		CHEDRM
[O-]/N=C(\OC1CCC(F)(F)CC1)c1cc(F)ccc1F	ZINC001223888203	1135394266	/nfs/dbraw/zinc/39/42/66/1135394266.db2.gz	BQFYKWXFKZVZCQ-PDGQHHTCSA-N	-1	0	291.244	3.695	20	30		CHEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1	ZINC001225490312	1135576154	/nfs/dbraw/zinc/57/61/54/1135576154.db2.gz	HIIMUMCGTIRWQF-IUODEOHRSA-N	-1	0	289.331	3.980	20	30		CHEDRM
C=C[C@H](CCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225886119	1135633973	/nfs/dbraw/zinc/63/39/73/1135633973.db2.gz	SGZVXIUPVPRWPT-ZCFIWIBFSA-N	-1	0	264.218	3.682	20	30		CHEDRM
C=CC[C@@H](Oc1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001226159606	1135668853	/nfs/dbraw/zinc/66/88/53/1135668853.db2.gz	RUBHSZHBQNCYMR-CYBMUJFWSA-N	-1	0	290.750	3.840	20	30		CHEDRM
CCOc1ccc([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226222392	1135673575	/nfs/dbraw/zinc/67/35/75/1135673575.db2.gz	ZSOGKJHGGSAORH-GFCCVEGCSA-N	-1	0	298.342	3.506	20	30		CHEDRM
CCC[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226222662	1135674022	/nfs/dbraw/zinc/67/40/22/1135674022.db2.gz	GFCKNEUCMNEOFP-OAHLLOKOSA-N	-1	0	282.343	3.888	20	30		CHEDRM
C=CCOc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1	ZINC000338615403	262550325	/nfs/dbraw/zinc/55/03/25/262550325.db2.gz	VONUOMCMVNUPIE-SREVYHEPSA-N	-1	0	287.340	3.577	20	30		CHEDRM
C=Cc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000340363936	263119345	/nfs/dbraw/zinc/11/93/45/263119345.db2.gz	RUUAVRUFLBYOGR-ZDUSSCGKSA-N	-1	0	268.341	3.585	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)co1	ZINC000361522486	266838831	/nfs/dbraw/zinc/83/88/31/266838831.db2.gz	ATBZXSWFHZZTCJ-HNNXBMFYSA-N	-1	0	276.295	3.626	20	30		CHEDRM
N#Cc1sccc1-c1ccc(C2(C(=O)[O-])CCC2)cc1	ZINC000583155345	329324125	/nfs/dbraw/zinc/32/41/25/329324125.db2.gz	RIKLLACSSQHRCW-UHFFFAOYSA-N	-1	0	283.352	3.793	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000263307839	330052059	/nfs/dbraw/zinc/05/20/59/330052059.db2.gz	WHLYWBMJIYLLPZ-LBPRGKRZSA-N	-1	0	289.375	3.590	20	30		CHEDRM
C=CC[C@H](C)[C@H](C)Nc1cccc(CCC(=O)[O-])c1	ZINC000263514879	330058208	/nfs/dbraw/zinc/05/82/08/330058208.db2.gz	OJDPAJMJWMPBIG-STQMWFEESA-N	-1	0	261.365	3.716	20	30		CHEDRM
C=CC[C@H](C)[C@@H](C)Nc1cccc(CCC(=O)[O-])c1	ZINC000263514875	330058577	/nfs/dbraw/zinc/05/85/77/330058577.db2.gz	OJDPAJMJWMPBIG-QWHCGFSZSA-N	-1	0	261.365	3.716	20	30		CHEDRM
N#Cc1cccc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])c1	ZINC000566495331	334652571	/nfs/dbraw/zinc/65/25/71/334652571.db2.gz	ZCJHRHGAWFUMAY-IEBWSBKVSA-N	-1	0	289.334	3.514	20	30		CHEDRM
C=C[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000581438727	336078157	/nfs/dbraw/zinc/07/81/57/336078157.db2.gz	YYGZMFSWMVHJCY-JTQLQIEISA-N	-1	0	299.292	3.592	20	30		CHEDRM
C[C@H]1CC(=O)CC[C@@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329001859	534165918	/nfs/dbraw/zinc/16/59/18/534165918.db2.gz	WBQQCYOVGJIENG-CBAPKCEASA-N	-1	0	294.401	3.951	20	30		CHEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCCOCC1	ZINC000330216022	534328962	/nfs/dbraw/zinc/32/89/62/534328962.db2.gz	HKCUVUVSPMCRRH-QMMMGPOBSA-N	-1	0	287.718	3.589	20	30		CHEDRM
Cc1sc(C(=O)[O-])cc1CSc1ccc(C#N)cc1	ZINC000833031213	601675107	/nfs/dbraw/zinc/67/51/07/601675107.db2.gz	HJJYZRFKSPPILS-UHFFFAOYSA-N	-1	0	289.381	3.919	20	30		CHEDRM
CC[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)[O-]	ZINC000022865133	600402773	/nfs/dbraw/zinc/40/27/73/600402773.db2.gz	YQPWSCLKMOBFJX-AWEZNQCLSA-N	-1	0	298.367	3.576	20	30		CHEDRM
CC(C)(C#N)CCCSCc1ccc(C(=O)[O-])cc1	ZINC000826071976	601346526	/nfs/dbraw/zinc/34/65/26/601346526.db2.gz	QQNPRWFPUIVXSE-UHFFFAOYSA-N	-1	0	277.389	3.948	20	30		CHEDRM
Cc1cc(CSc2ccc(C#N)cc2F)oc1C(=O)[O-]	ZINC000832885414	601408470	/nfs/dbraw/zinc/40/84/70/601408470.db2.gz	SBGZZMWBELUXKC-UHFFFAOYSA-N	-1	0	291.303	3.589	20	30		CHEDRM
C=CCCCC(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000825671142	601450704	/nfs/dbraw/zinc/45/07/04/601450704.db2.gz	DXRRKCWBPBDFBE-UHFFFAOYSA-N	-1	0	283.327	3.833	20	30		CHEDRM
CCCc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829566687	601791897	/nfs/dbraw/zinc/79/18/97/601791897.db2.gz	SMSQVMNQOQTLON-RMKNXTFCSA-N	-1	0	283.327	3.562	20	30		CHEDRM
C=CCC(CC=C)C(=O)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC000825664510	602180653	/nfs/dbraw/zinc/18/06/53/602180653.db2.gz	CKGZERAFOKIBEN-UHFFFAOYSA-N	-1	0	294.734	3.712	20	30		CHEDRM
C=CCC(CC=C)C(=O)OCc1cc(C(=O)[O-])sc1C	ZINC000825664793	602283415	/nfs/dbraw/zinc/28/34/15/602283415.db2.gz	LRFGEPKTTSPVTC-UHFFFAOYSA-N	-1	0	294.372	3.566	20	30		CHEDRM
C=CCC(CC=C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000825659812	602294361	/nfs/dbraw/zinc/29/43/61/602294361.db2.gz	GUKGIMBGQHDOCO-UHFFFAOYSA-N	-1	0	293.750	3.745	20	30		CHEDRM
CC(C)CC(CC(C)C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763370999	604666996	/nfs/dbraw/zinc/66/69/96/604666996.db2.gz	XGISXICGCWSLAP-UHFFFAOYSA-N	-1	0	277.368	3.640	20	30		CHEDRM
C[C@@H](CC(=O)[O-])SCc1ccccc1C(C)(C)C#N	ZINC000827385672	604744473	/nfs/dbraw/zinc/74/44/73/604744473.db2.gz	MZYIYOCUEJRSGG-NSHDSACASA-N	-1	0	277.389	3.584	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000398092677	605057570	/nfs/dbraw/zinc/05/75/70/605057570.db2.gz	OXEGPQBHUIOKDY-NSHDSACASA-N	-1	0	290.363	3.560	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CCc2ccccc21	ZINC000755602203	605094919	/nfs/dbraw/zinc/09/49/19/605094919.db2.gz	UFAMFVLKOWVHIL-ZDUSSCGKSA-N	-1	0	280.327	3.513	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC=CCc1ccc(F)cc1	ZINC000747755824	605097690	/nfs/dbraw/zinc/09/76/90/605097690.db2.gz	WQIMCPQYCNWGRW-SRYOLRMTSA-N	-1	0	284.290	3.635	20	30		CHEDRM
Cc1ccoc1C(=O)/C=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000830616310	605172614	/nfs/dbraw/zinc/17/26/14/605172614.db2.gz	MEGJNBDMLQCCRR-AATRIKPKSA-N	-1	0	297.310	3.525	20	30		CHEDRM
C[C@@H](Nc1cccc(NC(=O)[O-])c1)c1cccc(C#N)c1	ZINC000833524640	605206872	/nfs/dbraw/zinc/20/68/72/605206872.db2.gz	HQUVMEULTQTWKV-LLVKDONJSA-N	-1	0	281.315	3.821	20	30		CHEDRM
CCOc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833662981	605595083	/nfs/dbraw/zinc/59/50/83/605595083.db2.gz	DEUGHCQVXNOWAR-UHFFFAOYSA-N	-1	0	298.342	3.620	20	30		CHEDRM
CCCCCCCCCC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001589645152	949720044	/nfs/dbraw/zinc/72/00/44/949720044.db2.gz	RUHVPNSUNXQBJQ-ZIAGYGMSSA-N	-1	0	283.412	3.591	20	30		CHEDRM
N#Cc1ccccc1CSc1ccc(C(=O)[O-])cc1	ZINC000019275682	957106816	/nfs/dbraw/zinc/10/68/16/957106816.db2.gz	MVNMUPJRUDUOIZ-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
CCCCCCCCC(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000060146006	957571302	/nfs/dbraw/zinc/57/13/02/957571302.db2.gz	CFQUMBQAIKWGOT-UHFFFAOYSA-N	-1	0	293.363	3.780	20	30		CHEDRM
C=CCCCCCSc1ncccc1C(=O)[O-]	ZINC000236459091	960632740	/nfs/dbraw/zinc/63/27/40/960632740.db2.gz	NDVVWJNRZVQVEV-UHFFFAOYSA-N	-1	0	251.351	3.618	20	30		CHEDRM
N#Cc1cc(CSc2ccc(C(=O)[O-])cc2)ccc1F	ZINC000236468619	960646566	/nfs/dbraw/zinc/64/65/66/960646566.db2.gz	GVSMZAYGKANUDO-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001573840629	961067664	/nfs/dbraw/zinc/06/76/64/961067664.db2.gz	INPMBKHRPZVGLF-YOEHRIQHSA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCCCCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001573841544	961084696	/nfs/dbraw/zinc/08/46/96/961084696.db2.gz	UPZITBCGRRXEEY-ZDUSSCGKSA-N	-1	0	285.428	3.600	20	30		CHEDRM
C=CC1(CC(=O)NC(CC)(CC)CC(=O)[O-])CCCCC1	ZINC001573351711	962981848	/nfs/dbraw/zinc/98/18/48/962981848.db2.gz	XHNICABIJFDVLR-UHFFFAOYSA-N	-1	0	295.423	3.663	20	30		CHEDRM
CCCCCCCCC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000312667138	963583292	/nfs/dbraw/zinc/58/32/92/963583292.db2.gz	LKWXZRBHNDOXRV-UHFFFAOYSA-N	-1	0	283.412	3.593	20	30		CHEDRM
C#CCCCCCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588441408	964050715	/nfs/dbraw/zinc/05/07/15/964050715.db2.gz	GTHWXXJTVGPEGE-UHFFFAOYSA-N	-1	0	294.734	3.527	20	30		CHEDRM
C#CCCCCCCNc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001588442737	964058852	/nfs/dbraw/zinc/05/88/52/964058852.db2.gz	WDOAGHHPYVYYLV-OAHLLOKOSA-N	-1	0	287.403	3.945	20	30		CHEDRM
C=CCCC[C@H](C)Nc1ncc(C(=O)[O-])cc1Cl	ZINC000398111954	973071390	/nfs/dbraw/zinc/07/13/90/973071390.db2.gz	YUCKFAJFGBECKW-VIFPVBQESA-N	-1	0	268.744	3.590	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2/Cc3ccc(Cl)cc3C2=O)cc1	ZINC000762448419	978720063	/nfs/dbraw/zinc/72/00/63/978720063.db2.gz	WLYSTZCEOUNOLH-QPEQYQDCSA-N	-1	0	298.725	3.861	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2c2ccccc2)nc1	ZINC000763368082	978721517	/nfs/dbraw/zinc/72/15/17/978721517.db2.gz	JSIZKZGPTUSJFB-AWEZNQCLSA-N	-1	0	295.342	3.515	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1	ZINC000765824466	978724088	/nfs/dbraw/zinc/72/40/88/978724088.db2.gz	MLFBZZRCRJYVTA-BQYQJAHWSA-N	-1	0	286.714	3.934	20	30		CHEDRM
Cc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c(C)s1	ZINC000774118093	978745852	/nfs/dbraw/zinc/74/58/52/978745852.db2.gz	ZMKLQDFSVFIEIA-SREVYHEPSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CC1(C)CCC/C(=C\c2cccc(C(=O)[O-])c2)C1=O	ZINC000774135449	978746420	/nfs/dbraw/zinc/74/64/20/978746420.db2.gz	KKAFSWPSAJWTCT-FMIVXFBMSA-N	-1	0	258.317	3.547	20	30		CHEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000809155906	978854027	/nfs/dbraw/zinc/85/40/27/978854027.db2.gz	HSHBEFXRUKZUQH-FFCYNSPCSA-N	-1	0	278.307	3.768	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814859445	978893860	/nfs/dbraw/zinc/89/38/60/978893860.db2.gz	VDYOQWYNNKIYSG-MJBXVCDLSA-N	-1	0	282.428	3.812	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC(C3CCC3)CC2)nc1	ZINC000853325396	979606122	/nfs/dbraw/zinc/60/61/22/979606122.db2.gz	HZTPMZLOAZZGFN-UHFFFAOYSA-N	-1	0	287.363	3.538	20	30		CHEDRM
C=C1CCC(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1	ZINC000887328011	980219937	/nfs/dbraw/zinc/21/99/37/980219937.db2.gz	HVTBHXVHORHBOJ-UHFFFAOYSA-N	-1	0	298.342	3.551	20	30		CHEDRM
CCCC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccccn1	ZINC001595522163	981343919	/nfs/dbraw/zinc/34/39/19/981343919.db2.gz	KSXWPDUHGAVCCS-UHFFFAOYSA-N	-1	0	297.358	3.705	20	30		CHEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000909288840	981461061	/nfs/dbraw/zinc/46/10/61/981461061.db2.gz	XDVSXLZQLPQHGU-UHFFFAOYSA-N	-1	0	289.375	3.590	20	30		CHEDRM
CCCCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001595704491	982276268	/nfs/dbraw/zinc/27/62/68/982276268.db2.gz	QNEKXRABRBKOKR-UHFFFAOYSA-N	-1	0	296.342	3.616	20	30		CHEDRM
CCCCCCC[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001595705303	982283541	/nfs/dbraw/zinc/28/35/41/982283541.db2.gz	VHJTWMLIVQVUOW-GFCCVEGCSA-N	-1	0	279.384	3.583	20	30		CHEDRM
CC[C@@H](C)[C@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001594929486	982548459	/nfs/dbraw/zinc/54/84/59/982548459.db2.gz	SPIOSWBDWBWSTL-PELKAZGASA-N	-1	0	283.780	3.803	20	30		CHEDRM
Cc1ccc2c(c1)C/C(=C/c1ccc(C(=O)[O-])cc1)C2=O	ZINC000921263272	982696755	/nfs/dbraw/zinc/69/67/55/982696755.db2.gz	ARGHDGKNRUCTHX-DHDCSXOGSA-N	-1	0	278.307	3.516	20	30		CHEDRM
C#C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1	ZINC001588378519	983362822	/nfs/dbraw/zinc/36/28/22/983362822.db2.gz	ZIXYTUOOWIGIBW-INIZCTEOSA-N	-1	0	299.757	3.502	20	30		CHEDRM
C#Cc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c(Cl)c1	ZINC001588517900	983566967	/nfs/dbraw/zinc/56/69/67/983566967.db2.gz	JABDVCWCAJQHGR-VHRBIJSZSA-N	-1	0	291.778	3.623	20	30		CHEDRM
C=C[C@@H](OC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1	ZINC001588711883	983940427	/nfs/dbraw/zinc/94/04/27/983940427.db2.gz	FGCHLCPLWVFFNM-MRXNPFEDSA-N	-1	0	296.322	3.777	20	30		CHEDRM
C=CC[C@@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001588731576	984008963	/nfs/dbraw/zinc/00/89/63/984008963.db2.gz	KPRKYQBHQKIALM-MRXNPFEDSA-N	-1	0	296.322	3.650	20	30		CHEDRM
C=CC[C@@H](SCc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC001588758796	984108110	/nfs/dbraw/zinc/10/81/10/984108110.db2.gz	JTHMFXNVZJETOM-GFCCVEGCSA-N	-1	0	286.780	3.611	20	30		CHEDRM
C=CC[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC001588758984	984108651	/nfs/dbraw/zinc/10/86/51/984108651.db2.gz	MXVIUTLXGBAVAQ-QMMMGPOBSA-N	-1	0	271.407	3.562	20	30		CHEDRM
C=CC[C@H](S[C@@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC001588759210	984110625	/nfs/dbraw/zinc/11/06/25/984110625.db2.gz	RKGUEHGWBFGBAS-CABZTGNLSA-N	-1	0	254.326	3.649	20	30		CHEDRM
C=CCCC(CC)N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588777776	984158104	/nfs/dbraw/zinc/15/81/04/984158104.db2.gz	JWNPUMVLYGCDCF-UHFFFAOYSA-N	-1	0	264.300	3.668	20	30		CHEDRM
C=CCC[C@H](CCC)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588777997	984159038	/nfs/dbraw/zinc/15/90/38/984159038.db2.gz	OPPYYOPOAXHDDY-ZDUSSCGKSA-N	-1	0	277.364	3.940	20	30		CHEDRM
C=CCCCC(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-]	ZINC001588782422	984172284	/nfs/dbraw/zinc/17/22/84/984172284.db2.gz	DVESGUIPYXVCRW-UHFFFAOYSA-N	-1	0	281.739	3.641	20	30		CHEDRM
C=CCCCCCN(C)C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001588799972	984243468	/nfs/dbraw/zinc/24/34/68/984243468.db2.gz	SZBPFNQCXIXHSF-UHFFFAOYSA-N	-1	0	289.375	3.512	20	30		CHEDRM
CC(=NNc1ccc(C)c(Cl)c1)c1cc(C(=O)[O-])co1	ZINC001589016341	984994515	/nfs/dbraw/zinc/99/45/15/984994515.db2.gz	IBGXVXDZQZNDRM-UHFFFAOYSA-N	-1	0	292.722	3.776	20	30		CHEDRM
CC(C)(C)[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC001589723412	987900750	/nfs/dbraw/zinc/90/07/50/987900750.db2.gz	XHNGRVPFEYYGEU-NSHDSACASA-N	-1	0	283.780	3.803	20	30		CHEDRM
CCc1ccc(N[C@H](C)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC001597551105	988271236	/nfs/dbraw/zinc/27/12/36/988271236.db2.gz	BGTXIKLXPRVQIK-GFCCVEGCSA-N	-1	0	294.354	3.992	20	30		CHEDRM
CCc1ccc(NCCCC(C)(C)C#N)c(C(=O)[O-])c1	ZINC001597551221	988272384	/nfs/dbraw/zinc/27/23/84/988272384.db2.gz	CZNYEXBTFLYCED-UHFFFAOYSA-N	-1	0	274.364	3.689	20	30		CHEDRM
CC(C)(C)c1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC001590472380	990044761	/nfs/dbraw/zinc/04/47/61/990044761.db2.gz	OASPVVVXLSSALF-RUDMXATFSA-N	-1	0	297.354	3.907	20	30		CHEDRM
CC(C)[C@H]1c2ccccc2C(=O)/C1=C/c1c[nH]c(C(=O)[O-])c1	ZINC001591067602	991514310	/nfs/dbraw/zinc/51/43/10/991514310.db2.gz	GGVWNNMLRVDAIP-KAMPRCONSA-N	-1	0	295.338	3.732	20	30		CHEDRM
CC(C)C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC001591191393	992002523	/nfs/dbraw/zinc/00/25/23/992002523.db2.gz	ZCBLZICPVRTGFB-GFCCVEGCSA-N	-1	0	283.780	3.803	20	30		CHEDRM
C[C@@H](SCc1ccc(C(=O)[O-])cn1)c1cccc(C#N)c1	ZINC001593661425	996037084	/nfs/dbraw/zinc/03/70/84/996037084.db2.gz	AFCALGYYMHFBQB-LLVKDONJSA-N	-1	0	298.367	3.646	20	30		CHEDRM
CCCCCCCC(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000236841573	1121166409	/nfs/dbraw/zinc/16/64/09/1121166409.db2.gz	FHLVBKCEBPUEKN-GFCCVEGCSA-N	-1	0	297.420	3.741	20	30		CHEDRM
N#Cc1cccc(F)c1Nc1cc(Cl)c([O-])cc1F	ZINC001250022542	1122088957	/nfs/dbraw/zinc/08/89/57/1122088957.db2.gz	LYUUXNZBGXXPEO-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1cnoc1	ZINC001201834241	1123154296	/nfs/dbraw/zinc/15/42/96/1123154296.db2.gz	LUOPQHGVYVTEGA-UHFFFAOYSA-N	-1	0	288.413	3.557	20	30		CHEDRM
N#Cc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1F	ZINC001211964778	1125530524	/nfs/dbraw/zinc/53/05/24/1125530524.db2.gz	BBINJLOIVZHDDA-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c([O-])c1	ZINC000218790277	1125662538	/nfs/dbraw/zinc/66/25/38/1125662538.db2.gz	GIXFNAHZTOHXJQ-VURMDHGXSA-N	-1	0	283.283	3.505	20	30		CHEDRM
C=CCN(Cc1c([O-])ccc(Cl)c1F)CC(F)(F)F	ZINC000792166642	1130433834	/nfs/dbraw/zinc/43/38/34/1130433834.db2.gz	FEOKURAYJQQNIX-UHFFFAOYSA-N	-1	0	297.679	3.735	20	30		CHEDRM
Cc1ccc(C)c(NC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001202767840	1126771443	/nfs/dbraw/zinc/77/14/43/1126771443.db2.gz	JNXNOGVEKWKVMH-UHFFFAOYSA-N	-1	0	281.315	3.525	20	30		CHEDRM
N#CCCN(Cc1ccco1)Cc1cccc(Cl)c1[O-]	ZINC000183498654	1126887802	/nfs/dbraw/zinc/88/78/02/1126887802.db2.gz	GGCPEIGRFAXQTI-UHFFFAOYSA-N	-1	0	290.750	3.554	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3CCC[C@@H]3C2)cc1F	ZINC000905475590	1126902667	/nfs/dbraw/zinc/90/26/67/1126902667.db2.gz	DARPSZUTQDSOPU-NXEZZACHSA-N	-1	0	276.311	3.502	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)oc1C	ZINC000129434593	1127105236	/nfs/dbraw/zinc/10/52/36/1127105236.db2.gz	TVVUSMPXBJWRGL-NSHDSACASA-N	-1	0	288.372	3.966	20	30		CHEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058078399	1127308013	/nfs/dbraw/zinc/30/80/13/1127308013.db2.gz	XUNUMFQAQQBAHL-GFCCVEGCSA-N	-1	0	289.441	3.822	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2ncsc2C(C)C)n1	ZINC000355116553	1127319076	/nfs/dbraw/zinc/31/90/76/1127319076.db2.gz	GXCCXCDERYOYCO-SECBINFHSA-N	-1	0	291.401	3.522	20	30		CHEDRM
CCC1=NN(c2ccc(C#N)c(Cl)c2)C(=O)[C@H]1C(C)C	ZINC000601950503	1127553743	/nfs/dbraw/zinc/55/37/43/1127553743.db2.gz	VGONQBQMUOJXEI-AWEZNQCLSA-N	-1	0	289.766	3.596	20	30		CHEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nccc2ccccc21	ZINC000361530164	1127570070	/nfs/dbraw/zinc/57/00/70/1127570070.db2.gz	YHQMPWZMJDKMOK-GFCCVEGCSA-N	-1	0	296.713	3.971	20	30		CHEDRM
N#CC(=C([O-])c1cccs1)c1cc(C(F)(F)F)ccn1	ZINC000362180407	1127617257	/nfs/dbraw/zinc/61/72/57/1127617257.db2.gz	GPACCUQTFDODGQ-VIFPVBQESA-N	-1	0	296.273	3.652	20	30		CHEDRM
Cc1[n-]n(-c2ccc(Cl)cc2Cl)c(=O)c1CCC#N	ZINC000603923372	1127682736	/nfs/dbraw/zinc/68/27/36/1127682736.db2.gz	COFFUGQNFVWXIY-JTQLQIEISA-N	-1	0	296.157	3.636	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000915105800	1128282803	/nfs/dbraw/zinc/28/28/03/1128282803.db2.gz	FHAPPYKKMPLICV-DHZHZOJOSA-N	-1	0	280.323	3.518	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)s1	ZINC000915105836	1128283564	/nfs/dbraw/zinc/28/35/64/1128283564.db2.gz	GVZBKTCCQFEXCR-CMDGGOBGSA-N	-1	0	286.352	3.580	20	30		CHEDRM
CCC(C[C@@H](C)CC)N=Nc1cccc(C(=O)[O-])c1	ZINC000915935206	1128397435	/nfs/dbraw/zinc/39/74/35/1128397435.db2.gz	APBUYBPVAQHKBM-NSHDSACASA-N	-1	0	262.353	3.999	20	30		CHEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1cc(F)ccc1F)O2	ZINC000915988749	1128401868	/nfs/dbraw/zinc/40/18/68/1128401868.db2.gz	FOIOAIYWHNRVHG-MKMNVTDBSA-N	-1	0	288.249	3.595	20	30		CHEDRM
CC(C)Oc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000916240334	1128412158	/nfs/dbraw/zinc/41/21/58/1128412158.db2.gz	FLJMNAIOWUTWKA-UHFFFAOYSA-N	-1	0	298.342	3.618	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000916240543	1128412220	/nfs/dbraw/zinc/41/22/20/1128412220.db2.gz	GPWSSSLOWPJGAU-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
Cc1cc(C)c(C=NNc2cccc(C(=O)[O-])c2)c(C)c1	ZINC000916255362	1128412369	/nfs/dbraw/zinc/41/23/69/1128412369.db2.gz	VNIHAOFTEPCSGA-UHFFFAOYSA-N	-1	0	282.343	3.756	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCCCc3ccccc32)cc1	ZINC000916240834	1128412384	/nfs/dbraw/zinc/41/23/84/1128412384.db2.gz	QMXKHPAISHXGCE-UHFFFAOYSA-N	-1	0	294.354	3.927	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1	ZINC000916240623	1128412480	/nfs/dbraw/zinc/41/24/80/1128412480.db2.gz	ILSFVYYEFXJHBN-UHFFFAOYSA-N	-1	0	294.310	3.967	20	30		CHEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000128573728	1128504548	/nfs/dbraw/zinc/50/45/48/1128504548.db2.gz	IXKULEPHISOFTR-GFCCVEGCSA-N	-1	0	293.326	3.517	20	30		CHEDRM
N#Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC000566291775	1128541941	/nfs/dbraw/zinc/54/19/41/1128541941.db2.gz	UNLKFXQKCAJZRY-UHFFFAOYSA-N	-1	0	291.228	3.942	20	30		CHEDRM
COc1ccsc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000764442352	1118092476	/nfs/dbraw/zinc/09/24/76/1118092476.db2.gz	OXVWMBQLQRXJSF-NSCUHMNNSA-N	-1	0	296.294	3.637	20	30		CHEDRM
N#Cc1nc2ccc(Nc3ccc(F)cc3O)cc2s1	ZINC001210016371	1118132566	/nfs/dbraw/zinc/13/25/66/1118132566.db2.gz	FYPLOFFVCHPPEN-UHFFFAOYSA-N	-1	0	285.303	3.756	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc2ccncc21	ZINC001210224589	1118213149	/nfs/dbraw/zinc/21/31/49/1118213149.db2.gz	SCPVVWRQCKUVIN-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
N#Cc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)cc1	ZINC000065349675	1118247851	/nfs/dbraw/zinc/24/78/51/1118247851.db2.gz	WGMDAYWSTQPXPI-UHFFFAOYSA-N	-1	0	257.676	3.577	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1cc([O-])c(F)c(F)c1	ZINC001210376089	1118264335	/nfs/dbraw/zinc/26/43/35/1118264335.db2.gz	IRAPUVYWUYRUAX-UHFFFAOYSA-N	-1	0	260.243	3.594	20	30		CHEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(F)cc1	ZINC000255180824	1118402906	/nfs/dbraw/zinc/40/29/06/1118402906.db2.gz	MBURZEOTVQOZDK-XFSBKJJWSA-N	-1	0	260.239	3.567	20	30		CHEDRM
N#CCc1cc(Nc2cccc(O)c2Cl)ccc1F	ZINC001210859748	1118411054	/nfs/dbraw/zinc/41/10/54/1118411054.db2.gz	MORSDSBBHMFIEE-UHFFFAOYSA-N	-1	0	276.698	3.994	20	30		CHEDRM
COc1ccc(C#N)c(Nc2cccc([S-])c2)c1	ZINC001210949309	1118430320	/nfs/dbraw/zinc/43/03/20/1118430320.db2.gz	BSWKLMLFKWRJAB-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
C[C@@H](C#N)c1ccc(Nc2ccccc2C(=O)[O-])cc1	ZINC001210967759	1118433241	/nfs/dbraw/zinc/43/32/41/1118433241.db2.gz	WHOGFQRQLDRHGF-NSHDSACASA-N	-1	0	266.300	3.755	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2ccccc2C(=O)[O-])c1	ZINC001210967643	1118433342	/nfs/dbraw/zinc/43/33/42/1118433342.db2.gz	OKCXQJRSICBKNZ-UHFFFAOYSA-N	-1	0	280.327	3.930	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CCC3(CC3)CC2)c(F)c1	ZINC000835012787	1118769022	/nfs/dbraw/zinc/76/90/22/1118769022.db2.gz	UYAXBBYCRYIPDS-UHFFFAOYSA-N	-1	0	276.311	3.646	20	30		CHEDRM
C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000022728962	1118822421	/nfs/dbraw/zinc/82/24/21/1118822421.db2.gz	CUMCITJWYUVEII-OOIIIRTPSA-N	-1	0	284.315	3.523	20	30		CHEDRM
CC(=NNc1ccc(F)cc1)c1ccc(O)c(F)c1	ZINC000728427091	1118927176	/nfs/dbraw/zinc/92/71/76/1118927176.db2.gz	ICGMAVVZSMLTOF-UHFFFAOYSA-N	-1	0	262.259	3.507	20	30		CHEDRM
C=CCOc1ccccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728441362	1118951600	/nfs/dbraw/zinc/95/16/00/1118951600.db2.gz	IDHWYQKZWKSMNU-VQHVLOKHSA-N	-1	0	298.313	3.992	20	30		CHEDRM
Cc1cc(Nc2cccc(C)c2C#N)cc(C(=O)[O-])c1	ZINC001211542222	1119055824	/nfs/dbraw/zinc/05/58/24/1119055824.db2.gz	DMKBSQILYNLERQ-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(Nc2ccc(C#N)cc2Cl)cc(C(=O)[O-])c1	ZINC001211542439	1119057072	/nfs/dbraw/zinc/05/70/72/1119057072.db2.gz	JQQCKCGMOFBUCQ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1	ZINC000048518027	1119081780	/nfs/dbraw/zinc/08/17/80/1119081780.db2.gz	FPTINZCRJNYOOM-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
O=C(/C=C/c1cccc2cnccc12)c1ccccc1[O-]	ZINC000180932634	1128823883	/nfs/dbraw/zinc/82/38/83/1128823883.db2.gz	VLDLGYVJKXMZKS-CMDGGOBGSA-N	-1	0	275.307	3.837	20	30		CHEDRM
O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc([O-])c(F)c1	ZINC000255561606	1119272821	/nfs/dbraw/zinc/27/28/21/1119272821.db2.gz	FMQYVDAKWZNOAF-ALCCZGGFSA-N	-1	0	296.297	3.746	20	30		CHEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(F)c(C#N)c1F	ZINC001211624320	1119606193	/nfs/dbraw/zinc/60/61/93/1119606193.db2.gz	CDCNJBCPLNZPON-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C=CCCCNc1cc(Br)cc(C(=O)[O-])c1	ZINC000309134876	1119624333	/nfs/dbraw/zinc/62/43/33/1119624333.db2.gz	KRLFHQCSISGXGG-UHFFFAOYSA-N	-1	0	284.153	3.525	20	30		CHEDRM
Cc1csc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647380091	1119712582	/nfs/dbraw/zinc/71/25/82/1119712582.db2.gz	INVNSKMODVJNCL-SNVBAGLBSA-N	-1	0	288.397	3.881	20	30		CHEDRM
Cc1nc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2o1	ZINC000255755174	1119738747	/nfs/dbraw/zinc/73/87/47/1119738747.db2.gz	LPTAZQSUXMFXQM-UHFFFAOYSA-N	-1	0	297.270	3.501	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)cc1C	ZINC000069579259	1128884574	/nfs/dbraw/zinc/88/45/74/1128884574.db2.gz	RGBHAAHIFLTUFX-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176820587	1120208658	/nfs/dbraw/zinc/20/86/58/1120208658.db2.gz	OKQOWGFSGVXNKH-ZDUSSCGKSA-N	-1	0	294.354	3.705	20	30		CHEDRM
C[C@H](C#N)Oc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000191478175	1120523217	/nfs/dbraw/zinc/52/32/17/1120523217.db2.gz	YHIRWDCVKMRDCR-TZOMUSMUSA-N	-1	0	299.351	3.641	20	30		CHEDRM
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001211663709	1120708082	/nfs/dbraw/zinc/70/80/82/1120708082.db2.gz	XFOZSWKVJGNVRO-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
N#Cc1ccc(Cl)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174808015	1121054215	/nfs/dbraw/zinc/05/42/15/1121054215.db2.gz	POEBBPIRFOMAHU-UHFFFAOYSA-N	-1	0	278.720	3.715	20	30		CHEDRM
N#Cc1c(F)c(Cl)ccc1Nc1ccc(C(=O)[O-])s1	ZINC001174807323	1121055000	/nfs/dbraw/zinc/05/50/00/1121055000.db2.gz	IKXCXESTBKKGED-UHFFFAOYSA-N	-1	0	296.710	3.854	20	30		CHEDRM
C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(F)c1[O-]	ZINC001128600777	1121073520	/nfs/dbraw/zinc/07/35/20/1121073520.db2.gz	RTWLBHRKEZZTRG-UHFFFAOYSA-N	-1	0	299.345	3.750	20	30		CHEDRM
Cc1sc(Nc2ccc(CC(=O)[O-])cc2)c(C#N)c1C	ZINC001174949944	1121108555	/nfs/dbraw/zinc/10/85/55/1121108555.db2.gz	QBKJXRPNBVYCHD-UHFFFAOYSA-N	-1	0	286.356	3.607	20	30		CHEDRM
N#Cc1cc(Cl)cc(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174953125	1121109610	/nfs/dbraw/zinc/10/96/10/1121109610.db2.gz	MABNDIDDXQVZCE-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)c(C#N)cc1F	ZINC001174981351	1121140043	/nfs/dbraw/zinc/14/00/43/1121140043.db2.gz	BUQBLCIVEDFZAJ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
C#Cc1cc(Nc2cc(C(=O)[O-])ccc2C)ccc1F	ZINC001174981971	1121140089	/nfs/dbraw/zinc/14/00/89/1121140089.db2.gz	JZUQVTLYAHVLLQ-UHFFFAOYSA-N	-1	0	269.275	3.557	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cccc(C)c1C#N	ZINC001174982795	1121141142	/nfs/dbraw/zinc/14/11/42/1121141142.db2.gz	ZXJMQZGROCONKB-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cc(C(=O)[O-])ccc2C)c1	ZINC001174986596	1121142693	/nfs/dbraw/zinc/14/26/93/1121142693.db2.gz	RJBZJXPVXIEUJO-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2C3CC4CC(C3)CC2C4)c1	ZINC000006673781	1121170617	/nfs/dbraw/zinc/17/06/17/1121170617.db2.gz	CZXTUSGVTSXDKH-UHFFFAOYSA-N	-1	0	284.359	3.609	20	30		CHEDRM
N#CCc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC001175319170	1121280179	/nfs/dbraw/zinc/28/01/79/1121280179.db2.gz	PDHPFLSYGVMJGA-UHFFFAOYSA-N	-1	0	286.718	3.848	20	30		CHEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1F	ZINC001175319122	1121280482	/nfs/dbraw/zinc/28/04/82/1121280482.db2.gz	NBJUGKZONHJWKV-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1	ZINC001175328949	1121285905	/nfs/dbraw/zinc/28/59/05/1121285905.db2.gz	FULQMOCSBYQHAS-UHFFFAOYSA-N	-1	0	266.300	3.562	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc2scnc2c1	ZINC001175915247	1121497864	/nfs/dbraw/zinc/49/78/64/1121497864.db2.gz	PDMIPRLXPDLCRM-UHFFFAOYSA-N	-1	0	273.342	3.679	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1csc(C(=O)[O-])c1	ZINC001206257469	1121512266	/nfs/dbraw/zinc/51/22/66/1121512266.db2.gz	VOOOJWWKCDWKAM-UHFFFAOYSA-N	-1	0	259.330	3.545	20	30		CHEDRM
N#CCc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1	ZINC001176586466	1121647685	/nfs/dbraw/zinc/64/76/85/1121647685.db2.gz	HGQTUMUBDUUFCX-UHFFFAOYSA-N	-1	0	292.338	3.612	20	30		CHEDRM
COc1cc(Nc2ccc(F)c(C#N)c2)ccc1[S-]	ZINC001176618287	1121662319	/nfs/dbraw/zinc/66/23/19/1121662319.db2.gz	LYNSYRRPERIJSF-UHFFFAOYSA-N	-1	0	274.320	3.738	20	30		CHEDRM
N#CCCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000171417222	1121687641	/nfs/dbraw/zinc/68/76/41/1121687641.db2.gz	CRGISCSZOASWMF-LZYBPNLTSA-N	-1	0	271.147	3.812	20	30		CHEDRM
C[C@@H](CC#N)Sc1ccccc1[N-]C(=S)NC1CC1	ZINC000731322067	1121860820	/nfs/dbraw/zinc/86/08/20/1121860820.db2.gz	UCCFWLWMGXEKSX-JTQLQIEISA-N	-1	0	291.445	3.530	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\CCc3cc(F)ccc3C2=O)c1	ZINC000774133005	1122132803	/nfs/dbraw/zinc/13/28/03/1122132803.db2.gz	ZGJGNIXMKAEXTF-MDWZMJQESA-N	-1	0	296.297	3.736	20	30		CHEDRM
C[C@H](C(=O)Nc1ccccc1[S-])c1ccc(C#N)cc1	ZINC001182798854	1122188450	/nfs/dbraw/zinc/18/84/50/1122188450.db2.gz	RVEZJBJGJLCEEG-NSHDSACASA-N	-1	0	282.368	3.589	20	30		CHEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)cc1O	ZINC000620305806	1129050215	/nfs/dbraw/zinc/05/02/15/1129050215.db2.gz	RPPHUPHQJOVQAQ-GASCZTMLSA-N	-1	0	285.387	3.839	20	30		CHEDRM
N#Cc1ccc(Nc2c(F)ccc([O-])c2Cl)cc1C#N	ZINC001250232130	1122376591	/nfs/dbraw/zinc/37/65/91/1122376591.db2.gz	AAAAWVBCXNUVHP-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
C=CCN(C(=O)c1c([O-])ccc(F)c1F)C1CCCCC1	ZINC001192754547	1122658702	/nfs/dbraw/zinc/65/87/02/1122658702.db2.gz	SBRZQCPXXYFKSS-UHFFFAOYSA-N	-1	0	295.329	3.631	20	30		CHEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518876	1122709967	/nfs/dbraw/zinc/70/99/67/1122709967.db2.gz	GNXRAVMLIZUXBO-UHFFFAOYSA-N	-1	0	289.784	3.566	20	30		CHEDRM
O=C(/C=C\c1nc2c(s1)CCCC2)c1ccccc1[O-]	ZINC000776266511	1123194801	/nfs/dbraw/zinc/19/48/01/1123194801.db2.gz	RRUUEYHDWQMREE-KTKRTIGZSA-N	-1	0	285.368	3.624	20	30		CHEDRM
CCCCCCCCCC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000108014060	1123229364	/nfs/dbraw/zinc/22/93/64/1123229364.db2.gz	YVYNSMMMJKOTLH-OAHLLOKOSA-N	-1	0	297.439	3.840	20	30		CHEDRM
O=C(/C=C\c1cc(F)cc(Cl)c1)c1ccc(O)cc1[O-]	ZINC000776720855	1123477325	/nfs/dbraw/zinc/47/73/25/1123477325.db2.gz	UOQDJYIFPKUYGO-RJRFIUFISA-N	-1	0	292.693	3.786	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000856371923	1123558830	/nfs/dbraw/zinc/55/88/30/1123558830.db2.gz	BOPYWCWAVKKZFC-UHFFFAOYSA-N	-1	0	290.388	3.591	20	30		CHEDRM
CCc1cccnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000346919412	1123733221	/nfs/dbraw/zinc/73/32/21/1123733221.db2.gz	QNWHHFDSYBJPRA-LBPRGKRZSA-N	-1	0	299.399	3.714	20	30		CHEDRM
CCn1cc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000794675651	1123926832	/nfs/dbraw/zinc/92/68/32/1123926832.db2.gz	DYYDITVNVRQJGR-FRKPEAEDSA-N	-1	0	298.173	3.535	20	30		CHEDRM
Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N	ZINC001203327303	1123958236	/nfs/dbraw/zinc/95/82/36/1123958236.db2.gz	GAZNUZAAQUVHBY-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1nc2ccccc2s1	ZINC000819937548	1131270320	/nfs/dbraw/zinc/27/03/20/1131270320.db2.gz	TXBMXQYBCLFNBT-SNVBAGLBSA-N	-1	0	286.331	3.880	20	30		CHEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000819978181	1131270561	/nfs/dbraw/zinc/27/05/61/1131270561.db2.gz	OVQZVYKZRKJJSK-LLVKDONJSA-N	-1	0	275.348	3.526	20	30		CHEDRM
C=C(C)CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC001120736570	1131280130	/nfs/dbraw/zinc/28/01/30/1131280130.db2.gz	SNKDOWGJBOEZLW-UHFFFAOYSA-N	-1	0	288.174	3.672	20	30		CHEDRM
N#Cc1ccc2cc(-c3ccc(C(=O)[O-])cc3F)ccc2n1	ZINC001239266950	1131310003	/nfs/dbraw/zinc/31/00/03/1131310003.db2.gz	OYQRJOQEOQQREA-UHFFFAOYSA-N	-1	0	292.269	3.611	20	30		CHEDRM
N#CCCc1cccc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239255910	1131308337	/nfs/dbraw/zinc/30/83/37/1131308337.db2.gz	FRBHTHFOYWAAQD-UHFFFAOYSA-N	-1	0	269.275	3.647	20	30		CHEDRM
N#CC1(c2cccc(-c3cc(F)c(C(=O)[O-])c(F)c3)c2)CC1	ZINC001239352374	1131321172	/nfs/dbraw/zinc/32/11/72/1131321172.db2.gz	BYFDKOZBABIJCZ-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
N#CCc1cc(F)ccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239352247	1131321750	/nfs/dbraw/zinc/32/17/50/1131321750.db2.gz	RQBZAUHHTYOQLV-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)s1	ZINC000129532187	1125341657	/nfs/dbraw/zinc/34/16/57/1125341657.db2.gz	LTQRCLAXWLPHPR-GQCTYLIASA-N	-1	0	289.312	3.566	20	30		CHEDRM
CC[C@@H](C)CON=c1nccc(Oc2cccc(C#N)c2)[n-]1	ZINC000882392934	1125344752	/nfs/dbraw/zinc/34/47/52/1125344752.db2.gz	UZYCTBHZXJMGGJ-GFCCVEGCSA-N	-1	0	298.346	3.530	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c(C)c1	ZINC000213229571	1125359223	/nfs/dbraw/zinc/35/92/23/1125359223.db2.gz	DJLJPZUAWQJGPM-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2oc3ccccc3c2C)n1	ZINC000041521676	1125433629	/nfs/dbraw/zinc/43/36/29/1125433629.db2.gz	BPCRIVYUXCXURL-LBPRGKRZSA-N	-1	0	296.351	3.996	20	30		CHEDRM
N#CC(=C([O-])c1ccoc1)c1nc(-c2ccccc2)cs1	ZINC000041533425	1125434127	/nfs/dbraw/zinc/43/41/27/1125434127.db2.gz	ZHIHOFJODPTSAZ-CYBMUJFWSA-N	-1	0	294.335	3.893	20	30		CHEDRM
COc1ccccc1/C=C/C=C1/Cc2cc(O)ccc2C1=O	ZINC000187222609	1129281705	/nfs/dbraw/zinc/28/17/05/1129281705.db2.gz	YDQRACBLTKHKCN-XTYQBWKXSA-N	-1	0	292.334	3.779	20	30		CHEDRM
Cc1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1	ZINC000187222527	1129281852	/nfs/dbraw/zinc/28/18/52/1129281852.db2.gz	YWYKVUUFAGHCDX-RIYZIHGNSA-N	-1	0	250.297	3.523	20	30		CHEDRM
Cc1ccc(F)c(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000734981890	1129327519	/nfs/dbraw/zinc/32/75/19/1129327519.db2.gz	XYPNBSXYGWJHMT-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@H]2C2CCCCC2)c1	ZINC000741465768	1129436783	/nfs/dbraw/zinc/43/67/83/1129436783.db2.gz	YFXDNYOPPKVKAA-KBQQKMGSSA-N	-1	0	288.347	3.688	20	30		CHEDRM
CCCCCC[C@@H](C)NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000743449077	1129524771	/nfs/dbraw/zinc/52/47/71/1129524771.db2.gz	MNIFFNWRNODVED-GFCCVEGCSA-N	-1	0	293.367	3.583	20	30		CHEDRM
CCCCCC[C@H](C)NN=Cc1ccccc1C(=O)[O-]	ZINC000743451006	1129525195	/nfs/dbraw/zinc/52/51/95/1129525195.db2.gz	WTLLUKWAJZQSII-ZDUSSCGKSA-N	-1	0	276.380	3.667	20	30		CHEDRM
CCCCCC[C@H](C)NN=Cc1ccc(C(=O)[O-])cc1	ZINC000743450034	1129525469	/nfs/dbraw/zinc/52/54/69/1129525469.db2.gz	FAEDKXFKSWHBRB-ZDUSSCGKSA-N	-1	0	276.380	3.667	20	30		CHEDRM
Cc1cc(C)cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000303252705	1129537143	/nfs/dbraw/zinc/53/71/43/1129537143.db2.gz	BQYZHDPXQDWKJM-GQCTYLIASA-N	-1	0	297.310	3.813	20	30		CHEDRM
Cc1ccsc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647371551	1129576354	/nfs/dbraw/zinc/57/63/54/1129576354.db2.gz	SWPVEHDNQURACK-SNVBAGLBSA-N	-1	0	288.397	3.881	20	30		CHEDRM
CCc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)s1	ZINC000744555122	1129581787	/nfs/dbraw/zinc/58/17/87/1129581787.db2.gz	CQUXOYHYTDPRQK-UHFFFAOYSA-N	-1	0	288.372	3.845	20	30		CHEDRM
N#Cc1ccsc1Nc1ccc(Cl)c([O-])c1	ZINC001212588642	1129717410	/nfs/dbraw/zinc/71/74/10/1129717410.db2.gz	WONDQZGASUCSLG-UHFFFAOYSA-N	-1	0	250.710	3.722	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1ccc(Cl)c([O-])c1	ZINC001212592179	1129742414	/nfs/dbraw/zinc/74/24/14/1129742414.db2.gz	CDMNXWRRNHXABO-UHFFFAOYSA-N	-1	0	262.671	3.800	20	30		CHEDRM
C[C@@H]1C(N=Nc2cccc(C(=O)[O-])c2)C[C@@H]1c1ccccc1	ZINC000767745192	1129812023	/nfs/dbraw/zinc/81/20/23/1129812023.db2.gz	ZUZRNUIFPAAYSN-LRDDRELGSA-N	-1	0	294.354	3.976	20	30		CHEDRM
[O-]/N=C/c1ccc(F)c(-c2ccc(F)c(F)c2)c1	ZINC001239585600	1131400040	/nfs/dbraw/zinc/40/00/40/1131400040.db2.gz	KGFZOAHEGJBKFD-REZTVBANSA-N	-1	0	251.207	3.579	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCC(F)(F)C2)c1	ZINC000800721403	1129885929	/nfs/dbraw/zinc/88/59/29/1129885929.db2.gz	MKQMKQYKZOIJBD-VJCPFXPRSA-N	-1	0	298.289	3.545	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCC[C@H]2CCCF)c1	ZINC000800803596	1129889187	/nfs/dbraw/zinc/88/91/87/1129889187.db2.gz	IZZFDRYEADPURD-NSHDSACASA-N	-1	0	278.327	3.703	20	30		CHEDRM
CC(=NN=c1ccc2ccccc2[nH]1)c1sccc1[O-]	ZINC000769763721	1129922530	/nfs/dbraw/zinc/92/25/30/1129922530.db2.gz	HXYKUQTWXVXCOL-UHFFFAOYSA-N	-1	0	283.356	3.838	20	30		CHEDRM
CC(=NNc1c(C)cccc1F)c1sccc1[O-]	ZINC000769828388	1129927639	/nfs/dbraw/zinc/92/76/39/1129927639.db2.gz	SVNDIUVQKHCTAD-UHFFFAOYSA-N	-1	0	264.325	3.737	20	30		CHEDRM
N#Cc1ccc2ncnc(-c3cccc([O-])c3Cl)c2c1	ZINC001242797642	1130047518	/nfs/dbraw/zinc/04/75/18/1130047518.db2.gz	LFUGKOFERKDCDU-UHFFFAOYSA-N	-1	0	281.702	3.527	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)C2CCCCCCC2)c1	ZINC000748411277	1130231388	/nfs/dbraw/zinc/23/13/88/1130231388.db2.gz	YNCLTIHHHXVIGP-UHFFFAOYSA-N	-1	0	272.348	3.563	20	30		CHEDRM
COc1ccc(C)cc1/C=C1\Cc2cc(O)ccc2C1=O	ZINC000780186811	1130233973	/nfs/dbraw/zinc/23/39/73/1130233973.db2.gz	OEFCCWIKNDKWCD-NTEUORMPSA-N	-1	0	280.323	3.532	20	30		CHEDRM
Cc1nc(-c2cccc(/C=C/C(=O)[O-])c2)c(C#N)c(C)c1C	ZINC001240549117	1130351703	/nfs/dbraw/zinc/35/17/03/1130351703.db2.gz	SDYXCPVVPLVNAV-BQYQJAHWSA-N	-1	0	292.338	3.643	20	30		CHEDRM
N#CCCc1cccc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240549656	1130352723	/nfs/dbraw/zinc/35/27/23/1130352723.db2.gz	TWJRTTFIHQYWOH-MDZDMXLPSA-N	-1	0	277.323	3.908	20	30		CHEDRM
N#CC1(c2cccc(-c3ccc(CC(=O)[O-])cc3)c2)CC1	ZINC001240973077	1130544642	/nfs/dbraw/zinc/54/46/42/1130544642.db2.gz	ALOZQNPOEJDKQS-UHFFFAOYSA-N	-1	0	277.323	3.536	20	30		CHEDRM
C=CCOCc1cccc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240975931	1130545797	/nfs/dbraw/zinc/54/57/97/1130545797.db2.gz	FFSRTTQSKLFEFI-UHFFFAOYSA-N	-1	0	282.339	3.683	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1cc(F)c(F)c(F)c1	ZINC001240982302	1130550051	/nfs/dbraw/zinc/55/00/51/1130550051.db2.gz	ZUNHCXCPOTXQST-UHFFFAOYSA-N	-1	0	251.207	3.579	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CCC#N)cc1	ZINC001241001038	1130558760	/nfs/dbraw/zinc/55/87/60/1130558760.db2.gz	RAXYIVDQJPVSLG-UHFFFAOYSA-N	-1	0	265.312	3.816	20	30		CHEDRM
Cc1oc2ccccc2c1C=NNc1cccc(C(=O)[O-])c1	ZINC000758088821	1130597322	/nfs/dbraw/zinc/59/73/22/1130597322.db2.gz	FBZDMVQSFFOFCB-UHFFFAOYSA-N	-1	0	294.310	3.885	20	30		CHEDRM
O=C(/C=C/C=C\c1ccc(F)cc1)c1ccc(O)cc1[O-]	ZINC000747694468	1130600772	/nfs/dbraw/zinc/60/07/72/1130600772.db2.gz	XXZJTXOZUFDEAM-HSFFGMMNSA-N	-1	0	284.286	3.689	20	30		CHEDRM
CC(=NOCc1ccc(F)cc1)c1cc(F)cc(F)c1[O-]	ZINC000758145414	1130601503	/nfs/dbraw/zinc/60/15/03/1130601503.db2.gz	WMCNNWUTVFVXAO-UHFFFAOYSA-N	-1	0	295.260	3.750	20	30		CHEDRM
O=C(/C=C\c1nc(Cl)cs1)c1cc(F)ccc1[O-]	ZINC000759082000	1130636013	/nfs/dbraw/zinc/63/60/13/1130636013.db2.gz	AZSPOZBVFHTHIF-ARJAWSKDSA-N	-1	0	283.711	3.537	20	30		CHEDRM
COc1cc(/C=C\C(C)=O)ccc1O[C@H](C)C1=CC=C[CH]1	ZINC001234340441	1130637261	/nfs/dbraw/zinc/63/72/61/1130637261.db2.gz	YLWNSBKGMPBKLC-QIAWRQBBSA-N	-1	0	283.347	3.765	20	30		CHEDRM
CCCCCC(C)(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759716892	1130671357	/nfs/dbraw/zinc/67/13/57/1130671357.db2.gz	FVZIJOZNDFSNMS-UHFFFAOYSA-N	-1	0	274.364	3.809	20	30		CHEDRM
C=C[C@H](CCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234814193	1130677699	/nfs/dbraw/zinc/67/76/99/1130677699.db2.gz	NPJGWPXZWJIRNV-GFCCVEGCSA-N	-1	0	274.316	3.541	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCCCF	ZINC000812444291	1130690771	/nfs/dbraw/zinc/69/07/71/1130690771.db2.gz	BZXLCZVNSBJHPB-CHHVJCJISA-N	-1	0	264.127	3.868	20	30		CHEDRM
N#CCc1cc(F)cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001235030336	1130702405	/nfs/dbraw/zinc/70/24/05/1130702405.db2.gz	WMLKBCWUUJFRCY-UHFFFAOYSA-N	-1	0	295.313	3.675	20	30		CHEDRM
N#Cc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1	ZINC001245000433	1130758723	/nfs/dbraw/zinc/75/87/23/1130758723.db2.gz	BZAZXGCMNLFSLX-UHFFFAOYSA-N	-1	0	293.109	3.625	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cc(F)ccc2F)c1	ZINC000782201307	1130762316	/nfs/dbraw/zinc/76/23/16/1130762316.db2.gz	SPEXYBXKHIYOGI-RQOWECAXSA-N	-1	0	294.278	3.621	20	30		CHEDRM
N#CCc1c(F)cccc1-c1c(F)cc(F)c([O-])c1F	ZINC001236000104	1130826497	/nfs/dbraw/zinc/82/64/97/1130826497.db2.gz	DZGGROFADYGCBK-UHFFFAOYSA-N	-1	0	281.208	3.682	20	30		CHEDRM
CSc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000216800703	1130828785	/nfs/dbraw/zinc/82/87/85/1130828785.db2.gz	KGGQFROOWCKPNR-WTKPLQERSA-N	-1	0	286.352	3.716	20	30		CHEDRM
Cc1sccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814690121	1130901350	/nfs/dbraw/zinc/90/13/50/1130901350.db2.gz	UYMXLGYWVQDGLJ-UHFFFAOYSA-N	-1	0	294.763	3.854	20	30		CHEDRM
C[C@@H](CN=Nc1ccccc1C(=O)[O-])C1CCCCC1	ZINC000814768388	1130908989	/nfs/dbraw/zinc/90/89/89/1130908989.db2.gz	USZWLNQYMISVER-LBPRGKRZSA-N	-1	0	274.364	3.999	20	30		CHEDRM
Cc1c(Cl)cccc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814802200	1130913109	/nfs/dbraw/zinc/91/31/09/1130913109.db2.gz	VTUAPPDTACSIOW-ONGXEEELSA-N	-1	0	294.782	3.937	20	30		CHEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc2ncccc12	ZINC000814804307	1130918639	/nfs/dbraw/zinc/91/86/39/1130918639.db2.gz	JIHDUJWGEZDZPY-NEPJUHHUSA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1ccc(F)c(-c2ncc3ccccc3c2C#N)c1[O-]	ZINC001236393438	1130926250	/nfs/dbraw/zinc/92/62/50/1130926250.db2.gz	UWEPNIJMPKYWAC-UHFFFAOYSA-N	-1	0	278.286	3.927	20	30		CHEDRM
CC(=NOCCC(F)(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814909084	1130934622	/nfs/dbraw/zinc/93/46/22/1130934622.db2.gz	DSMBWNAHUAOPOS-VIFPVBQESA-N	-1	0	283.290	3.612	20	30		CHEDRM
COc1ccccc1CON=Cc1cccc(Cl)c1[O-]	ZINC000799116937	1131071328	/nfs/dbraw/zinc/07/13/28/1131071328.db2.gz	FCZWZSBVIXYHHO-UHFFFAOYSA-N	-1	0	291.734	3.605	20	30		CHEDRM
N#Cc1c(F)ccc(-c2cc([O-])c(F)c(F)c2F)c1F	ZINC001245639466	1131099811	/nfs/dbraw/zinc/09/98/11/1131099811.db2.gz	SAQDNVROMKMNIV-UHFFFAOYSA-N	-1	0	285.171	3.626	20	30		CHEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccccc1Cl	ZINC001117739904	1131194644	/nfs/dbraw/zinc/19/46/44/1131194644.db2.gz	TWSKOIXPHWQZCU-NXEZZACHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
Cc1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001202828667	1131507351	/nfs/dbraw/zinc/50/73/51/1131507351.db2.gz	VAQBTXROVGYFLD-UHFFFAOYSA-N	-1	0	299.305	3.664	20	30		CHEDRM
C=CC[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2)C1	ZINC000844564807	1131580554	/nfs/dbraw/zinc/58/05/54/1131580554.db2.gz	HDJHTCQHMPEFAO-NSHDSACASA-N	-1	0	258.321	3.529	20	30		CHEDRM
Cc1c(N=NC2CCC23CCCC3)cccc1C(=O)[O-]	ZINC000844624925	1131587089	/nfs/dbraw/zinc/58/70/89/1131587089.db2.gz	TWZQTEBZGHOOCV-UHFFFAOYSA-N	-1	0	272.348	3.815	20	30		CHEDRM
C=C(C)CO[N-]C(=O)C1(c2cccs2)CCCCC1	ZINC000846537372	1131715019	/nfs/dbraw/zinc/71/50/19/1131715019.db2.gz	LJCYDHFILGCGLA-UHFFFAOYSA-N	-1	0	279.405	3.574	20	30		CHEDRM
C=C[C@H](Oc1[n-]c(=O)nc2sccc21)c1ccccc1	ZINC001227844890	1131749852	/nfs/dbraw/zinc/74/98/52/1131749852.db2.gz	DIJPLAWPEQPEKP-LBPRGKRZSA-N	-1	0	284.340	3.703	20	30		CHEDRM
CC1=C[C@@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835008280	1131753913	/nfs/dbraw/zinc/75/39/13/1131753913.db2.gz	DTPJBZIWCNNBAB-ZYHUDNBSSA-N	-1	0	290.338	3.914	20	30		CHEDRM
CC1=C[C@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835008276	1131754416	/nfs/dbraw/zinc/75/44/16/1131754416.db2.gz	DTPJBZIWCNNBAB-JQWIXIFHSA-N	-1	0	290.338	3.914	20	30		CHEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010309	1131754986	/nfs/dbraw/zinc/75/49/86/1131754986.db2.gz	WWPXJZNESLXNOM-WDEREUQCSA-N	-1	0	278.327	3.748	20	30		CHEDRM
CCc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000835011613	1131755291	/nfs/dbraw/zinc/75/52/91/1131755291.db2.gz	RDJKJGYJOIYKCW-YPMHNXCESA-N	-1	0	274.364	3.538	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@H](C#N)c1ccccc1F	ZINC001229738240	1132112210	/nfs/dbraw/zinc/11/22/10/1132112210.db2.gz	HUFFUUSXMBVVSB-YDDPGSGASA-N	-1	0	284.290	3.668	20	30		CHEDRM
C/C(=N\[O-])c1ccccc1O[C@@H](C#N)c1ccccc1F	ZINC001229738244	1132112452	/nfs/dbraw/zinc/11/24/52/1132112452.db2.gz	HUFFUUSXMBVVSB-ZVCOJXFSSA-N	-1	0	284.290	3.668	20	30		CHEDRM
CCC1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])COC1	ZINC000840710125	1132274183	/nfs/dbraw/zinc/27/41/83/1132274183.db2.gz	PNPQKPXWFZYGBI-FZSIALSZSA-N	-1	0	288.174	3.545	20	30		CHEDRM
CCO[C@H]1C[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000840710014	1132274915	/nfs/dbraw/zinc/27/49/15/1132274915.db2.gz	HLHHQIBMZVSCDG-PNPDOSPCSA-N	-1	0	288.174	3.685	20	30		CHEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc(C2CC2)cs1	ZINC000842939808	1132478638	/nfs/dbraw/zinc/47/86/38/1132478638.db2.gz	XXHVIYZQEPQKQV-FOQNGQEVSA-N	-1	0	284.340	3.503	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214799512	1132552675	/nfs/dbraw/zinc/55/26/75/1132552675.db2.gz	WMENHWHIGBCFTC-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001173853732	1132557223	/nfs/dbraw/zinc/55/72/23/1132557223.db2.gz	GJTPGYHAJQFJBS-UHFFFAOYSA-N	-1	0	272.279	3.545	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1n[n-]c(=O)cc1Cl	ZINC001233589127	1132644037	/nfs/dbraw/zinc/64/40/37/1132644037.db2.gz	IRJQQCOYABADNQ-JBLDHEPKSA-N	-1	0	282.771	3.595	20	30		CHEDRM
CCCCCCCCCC(=O)NOCC(F)(F)F	ZINC000135213907	1132650460	/nfs/dbraw/zinc/65/04/60/1132650460.db2.gz	OCMOLOPAKQNUBM-UHFFFAOYSA-N	-1	0	269.307	3.737	20	30		CHEDRM
C=C[C@@H](Oc1cc([O-])cc2occc(=O)c12)c1ccccc1	ZINC001233834661	1132687863	/nfs/dbraw/zinc/68/78/63/1132687863.db2.gz	QLLXBSKEVXJWHE-OAHLLOKOSA-N	-1	0	294.306	3.805	20	30		CHEDRM
Cn1ccc2cc(Nc3scc([O-])c3C#N)ccc21	ZINC001174097550	1132715033	/nfs/dbraw/zinc/71/50/33/1132715033.db2.gz	MYSRNWCGIDXTQB-UHFFFAOYSA-N	-1	0	269.329	3.561	20	30		CHEDRM
N#Cc1cc(Nc2c([O-])cc(F)cc2F)ccc1Cl	ZINC001174403681	1132811029	/nfs/dbraw/zinc/81/10/29/1132811029.db2.gz	VHXDZMHUBSBIAD-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
Cc1cccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001203324579	1133315363	/nfs/dbraw/zinc/31/53/63/1133315363.db2.gz	NDLXBYGTAIQNNX-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#CCc1ccc(F)cc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205087452	1133526672	/nfs/dbraw/zinc/52/66/72/1133526672.db2.gz	CJCBYZQUPDHBPU-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
O=C([O-])c1c(F)ccc(-c2ccc(CS)cc2)c1F	ZINC001205106267	1133529662	/nfs/dbraw/zinc/52/96/62/1133529662.db2.gz	BVRCCAYHMBSXSD-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
C[C@H](C#N)c1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001205100623	1133530271	/nfs/dbraw/zinc/53/02/71/1133530271.db2.gz	UCWZSLRPEVCAAF-SECBINFHSA-N	-1	0	287.265	3.957	20	30		CHEDRM
N#Cc1cc(-c2ccsc2C(=O)[O-])nc2ccccc12	ZINC001205547034	1133586655	/nfs/dbraw/zinc/58/66/55/1133586655.db2.gz	FPZKGSSPMPOTDP-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
N#CC[C@@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001205681553	1133601999	/nfs/dbraw/zinc/60/19/99/1133601999.db2.gz	YPZHETRADCSXLC-MRXNPFEDSA-N	-1	0	281.311	3.556	20	30		CHEDRM
O=C([O-])c1cc(-c2cccc(CS)c2)cc(F)c1F	ZINC001206051168	1133649554	/nfs/dbraw/zinc/64/95/54/1133649554.db2.gz	DRYDVRIOGPMVCD-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
N#CC1(c2cccc(-c3csc(C(=O)[O-])c3)c2)CC1	ZINC001206278597	1133682092	/nfs/dbraw/zinc/68/20/92/1133682092.db2.gz	KGWUIQXOYOCHCL-UHFFFAOYSA-N	-1	0	269.325	3.668	20	30		CHEDRM
O=C([O-])c1cc(-c2ccc(CS)cc2)cs1	ZINC001206299013	1133685851	/nfs/dbraw/zinc/68/58/51/1133685851.db2.gz	YTQDCYSFQLXGSO-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
N#Cc1c(Cl)cccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890187	1134096080	/nfs/dbraw/zinc/09/60/80/1134096080.db2.gz	CSHVSPNDMAOLIF-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1sc(Nc2cccc(CC(=O)[O-])c2)c(C#N)c1C	ZINC001210068163	1134140354	/nfs/dbraw/zinc/14/03/54/1134140354.db2.gz	KREKWCFCEHXNOT-UHFFFAOYSA-N	-1	0	286.356	3.607	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210071671	1134140766	/nfs/dbraw/zinc/14/07/66/1134140766.db2.gz	MRUVETZHIKYEPZ-UHFFFAOYSA-N	-1	0	286.718	3.582	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccccc1OC1CC1	ZINC001210835604	1134307733	/nfs/dbraw/zinc/30/77/33/1134307733.db2.gz	YXWDEIGOXVCODG-UHFFFAOYSA-N	-1	0	272.329	3.610	20	30		CHEDRM
N#Cc1ncc(F)cc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210927679	1134328939	/nfs/dbraw/zinc/32/89/39/1134328939.db2.gz	TVHUBRLEVCUIEV-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
COc1cc(C#N)cc(Nc2cccc([S-])c2)c1	ZINC001210948524	1134336810	/nfs/dbraw/zinc/33/68/10/1134336810.db2.gz	VGEFIHLERBJGKF-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
N#Cc1ncc(Cl)cc1Nc1cccc([S-])c1	ZINC001210946819	1134335644	/nfs/dbraw/zinc/33/56/44/1134335644.db2.gz	WHGFNZLSUQDOCR-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
COc1ccc(C#N)cc1Nc1cccc([S-])c1	ZINC001210949816	1134338162	/nfs/dbraw/zinc/33/81/62/1134338162.db2.gz	JBQDDPHLCYJDGY-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
N#Cc1cc(Nc2ccc(-c3ncc[nH]3)cc2)c([O-])cc1F	ZINC001213090701	1134425601	/nfs/dbraw/zinc/42/56/01/1134425601.db2.gz	BUKGMERRCAFDAG-UHFFFAOYSA-N	-1	0	294.289	3.537	20	30		CHEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccccc1CC#N	ZINC001214276617	1134526728	/nfs/dbraw/zinc/52/67/28/1134526728.db2.gz	OWTKYHPTLXQGOU-UHFFFAOYSA-N	-1	0	296.326	3.593	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214489422	1134545151	/nfs/dbraw/zinc/54/51/51/1134545151.db2.gz	DFQIWGFFKBDJOQ-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
Cc1ccnc(C#N)c1Nc1c(Cl)ccc([O-])c1F	ZINC001214559044	1134550509	/nfs/dbraw/zinc/55/05/09/1134550509.db2.gz	DZGCNCUXULBMLQ-UHFFFAOYSA-N	-1	0	277.686	3.503	20	30		CHEDRM
N#Cc1c(F)cccc1Nc1c(Cl)ccc([O-])c1F	ZINC001214560009	1134552601	/nfs/dbraw/zinc/55/26/01/1134552601.db2.gz	XSZNXOGKNXUDBV-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)cc1	ZINC001214803804	1134575653	/nfs/dbraw/zinc/57/56/53/1134575653.db2.gz	HBTXSPJKMUMXBN-UHFFFAOYSA-N	-1	0	261.683	3.910	20	30		CHEDRM
CC(C)c1ccc(Nc2cnc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001215111288	1134599885	/nfs/dbraw/zinc/59/98/85/1134599885.db2.gz	JXKZWBLFGSQDFJ-UHFFFAOYSA-N	-1	0	299.305	3.658	20	30		CHEDRM
N#Cc1cccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c1	ZINC001215340862	1134618593	/nfs/dbraw/zinc/61/85/93/1134618593.db2.gz	GDXGOGVDXGEFKT-UHFFFAOYSA-N	-1	0	297.701	3.634	20	30		CHEDRM
Cc1sc(Nc2ccsc2C(=O)[O-])c(C#N)c1C	ZINC001215384125	1134621611	/nfs/dbraw/zinc/62/16/11/1134621611.db2.gz	ZWXFDYHKUPAROO-UHFFFAOYSA-N	-1	0	278.358	3.740	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccsc2C(=O)[O-])cc1	ZINC001215394281	1134622427	/nfs/dbraw/zinc/62/24/27/1134622427.db2.gz	SHTOCSFYHPMSLE-SECBINFHSA-N	-1	0	272.329	3.817	20	30		CHEDRM
CCOc1cc(C)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001215876316	1134711133	/nfs/dbraw/zinc/71/11/33/1134711133.db2.gz	KIWFMDCQEMAZPI-UHFFFAOYSA-N	-1	0	286.306	3.854	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(N)cc1C(F)(F)F	ZINC001216129459	1134787439	/nfs/dbraw/zinc/78/74/39/1134787439.db2.gz	HYSHGJAWUIFSSS-UHFFFAOYSA-N	-1	0	299.277	3.670	20	30		CHEDRM
COc1ccc(C#N)cc1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216312168	1134846487	/nfs/dbraw/zinc/84/64/87/1134846487.db2.gz	DVQXUDRACLYDHP-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
CCc1cc([N-]c2noc(C(C)(C)C)n2)ccc1C#N	ZINC001216313523	1134848296	/nfs/dbraw/zinc/84/82/96/1134848296.db2.gz	MIOAJBXUHNEIGF-UHFFFAOYSA-N	-1	0	270.336	3.545	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cccc(C(=O)[O-])c1C	ZINC001216661652	1134941149	/nfs/dbraw/zinc/94/11/49/1134941149.db2.gz	OYWHQGOYVAJKTM-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1	ZINC001216680753	1134944140	/nfs/dbraw/zinc/94/41/40/1134944140.db2.gz	CBIAMMQRSCEZIU-LLVKDONJSA-N	-1	0	298.317	3.823	20	30		CHEDRM
N#Cc1ccc(Nc2ccccc2C(=O)[O-])cc1Cl	ZINC000311825139	1135131404	/nfs/dbraw/zinc/13/14/04/1135131404.db2.gz	KQPBILZCRYVLDV-UHFFFAOYSA-N	-1	0	272.691	3.653	20	30		CHEDRM
N#CC1(c2ccc(-c3c(F)cc(C(=O)[O-])cc3F)cc2)CC1	ZINC001222403266	1135236928	/nfs/dbraw/zinc/23/69/28/1135236928.db2.gz	NWMWSIHVQVJZJZ-UHFFFAOYSA-N	-1	0	299.276	3.885	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2c(F)cc(C(=O)[O-])cc2F)[nH]1	ZINC001222407746	1135237534	/nfs/dbraw/zinc/23/75/34/1135237534.db2.gz	JAMSNFLDJNJVPO-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
C/C(=N\O)c1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001222425277	1135240794	/nfs/dbraw/zinc/24/07/94/1135240794.db2.gz	ZOASTHXBAOSJLO-QGMBQPNBSA-N	-1	0	291.253	3.528	20	30		CHEDRM
Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ccc1CC#N	ZINC001222690720	1135264545	/nfs/dbraw/zinc/26/45/45/1135264545.db2.gz	PWXCGMFGZUEZRK-UHFFFAOYSA-N	-1	0	291.350	3.844	20	30		CHEDRM
C[C@H](OC(F)(F)c1ccccc1/C(Cl)=N/[O-])C1CC1	ZINC001222939573	1135286285	/nfs/dbraw/zinc/28/62/85/1135286285.db2.gz	FLAIHNBCONNJDX-VWKKDQACSA-N	-1	0	289.709	3.926	20	30		CHEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1nccs1	ZINC001223593202	1135364157	/nfs/dbraw/zinc/36/41/57/1135364157.db2.gz	IPSBAVHUTHFBOS-XCWPYAQASA-N	-1	0	282.752	3.710	20	30		CHEDRM
C=C[C@H](CCCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891739	1135394923	/nfs/dbraw/zinc/39/49/23/1135394923.db2.gz	RJXWFRMKIXXERZ-WGKGOADCSA-N	-1	0	293.363	3.601	20	30		CHEDRM
CCCCCCCCC[C@H](C)OCCCS(=O)(=O)[O-]	ZINC001224898890	1135492776	/nfs/dbraw/zinc/49/27/76/1135492776.db2.gz	MHROFIFKXRUXQK-AWEZNQCLSA-N	-1	0	294.457	3.810	20	30		CHEDRM
C=C[C@H](CCCCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225492295	1135576643	/nfs/dbraw/zinc/57/66/43/1135576643.db2.gz	VPDIXJJFJHNNGA-GFCCVEGCSA-N	-1	0	265.309	3.814	20	30		CHEDRM
CC#CC[C@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885324	1135633890	/nfs/dbraw/zinc/63/38/90/1135633890.db2.gz	LEHSGVJLLHUFCH-ZETCQYMHSA-N	-1	0	276.229	3.519	20	30		CHEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1csc(Cl)c1	ZINC001226013616	1135652648	/nfs/dbraw/zinc/65/26/48/1135652648.db2.gz	OTXALXXRAILNNH-LURJTMIESA-N	-1	0	298.726	3.653	20	30		CHEDRM
CCCCC[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013637	1135652666	/nfs/dbraw/zinc/65/26/66/1135652666.db2.gz	PDJAKDFKJXHJPH-NSHDSACASA-N	-1	0	266.316	3.536	20	30		CHEDRM
C=CCC[C@@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226553073	1135712834	/nfs/dbraw/zinc/71/28/34/1135712834.db2.gz	GQAXYCDMJIIBCZ-SECBINFHSA-N	-1	0	293.754	3.507	20	30		CHEDRM
CCCCCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000014980571	170651457	/nfs/dbraw/zinc/65/14/57/170651457.db2.gz	VARRQJYVGSIUHU-UHFFFAOYSA-N	-1	0	281.308	3.642	20	30		CHEDRM
[O-]/C(=N/[C@@H]1CC[C@H](F)C1)Nc1nc2ccsc2s1	ZINC000329444572	227518327	/nfs/dbraw/zinc/51/83/27/227518327.db2.gz	LQFHHEFNTXQVAR-NKWVEPMBSA-N	-1	0	285.369	3.574	20	30		CHEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000271225189	262995312	/nfs/dbraw/zinc/99/53/12/262995312.db2.gz	QMJZSDUIXCHHAZ-UNMOCEHJSA-N	-1	0	288.174	3.685	20	30		CHEDRM
CC[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330756161	264030547	/nfs/dbraw/zinc/03/05/47/264030547.db2.gz	GZIXHKOXOQNZJP-QMTHXVAHSA-N	-1	0	292.335	3.574	20	30		CHEDRM
N#CC(=C([O-])c1ccco1)c1nc(-c2ccccc2)cs1	ZINC000041536138	329565990	/nfs/dbraw/zinc/56/59/90/329565990.db2.gz	MFFNYARQYWIYNW-LBPRGKRZSA-N	-1	0	294.335	3.893	20	30		CHEDRM
C=CC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000450340061	330973522	/nfs/dbraw/zinc/97/35/22/330973522.db2.gz	DIRBSXVVVLDFAQ-UHFFFAOYSA-N	-1	0	274.147	3.850	20	30		CHEDRM
CCc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1	ZINC000453688847	331137677	/nfs/dbraw/zinc/13/76/77/331137677.db2.gz	HSAYSRSOIOWDDZ-GFCCVEGCSA-N	-1	0	299.399	3.714	20	30		CHEDRM
C=CCCCC[C@H](C)Nc1cccc(CC(=O)[O-])c1	ZINC000581536036	336096427	/nfs/dbraw/zinc/09/64/27/336096427.db2.gz	ZPIPGAMCXZFXRA-ZDUSSCGKSA-N	-1	0	261.365	3.861	20	30		CHEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@@H]1CCCOCC1	ZINC000330157886	534332954	/nfs/dbraw/zinc/33/29/54/534332954.db2.gz	ZNHXTJANAOHXLA-MRVPVSSYSA-N	-1	0	282.390	3.763	20	30		CHEDRM
O=C([O-])c1ccc(-c2ccc(C=NNC3CCCC3)o2)cc1	ZINC000738678560	599731818	/nfs/dbraw/zinc/73/18/18/599731818.db2.gz	JVCPHIZJTLRBST-UHFFFAOYSA-N	-1	0	298.342	3.511	20	30		CHEDRM
N#Cc1ccc(SCc2ccc(F)cc2C(=O)[O-])cc1	ZINC000739132851	600058789	/nfs/dbraw/zinc/05/87/89/600058789.db2.gz	VFSPNGKJEQMOIP-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
N#Cc1ccc(S[C@H](C(=O)[O-])c2ccccc2)c(F)c1	ZINC000738434811	600986707	/nfs/dbraw/zinc/98/67/07/600986707.db2.gz	PACZXOYWILCRJP-AWEZNQCLSA-N	-1	0	287.315	3.615	20	30		CHEDRM
N#Cc1ccc(SCc2ccc(C(=O)[O-])s2)c(F)c1	ZINC000833074527	601896065	/nfs/dbraw/zinc/89/60/65/601896065.db2.gz	ZVQQAKZDLYTZQC-UHFFFAOYSA-N	-1	0	293.344	3.749	20	30		CHEDRM
O=C([O-])c1occc1C=NNc1c(Cl)cccc1Cl	ZINC000833345973	601956556	/nfs/dbraw/zinc/95/65/56/601956556.db2.gz	ILMITLNPUBCJQE-UHFFFAOYSA-N	-1	0	299.113	3.731	20	30		CHEDRM
CCOc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000830099896	604627225	/nfs/dbraw/zinc/62/72/25/604627225.db2.gz	QRLPYIDYWMINOR-WDZFZDKYSA-N	-1	0	296.322	3.680	20	30		CHEDRM
CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000830063649	604627235	/nfs/dbraw/zinc/62/72/35/604627235.db2.gz	GFBUIFDICSZICE-XGICHPGQSA-N	-1	0	296.322	3.680	20	30		CHEDRM
CCc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)s1	ZINC000830244841	604628902	/nfs/dbraw/zinc/62/89/02/604628902.db2.gz	IKLANVQOQDBWRM-KTKRTIGZSA-N	-1	0	286.352	3.905	20	30		CHEDRM
Cc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832977221	604629978	/nfs/dbraw/zinc/62/99/78/604629978.db2.gz	FDOIXSZLLFUZOX-KHPPLWFESA-N	-1	0	266.296	3.589	20	30		CHEDRM
CC(=NNCc1cccc(F)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814805338	604637689	/nfs/dbraw/zinc/63/76/89/604637689.db2.gz	WBVYJSBMOATWDN-GFCCVEGCSA-N	-1	0	294.370	3.572	20	30		CHEDRM
CC(C)(CCC#N)CNc1cccc(NC(=O)[O-])c1	ZINC000826541918	604643695	/nfs/dbraw/zinc/64/36/95/604643695.db2.gz	AWAGVCHSGDXKHO-UHFFFAOYSA-N	-1	0	261.325	3.518	20	30		CHEDRM
C[C@H](CC(=O)[O-])SCc1ccccc1C(C)(C)C#N	ZINC000827385671	604744284	/nfs/dbraw/zinc/74/42/84/604744284.db2.gz	MZYIYOCUEJRSGG-LLVKDONJSA-N	-1	0	277.389	3.584	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cscc2Cl)cc1	ZINC000833310017	604975161	/nfs/dbraw/zinc/97/51/61/604975161.db2.gz	LMIXXZOHRBPEGS-AATRIKPKSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C=CCCC[C@@H](C)OC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833373927	605021884	/nfs/dbraw/zinc/02/18/84/605021884.db2.gz	JNXVAVCETCVMLR-LLVKDONJSA-N	-1	0	277.320	3.678	20	30		CHEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000398092675	605057455	/nfs/dbraw/zinc/05/74/55/605057455.db2.gz	OXEGPQBHUIOKDY-LLVKDONJSA-N	-1	0	290.363	3.560	20	30		CHEDRM
O=C([O-])c1ccccc1N=NC[C@H]1CCc2ccccc21	ZINC000755602201	605094698	/nfs/dbraw/zinc/09/46/98/605094698.db2.gz	UFAMFVLKOWVHIL-CYBMUJFWSA-N	-1	0	280.327	3.513	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccccc1C1CC1	ZINC000751134099	605097383	/nfs/dbraw/zinc/09/73/83/605097383.db2.gz	IRVRDJSISAAWEC-UHFFFAOYSA-N	-1	0	280.327	3.708	20	30		CHEDRM
C[C@H]1C[C@H]1c1ccc(C=NNc2ccccc2C(=O)[O-])o1	ZINC000812446213	605098402	/nfs/dbraw/zinc/09/84/02/605098402.db2.gz	SFLYTVXMWAJFIH-GXFFZTMASA-N	-1	0	284.315	3.547	20	30		CHEDRM
C=CCC[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000833373729	605118022	/nfs/dbraw/zinc/11/80/22/605118022.db2.gz	ZMRIUERLLXSRQF-CQSZACIVSA-N	-1	0	289.331	3.678	20	30		CHEDRM
C=C(C)CN(CC)[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000568061319	605368058	/nfs/dbraw/zinc/36/80/58/605368058.db2.gz	BYCWXGKGOMDHOX-ZDUSSCGKSA-N	-1	0	285.746	3.503	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1sccc1C	ZINC000733743182	605591926	/nfs/dbraw/zinc/59/19/26/605591926.db2.gz	IQMOWYUHXKOKJT-UHFFFAOYSA-N	-1	0	274.345	3.591	20	30		CHEDRM
C[C@@H]1CCC[C@H](CN=Nc2cccc(C(=O)[O-])c2)C1	ZINC000768358447	605593411	/nfs/dbraw/zinc/59/34/11/605593411.db2.gz	VQBNKJMCASBKRO-NEPJUHHUSA-N	-1	0	260.337	3.609	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1Cl	ZINC000833387025	605593458	/nfs/dbraw/zinc/59/34/58/605593458.db2.gz	KQAUVTFZFDTHKM-UHFFFAOYSA-N	-1	0	288.734	3.874	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(C)c1	ZINC000833387202	605594632	/nfs/dbraw/zinc/59/46/32/605594632.db2.gz	TXPRZCLCMGEKCP-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1C	ZINC000833387085	605595811	/nfs/dbraw/zinc/59/58/11/605595811.db2.gz	NBUOQJZAOHJPRM-UHFFFAOYSA-N	-1	0	268.316	3.529	20	30		CHEDRM
N#Cc1c(Cl)nsc1Oc1ccc(NC(=O)[O-])cc1	ZINC000833969787	605724905	/nfs/dbraw/zinc/72/49/05/605724905.db2.gz	IZICXEUVNNNJMA-UHFFFAOYSA-N	-1	0	295.707	3.550	20	30		CHEDRM
C#Cc1ccc(NCc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC001602707328	971343916	/nfs/dbraw/zinc/34/39/16/971343916.db2.gz	QSJURIAQYFRMEX-UHFFFAOYSA-N	-1	0	285.730	3.632	20	30		CHEDRM
CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001589644827	949712433	/nfs/dbraw/zinc/71/24/33/949712433.db2.gz	AYPXBDZGAJLKIY-HUUCEWRRSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCCCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000380454601	971700009	/nfs/dbraw/zinc/70/00/09/971700009.db2.gz	FXJDPXIESDRELZ-UHFFFAOYSA-N	-1	0	296.754	3.516	20	30		CHEDRM
N#Cc1ccccc1CSCc1ccc(C(=O)[O-])cc1	ZINC000013220461	956983191	/nfs/dbraw/zinc/98/31/91/956983191.db2.gz	OJGMUFYLOTVXCF-UHFFFAOYSA-N	-1	0	283.352	3.690	20	30		CHEDRM
N#Cc1ccc(NCc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000061845289	957593003	/nfs/dbraw/zinc/59/30/03/957593003.db2.gz	BKDOXOITYYLMIG-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
CC[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000097824349	958350773	/nfs/dbraw/zinc/35/07/73/958350773.db2.gz	DKRLEOPQTONGEF-JTQLQIEISA-N	-1	0	289.278	3.532	20	30		CHEDRM
CCCCCCCCC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000109687790	958379429	/nfs/dbraw/zinc/37/94/29/958379429.db2.gz	AJNOSOAILNIZPX-INIZCTEOSA-N	-1	0	297.439	3.887	20	30		CHEDRM
C=CCN(Cc1ccc(C(=O)[O-])s1)c1ccccc1	ZINC001588463930	958486748	/nfs/dbraw/zinc/48/67/48/958486748.db2.gz	BNGPFOJOKDSZPB-UHFFFAOYSA-N	-1	0	273.357	3.639	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2/CSc3ccccc3C2=O)c1	ZINC000126304358	958585737	/nfs/dbraw/zinc/58/57/37/958585737.db2.gz	YKILFEYJDMQTOJ-LCYFTJDESA-N	-1	0	296.347	3.757	20	30		CHEDRM
CC1(c2ccccc2)CC(N=Nc2ccccc2C(=O)[O-])C1	ZINC000729635155	1125473103	/nfs/dbraw/zinc/47/31/03/1125473103.db2.gz	FPCGXQSYEPDEHV-UHFFFAOYSA-N	-1	0	294.354	3.904	20	30		CHEDRM
N#Cc1c(F)cccc1Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC000236485050	960674471	/nfs/dbraw/zinc/67/44/71/960674471.db2.gz	PXNNRDGRWDMILD-UHFFFAOYSA-N	-1	0	291.665	3.841	20	30		CHEDRM
C=CCCCCCCNc1ncc(C(=O)[O-])cc1Cl	ZINC000311996295	963527497	/nfs/dbraw/zinc/52/74/97/963527497.db2.gz	QVRAZPYMSMNZMH-UHFFFAOYSA-N	-1	0	282.771	3.982	20	30		CHEDRM
C#CCCCCCC(=O)Nc1cccc(C(=O)[O-])c1Cl	ZINC001588440727	964044097	/nfs/dbraw/zinc/04/40/97/964044097.db2.gz	MCDFDKLAYJFIAF-UHFFFAOYSA-N	-1	0	293.750	3.560	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000313740402	967962749	/nfs/dbraw/zinc/96/27/49/967962749.db2.gz	BVXOOUCOKKTSPK-CABCVRRESA-N	-1	0	297.439	3.696	20	30		CHEDRM
CCCCCCCCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000401436118	973365027	/nfs/dbraw/zinc/36/50/27/973365027.db2.gz	JVHUAJNPYNZSHO-CYBMUJFWSA-N	-1	0	285.428	3.743	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cccc(F)c2F)cc1	ZINC000588386950	974965230	/nfs/dbraw/zinc/96/52/30/974965230.db2.gz	VMGBBDIZTKTNSD-TWGQIWQCSA-N	-1	0	288.249	3.559	20	30		CHEDRM
C[C@H](CC(=O)[O-])c1ccc(-c2ccc(C#N)s2)cc1	ZINC001592424813	978047521	/nfs/dbraw/zinc/04/75/21/978047521.db2.gz	XBQDJIGZGDJJCU-SNVBAGLBSA-N	-1	0	271.341	3.865	20	30		CHEDRM
CC(CC1CCC1)N=Nc1cccc(C(=O)[O-])c1F	ZINC001592459192	978176730	/nfs/dbraw/zinc/17/67/30/978176730.db2.gz	KDFMLNRXLHVNMO-UHFFFAOYSA-N	-1	0	264.300	3.502	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\Cc3c(cccc3Cl)C2=O)c1	ZINC000774126205	978746434	/nfs/dbraw/zinc/74/64/34/978746434.db2.gz	GPPZBWLVDLSMHN-XYOKQWHBSA-N	-1	0	298.725	3.861	20	30		CHEDRM
O=C([O-])c1cccc(N=NC2CCC23CCCC3)c1	ZINC000788698643	978797615	/nfs/dbraw/zinc/79/76/15/978797615.db2.gz	GZCCCHTUGZUSPF-UHFFFAOYSA-N	-1	0	258.321	3.507	20	30		CHEDRM
C[C@H]1C(N=Nc2cccc(Cl)c2F)CC[C@H]1CC(=O)[O-]	ZINC000814818708	978887974	/nfs/dbraw/zinc/88/79/74/978887974.db2.gz	FVVWFWIQQPUBTK-BDAKNGLRSA-N	-1	0	298.745	3.768	20	30		CHEDRM
COc1ccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])cc1	ZINC000814885255	978896074	/nfs/dbraw/zinc/89/60/74/978896074.db2.gz	TUWFCZRYHUEMLO-GFCCVEGCSA-N	-1	0	292.379	3.764	20	30		CHEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000844600710	979396489	/nfs/dbraw/zinc/39/64/89/979396489.db2.gz	OCZNTYKFTDTTIG-SNVBAGLBSA-N	-1	0	276.311	3.668	20	30		CHEDRM
CC(C)=CCCC(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415508	979468619	/nfs/dbraw/zinc/46/86/19/979468619.db2.gz	MVKJGJODKAXKRS-UHFFFAOYSA-N	-1	0	274.364	3.848	20	30		CHEDRM
CC(N=Nc1ccnc(Cl)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000853395085	979605477	/nfs/dbraw/zinc/60/54/77/979605477.db2.gz	KIQVGCGBLIVUSQ-JTQLQIEISA-N	-1	0	297.786	3.804	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1	ZINC000908248861	981289566	/nfs/dbraw/zinc/28/95/66/981289566.db2.gz	IYNUQOYARVROIK-UHFFFAOYSA-N	-1	0	299.370	3.693	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000909109265	981419291	/nfs/dbraw/zinc/41/92/91/981419291.db2.gz	ZQYJFDXOPMJJGM-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
CCCC[C@H](CCC)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001595632760	981860008	/nfs/dbraw/zinc/86/00/08/981860008.db2.gz	QBTRNISGMSHNHO-LBPRGKRZSA-N	-1	0	289.379	3.670	20	30		CHEDRM
CCCCCCCCn1cc(C(=O)[O-])nc1C1CC1	ZINC001595704525	982276131	/nfs/dbraw/zinc/27/61/31/982276131.db2.gz	SGPYJHNIPIKESI-UHFFFAOYSA-N	-1	0	264.369	3.819	20	30		CHEDRM
CCCCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])no1	ZINC001595704632	982278219	/nfs/dbraw/zinc/27/82/19/982278219.db2.gz	FGWMNHKAZDYIPG-LLVKDONJSA-N	-1	0	296.367	3.698	20	30		CHEDRM
C#CCC1(C(=O)Nc2cccc(C(=O)[O-])c2C)CCCCC1	ZINC001588428671	983462994	/nfs/dbraw/zinc/46/29/94/983462994.db2.gz	XGDRREMOIPPWRN-UHFFFAOYSA-N	-1	0	299.370	3.606	20	30		CHEDRM
C=C(C)c1cccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)c1	ZINC001588605527	983693005	/nfs/dbraw/zinc/69/30/05/983693005.db2.gz	KVCLJCIUHSOMNW-SJXGUFTOSA-N	-1	0	271.360	3.631	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1	ZINC001588606288	983696792	/nfs/dbraw/zinc/69/67/92/983696792.db2.gz	VEHDPLJIJQKOKV-CLFYSBASSA-N	-1	0	297.310	3.663	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC001588673427	983830301	/nfs/dbraw/zinc/83/03/01/983830301.db2.gz	XJYYTJOECWXIRX-UHFFFAOYSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-]	ZINC001588691234	983879160	/nfs/dbraw/zinc/87/91/60/983879160.db2.gz	VCHHNOBQNZKDDR-QMMMGPOBSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=C[C@@H](CC)CC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001588692710	983885454	/nfs/dbraw/zinc/88/54/54/983885454.db2.gz	IJFPGDMKDPBXEA-VIFPVBQESA-N	-1	0	282.723	3.546	20	30		CHEDRM
C=C[C@@H](Nc1ccc(C)c(Oc2cc(C)ccn2)c1)C(=O)[O-]	ZINC001588702025	983917671	/nfs/dbraw/zinc/91/76/71/983917671.db2.gz	GOBGXNUQCCQNKT-CQSZACIVSA-N	-1	0	298.342	3.542	20	30		CHEDRM
C=CC[C@H](Nc1ccccc1CCC(F)(F)F)C(=O)[O-]	ZINC001588750931	984074379	/nfs/dbraw/zinc/07/43/79/984074379.db2.gz	IDTVOWOCUCQFPC-LBPRGKRZSA-N	-1	0	287.281	3.623	20	30		CHEDRM
C=CC[C@@H](Sc1cc(C)ccc1Cl)C(=O)[O-]	ZINC001588758418	984106033	/nfs/dbraw/zinc/10/60/33/984106033.db2.gz	FWESNRYYSVBXJA-SNVBAGLBSA-N	-1	0	256.754	3.770	20	30		CHEDRM
C=CC[C@@H](Sc1cccc(Br)c1)C(=O)[O-]	ZINC001588759000	984108597	/nfs/dbraw/zinc/10/85/97/984108597.db2.gz	NFPYSTOVXVCKBY-SNVBAGLBSA-N	-1	0	287.178	3.571	20	30		CHEDRM
C=CCC[C@@H](CC)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588777847	984158305	/nfs/dbraw/zinc/15/83/05/984158305.db2.gz	MYHYYNJWJFHLKO-CQSZACIVSA-N	-1	0	277.364	3.688	20	30		CHEDRM
C=CCC[C@@H](Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC001588778599	984161513	/nfs/dbraw/zinc/16/15/13/984161513.db2.gz	GFVOCRIHGGEHFS-OAHLLOKOSA-N	-1	0	282.343	3.899	20	30		CHEDRM
C=CCCCC(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-]	ZINC001588782842	984174659	/nfs/dbraw/zinc/17/46/59/984174659.db2.gz	OCKKLRJMJPDBOT-UHFFFAOYSA-N	-1	0	281.739	3.641	20	30		CHEDRM
C=CCCCCOc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588802172	984248187	/nfs/dbraw/zinc/24/81/87/984248187.db2.gz	FGLYRCOSJDSSIT-UHFFFAOYSA-N	-1	0	254.713	3.773	20	30		CHEDRM
C=CCCCCSCc1ccccc1C(=O)[O-]	ZINC001588802405	984248703	/nfs/dbraw/zinc/24/87/03/984248703.db2.gz	KCUDHBDRIUFNGL-UHFFFAOYSA-N	-1	0	250.363	3.974	20	30		CHEDRM
CC#CCCSc1cc(Cl)ccc1C(=O)[O-]	ZINC001588930970	984600488	/nfs/dbraw/zinc/60/04/88/984600488.db2.gz	GZCPEFJMVSQMMC-UHFFFAOYSA-N	-1	0	254.738	3.544	20	30		CHEDRM
C[C@@H](C(=O)[O-])c1cccc(Nc2cc(F)ccc2C#N)c1	ZINC001589540390	987243319	/nfs/dbraw/zinc/24/33/19/987243319.db2.gz	WYBMTVJKWPQLEN-SNVBAGLBSA-N	-1	0	284.290	3.629	20	30		CHEDRM
C[C@H](Sc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1	ZINC001593664081	996049133	/nfs/dbraw/zinc/04/91/33/996049133.db2.gz	FZFMATQEDWWFDM-VIFPVBQESA-N	-1	0	273.313	3.703	20	30		CHEDRM
COc1ccc(C(=O)[O-])cc1CSc1ccccc1C#N	ZINC001599500035	997100062	/nfs/dbraw/zinc/10/00/62/997100062.db2.gz	RYEDKDFYHYIOCY-UHFFFAOYSA-N	-1	0	299.351	3.557	20	30		CHEDRM
C=C[C@H](CCC)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223593795	1121267587	/nfs/dbraw/zinc/26/75/87/1121267587.db2.gz	OINQSNYZEWGFPA-GMXMXKFQSA-N	-1	0	253.729	3.847	20	30		CHEDRM
CC(CCC(F)(F)F)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011883	1131755472	/nfs/dbraw/zinc/75/54/72/1131755472.db2.gz	KAAQLWNINXJVAL-UHFFFAOYSA-N	-1	0	292.232	3.654	20	30		CHEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc[n-]c(=O)c1Cl	ZINC001230019131	1132145905	/nfs/dbraw/zinc/14/59/05/1132145905.db2.gz	XZKAERCUAKNYJU-GARJFASQSA-N	-1	0	282.771	3.595	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)c(O)c1	ZINC001214803669	1134575167	/nfs/dbraw/zinc/57/51/67/1134575167.db2.gz	CAVQBSUEWOWTQC-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
Cc1cc(C)c(Nc2ccsc2C(=O)[O-])cc1C#N	ZINC001215399349	1134623137	/nfs/dbraw/zinc/62/31/37/1134623137.db2.gz	BSEFMKBWTCICPM-UHFFFAOYSA-N	-1	0	272.329	3.678	20	30		CHEDRM
Cc1coc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1C#N	ZINC001211962430	1125527059	/nfs/dbraw/zinc/52/70/59/1125527059.db2.gz	DOVBOFXKIZNYNH-UHFFFAOYSA-N	-1	0	276.679	3.555	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211969273	1125543506	/nfs/dbraw/zinc/54/35/06/1125543506.db2.gz	AFARZVKKTBQUKK-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
O=C(/C=C\c1cc2cc(F)ccc2o1)c1cc(O)ccc1O	ZINC000757467690	1125755480	/nfs/dbraw/zinc/75/54/80/1125755480.db2.gz	JWVSZHPGZLZUNM-HYXAFXHYSA-N	-1	0	298.269	3.879	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CC[C@H]1CCCO1	ZINC000887270749	1125781738	/nfs/dbraw/zinc/78/17/38/1125781738.db2.gz	SSQADDHVPZZGCF-FNQVVVRFSA-N	-1	0	288.174	3.687	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)[C@@](C)(CC)CC(=O)[O-])c1	ZINC000899854350	1126705223	/nfs/dbraw/zinc/70/52/23/1126705223.db2.gz	JTMURLJGFICISN-INIZCTEOSA-N	-1	0	275.348	3.549	20	30		CHEDRM
N#Cc1csc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)c1	ZINC000485975468	1126965166	/nfs/dbraw/zinc/96/51/66/1126965166.db2.gz	JUWTYUMDCUCQDK-DUXPYHPUSA-N	-1	0	296.307	3.630	20	30		CHEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000908684519	1127010437	/nfs/dbraw/zinc/01/04/37/1127010437.db2.gz	SRYAAXSFBDRXRD-UHFFFAOYSA-N	-1	0	281.739	3.579	20	30		CHEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C=C2CCC2)s1	ZINC000797572621	1130994092	/nfs/dbraw/zinc/99/40/92/1130994092.db2.gz	DQGQHGUNDDVXAR-NSHDSACASA-N	-1	0	274.389	3.727	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c([O-])c1	ZINC000156704248	1127166069	/nfs/dbraw/zinc/16/60/69/1127166069.db2.gz	MGRUEBAEYSTWIX-HWKANZROSA-N	-1	0	269.325	3.530	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000293842905	1127525327	/nfs/dbraw/zinc/52/53/27/1127525327.db2.gz	BEWGASBPEVXTLW-UHFFFAOYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361528615	1127569744	/nfs/dbraw/zinc/56/97/44/1127569744.db2.gz	AWKJIPQVUCZANC-AWEZNQCLSA-N	-1	0	276.295	3.626	20	30		CHEDRM
O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc([O-])c(F)c1	ZINC000170851690	1127657929	/nfs/dbraw/zinc/65/79/29/1127657929.db2.gz	YZNWWGSCHXWLTC-HNQUOIGGSA-N	-1	0	296.219	3.845	20	30		CHEDRM
COC(C)(C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000173987544	1127864787	/nfs/dbraw/zinc/86/47/87/1127864787.db2.gz	QWFUZWAWUYORBN-GIDUJCDVSA-N	-1	0	276.163	3.543	20	30		CHEDRM
N#Cc1ccc(-c2ccccc2CC2(C(=O)[O-])CC2)s1	ZINC000594872669	1127929167	/nfs/dbraw/zinc/92/91/67/1127929167.db2.gz	DUSNTHSEYTUJMK-UHFFFAOYSA-N	-1	0	283.352	3.694	20	30		CHEDRM
CC(C)C[C@H](CNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595969509	1128047351	/nfs/dbraw/zinc/04/73/51/1128047351.db2.gz	QYMMYEOEMKQKFS-SNVBAGLBSA-N	-1	0	296.317	3.655	20	30		CHEDRM
Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)c(C)c1C#N	ZINC001205100447	1128162476	/nfs/dbraw/zinc/16/24/76/1128162476.db2.gz	PUFNDVYXRJDFTD-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
O=C([O-])c1ccc(N=NC(c2ccc(F)cc2)C2CC2)cc1	ZINC000914690012	1128231059	/nfs/dbraw/zinc/23/10/59/1128231059.db2.gz	GZRYDRRJHGQXQJ-UHFFFAOYSA-N	-1	0	298.317	3.750	20	30		CHEDRM
COc1ccc(/C=C\C(=O)c2cc(C)ccc2O)c(OC)c1	ZINC000034805299	1128235749	/nfs/dbraw/zinc/23/57/49/1128235749.db2.gz	GBECLVFJNGNKHY-TWGQIWQCSA-N	-1	0	298.338	3.614	20	30		CHEDRM
Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)s1	ZINC000915105837	1128283857	/nfs/dbraw/zinc/28/38/57/1128283857.db2.gz	GVZBKTCCQFEXCR-HJWRWDBZSA-N	-1	0	286.352	3.580	20	30		CHEDRM
Cc1ccc(F)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000763291667	1128389323	/nfs/dbraw/zinc/38/93/23/1128389323.db2.gz	DAVLCARLYJPBEP-WEVVVXLNSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(C)Oc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000915933445	1128397025	/nfs/dbraw/zinc/39/70/25/1128397025.db2.gz	KIFLNUKXYBKQEL-UHFFFAOYSA-N	-1	0	298.342	3.618	20	30		CHEDRM
Cc1ccccc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915989933	1128401900	/nfs/dbraw/zinc/40/19/00/1128401900.db2.gz	GUEFOWLOGPDVFG-ZHACJKMWSA-N	-1	0	280.323	3.518	20	30		CHEDRM
CCc1cc(C([O-])=C(C#N)c2nc(C)cs2)oc1CC	ZINC000128570542	1128502955	/nfs/dbraw/zinc/50/29/55/1128502955.db2.gz	QYMAJJBFHYGWIR-LLVKDONJSA-N	-1	0	288.372	3.659	20	30		CHEDRM
CCCOc1ccc(-c2ccccc2C(=O)[O-])cc1C#N	ZINC000567978621	1128575612	/nfs/dbraw/zinc/57/56/12/1128575612.db2.gz	MODGZKOGGLXZES-UHFFFAOYSA-N	-1	0	281.311	3.712	20	30		CHEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccsc1)CC2	ZINC000920066307	1128660943	/nfs/dbraw/zinc/66/09/43/1128660943.db2.gz	XDPYTCCEJLPHOZ-UXBLZVDNSA-N	-1	0	288.324	3.560	20	30		CHEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1cccs1	ZINC000920944224	1128696303	/nfs/dbraw/zinc/69/63/03/1128696303.db2.gz	JVBJVKPVMBTROX-JNNKLVPLSA-N	-1	0	276.317	3.542	20	30		CHEDRM
N#CC(=C([O-])C=CC1CCCC1)c1nc(C2CC2)cs1	ZINC000842941847	1118176503	/nfs/dbraw/zinc/17/65/03/1118176503.db2.gz	DFQLMKQJJIVXTF-UJZCVKTISA-N	-1	0	286.400	3.943	20	30		CHEDRM
N#Cc1nc(Cl)ccc1Nc1cccc([S-])c1	ZINC001210945259	1118427714	/nfs/dbraw/zinc/42/77/14/1118427714.db2.gz	IQGCPGWBHFFBDX-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
C[C@H](C#N)c1ccc(Nc2ccccc2C(=O)[O-])cc1	ZINC001210967758	1118433336	/nfs/dbraw/zinc/43/33/36/1118433336.db2.gz	WHOGFQRQLDRHGF-LLVKDONJSA-N	-1	0	266.300	3.755	20	30		CHEDRM
C[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1ccc(C#N)cc1	ZINC000579822285	1118498437	/nfs/dbraw/zinc/49/84/37/1118498437.db2.gz	KAVFJNNVUHUITB-LLVKDONJSA-N	-1	0	298.415	3.662	20	30		CHEDRM
Cc1cc(F)ccc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782200919	1118502348	/nfs/dbraw/zinc/50/23/48/1118502348.db2.gz	OTYZSCBXJIFXRB-HWKANZROSA-N	-1	0	290.315	3.790	20	30		CHEDRM
Cc1cccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c1	ZINC000255294156	1118565636	/nfs/dbraw/zinc/56/56/36/1118565636.db2.gz	GQEZBSCFNFKKOA-WAYWQWQTSA-N	-1	0	274.266	3.875	20	30		CHEDRM
CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000076755600	1128787915	/nfs/dbraw/zinc/78/79/15/1128787915.db2.gz	KRKQSTRCTGKADJ-CYBMUJFWSA-N	-1	0	297.420	3.938	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2occc2C(C)C)n1	ZINC000342451146	1119033079	/nfs/dbraw/zinc/03/30/79/1119033079.db2.gz	UVRVCHFLYUQIDR-NSHDSACASA-N	-1	0	274.345	3.658	20	30		CHEDRM
CCCc1occc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000342650562	1119112932	/nfs/dbraw/zinc/11/29/32/1119112932.db2.gz	XCOJYSSPWJBTPZ-LBPRGKRZSA-N	-1	0	293.326	3.598	20	30		CHEDRM
Cc1c(Nc2cc(C#N)ccc2Cl)cccc1C(=O)[O-]	ZINC001216661461	1119263140	/nfs/dbraw/zinc/26/31/40/1119263140.db2.gz	IOSPCXDQNGFGMW-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
O=C(/C=C\c1cccnc1)c1ccc2ccccc2c1[O-]	ZINC000255561238	1119271601	/nfs/dbraw/zinc/27/16/01/1119271601.db2.gz	YUZTXAIMIHWZSY-YFHOEESVSA-N	-1	0	275.307	3.837	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C)c(C(=O)[O-])c2)cc1F	ZINC001211607886	1119463382	/nfs/dbraw/zinc/46/33/82/1119463382.db2.gz	BBUHTLUNBGILAG-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3scnc3c2)c1	ZINC000255591919	1119528734	/nfs/dbraw/zinc/52/87/34/1119528734.db2.gz	BCAIJERMKDTJEF-UHFFFAOYSA-N	-1	0	299.311	3.661	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)c(C)c1	ZINC000069579262	1128884990	/nfs/dbraw/zinc/88/49/90/1128884990.db2.gz	UZDLKTWZDNMVNE-UHFFFAOYSA-N	-1	0	295.404	3.529	20	30		CHEDRM
O=C(C=Cc1cnn(-c2ccccc2)c1)c1sccc1[O-]	ZINC000184516964	1120357268	/nfs/dbraw/zinc/35/72/68/1120357268.db2.gz	UXWXYVLRACGIEX-VOTSOKGWSA-N	-1	0	296.351	3.536	20	30		CHEDRM
N#Cc1cc(Nc2ccc3cc[nH]c3c2)c([O-])cc1F	ZINC001174755212	1121040056	/nfs/dbraw/zinc/04/00/56/1121040056.db2.gz	MLLVXJCYHOPMML-UHFFFAOYSA-N	-1	0	267.263	3.628	20	30		CHEDRM
Cc1sc(Nc2ccc(C(=O)[O-])s2)c(C#N)c1C	ZINC001174805905	1121054527	/nfs/dbraw/zinc/05/45/27/1121054527.db2.gz	KEEBXGGWUXBVBE-UHFFFAOYSA-N	-1	0	278.358	3.740	20	30		CHEDRM
N#Cc1cc(Nc2c(F)ccc(F)c2F)c([O-])cc1F	ZINC001175030368	1121150510	/nfs/dbraw/zinc/15/05/10/1121150510.db2.gz	GXEXJZSVTKOLPC-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
CCOc1cc(F)ccc1Nc1scc([O-])c1C#N	ZINC001175286573	1121254533	/nfs/dbraw/zinc/25/45/33/1121254533.db2.gz	PHVPMVKUKKVOJE-UHFFFAOYSA-N	-1	0	278.308	3.607	20	30		CHEDRM
C[C@H](C#C[Si](C)(C)C)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223594186	1121267799	/nfs/dbraw/zinc/26/77/99/1121267799.db2.gz	UCZAZNRYLHXAMU-QSJBWMMGSA-N	-1	0	295.842	3.762	20	30		CHEDRM
Cc1oc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1C	ZINC001175316988	1121280887	/nfs/dbraw/zinc/28/08/87/1121280887.db2.gz	QDMSDZAFAPSXDV-UHFFFAOYSA-N	-1	0	290.706	3.863	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2)c(F)c1Cl	ZINC001175330731	1121286624	/nfs/dbraw/zinc/28/66/24/1121286624.db2.gz	JWUHLTLYEIPMGA-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cccc(C(=O)[O-])c1	ZINC001175330845	1121286947	/nfs/dbraw/zinc/28/69/47/1121286947.db2.gz	FAVRQXWFOWPAPO-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
CC(C)(C#N)c1cccc(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175332512	1121288082	/nfs/dbraw/zinc/28/80/82/1121288082.db2.gz	SZFWLHHYAMWHIP-UHFFFAOYSA-N	-1	0	280.327	3.930	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F	ZINC001176589568	1121648881	/nfs/dbraw/zinc/64/88/81/1121648881.db2.gz	IFYJUIRVLAVYML-UHFFFAOYSA-N	-1	0	296.301	3.557	20	30		CHEDRM
N#CCCc1ccc(-c2csc(C(=O)[O-])c2)cc1	ZINC001206278615	1121677762	/nfs/dbraw/zinc/67/77/62/1121677762.db2.gz	KUECUGPKLFVKDZ-UHFFFAOYSA-N	-1	0	257.314	3.569	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cccc(C2CC2)c1	ZINC001176724546	1121679969	/nfs/dbraw/zinc/67/99/69/1121679969.db2.gz	HXNRHNKFBDMDMM-UHFFFAOYSA-N	-1	0	256.330	3.946	20	30		CHEDRM
CC(C)c1ncc(/C=C\C(=O)c2ccc(O)cc2[O-])s1	ZINC000758433314	1121756375	/nfs/dbraw/zinc/75/63/75/1121756375.db2.gz	HRWBOQNSXAPOGO-XQRVVYSFSA-N	-1	0	289.356	3.574	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc(F)cc2F)cs1	ZINC000730149509	1121794571	/nfs/dbraw/zinc/79/45/71/1121794571.db2.gz	XWTOWNABKWBXLJ-DUXPYHPUSA-N	-1	0	294.278	3.621	20	30		CHEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc(F)c(F)c2)cs1	ZINC000730148255	1121795017	/nfs/dbraw/zinc/79/50/17/1121795017.db2.gz	CVUHRWGVXQTVPT-DUXPYHPUSA-N	-1	0	294.278	3.621	20	30		CHEDRM
C[C@@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1	ZINC000733081221	1121956215	/nfs/dbraw/zinc/95/62/15/1121956215.db2.gz	RGQGDJYWDWDXIZ-JFNAFIFTSA-N	-1	0	276.336	3.544	20	30		CHEDRM
O=C([O-])c1cccc(/C=C2\Cc3ccc(Cl)cc3C2=O)c1	ZINC000774134536	1122132872	/nfs/dbraw/zinc/13/28/72/1122132872.db2.gz	LFALUYQPOCNXRG-NTUHNPAUSA-N	-1	0	298.725	3.861	20	30		CHEDRM
N#CCCCc1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001250060381	1122164977	/nfs/dbraw/zinc/16/49/77/1122164977.db2.gz	OIAVKQDXSGZFOT-UHFFFAOYSA-N	-1	0	258.104	3.538	20	30		CHEDRM
N#Cc1cc(NC(=O)CCCC2CCCCC2)ccc1O	ZINC001184224242	1122262281	/nfs/dbraw/zinc/26/22/81/1122262281.db2.gz	HEIQCWBWCBAEEU-UHFFFAOYSA-N	-1	0	286.375	3.953	20	30		CHEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2cc1O	ZINC000620314632	1129048820	/nfs/dbraw/zinc/04/88/20/1129048820.db2.gz	OLBBPIWJDTWDRP-IYBDPMFKSA-N	-1	0	293.366	3.869	20	30		CHEDRM
N#Cc1ncc(Nc2c(F)ccc([O-])c2Cl)cc1Cl	ZINC001250230014	1122375459	/nfs/dbraw/zinc/37/54/59/1122375459.db2.gz	QRVVERHQUGJOSU-UHFFFAOYSA-N	-1	0	298.104	3.848	20	30		CHEDRM
Cc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c(C#N)c1	ZINC000514872093	1122460727	/nfs/dbraw/zinc/46/07/27/1122460727.db2.gz	BPFRLDJGNPXWQX-UHFFFAOYSA-N	-1	0	284.340	3.566	20	30		CHEDRM
C=CCCN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000436850135	1122588323	/nfs/dbraw/zinc/58/83/23/1122588323.db2.gz	YSABIEOZWPGKSA-UHFFFAOYSA-N	-1	0	289.762	3.847	20	30		CHEDRM
N#Cc1ccc(-c2cc(Cl)c([O-])c(Cl)c2)nc1	ZINC001250463544	1122636611	/nfs/dbraw/zinc/63/66/11/1122636611.db2.gz	DJTHDSBTDVUJFE-UHFFFAOYSA-N	-1	0	265.099	3.633	20	30		CHEDRM
C=CCN(C(=O)c1ccc([O-])c(F)c1F)C1CCCCC1	ZINC001192840330	1122659953	/nfs/dbraw/zinc/65/99/53/1122659953.db2.gz	RMMBQYYSTDZKES-UHFFFAOYSA-N	-1	0	295.329	3.631	20	30		CHEDRM
CCCCCCCOC(=O)[N-]C1=NCC(=O)C=C1Cl	ZINC001193994014	1122742097	/nfs/dbraw/zinc/74/20/97/1122742097.db2.gz	TYLPBADJWAUINR-UHFFFAOYSA-N	-1	0	286.759	3.960	20	30		CHEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc(Cl)cc1	ZINC001226014509	1122745132	/nfs/dbraw/zinc/74/51/32/1122745132.db2.gz	XXIKAPUXRGAWCU-QMMMGPOBSA-N	-1	0	292.697	3.591	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2sc(C)cc2C)n1	ZINC000633894548	1129093486	/nfs/dbraw/zinc/09/34/86/1129093486.db2.gz	MFNGENUCOJZDFH-JTQLQIEISA-N	-1	0	276.386	3.620	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2ccccc2Cl)c1	ZINC001202064347	1123170938	/nfs/dbraw/zinc/17/09/38/1123170938.db2.gz	YMJYNPXCDGFAFJ-UHFFFAOYSA-N	-1	0	287.706	3.561	20	30		CHEDRM
C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccsc1	ZINC000007333215	1123248963	/nfs/dbraw/zinc/24/89/63/1123248963.db2.gz	UDSNDMCCOYHLJM-VSBFRKNKSA-N	-1	0	274.316	3.976	20	30		CHEDRM
O=C(/C=C/c1cc(F)cc(Cl)c1)c1ccc(O)cc1[O-]	ZINC000776720853	1123477144	/nfs/dbraw/zinc/47/71/44/1123477144.db2.gz	UOQDJYIFPKUYGO-DAFODLJHSA-N	-1	0	292.693	3.786	20	30		CHEDRM
CSc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041521271	1123591564	/nfs/dbraw/zinc/59/15/64/1123591564.db2.gz	XKACMCFHDQIACO-LLVKDONJSA-N	-1	0	288.397	3.664	20	30		CHEDRM
C=C1CC(C)(c2noc(-c3cccc(Cl)c3[O-])n2)C1	ZINC000896916503	1123777517	/nfs/dbraw/zinc/77/75/17/1123777517.db2.gz	XYPZHRKHWVRFFU-UHFFFAOYSA-N	-1	0	276.723	3.703	20	30		CHEDRM
CCc1cccc(F)c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000794447607	1123831270	/nfs/dbraw/zinc/83/12/70/1123831270.db2.gz	ITWLDGMZGZAZBP-UHFFFAOYSA-N	-1	0	286.306	3.532	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1cccnc1F	ZINC000794832701	1123969107	/nfs/dbraw/zinc/96/91/07/1123969107.db2.gz	KMMFZMGMZQWOBJ-IDUWFGFVSA-N	-1	0	299.132	3.852	20	30		CHEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2occc2c1	ZINC000794888764	1124031102	/nfs/dbraw/zinc/03/11/02/1124031102.db2.gz	SMRZCFDGWWCYOW-UHFFFAOYSA-N	-1	0	280.283	3.577	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C(F)F)n1	ZINC000873495335	1124772763	/nfs/dbraw/zinc/77/27/63/1124772763.db2.gz	KCVFORPVFWODFS-MRVPVSSYSA-N	-1	0	298.339	3.941	20	30		CHEDRM
O=C([O-])c1ccc(-c2cccc(CS)c2)c(F)c1	ZINC001239267356	1131309455	/nfs/dbraw/zinc/30/94/55/1131309455.db2.gz	UMWXJXOMTOLXFD-UHFFFAOYSA-N	-1	0	262.305	3.621	20	30		CHEDRM
C=C(C)c1ccc(-c2ccc(C(=O)[O-])cc2F)nc1	ZINC001239251212	1131307938	/nfs/dbraw/zinc/30/79/38/1131307938.db2.gz	VIWXVAYPXJACBN-UHFFFAOYSA-N	-1	0	257.264	3.619	20	30		CHEDRM
N#CCCc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239346768	1131320500	/nfs/dbraw/zinc/32/05/00/1131320500.db2.gz	ZQAZQZWONQNOFV-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1	ZINC000126319409	1125002443	/nfs/dbraw/zinc/00/24/43/1125002443.db2.gz	OJEJWZNRSSATCD-QPJJXVBHSA-N	-1	0	288.249	3.559	20	30		CHEDRM
Oc1ccc(Cl)cc1/C=N/[C@H]1CCOC2(CCCC2)C1	ZINC000128485545	1125280390	/nfs/dbraw/zinc/28/03/90/1125280390.db2.gz	NESDHCBHTFOACY-BGARDKSCSA-N	-1	0	293.794	3.956	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000129506923	1125340916	/nfs/dbraw/zinc/34/09/16/1125340916.db2.gz	FXWHJCYQVOVPGU-WEVVVXLNSA-N	-1	0	283.283	3.505	20	30		CHEDRM
O=C1c2ccccc2CC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000129509892	1125340943	/nfs/dbraw/zinc/34/09/43/1125340943.db2.gz	MEENLJVVTVXIMR-UKTHLTGXSA-N	-1	0	295.294	3.513	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])cnc1Cl	ZINC000760262155	1125414731	/nfs/dbraw/zinc/41/47/31/1125414731.db2.gz	BDVSKVKVFSHGLR-GORDUTHDSA-N	-1	0	291.709	3.784	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])cnc1Cl	ZINC000760263935	1125422697	/nfs/dbraw/zinc/42/26/97/1125422697.db2.gz	IDARACPEXOBTMC-RQOWECAXSA-N	-1	0	291.709	3.784	20	30		CHEDRM
Cc1cc(/C=C\C(=O)c2ccccc2[O-])cnc1Cl	ZINC000760263465	1125430153	/nfs/dbraw/zinc/43/01/53/1125430153.db2.gz	HZQRBAFWUOPREA-SREVYHEPSA-N	-1	0	273.719	3.645	20	30		CHEDRM
N#Cc1cc2ccccc2nc1-c1ccc([O-])c(F)c1	ZINC001240783729	1129349977	/nfs/dbraw/zinc/34/99/77/1129349977.db2.gz	WPHGWXLEVVHWAR-UHFFFAOYSA-N	-1	0	264.259	3.618	20	30		CHEDRM
N#CC(=C([O-])C=CC1CC1)c1nc(-c2ccccc2)cs1	ZINC000744037403	1129549190	/nfs/dbraw/zinc/54/91/90/1129549190.db2.gz	VIEJMVSEYFNPQI-CKXPSTMWSA-N	-1	0	294.379	3.953	20	30		CHEDRM
Cc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])ccc1C#N	ZINC000766492086	1129670232	/nfs/dbraw/zinc/67/02/32/1129670232.db2.gz	UWQSHRMIAYEAON-XVNBXDOJSA-N	-1	0	281.286	3.608	20	30		CHEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])C1CCCCC1	ZINC000767118990	1129778073	/nfs/dbraw/zinc/77/80/73/1129778073.db2.gz	XVROHIPWHDZYGG-UHFFFAOYSA-N	-1	0	286.375	3.809	20	30		CHEDRM
Cc1cc(Cl)ccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000767361136	1129787960	/nfs/dbraw/zinc/78/79/60/1129787960.db2.gz	WAVKZUMHPPJACN-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
O=C(/C=C\c1ccccc1)c1ccc([O-])c(Cl)c1	ZINC000725274069	1129852980	/nfs/dbraw/zinc/85/29/80/1129852980.db2.gz	VBJPFIJLQXICEF-VURMDHGXSA-N	-1	0	258.704	3.942	20	30		CHEDRM
O=C(/C=C\c1cnc2ccccn12)c1ccc([O-])c(Cl)c1	ZINC000768759185	1129872378	/nfs/dbraw/zinc/87/23/78/1129872378.db2.gz	XWDUGNZJKFLDES-ALCCZGGFSA-N	-1	0	298.729	3.589	20	30		CHEDRM
CCc1cnc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)s1	ZINC000768759041	1129872591	/nfs/dbraw/zinc/87/25/91/1129872591.db2.gz	WNZMSHBGOGNZMO-WAYWQWQTSA-N	-1	0	293.775	3.961	20	30		CHEDRM
C=C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000769340750	1129903699	/nfs/dbraw/zinc/90/36/99/1129903699.db2.gz	XRKGTXRBJULRAQ-UHFFFAOYSA-N	-1	0	272.175	3.851	20	30		CHEDRM
CCn1nc(/C=C\C(=O)c2ccccc2[O-])c2ccccc21	ZINC000769746844	1129924158	/nfs/dbraw/zinc/92/41/58/1129924158.db2.gz	RRPLJFFCHXRQSJ-QXMHVHEDSA-N	-1	0	292.338	3.658	20	30		CHEDRM
CC(=NNc1ccc(F)cc1C)c1sccc1[O-]	ZINC000769800031	1129926305	/nfs/dbraw/zinc/92/63/05/1129926305.db2.gz	SKMCJYQNVWESGR-UHFFFAOYSA-N	-1	0	264.325	3.737	20	30		CHEDRM
CC(C)[C@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000747755982	1130016845	/nfs/dbraw/zinc/01/68/45/1130016845.db2.gz	ZFERXOZXBHDPOM-LLVKDONJSA-N	-1	0	260.337	3.609	20	30		CHEDRM
N#Cc1cc2c(cccc2-c2cccc([S-])c2)[nH]1	ZINC001242867482	1130110420	/nfs/dbraw/zinc/11/04/20/1130110420.db2.gz	PRVVZXYEILXRGI-UHFFFAOYSA-N	-1	0	250.326	3.995	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/C=C\c2ccccc2)s1	ZINC000746683867	1130151026	/nfs/dbraw/zinc/15/10/26/1130151026.db2.gz	HMSDEDVGIBUURB-MVTUOISNSA-N	-1	0	284.336	3.899	20	30		CHEDRM
N#Cc1c(F)cc(-c2ccc([S-])c(F)c2)cc1F	ZINC001239931493	1130156164	/nfs/dbraw/zinc/15/61/64/1130156164.db2.gz	UXFOSTZYHFPXDL-UHFFFAOYSA-N	-1	0	265.259	3.931	20	30		CHEDRM
N#Cc1ccc(CNc2cc(F)ccc2[S-])cc1F	ZINC001170096075	1130225664	/nfs/dbraw/zinc/22/56/64/1130225664.db2.gz	VQHQUSHPCGGRSR-UHFFFAOYSA-N	-1	0	276.311	3.737	20	30		CHEDRM
C[C@H](c1ccccc1)[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000746815358	1130253389	/nfs/dbraw/zinc/25/33/89/1130253389.db2.gz	HVBYJULAJLQNDT-ISIGILQNSA-N	-1	0	298.342	3.912	20	30		CHEDRM
CC1=C[C@@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000789638670	1130267716	/nfs/dbraw/zinc/26/77/16/1130267716.db2.gz	FIBVECSGSYRQRR-YPMHNXCESA-N	-1	0	272.348	3.775	20	30		CHEDRM
O=C([O-])c1ccc(NN=Cc2ccsc2Cl)cc1	ZINC000790136678	1130292083	/nfs/dbraw/zinc/29/20/83/1130292083.db2.gz	RWRYIWVAGQIIJG-UHFFFAOYSA-N	-1	0	280.736	3.546	20	30		CHEDRM
O=C([O-])/C=C/c1cccc(-c2ccc(CS)cc2)c1	ZINC001240550638	1130353862	/nfs/dbraw/zinc/35/38/62/1130353862.db2.gz	IGMZHUAUEPZEAZ-RMKNXTFCSA-N	-1	0	270.353	3.881	20	30		CHEDRM
O=C(/C=C\c1cncc2ccccc12)c1ccc(F)cc1[O-]	ZINC000772799360	1130454631	/nfs/dbraw/zinc/45/46/31/1130454631.db2.gz	BSHVVKXYAHFIJR-YVMONPNESA-N	-1	0	293.297	3.976	20	30		CHEDRM
O=C(/C=C\c1nc(Cl)cs1)c1ccc(F)cc1[O-]	ZINC000759083065	1130635707	/nfs/dbraw/zinc/63/57/07/1130635707.db2.gz	HCEFFYMFROATKC-ARJAWSKDSA-N	-1	0	283.711	3.537	20	30		CHEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOC1CCC1	ZINC000812238290	1130677440	/nfs/dbraw/zinc/67/74/40/1130677440.db2.gz	RBEVFYDXSAYWHB-UHFFFAOYSA-N	-1	0	260.120	3.602	20	30		CHEDRM
C[C@H](Oc1cnc2ccccc2c1C#N)C1=CC=C[CH]1	ZINC001234855134	1130683274	/nfs/dbraw/zinc/68/32/74/1130683274.db2.gz	RABRGEKWMQABKU-LBPRGKRZSA-N	-1	0	261.304	3.574	20	30		CHEDRM
CC(C)c1ccc(C#N)c(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235030361	1130702605	/nfs/dbraw/zinc/70/26/05/1130702605.db2.gz	WTIBKBMDQZKHRT-BJMVGYQFSA-N	-1	0	292.338	3.841	20	30		CHEDRM
CCSCCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000781114785	1130703544	/nfs/dbraw/zinc/70/35/44/1130703544.db2.gz	VMUYMOAQEVLSFX-UHFFFAOYSA-N	-1	0	286.784	3.579	20	30		CHEDRM
COc1cccc(NN=C(C)c2cc(C(=O)[O-])ccc2C)c1	ZINC000788422708	1130705028	/nfs/dbraw/zinc/70/50/28/1130705028.db2.gz	JZMDLNGTLSARFZ-UHFFFAOYSA-N	-1	0	298.342	3.538	20	30		CHEDRM
Cc1cc(F)cc(-c2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001235458174	1130745394	/nfs/dbraw/zinc/74/53/94/1130745394.db2.gz	HNYBMPSHVVIOTC-QPJJXVBHSA-N	-1	0	281.286	3.771	20	30		CHEDRM
O=C([O-])c1csc(/C=C\C(=O)C2CCCCC2)c1	ZINC000782201279	1130762295	/nfs/dbraw/zinc/76/22/95/1130762295.db2.gz	SEOKKGJWZIXCMF-SREVYHEPSA-N	-1	0	264.346	3.609	20	30		CHEDRM
CCc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)s1	ZINC000782201365	1130762366	/nfs/dbraw/zinc/76/23/66/1130762366.db2.gz	TUMQAZAOZYGFFO-HWKANZROSA-N	-1	0	292.381	3.966	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782201541	1130762466	/nfs/dbraw/zinc/76/24/66/1130762466.db2.gz	UKOVQVNNLUZZGT-IHWYPQMZSA-N	-1	0	278.354	3.712	20	30		CHEDRM
O=C(/C=C/c1ccc2cnccc2c1)c1ccc(F)cc1[O-]	ZINC000782347658	1130773910	/nfs/dbraw/zinc/77/39/10/1130773910.db2.gz	MBTFSDTVKOJKQZ-QHHAFSJGSA-N	-1	0	293.297	3.976	20	30		CHEDRM
Cc1cccc(-c2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001235999022	1130828055	/nfs/dbraw/zinc/82/80/55/1130828055.db2.gz	URWHOKCUYMXUJS-UHFFFAOYSA-N	-1	0	263.218	3.657	20	30		CHEDRM
N#CCc1c[nH]c2cccc(-c3ccc(C(=O)[O-])cc3)c12	ZINC001236066350	1130846059	/nfs/dbraw/zinc/84/60/59/1130846059.db2.gz	VKCDOOYDWNIEOZ-UHFFFAOYSA-N	-1	0	276.295	3.599	20	30		CHEDRM
Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2Cl)cc1	ZINC000814687100	1130899957	/nfs/dbraw/zinc/89/99/57/1130899957.db2.gz	OHAMVNIEKZSYDH-UHFFFAOYSA-N	-1	0	288.734	3.793	20	30		CHEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CC1(C)C	ZINC000814690025	1130901210	/nfs/dbraw/zinc/90/12/10/1130901210.db2.gz	QPVRJWJVXDOGOJ-NSHDSACASA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC(=NNc1cc(C)ccc1C)c1csc(C(=O)[O-])c1	ZINC000814753690	1130907635	/nfs/dbraw/zinc/90/76/35/1130907635.db2.gz	VVJPBWMNILLRBI-UHFFFAOYSA-N	-1	0	288.372	3.899	20	30		CHEDRM
CC(=NN[C@H](C)c1ccccc1)c1csc(C(=O)[O-])c1	ZINC000814815046	1130917048	/nfs/dbraw/zinc/91/70/48/1130917048.db2.gz	KWFKXVCURHHIPK-SNVBAGLBSA-N	-1	0	288.372	3.521	20	30		CHEDRM
CCCCCC[C@H](C)NN=C(C)CC1(C(=O)[O-])CCC1	ZINC000814858523	1130923933	/nfs/dbraw/zinc/92/39/33/1130923933.db2.gz	AJFBYKWAKXZSLM-ZDUSSCGKSA-N	-1	0	282.428	3.956	20	30		CHEDRM
Cc1ccc(F)c(-c2ccc(C(F)(F)F)c(C#N)n2)c1[O-]	ZINC001236394328	1130926662	/nfs/dbraw/zinc/92/66/62/1130926662.db2.gz	WMNDCWZQGPKXAQ-UHFFFAOYSA-N	-1	0	296.223	3.792	20	30		CHEDRM
O=C([O-])C1(c2ccccc2)CC(=NOC2CCCCC2)C1	ZINC000814908592	1130934468	/nfs/dbraw/zinc/93/44/68/1130934468.db2.gz	ACWZLJPDXSJZMZ-UHFFFAOYSA-N	-1	0	287.359	3.508	20	30		CHEDRM
CCOc1ccc(NN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000814983110	1130947371	/nfs/dbraw/zinc/94/73/71/1130947371.db2.gz	CZTPCTHFOPDCCJ-UHFFFAOYSA-N	-1	0	292.285	3.515	20	30		CHEDRM
Cc1ccc2oc(C(=O)Nc3cc(C#N)ccc3[O-])cc2c1	ZINC000748002942	1130998246	/nfs/dbraw/zinc/99/82/46/1130998246.db2.gz	UQZSGBDMWZURQJ-UHFFFAOYSA-N	-1	0	292.294	3.571	20	30		CHEDRM
N#Cc1ccc([O-])c(NC(=O)/C(F)=C\C2CCCCC2)c1	ZINC000798172147	1131028205	/nfs/dbraw/zinc/02/82/05/1131028205.db2.gz	GQSPNQCTJJSSOB-MDWZMJQESA-N	-1	0	288.322	3.636	20	30		CHEDRM
N#Cc1nc2c(cccc2-c2c([O-])cccc2F)s1	ZINC001245655009	1131108570	/nfs/dbraw/zinc/10/85/70/1131108570.db2.gz	NXGKGWBOAWENBB-UHFFFAOYSA-N	-1	0	270.288	3.680	20	30		CHEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccccc1Cl	ZINC001117739905	1131194604	/nfs/dbraw/zinc/19/46/04/1131194604.db2.gz	TWSKOIXPHWQZCU-UWVGGRQHSA-N	-1	0	280.755	3.629	20	30		CHEDRM
C=CC[C@@H](C)C(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001144020151	1131572513	/nfs/dbraw/zinc/57/25/13/1131572513.db2.gz	IKDJDXVXHJSFIV-SSDOTTSWSA-N	-1	0	274.147	3.850	20	30		CHEDRM
Cc1c(N=NC(C)C2CCCC2)cccc1C(=O)[O-]	ZINC000844622625	1131586022	/nfs/dbraw/zinc/58/60/22/1131586022.db2.gz	AGGWEDWQCGDQQB-UHFFFAOYSA-N	-1	0	260.337	3.671	20	30		CHEDRM
C=C(C)CO[N-]C(=O)[C@H](CCC)c1ccc(Cl)cc1	ZINC001144639666	1131669946	/nfs/dbraw/zinc/66/99/46/1131669946.db2.gz	ABXNDHAAIHJDNY-CQSZACIVSA-N	-1	0	281.783	3.848	20	30		CHEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc2ccccc2c1	ZINC000846548635	1131713458	/nfs/dbraw/zinc/71/34/58/1131713458.db2.gz	UMMOADZTEAHKJN-CYBMUJFWSA-N	-1	0	283.371	3.740	20	30		CHEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc2ccccc2c1	ZINC000846548640	1131713656	/nfs/dbraw/zinc/71/36/56/1131713656.db2.gz	UMMOADZTEAHKJN-ZDUSSCGKSA-N	-1	0	283.371	3.740	20	30		CHEDRM
CSc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)cc1	ZINC000834999494	1131752594	/nfs/dbraw/zinc/75/25/94/1131752594.db2.gz	VAJKCRGHFRPZKV-UHFFFAOYSA-N	-1	0	292.404	3.841	20	30		CHEDRM
N#Cc1ncc([N-]c2nc3cc(Cl)ccc3o2)cc1F	ZINC001203049317	1131806633	/nfs/dbraw/zinc/80/66/33/1131806633.db2.gz	QLOFQFQLANVTKX-UHFFFAOYSA-N	-1	0	288.669	3.631	20	30		CHEDRM
CC(=O)/C=C\c1ccc(O[C@H](C)C2=CC=C[CH]2)cc1	ZINC001228497540	1131897767	/nfs/dbraw/zinc/89/77/67/1131897767.db2.gz	VKIHBWSFDGBYBP-WBTMPAOCSA-N	-1	0	253.321	3.757	20	30		CHEDRM
C#C[C@H](C)Oc1ccccc1C([O-])=CC(=O)c1ccccc1	ZINC001228508176	1131900096	/nfs/dbraw/zinc/90/00/96/1131900096.db2.gz	DHDYSMSQRNTELZ-AWEZNQCLSA-N	-1	0	292.334	3.543	20	30		CHEDRM
C=CCOc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000773151902	1131966591	/nfs/dbraw/zinc/96/65/91/1131966591.db2.gz	YWERFGVAFUKCJS-FPLPWBNLSA-N	-1	0	286.352	3.915	20	30		CHEDRM
C=CC[C@@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231044620	1132246759	/nfs/dbraw/zinc/24/67/59/1132246759.db2.gz	MBAXHCBDJTXBHK-ZCFIWIBFSA-N	-1	0	272.135	3.608	20	30		CHEDRM
CC#CC[C@@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050286	1132248312	/nfs/dbraw/zinc/24/83/12/1132248312.db2.gz	RPXUANQCQNZBEE-MRVPVSSYSA-N	-1	0	298.173	3.836	20	30		CHEDRM
CCC[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000840707119	1132273406	/nfs/dbraw/zinc/27/34/06/1132273406.db2.gz	NPMPFLADDFZCPS-PFJSLNBISA-N	-1	0	290.190	3.933	20	30		CHEDRM
CC1(C)COC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840708590	1132273783	/nfs/dbraw/zinc/27/37/83/1132273783.db2.gz	HEZYAMLRYRYPNM-KDCOTVSISA-N	-1	0	288.174	3.543	20	30		CHEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231263375	1132276576	/nfs/dbraw/zinc/27/65/76/1132276576.db2.gz	JLJNLKHZFRZXOB-NSHDSACASA-N	-1	0	280.324	3.518	20	30		CHEDRM
C[C@@H](Oc1ccc2ccc(C#N)cc2n1)C1=CC=C[CH]1	ZINC001231368570	1132286874	/nfs/dbraw/zinc/28/68/74/1132286874.db2.gz	WDOZTWQDISEXRQ-GFCCVEGCSA-N	-1	0	261.304	3.574	20	30		CHEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1C[C@@H]1C	ZINC000841605383	1132376727	/nfs/dbraw/zinc/37/67/27/1132376727.db2.gz	ZXXNMGIGPIRQQS-WCBMZHEXSA-N	-1	0	280.755	3.872	20	30		CHEDRM
C=CCCO[N-]C(=O)[C@H](SCc1ccccc1)C(C)C	ZINC001149451697	1132544504	/nfs/dbraw/zinc/54/45/04/1132544504.db2.gz	FGXHJHAPVBOCQL-OAHLLOKOSA-N	-1	0	293.432	3.568	20	30		CHEDRM
C=C[C@H](Oc1cc([O-])cc2occc(=O)c12)c1ccccc1	ZINC001233834660	1132687539	/nfs/dbraw/zinc/68/75/39/1132687539.db2.gz	QLLXBSKEVXJWHE-HNNXBMFYSA-N	-1	0	294.306	3.805	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1C#N	ZINC001233919266	1132698715	/nfs/dbraw/zinc/69/87/15/1132698715.db2.gz	CKWAPZSMXVIGBF-MELADBBJSA-N	-1	0	286.375	3.705	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174496974	1132862450	/nfs/dbraw/zinc/86/24/50/1132862450.db2.gz	XLSZASJRMIHWTI-SOFGYWHQSA-N	-1	0	278.311	3.708	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1ccc(N2CCCC2)cc1	ZINC001174526212	1132887051	/nfs/dbraw/zinc/88/70/51/1132887051.db2.gz	HWHMQHUARISBEW-UHFFFAOYSA-N	-1	0	285.372	3.669	20	30		CHEDRM
N#Cc1cc(Nc2cccc3[nH]ccc32)c([O-])cc1F	ZINC001174649591	1132949841	/nfs/dbraw/zinc/94/98/41/1132949841.db2.gz	AZQRUZOZAZBYIE-UHFFFAOYSA-N	-1	0	267.263	3.628	20	30		CHEDRM
C=CCCC(C)(C)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001161683858	1133016461	/nfs/dbraw/zinc/01/64/61/1133016461.db2.gz	TZEHTYTTWYEKSM-UHFFFAOYSA-N	-1	0	285.746	3.659	20	30		CHEDRM
Cc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1C	ZINC001204642246	1133471398	/nfs/dbraw/zinc/47/13/98/1133471398.db2.gz	BIVFJCUXOPFGTL-UHFFFAOYSA-N	-1	0	293.346	3.556	20	30		CHEDRM
O=C([O-])c1sccc1-c1ccc(CS)cc1	ZINC001205606273	1133594087	/nfs/dbraw/zinc/59/40/87/1133594087.db2.gz	ZEBXFRBORNURPO-UHFFFAOYSA-N	-1	0	250.344	3.543	20	30		CHEDRM
CC(C)Oc1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001209997028	1134119389	/nfs/dbraw/zinc/11/93/89/1134119389.db2.gz	QANCXLLSZAHAQD-UHFFFAOYSA-N	-1	0	292.335	3.995	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cc(C(=O)[O-])cc(F)c2C)c1	ZINC001210006693	1134120575	/nfs/dbraw/zinc/12/05/75/1134120575.db2.gz	FIHATPCWSFXJJA-UHFFFAOYSA-N	-1	0	284.290	3.756	20	30		CHEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc(F)c1C#N	ZINC001210008196	1134121351	/nfs/dbraw/zinc/12/13/51/1134121351.db2.gz	MGRSUAJOPASNRQ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
COc1cc(Nc2ccc(C#N)cc2C)ccc1[S-]	ZINC001210377086	1134203482	/nfs/dbraw/zinc/20/34/82/1134203482.db2.gz	YXOWBIMQOYWORY-UHFFFAOYSA-N	-1	0	270.357	3.908	20	30		CHEDRM
CC(C)(C)c1noc(Nc2cccc([O-])c2Cl)c1C#N	ZINC001210851698	1134311972	/nfs/dbraw/zinc/31/19/72/1134311972.db2.gz	GMRIAYTZJMSLAB-UHFFFAOYSA-N	-1	0	291.738	3.946	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1cccc([O-])c1Cl	ZINC001210855001	1134313607	/nfs/dbraw/zinc/31/36/07/1134313607.db2.gz	OUQAIAKRZLVYSP-UHFFFAOYSA-N	-1	0	258.708	3.969	20	30		CHEDRM
N#Cc1cc(F)cc(F)c1Nc1cccc([S-])c1	ZINC001210948085	1134336386	/nfs/dbraw/zinc/33/63/86/1134336386.db2.gz	CQYGRULRSFMCEU-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
CCCOc1ccccc1Nc1scc([O-])c1C#N	ZINC001211380785	1134413552	/nfs/dbraw/zinc/41/35/52/1134413552.db2.gz	CAALRUDOBJCDLH-UHFFFAOYSA-N	-1	0	274.345	3.858	20	30		CHEDRM
C#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1F	ZINC001213635762	1134471683	/nfs/dbraw/zinc/47/16/83/1134471683.db2.gz	XSVJVZOWQJGPJV-UHFFFAOYSA-N	-1	0	283.302	3.568	20	30		CHEDRM
COc1ccc(Nc2c(Cl)ccc([O-])c2F)c(C#N)c1	ZINC001214559354	1134551144	/nfs/dbraw/zinc/55/11/44/1134551144.db2.gz	NFCXONKHKZBUKS-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cc(O)ccc1Nc1c(F)c([O-])ccc1Cl	ZINC001214563880	1134552572	/nfs/dbraw/zinc/55/25/72/1134552572.db2.gz	XRRSCXJYVPOPNH-UHFFFAOYSA-N	-1	0	278.670	3.506	20	30		CHEDRM
COc1cc(C#N)ccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214801877	1134575178	/nfs/dbraw/zinc/57/51/78/1134575178.db2.gz	SBFRSXKTBSMBOC-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1ccc(F)c(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214801875	1134575616	/nfs/dbraw/zinc/57/56/16/1134575616.db2.gz	SAFBLJGAQOWJIH-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
CC(C)(C)c1nnc([N-]c2cccc(Cl)c2C#N)o1	ZINC001216123868	1134784638	/nfs/dbraw/zinc/78/46/38/1134784638.db2.gz	GDMOZOJQSLTLPK-UHFFFAOYSA-N	-1	0	276.727	3.636	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(C)c(C(=O)[O-])c(C)c2)s1	ZINC001216308585	1134845072	/nfs/dbraw/zinc/84/50/72/1134845072.db2.gz	ZEGDIMBHZWGFJH-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
Cc1csc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1C#N	ZINC001216307909	1134845726	/nfs/dbraw/zinc/84/57/26/1134845726.db2.gz	LBTHVZHFBHUNKJ-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
Cc1cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)ccc1C#N	ZINC001216312970	1134846383	/nfs/dbraw/zinc/84/63/83/1134846383.db2.gz	VVUVTPPWBDCTDZ-UHFFFAOYSA-N	-1	0	280.327	3.925	20	30		CHEDRM
Cc1c(Nc2c(C#N)ccc(F)c2F)cccc1C(=O)[O-]	ZINC001216662844	1134942576	/nfs/dbraw/zinc/94/25/76/1134942576.db2.gz	JHUKDQMPUWTGPH-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cccc(-c2noc(-c3cccc(C#N)c3[O-])n2)c1C	ZINC001216979550	1134956438	/nfs/dbraw/zinc/95/64/38/1134956438.db2.gz	BWHOBRLDEBTXCG-UHFFFAOYSA-N	-1	0	291.310	3.598	20	30		CHEDRM
N#Cc1nc2c(cccc2-c2cc(F)c([O-])cc2F)s1	ZINC001222083049	1135190132	/nfs/dbraw/zinc/19/01/32/1135190132.db2.gz	LAAPPFIGGKFUAY-UHFFFAOYSA-N	-1	0	288.278	3.819	20	30		CHEDRM
Cc1cccc(-c2c(F)cc(C(=O)[O-])cc2F)c1C#N	ZINC001222403835	1135237632	/nfs/dbraw/zinc/23/76/32/1135237632.db2.gz	XQWWDXXKMSTKLQ-UHFFFAOYSA-N	-1	0	273.238	3.510	20	30		CHEDRM
O=C([O-])c1cc(F)c(-c2ccccc2CS)c(F)c1	ZINC001222412504	1135238616	/nfs/dbraw/zinc/23/86/16/1135238616.db2.gz	MBDAWBPVMSCYQP-UHFFFAOYSA-N	-1	0	280.295	3.760	20	30		CHEDRM
C=C[C@H](CCCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223744836	1135378075	/nfs/dbraw/zinc/37/80/75/1135378075.db2.gz	RNGVABTZKWOHBH-CQSZACIVSA-N	-1	0	298.404	3.585	20	30		CHEDRM
C=C[C@@H](CCCCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517771	1135582254	/nfs/dbraw/zinc/58/22/54/1135582254.db2.gz	MMSRSBWKRXBZSD-ZDUSSCGKSA-N	-1	0	298.404	3.837	20	30		CHEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2csc(Cl)c2)c1C#N	ZINC001226222049	1135673637	/nfs/dbraw/zinc/67/36/37/1135673637.db2.gz	TZTTTYOZXXUCNG-MRVPVSSYSA-N	-1	0	294.763	3.822	20	30		CHEDRM
C=C[C@H](Oc1cc(O)ccc1C(=O)COC)c1ccccc1	ZINC001227169972	1135794028	/nfs/dbraw/zinc/79/40/28/1135794028.db2.gz	BAQDHTHHAWFJPP-KRWDZBQOSA-N	-1	0	298.338	3.527	20	30		CHEDRM
C=CCc1cccc(C(C)C)c1NC(=O)c1ncccc1[O-]	ZINC000188059828	329364039	/nfs/dbraw/zinc/36/40/39/329364039.db2.gz	XKFBPVRUFRJDFA-UHFFFAOYSA-N	-1	0	296.370	3.891	20	30		CHEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080451392	330131015	/nfs/dbraw/zinc/13/10/15/330131015.db2.gz	GPHPPFMJINZGFF-JTQLQIEISA-N	-1	0	274.345	3.658	20	30		CHEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000430523779	330568751	/nfs/dbraw/zinc/56/87/51/330568751.db2.gz	IHMKIXHRZLNNJZ-NSHDSACASA-N	-1	0	296.351	3.942	20	30		CHEDRM
N#Cc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2[O-])cc1	ZINC000492292123	332391051	/nfs/dbraw/zinc/39/10/51/332391051.db2.gz	YGJPWKXONVUBHQ-CMDGGOBGSA-N	-1	0	298.729	3.569	20	30		CHEDRM
C=CCN=c1[n-]nc(S[C@@H](CC)c2ccccc2)s1	ZINC000494075564	332462591	/nfs/dbraw/zinc/46/25/91/332462591.db2.gz	QBVUJBASLLYNRL-LBPRGKRZSA-N	-1	0	291.445	3.801	20	30		CHEDRM
CC[C@H](Cc1ccccc1-c1csc(C#N)c1)C(=O)[O-]	ZINC000565235816	334546900	/nfs/dbraw/zinc/54/69/00/334546900.db2.gz	IVKQKFCMGBDBQI-LLVKDONJSA-N	-1	0	285.368	3.940	20	30		CHEDRM
N#Cc1ccc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)[O-])cc1	ZINC000578523905	335645403	/nfs/dbraw/zinc/64/54/03/335645403.db2.gz	VCDRHQCTZFZUET-PKOBYXMFSA-N	-1	0	289.334	3.514	20	30		CHEDRM
C[C@@H]1CC[C@@H](C([O-])=Nc2nc3ccsc3s2)O1	ZINC000330081538	534141072	/nfs/dbraw/zinc/14/10/72/534141072.db2.gz	JZYZQRIKNLKAQV-SVRRBLITSA-N	-1	0	268.363	3.513	20	30		CHEDRM
C[C@@H]1CC[C@H](C([O-])=Nc2nc3ccsc3s2)O1	ZINC000330081533	534216588	/nfs/dbraw/zinc/21/65/88/534216588.db2.gz	JZYZQRIKNLKAQV-HTRCEHHLSA-N	-1	0	268.363	3.513	20	30		CHEDRM
CC(C)c1ccc(C=NOCc2cc(C(=O)[O-])co2)cc1	ZINC000736513861	599844029	/nfs/dbraw/zinc/84/40/29/599844029.db2.gz	YLRWNKAZYQSBJA-UHFFFAOYSA-N	-1	0	287.315	3.652	20	30		CHEDRM
C=CCOc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1	ZINC000338615404	599907421	/nfs/dbraw/zinc/90/74/21/599907421.db2.gz	VONUOMCMVNUPIE-VOTSOKGWSA-N	-1	0	287.340	3.577	20	30		CHEDRM
O=C([O-])c1ccc(/C=C2\CCc3sccc3C2=O)cc1	ZINC000726891165	599966544	/nfs/dbraw/zinc/96/65/44/599966544.db2.gz	GUZFQWUGLCDQDS-FMIVXFBMSA-N	-1	0	284.336	3.659	20	30		CHEDRM
Cc1ccsc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000733749171	600246770	/nfs/dbraw/zinc/24/67/70/600246770.db2.gz	RTMSFNOPNBKSFN-DAXSKMNVSA-N	-1	0	272.325	3.651	20	30		CHEDRM
C=CCCCCCN(C)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000736097575	600600793	/nfs/dbraw/zinc/60/07/93/600600793.db2.gz	NIAFTVFHMHQMKM-UHFFFAOYSA-N	-1	0	290.363	3.595	20	30		CHEDRM
C[C@@H](Sc1cccc(C#N)c1)c1ccc(C(=O)[O-])o1	ZINC000827914799	601318935	/nfs/dbraw/zinc/31/89/35/601318935.db2.gz	GHGVITIEWLALRJ-SECBINFHSA-N	-1	0	273.313	3.703	20	30		CHEDRM
Cc1c2ccccc2oc1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1	ZINC000832849128	601330848	/nfs/dbraw/zinc/33/08/48/601330848.db2.gz	YGNZUNNNVNHPAZ-CLFYSBASSA-N	-1	0	295.294	3.664	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1C	ZINC000832876244	601330864	/nfs/dbraw/zinc/33/08/64/601330864.db2.gz	WPUMWXNPEOIKSZ-FNORWQNLSA-N	-1	0	283.327	3.534	20	30		CHEDRM
O=C([O-])c1ccc(C=NNc2c(Cl)cccc2Cl)o1	ZINC000833312081	601956341	/nfs/dbraw/zinc/95/63/41/601956341.db2.gz	IYAAIJREOQOWIM-UHFFFAOYSA-N	-1	0	299.113	3.731	20	30		CHEDRM
C=CCC(CC=C)c1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000825664947	602103551	/nfs/dbraw/zinc/10/35/51/602103551.db2.gz	QVVOWYMAIOGHON-UHFFFAOYSA-N	-1	0	284.315	3.671	20	30		CHEDRM
C=CCCCCCN(C)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000736097284	603008419	/nfs/dbraw/zinc/00/84/19/603008419.db2.gz	CZBRWPIEFPAPLJ-UHFFFAOYSA-N	-1	0	290.363	3.595	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CCC(NC(=O)[O-])CC1	ZINC000826819781	603632849	/nfs/dbraw/zinc/63/28/49/603632849.db2.gz	GHUICIIIQQVGGC-UEWDXFNNSA-N	-1	0	283.416	3.501	20	30		CHEDRM
CC(C)CCSCc1cccc(C(=O)[O-])c1C#N	ZINC000833483574	604537972	/nfs/dbraw/zinc/53/79/72/604537972.db2.gz	CPRNWLFNXVXDRF-UHFFFAOYSA-N	-1	0	263.362	3.536	20	30		CHEDRM
Cc1ccc(F)c(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000832935989	604627941	/nfs/dbraw/zinc/62/79/41/604627941.db2.gz	VRSGFZXBWHTQFR-CLFYSBASSA-N	-1	0	284.286	3.728	20	30		CHEDRM
CC(C)(C#N)c1ccccc1COc1ccc(C(=O)[O-])cc1	ZINC000826081494	604646947	/nfs/dbraw/zinc/64/69/47/604646947.db2.gz	VWGKBCLUXJXDNP-UHFFFAOYSA-N	-1	0	295.338	3.765	20	30		CHEDRM
C=CCC[C@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1	ZINC000833373238	604716370	/nfs/dbraw/zinc/71/63/70/604716370.db2.gz	IRVREFPLATXVPU-AWEZNQCLSA-N	-1	0	282.343	3.899	20	30		CHEDRM
C[C@@H]1C/C(=C/c2ccc(C(=O)[O-])o2)C(=O)c2ccccc21	ZINC000833585621	605052163	/nfs/dbraw/zinc/05/21/63/605052163.db2.gz	AOYVKXHFJYBWCV-QLWWJYNRSA-N	-1	0	282.295	3.751	20	30		CHEDRM
C=CCC[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C1CC1	ZINC000833373294	605118138	/nfs/dbraw/zinc/11/81/38/605118138.db2.gz	JYAAHYHIAURFMK-CQSZACIVSA-N	-1	0	289.331	3.678	20	30		CHEDRM
C=CCC[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C1CC1	ZINC000833373293	605118151	/nfs/dbraw/zinc/11/81/51/605118151.db2.gz	JYAAHYHIAURFMK-AWEZNQCLSA-N	-1	0	289.331	3.678	20	30		CHEDRM
N#Cc1c(Cl)cccc1SCc1occc1C(=O)[O-]	ZINC000833760961	605265677	/nfs/dbraw/zinc/26/56/77/605265677.db2.gz	KENWAOCPEMENTM-UHFFFAOYSA-N	-1	0	293.731	3.795	20	30		CHEDRM
CC(C)=CCCC(C)N=Nc1cccc(C(=O)[O-])c1	ZINC000749157587	605592608	/nfs/dbraw/zinc/59/26/08/605592608.db2.gz	JTEAFRUTZHOGDU-UHFFFAOYSA-N	-1	0	260.337	3.919	20	30		CHEDRM
C=CCCCN(CC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001602722102	971387248	/nfs/dbraw/zinc/38/72/48/971387248.db2.gz	YMUFVEKBLJYVAX-UHFFFAOYSA-N	-1	0	290.363	3.513	20	30		CHEDRM
N#Cc1ccccc1CSCc1cccc(C(=O)[O-])c1	ZINC000058238777	957557481	/nfs/dbraw/zinc/55/74/81/957557481.db2.gz	CAOAXPZKJLNQJB-UHFFFAOYSA-N	-1	0	283.352	3.690	20	30		CHEDRM
CCCCCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000059095633	957559723	/nfs/dbraw/zinc/55/97/23/957559723.db2.gz	FZGNHAWYHZQAQY-UHFFFAOYSA-N	-1	0	289.375	3.634	20	30		CHEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588451055	958404397	/nfs/dbraw/zinc/40/43/97/958404397.db2.gz	LANVSPXCWHWKEB-CQSZACIVSA-N	-1	0	299.729	3.718	20	30		CHEDRM
C=CCCCCCCNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001588458859	958467559	/nfs/dbraw/zinc/46/75/59/958467559.db2.gz	VSONOZZRNOPEPW-UHFFFAOYSA-N	-1	0	295.423	3.664	20	30		CHEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])s2)cc1Cl	ZINC000226055508	959869963	/nfs/dbraw/zinc/86/99/63/959869963.db2.gz	IVYRBGFZDFTSAD-UHFFFAOYSA-N	-1	0	293.731	3.550	20	30		CHEDRM
CCCCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001573841631	961086229	/nfs/dbraw/zinc/08/62/29/961086229.db2.gz	XVAWIPKRCXZYME-UHFFFAOYSA-N	-1	0	296.342	3.616	20	30		CHEDRM
C=C(C)c1cccc(NCc2ccc(OCC(=O)[O-])cc2)c1	ZINC001573325520	962797172	/nfs/dbraw/zinc/79/71/72/962797172.db2.gz	LATVMFMWWNFHRL-UHFFFAOYSA-N	-1	0	297.354	3.795	20	30		CHEDRM
C=C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1	ZINC001573348447	962958322	/nfs/dbraw/zinc/95/83/22/962958322.db2.gz	XCPFUAQEMCRIQF-OAHLLOKOSA-N	-1	0	297.310	3.861	20	30		CHEDRM
CCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000139577398	967642792	/nfs/dbraw/zinc/64/27/92/967642792.db2.gz	WYOFGNUIJOOGQU-AWEZNQCLSA-N	-1	0	283.412	3.593	20	30		CHEDRM
CCCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000313740404	967963173	/nfs/dbraw/zinc/96/31/73/967963173.db2.gz	BVXOOUCOKKTSPK-HUUCEWRRSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC000398221729	973085147	/nfs/dbraw/zinc/08/51/47/973085147.db2.gz	OBJRIZXUVWPWIG-LBPRGKRZSA-N	-1	0	290.363	3.560	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2csc(Cl)c2)cc1	ZINC000588558932	974964817	/nfs/dbraw/zinc/96/48/17/974964817.db2.gz	NBWMHINRRWAJPF-UTCJRWHESA-N	-1	0	292.743	3.996	20	30		CHEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])c(C)s1	ZINC000760242955	978705347	/nfs/dbraw/zinc/70/53/47/978705347.db2.gz	WKNJQLQMLYPGOJ-UHFFFAOYSA-N	-1	0	274.345	3.509	20	30		CHEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2Cl)c1	ZINC000774107243	978745846	/nfs/dbraw/zinc/74/58/46/978745846.db2.gz	WXPVQAGQYMCGIY-HJWRWDBZSA-N	-1	0	286.714	3.934	20	30		CHEDRM
C[C@@H]1C(N=Nc2ccc3ccccc3n2)CC[C@@H]1CC(=O)[O-]	ZINC000814697718	978873370	/nfs/dbraw/zinc/87/33/70/978873370.db2.gz	ZLVGIHXYYNASBN-WCQYABFASA-N	-1	0	297.358	3.524	20	30		CHEDRM
Cc1cc(C)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814753594	978880602	/nfs/dbraw/zinc/88/06/02/978880602.db2.gz	QVBCXXXIVFYZNB-STQMWFEESA-N	-1	0	274.364	3.592	20	30		CHEDRM
CCc1cccc(C)c1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814923297	978898723	/nfs/dbraw/zinc/89/87/23/978898723.db2.gz	ONSDONBSIDEGBW-OCCSQVGLSA-N	-1	0	288.391	3.846	20	30		CHEDRM
CC(CSC(C)(C)C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414647	979466923	/nfs/dbraw/zinc/46/69/23/979466923.db2.gz	AWMHNQSKEORKNX-UHFFFAOYSA-N	-1	0	294.420	3.633	20	30		CHEDRM
C=CCC[C@@H](C)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000859820009	979653323	/nfs/dbraw/zinc/65/33/23/979653323.db2.gz	PABPHTVUSZFKKB-SNVBAGLBSA-N	-1	0	258.321	3.633	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000909297138	981464123	/nfs/dbraw/zinc/46/41/23/981464123.db2.gz	LAXTYTCTSZEBHM-UHFFFAOYSA-N	-1	0	289.375	3.590	20	30		CHEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1	ZINC000909518098	981524463	/nfs/dbraw/zinc/52/44/63/981524463.db2.gz	XMVCSXFNWOWPQN-UHFFFAOYSA-N	-1	0	287.359	3.687	20	30		CHEDRM
CCCC(CC)N=Nc1cccc(F)c1C(=O)[O-]	ZINC001595585906	981527209	/nfs/dbraw/zinc/52/72/09/981527209.db2.gz	IHROKMUATPBVSD-UHFFFAOYSA-N	-1	0	252.289	3.502	20	30		CHEDRM
C=CCC(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910701159	982072056	/nfs/dbraw/zinc/07/20/56/982072056.db2.gz	QJPUKCZKWVJRPV-UHFFFAOYSA-N	-1	0	296.392	3.506	20	30		CHEDRM
CCCCCCCCC/C=C/C(=O)N1CC(C)(C(=O)[O-])C1	ZINC001595704588	982276896	/nfs/dbraw/zinc/27/68/96/982276896.db2.gz	CCJNKABQGVNETL-VAWYXSNFSA-N	-1	0	295.423	3.616	20	30		CHEDRM
CCCCCCCCCCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001595705027	982281516	/nfs/dbraw/zinc/28/15/16/982281516.db2.gz	NXKCQEVZEIQCDV-HUUCEWRRSA-N	-1	0	297.439	3.696	20	30		CHEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001588537361	983599272	/nfs/dbraw/zinc/59/92/72/983599272.db2.gz	NMKNJUXUBQJYQP-LSDHHAIUSA-N	-1	0	295.423	3.519	20	30		CHEDRM
C=C(C)CCC(=O)Nc1c(C(=O)[O-])ccc2ccccc21	ZINC001588554890	983632227	/nfs/dbraw/zinc/63/22/27/983632227.db2.gz	SQXAQCPYZOZIIE-UHFFFAOYSA-N	-1	0	283.327	3.833	20	30		CHEDRM
C=C(C)CCC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC001588560069	983641131	/nfs/dbraw/zinc/64/11/31/983641131.db2.gz	ZXAORDWRIVMHCI-UHFFFAOYSA-N	-1	0	275.348	3.803	20	30		CHEDRM
C=C(C)c1cccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1	ZINC001588605340	983692274	/nfs/dbraw/zinc/69/22/74/983692274.db2.gz	HSOJSOCJWKACKO-SREVYHEPSA-N	-1	0	297.310	3.663	20	30		CHEDRM
C=C[C@@H](Nc1ccc(SC(C)(C)C)cc1C)C(=O)[O-]	ZINC001588701966	983917666	/nfs/dbraw/zinc/91/76/66/983917666.db2.gz	FDXRMSUUXHZYJT-GFCCVEGCSA-N	-1	0	279.405	3.937	20	30		CHEDRM
C=C[C@@H](Sc1nc(C)c(C)n1C1CCCCC1)C(=O)[O-]	ZINC001588714158	983950294	/nfs/dbraw/zinc/95/02/94/983950294.db2.gz	ACYJFYRKWYLJRR-CYBMUJFWSA-N	-1	0	294.420	3.736	20	30		CHEDRM
C=CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001588721622	983972336	/nfs/dbraw/zinc/97/23/36/983972336.db2.gz	QPFMFFTXHWUARB-INIZCTEOSA-N	-1	0	295.338	3.683	20	30		CHEDRM
C=CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001588721623	983972475	/nfs/dbraw/zinc/97/24/75/983972475.db2.gz	QPFMFFTXHWUARB-MRXNPFEDSA-N	-1	0	295.338	3.683	20	30		CHEDRM
C=CC[C@@H](Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-]	ZINC001588751047	984075335	/nfs/dbraw/zinc/07/53/35/984075335.db2.gz	JXELIADQQDACIH-CYBMUJFWSA-N	-1	0	288.372	3.560	20	30		CHEDRM
C=CC[C@H](SC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC001588758168	984105354	/nfs/dbraw/zinc/10/53/54/984105354.db2.gz	FCHMJPFECZLFRS-YPMHNXCESA-N	-1	0	250.363	3.553	20	30		CHEDRM
C=CC[C@@H](S[C@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588758290	984105440	/nfs/dbraw/zinc/10/54/40/984105440.db2.gz	FHMCGLZDFKEPMA-ZWNOBZJWSA-N	-1	0	266.362	3.519	20	30		CHEDRM
C=CC[C@H](Sc1nc2cc(C)ccc2s1)C(=O)[O-]	ZINC001588758532	984106753	/nfs/dbraw/zinc/10/67/53/984106753.db2.gz	HGPQXKMLWLDIMH-NSHDSACASA-N	-1	0	279.386	3.726	20	30		CHEDRM
C=CC[C@H](Sc1ncc(C(C)C)n1C(C)C)C(=O)[O-]	ZINC001588759665	984113423	/nfs/dbraw/zinc/11/34/23/984113423.db2.gz	YMSCXDYASBWXSK-LBPRGKRZSA-N	-1	0	282.409	3.709	20	30		CHEDRM
C=CC[C@H]1CC[C@@H](Nc2ccc(CCC(=O)[O-])cc2)C1	ZINC001588770659	984135177	/nfs/dbraw/zinc/13/51/77/984135177.db2.gz	CBIOLVVSTWMSQT-GOEBONIOSA-N	-1	0	273.376	3.861	20	30		CHEDRM
C=CC[C@H]1CC[C@@H](Nc2ccc(C(=O)[O-])cc2OCC)C1	ZINC001588771456	984140278	/nfs/dbraw/zinc/14/02/78/984140278.db2.gz	VKGMSFLJBIKMPY-GXTWGEPZSA-N	-1	0	289.375	3.940	20	30		CHEDRM
C=CCC[C@H](Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC001588778598	984161328	/nfs/dbraw/zinc/16/13/28/984161328.db2.gz	GFVOCRIHGGEHFS-HNNXBMFYSA-N	-1	0	282.343	3.899	20	30		CHEDRM
CC(N=Nc1c(F)cccc1Cl)c1cc(C(=O)[O-])co1	ZINC001589016806	984998457	/nfs/dbraw/zinc/99/84/57/984998457.db2.gz	JOLSZPCFUAJSRL-UHFFFAOYSA-N	-1	0	296.685	3.606	20	30		CHEDRM
CC(C)(C#N)CCOc1cccc2c(CC(=O)[O-])cccc12	ZINC001589554778	987303115	/nfs/dbraw/zinc/30/31/15/987303115.db2.gz	NGVHETZHDFMWET-UHFFFAOYSA-N	-1	0	297.354	3.786	20	30		CHEDRM
CC(C)(C)[C@H](Sc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC001589722856	987894974	/nfs/dbraw/zinc/89/49/74/987894974.db2.gz	ONVWWAFYCKNRTA-LLVKDONJSA-N	-1	0	283.780	3.803	20	30		CHEDRM
CCc1ccc(C(C)=NNc2ccc(C(=O)[O-])c(F)c2)o1	ZINC001597512178	988097204	/nfs/dbraw/zinc/09/72/04/988097204.db2.gz	RFWJKNGZEAHHSN-UHFFFAOYSA-N	-1	0	290.294	3.515	20	30		CHEDRM
CCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C	ZINC001597552367	988280744	/nfs/dbraw/zinc/28/07/44/988280744.db2.gz	WMRZREHUABYPTN-KRWDZBQOSA-N	-1	0	294.354	3.667	20	30		CHEDRM
C[C@@H](SCc1cccc(C(=O)[O-])n1)c1cccc(C#N)c1	ZINC001593661663	996038781	/nfs/dbraw/zinc/03/87/81/996038781.db2.gz	KPPZBNNAEVZHDI-LLVKDONJSA-N	-1	0	298.367	3.646	20	30		CHEDRM
C[C@@H](Sc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1	ZINC001593664080	996048789	/nfs/dbraw/zinc/04/87/89/996048789.db2.gz	FZFMATQEDWWFDM-SECBINFHSA-N	-1	0	273.313	3.703	20	30		CHEDRM
CC1(C)CCC/C(=C/c2ccc(/C=C/C(=O)[O-])o2)C1=O	ZINC001593885521	996722675	/nfs/dbraw/zinc/72/26/75/996722675.db2.gz	MMUVIJDUXXXRAZ-LFOHPMNASA-N	-1	0	274.316	3.540	20	30		CHEDRM
N#CCCCc1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC001250060651	1122166468	/nfs/dbraw/zinc/16/64/68/1122166468.db2.gz	UZHXCTIQIVGHEE-UHFFFAOYSA-N	-1	0	258.104	3.538	20	30		CHEDRM
Cc1ccc(C#N)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203328442	1125527333	/nfs/dbraw/zinc/52/73/33/1125527333.db2.gz	UYAPHOSCKHGQMQ-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cccc(C#N)c1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211967016	1125536993	/nfs/dbraw/zinc/53/69/93/1125536993.db2.gz	RPUYCMCKGMSUNW-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
C#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F	ZINC001211969647	1125545941	/nfs/dbraw/zinc/54/59/41/1125545941.db2.gz	TWTBNFHDEUWMRL-UHFFFAOYSA-N	-1	0	289.693	3.902	20	30		CHEDRM
COc1cccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000757471464	1125766262	/nfs/dbraw/zinc/76/62/62/1125766262.db2.gz	CRAUVIGJCPWGAF-WAYWQWQTSA-N	-1	0	290.265	3.575	20	30		CHEDRM
C#C[C@H]1CCC[C@@H]1Oc1ccc2[n-]c(=S)sc2c1	ZINC001234425860	1130643352	/nfs/dbraw/zinc/64/33/52/1130643352.db2.gz	XHVIMWCKGKTCFS-CABZTGNLSA-N	-1	0	275.398	3.766	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)ccc2F)s1	ZINC000044026233	1127065255	/nfs/dbraw/zinc/06/52/55/1127065255.db2.gz	BPCBKRDKIUZURN-DAFODLJHSA-N	-1	0	294.278	3.621	20	30		CHEDRM
Cc1[n-]n(-c2cccc(Cl)c2Cl)c(=O)c1CCC#N	ZINC000601935732	1127553292	/nfs/dbraw/zinc/55/32/92/1127553292.db2.gz	XBQGXFKLCNGPKN-SECBINFHSA-N	-1	0	296.157	3.636	20	30		CHEDRM
N#CC(=C([O-])c1cccs1)c1cc(C(F)(F)F)ccn1	ZINC000362180406	1127617346	/nfs/dbraw/zinc/61/73/46/1127617346.db2.gz	GPACCUQTFDODGQ-SECBINFHSA-N	-1	0	296.273	3.652	20	30		CHEDRM
CCC[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000173915760	1127860226	/nfs/dbraw/zinc/86/02/26/1127860226.db2.gz	YTPPHODUAQWQND-FZMZJTMJSA-N	-1	0	296.370	3.804	20	30		CHEDRM
Cc1cc(-c2ccc(F)c(C(=O)[O-])c2F)cc(C)c1C#N	ZINC001205089758	1128110922	/nfs/dbraw/zinc/11/09/22/1128110922.db2.gz	YCPZYFCYTXEEFE-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
C=CCC[C@H](C(=O)[N-]OCc1ccccc1)c1ccccc1	ZINC000777770347	1128267923	/nfs/dbraw/zinc/26/79/23/1128267923.db2.gz	ZXUQWCNOZIOEDF-SFHVURJKSA-N	-1	0	295.382	3.984	20	30		CHEDRM
CC(C)(C#N)c1ccc(NC(=O)c2ccc(F)cc2[O-])cc1	ZINC000123374786	1128414414	/nfs/dbraw/zinc/41/44/14/1128414414.db2.gz	DHTITHGGBHYQFO-UHFFFAOYSA-N	-1	0	298.317	3.585	20	30		CHEDRM
CCC(C[C@@H](C)CC)N=Nc1ccc(C(=O)[O-])cc1	ZINC000915933667	1128396976	/nfs/dbraw/zinc/39/69/76/1128396976.db2.gz	NGYDHWRDIOTFKT-NSHDSACASA-N	-1	0	262.353	3.999	20	30		CHEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCc1ccccc1)CCC2	ZINC000915960176	1128397073	/nfs/dbraw/zinc/39/70/73/1128397073.db2.gz	SYWZAJRHCIQNLI-UHFFFAOYSA-N	-1	0	299.326	3.543	20	30		CHEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccsc2)c1[O-]	ZINC000915980136	1128400207	/nfs/dbraw/zinc/40/02/07/1128400207.db2.gz	NTDOYNXDPQQKIH-NSIKDUERSA-N	-1	0	296.735	3.634	20	30		CHEDRM
CCOc1ccccc1/C=C1\Oc2cc(O)cc(C)c2C1=O	ZINC000915988665	1128401800	/nfs/dbraw/zinc/40/18/00/1128401800.db2.gz	AHHUTCORPADQSE-SXGWCWSVSA-N	-1	0	296.322	3.716	20	30		CHEDRM
CC(=CC=Cc1ccc(F)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000562432566	1128402068	/nfs/dbraw/zinc/40/20/68/1128402068.db2.gz	PINKJXDBGXLLKK-QULOGMOTSA-N	-1	0	295.317	3.618	20	30		CHEDRM
Cc1ccc2c(C=NNc3cccc(C(=O)[O-])c3)c[nH]c2c1	ZINC000917530983	1128505344	/nfs/dbraw/zinc/50/53/44/1128505344.db2.gz	MMZUDCQVIFZDPA-UHFFFAOYSA-N	-1	0	293.326	3.621	20	30		CHEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1	ZINC000033473701	1128534857	/nfs/dbraw/zinc/53/48/57/1128534857.db2.gz	JCVUPKUJXLTFPS-TWGQIWQCSA-N	-1	0	286.714	3.934	20	30		CHEDRM
N#Cc1cccc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)[O-])c1	ZINC000566495329	1128546003	/nfs/dbraw/zinc/54/60/03/1128546003.db2.gz	ZCJHRHGAWFUMAY-HKUYNNGSSA-N	-1	0	289.334	3.514	20	30		CHEDRM
CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000041543835	1128547226	/nfs/dbraw/zinc/54/72/26/1128547226.db2.gz	PXEYNTMESBSKDF-NSHDSACASA-N	-1	0	296.351	3.942	20	30		CHEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545228	1128547728	/nfs/dbraw/zinc/54/77/28/1128547728.db2.gz	TZUPRMKQQCCFJB-ZDUSSCGKSA-N	-1	0	276.295	3.626	20	30		CHEDRM
Cc1c(Cl)c(-c2cc(C#N)cc(C#N)c2)ccc1C(=O)[O-]	ZINC001236126729	1128570921	/nfs/dbraw/zinc/57/09/21/1128570921.db2.gz	CNBHCYBDVUADTJ-UHFFFAOYSA-N	-1	0	296.713	3.757	20	30		CHEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1cccs1	ZINC000920944225	1128696285	/nfs/dbraw/zinc/69/62/85/1128696285.db2.gz	JVBJVKPVMBTROX-ZJTXEKFPSA-N	-1	0	276.317	3.542	20	30		CHEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccsc1	ZINC000175325914	1128725361	/nfs/dbraw/zinc/72/53/61/1128725361.db2.gz	WWCJRMCJUKAOTQ-OWOJBTEDSA-N	-1	0	266.268	3.628	20	30		CHEDRM
Cc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000048814301	1128731075	/nfs/dbraw/zinc/73/10/75/1128731075.db2.gz	NVAUNSKQYAMNHI-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1sc(Nc2cccc(F)c2O)c(C#N)c1C	ZINC001210195649	1118186724	/nfs/dbraw/zinc/18/67/24/1118186724.db2.gz	JSFQMZLOCCYXEB-UHFFFAOYSA-N	-1	0	262.309	3.825	20	30		CHEDRM
Cc1cc(Nc2nc3cc(Cl)ccc3o2)cnc1C#N	ZINC001210204688	1118195134	/nfs/dbraw/zinc/19/51/34/1118195134.db2.gz	STFOGLNGFNTYFL-UHFFFAOYSA-N	-1	0	284.706	3.800	20	30		CHEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)c1	ZINC000076100114	1128769180	/nfs/dbraw/zinc/76/91/80/1128769180.db2.gz	AYHGRJSVRZBOMP-CYBMUJFWSA-N	-1	0	297.420	3.713	20	30		CHEDRM
N#Cc1cc(Nc2cccc([S-])c2)cc(F)c1F	ZINC001210948115	1118429039	/nfs/dbraw/zinc/42/90/39/1118429039.db2.gz	DXTHCGJXFQHNSR-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
COc1cccc(C#N)c1Nc1cccc([S-])c1	ZINC001210950563	1118430963	/nfs/dbraw/zinc/43/09/63/1118430963.db2.gz	PGHQPGDGMPDLKP-UHFFFAOYSA-N	-1	0	256.330	3.599	20	30		CHEDRM
Cc1cc(C#N)c(Nc2cc(F)c(O)cc2F)s1	ZINC001215570446	1118528284	/nfs/dbraw/zinc/52/82/84/1118528284.db2.gz	GDHWRPYHJKXPGG-UHFFFAOYSA-N	-1	0	266.272	3.656	20	30		CHEDRM
Cc1cccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000157216164	1118621309	/nfs/dbraw/zinc/62/13/09/1118621309.db2.gz	DWCMXEPEXRKWAE-VMPITWQZSA-N	-1	0	283.283	3.505	20	30		CHEDRM
N#Cc1csc(/C=C\C(=O)c2cc(Cl)ccc2[O-])c1	ZINC000255361817	1118671165	/nfs/dbraw/zinc/67/11/65/1118671165.db2.gz	HNVXRNGSMGNMLV-RQOWECAXSA-N	-1	0	289.743	3.875	20	30		CHEDRM
COc1cc(N=Cc2cc(Cl)ccc2O)cc(OC)c1	ZINC000255439271	1118941982	/nfs/dbraw/zinc/94/19/82/1118941982.db2.gz	SEGZFLDSIUTAHB-UHFFFAOYSA-N	-1	0	291.734	3.813	20	30		CHEDRM
COc1ccccc1/C=C/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728438744	1118947241	/nfs/dbraw/zinc/94/72/41/1118947241.db2.gz	MVSARWZTOQBMRR-XATRDHJGSA-N	-1	0	298.313	3.992	20	30		CHEDRM
O=C(C=Cc1ccn(-c2ccccc2)n1)c1sccc1[O-]	ZINC000588495689	1118990555	/nfs/dbraw/zinc/99/05/55/1118990555.db2.gz	UAFAMRSEIGPKRD-SREVYHEPSA-N	-1	0	296.351	3.536	20	30		CHEDRM
CCc1cc(C#N)ccc1Nc1cc(C)cc(C(=O)[O-])c1	ZINC001211542796	1119060110	/nfs/dbraw/zinc/06/01/10/1119060110.db2.gz	QJLFJSREEGTDPU-UHFFFAOYSA-N	-1	0	280.327	3.871	20	30		CHEDRM
Cc1cc(Nc2ccc(Cl)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001211545119	1119080864	/nfs/dbraw/zinc/08/08/64/1119080864.db2.gz	VAKPQYXJDYDFER-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
CCCc1occc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000342651779	1119112475	/nfs/dbraw/zinc/11/24/75/1119112475.db2.gz	HIIBNZXTIHTDQN-GFCCVEGCSA-N	-1	0	294.310	3.863	20	30		CHEDRM
Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)ccc1C#N	ZINC001213634697	1119122099	/nfs/dbraw/zinc/12/20/99/1119122099.db2.gz	XURBAOMQLVGJEO-UHFFFAOYSA-N	-1	0	280.327	3.628	20	30		CHEDRM
O=C(/C=C/c1cccc2cnccc12)c1cc(F)ccc1[O-]	ZINC000180932736	1128823780	/nfs/dbraw/zinc/82/37/80/1128823780.db2.gz	XAHRBIRWCRFWGL-GQCTYLIASA-N	-1	0	293.297	3.976	20	30		CHEDRM
O=C(/C=C\c1ccc(Cl)s1)c1ccc(O)cc1[O-]	ZINC000255526680	1119160554	/nfs/dbraw/zinc/16/05/54/1119160554.db2.gz	AELUMGJQZMRAIY-DJWKRKHSSA-N	-1	0	280.732	3.709	20	30		CHEDRM
Cc1ccc(Nc2cc(F)c(C#N)cc2F)cc1C(=O)[O-]	ZINC001211602035	1119430528	/nfs/dbraw/zinc/43/05/28/1119430528.db2.gz	WXCCXYMZNDDDFU-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1ccc(Nc2cc(C#N)ccc2Cl)cc1C(=O)[O-]	ZINC001211604016	1119440098	/nfs/dbraw/zinc/44/00/98/1119440098.db2.gz	JZFOOYKHVXYIBJ-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
CCCCCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000147257749	1119467657	/nfs/dbraw/zinc/46/76/57/1119467657.db2.gz	HXSXCLKAGMZAAE-UHFFFAOYSA-N	-1	0	292.379	3.867	20	30		CHEDRM
Cc1cc(C#N)cc(Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC001211610143	1119478829	/nfs/dbraw/zinc/47/88/29/1119478829.db2.gz	HHMSFHDBMSZNGG-UHFFFAOYSA-N	-1	0	266.300	3.617	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)oc1C	ZINC000647378422	1119709298	/nfs/dbraw/zinc/70/92/98/1119709298.db2.gz	YMVFVVQMXGMDAR-LLVKDONJSA-N	-1	0	286.356	3.720	20	30		CHEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000647378350	1119709565	/nfs/dbraw/zinc/70/95/65/1119709565.db2.gz	QDVAQGUYJFCBTC-NSHDSACASA-N	-1	0	286.356	3.720	20	30		CHEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccc(F)s2)n1	ZINC000659115207	1120068041	/nfs/dbraw/zinc/06/80/41/1120068041.db2.gz	RAGFWEOIMNSIKN-MRVPVSSYSA-N	-1	0	294.376	3.957	20	30		CHEDRM
Cc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000122226752	1120073833	/nfs/dbraw/zinc/07/38/33/1120073833.db2.gz	UTOZQMHPPBGMMH-CYANDVJASA-N	-1	0	290.344	3.850	20	30		CHEDRM
O=C1c2ccc(O)cc2C/C1=C/c1cc(F)c(F)cc1F	ZINC000588535165	1120099089	/nfs/dbraw/zinc/09/90/89/1120099089.db2.gz	OOXHGYYIXGNPDH-WMZJFQQLSA-N	-1	0	290.240	3.632	20	30		CHEDRM
Cc1sc(Nc2ccc(C(=O)[O-])c(C)c2)c(C#N)c1C	ZINC001211647694	1120102721	/nfs/dbraw/zinc/10/27/21/1120102721.db2.gz	CZNZUJDJEDRQSR-UHFFFAOYSA-N	-1	0	286.356	3.987	20	30		CHEDRM
CCOc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1	ZINC000765826898	1120113125	/nfs/dbraw/zinc/11/31/25/1120113125.db2.gz	VMGNFDZRSDNBJG-IZZDOVSWSA-N	-1	0	296.322	3.680	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)s1	ZINC000041543967	1120283926	/nfs/dbraw/zinc/28/39/26/1120283926.db2.gz	LVUOVXLFCMYJMV-GFCCVEGCSA-N	-1	0	296.351	3.996	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041546082	1120284042	/nfs/dbraw/zinc/28/40/42/1120284042.db2.gz	OEYKUUMHFRSKDR-CYBMUJFWSA-N	-1	0	276.295	3.626	20	30		CHEDRM
C[C@@H]1CC(C)(C)CC1N=Nc1ccccc1C(=O)[O-]	ZINC000766002919	1120616239	/nfs/dbraw/zinc/61/62/39/1120616239.db2.gz	RGUZIACKUYVSQA-SNVBAGLBSA-N	-1	0	260.337	3.609	20	30		CHEDRM
Cc1cc(Nc2cc(Cl)cc(C#N)c2)ccc1C(=O)[O-]	ZINC001211658518	1120635179	/nfs/dbraw/zinc/63/51/79/1120635179.db2.gz	QKLDVKVTFXAQLM-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
Cc1cc(Nc2cc(F)cc(F)c2C#N)ccc1C(=O)[O-]	ZINC001211663598	1120706723	/nfs/dbraw/zinc/70/67/23/1120706723.db2.gz	RLZWTZYPJHRAJC-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cc(Nc2c(Cl)ccc([O-])c2Cl)ccc1N	ZINC001213439277	1120856281	/nfs/dbraw/zinc/85/62/81/1120856281.db2.gz	YMYYDXYXBBHLDZ-UHFFFAOYSA-N	-1	0	294.141	3.896	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(F)ccc(F)c1C#N	ZINC001174987095	1121142648	/nfs/dbraw/zinc/14/26/48/1121142648.db2.gz	YRNPFJUQBAINIM-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175158158	1121187856	/nfs/dbraw/zinc/18/78/56/1121187856.db2.gz	OJEULKASXNAUEN-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
CCOc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1F	ZINC001175239094	1121239289	/nfs/dbraw/zinc/23/92/89/1121239289.db2.gz	PBVUERFWHLOLKB-UHFFFAOYSA-N	-1	0	290.269	3.684	20	30		CHEDRM
Cc1cc(C#N)cc(Cl)c1Nc1cccc(C(=O)[O-])c1	ZINC001175329591	1121287210	/nfs/dbraw/zinc/28/72/10/1121287210.db2.gz	PNWHVUOBJBBZAD-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
N#Cc1ccc(Nc2cccc(O)c2F)c2cccnc12	ZINC001212553881	1121292424	/nfs/dbraw/zinc/29/24/24/1121292424.db2.gz	AATJXLXGGRKAAV-UHFFFAOYSA-N	-1	0	279.274	3.695	20	30		CHEDRM
COc1cc(Nc2scc([O-])c2C#N)ccc1Cl	ZINC001175774053	1121462214	/nfs/dbraw/zinc/46/22/14/1121462214.db2.gz	NPJJZVJVMMEOLG-UHFFFAOYSA-N	-1	0	280.736	3.731	20	30		CHEDRM
N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(F)c1	ZINC001176595027	1121650064	/nfs/dbraw/zinc/65/00/64/1121650064.db2.gz	FMORTSQEMZGHCY-XBXARRHUSA-N	-1	0	282.274	3.539	20	30		CHEDRM
N#Cc1ccc(F)cc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176671340	1121673023	/nfs/dbraw/zinc/67/30/23/1121673023.db2.gz	AJAPGUMOVXIPFJ-UHFFFAOYSA-N	-1	0	282.196	3.564	20	30		CHEDRM
Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001176671797	1121673553	/nfs/dbraw/zinc/67/35/53/1121673553.db2.gz	PJKYQHCDUCQHBD-UHFFFAOYSA-N	-1	0	278.233	3.733	20	30		CHEDRM
Cc1cc(C#N)c(Nc2c(F)cc(F)c([O-])c2F)cc1F	ZINC001176673509	1121673701	/nfs/dbraw/zinc/67/37/01/1121673701.db2.gz	IQIAOYHGCLJYHB-UHFFFAOYSA-N	-1	0	296.223	3.872	20	30		CHEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C)c(C)c1O	ZINC000728156708	1121774757	/nfs/dbraw/zinc/77/47/57/1121774757.db2.gz	MMGKEQGOMXACFY-UHFFFAOYSA-N	-1	0	298.342	3.543	20	30		CHEDRM
Cc1cc(F)ccc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000730148865	1121794244	/nfs/dbraw/zinc/79/42/44/1121794244.db2.gz	NVQHJQZUMQKVPA-HYXAFXHYSA-N	-1	0	290.315	3.790	20	30		CHEDRM
COCc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000172818527	1121921303	/nfs/dbraw/zinc/92/13/03/1121921303.db2.gz	ZNNGLWAAYUOBLT-FNORWQNLSA-N	-1	0	286.302	3.574	20	30		CHEDRM
CC(CCCC(F)(F)F)N=Nc1ccc(C(=O)[O-])cc1	ZINC000774300697	1122152027	/nfs/dbraw/zinc/15/20/27/1122152027.db2.gz	HWNMPXVZMOEOOP-UHFFFAOYSA-N	-1	0	288.269	3.905	20	30		CHEDRM
CCCCCCCCS(=O)(=O)[N-]c1cnc(C)s1	ZINC001187994537	1122450306	/nfs/dbraw/zinc/45/03/06/1122450306.db2.gz	LDIAMJUQHOLMSZ-UHFFFAOYSA-N	-1	0	290.454	3.554	20	30		CHEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2F)s1	ZINC001203286619	1122520848	/nfs/dbraw/zinc/52/08/48/1122520848.db2.gz	WQXKNGWTVHPREF-UHFFFAOYSA-N	-1	0	276.292	3.509	20	30		CHEDRM
Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1C	ZINC000048501960	1122685585	/nfs/dbraw/zinc/68/55/85/1122685585.db2.gz	XOTTUHZTYLCQDP-AATRIKPKSA-N	-1	0	286.352	3.959	20	30		CHEDRM
CCCCCCCOC(=O)N=c1s[n-]c(C)c1C#N	ZINC001193983101	1122734383	/nfs/dbraw/zinc/73/43/83/1122734383.db2.gz	XIHJISAKQSQRGD-UHFFFAOYSA-N	-1	0	281.381	3.842	20	30		CHEDRM
N#Cc1cccc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201222901	1123080517	/nfs/dbraw/zinc/08/05/17/1123080517.db2.gz	SERFTGLKLAEGAM-UHFFFAOYSA-N	-1	0	289.678	3.569	20	30		CHEDRM
CCCCCCCCCCS(=O)(=O)N[C@H]1[CH]CC=C1	ZINC001201837542	1123154201	/nfs/dbraw/zinc/15/42/01/1123154201.db2.gz	YXBSIPJSXNHBFA-OAHLLOKOSA-N	-1	0	286.461	3.579	20	30		CHEDRM
Cc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)o1	ZINC000049372018	1123244171	/nfs/dbraw/zinc/24/41/71/1123244171.db2.gz	IYHIBHWSJBEMAI-GQCTYLIASA-N	-1	0	262.692	3.843	20	30		CHEDRM
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccsc1	ZINC000507936581	1123247720	/nfs/dbraw/zinc/24/77/20/1123247720.db2.gz	KTUUFFUVHZSFQN-UHFFFAOYSA-N	-1	0	293.413	3.668	20	30		CHEDRM
C[C@H]1c2c(c(O)ccc2F)C(=O)/C1=C/c1ccc(O)cc1	ZINC000007333191	1123248884	/nfs/dbraw/zinc/24/88/84/1123248884.db2.gz	BVHYDKDULGTQBA-YXYQAXARSA-N	-1	0	284.286	3.620	20	30		CHEDRM
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)o1	ZINC000443417299	1123397412	/nfs/dbraw/zinc/39/74/12/1123397412.db2.gz	KJKVGVVEZASPKC-UHFFFAOYSA-N	-1	0	291.372	3.507	20	30		CHEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000474444490	1123531444	/nfs/dbraw/zinc/53/14/44/1123531444.db2.gz	HPSWCGFLEBSFSB-MRVPVSSYSA-N	-1	0	271.719	3.726	20	30		CHEDRM
C=CCCO[N-]C(=O)CSc1ccc(C(C)C)cc1	ZINC000856030916	1123545181	/nfs/dbraw/zinc/54/51/81/1123545181.db2.gz	WVWZBSNNLKDISN-UHFFFAOYSA-N	-1	0	279.405	3.526	20	30		CHEDRM
CO[C@H]1C[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000864347705	1123924331	/nfs/dbraw/zinc/92/43/31/1123924331.db2.gz	WLPLOGGKMMJPAF-HGJDWNGJSA-N	-1	0	288.174	3.543	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C)cc1	ZINC000084692168	1129154325	/nfs/dbraw/zinc/15/43/25/1129154325.db2.gz	BSPWQMJAHIJARK-UHFFFAOYSA-N	-1	0	297.420	3.713	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cccs1	ZINC000794927523	1124074200	/nfs/dbraw/zinc/07/42/00/1124074200.db2.gz	SFJUVQQFTSXCRR-WAYWQWQTSA-N	-1	0	286.352	3.959	20	30		CHEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc(O)cc1	ZINC000794927978	1124085510	/nfs/dbraw/zinc/08/55/10/1124085510.db2.gz	UIXHCVPESLUVNA-VMPITWQZSA-N	-1	0	296.322	3.603	20	30		CHEDRM
C=C[C@@]1(C)CC[C@H](Oc2ncc(Cl)cc2O)C(C)(C)O1	ZINC001227982610	1124091885	/nfs/dbraw/zinc/09/18/85/1124091885.db2.gz	FAVZMIFDMKXWQX-WFASDCNBSA-N	-1	0	297.782	3.722	20	30		CHEDRM
N#Cc1ncc(-c2ccc3sc(=S)[n-]c3c2)cc1F	ZINC001238992303	1131287533	/nfs/dbraw/zinc/28/75/33/1131287533.db2.gz	ISFJVJIGLRODMO-UHFFFAOYSA-N	-1	0	287.344	3.658	20	30		CHEDRM
N#Cc1cc2cc(-c3ccc(C(=O)[O-])cc3F)ccc2[nH]1	ZINC001239261536	1131309235	/nfs/dbraw/zinc/30/92/35/1131309235.db2.gz	HVGBUHRBNOUTAM-UHFFFAOYSA-N	-1	0	280.258	3.544	20	30		CHEDRM
C=C[C@@H](CC)OC(=O)c1cccc2[nH]c(C(F)F)nc21	ZINC001122878349	1131303732	/nfs/dbraw/zinc/30/37/32/1131303732.db2.gz	SXIJMDPGPLKSNW-QMMMGPOBSA-N	-1	0	280.274	3.622	20	30		CHEDRM
Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C)c1C#N	ZINC001239351746	1131321056	/nfs/dbraw/zinc/32/10/56/1131321056.db2.gz	MAMPWENCIBIHOI-UHFFFAOYSA-N	-1	0	287.265	3.819	20	30		CHEDRM
N#Cc1c[nH]c2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)cc12	ZINC001239353240	1131321631	/nfs/dbraw/zinc/32/16/31/1131321631.db2.gz	OYPHZOJACKBQQS-UHFFFAOYSA-N	-1	0	298.248	3.683	20	30		CHEDRM
CC[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000026302438	1125363852	/nfs/dbraw/zinc/36/38/52/1125363852.db2.gz	LTYXEMVHKWAYLO-HTMJNSLASA-N	-1	0	298.342	3.913	20	30		CHEDRM
COc1ccc(C)cc1/C=C\C(=O)c1ccccc1[O-]	ZINC000214519841	1125380925	/nfs/dbraw/zinc/38/09/25/1125380925.db2.gz	FYNDZYQDQOBNHI-HJWRWDBZSA-N	-1	0	268.312	3.605	20	30		CHEDRM
C[C@H]1CC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)C1	ZINC000739426357	1129403978	/nfs/dbraw/zinc/40/39/78/1129403978.db2.gz	KMNIKXLAHOSRIV-AFNPSIPYSA-N	-1	0	276.336	3.544	20	30		CHEDRM
Cc1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC001241350079	1129522024	/nfs/dbraw/zinc/52/20/24/1129522024.db2.gz	UYWGCEVHGPEBJR-UHFFFAOYSA-N	-1	0	271.703	3.885	20	30		CHEDRM
O=C([O-])c1ccc(N=NC2CC(c3ccccc3F)C2)cc1	ZINC000743418796	1129523771	/nfs/dbraw/zinc/52/37/71/1129523771.db2.gz	KATXLAMVNJPNBC-UHFFFAOYSA-N	-1	0	298.317	3.869	20	30		CHEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2cc(F)ccc2s1	ZINC000744117922	1129553768	/nfs/dbraw/zinc/55/37/68/1129553768.db2.gz	FHCYRZJCAOZMHG-USEMIUTHSA-N	-1	0	286.331	3.578	20	30		CHEDRM
[O-]/N=C/c1cc(-c2cscn2)cc(C(F)(F)F)c1	ZINC001241892183	1129628941	/nfs/dbraw/zinc/62/89/41/1129628941.db2.gz	YVDWCQMXQKDPJT-AYSLTRBKSA-N	-1	0	272.251	3.637	20	30		CHEDRM
CCCCCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000253624153	1129653208	/nfs/dbraw/zinc/65/32/08/1129653208.db2.gz	AKXDJFXEMVBEFU-KFWWJZLASA-N	-1	0	295.423	3.591	20	30		CHEDRM
N#Cc1ccc(Nc2c(Cl)ccc([O-])c2F)cc1C#N	ZINC001214561410	1129666953	/nfs/dbraw/zinc/66/69/53/1129666953.db2.gz	KRDUPTRDKCKHEP-UHFFFAOYSA-N	-1	0	287.681	3.672	20	30		CHEDRM
N#Cc1c(F)c(F)c(-c2ccc(F)cc2[O-])c(F)c1F	ZINC001242219073	1129690688	/nfs/dbraw/zinc/69/06/88/1129690688.db2.gz	WNUYJSANMBQMND-UHFFFAOYSA-N	-1	0	285.171	3.626	20	30		CHEDRM
CC(C)(C)n1ncc(C#N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212588392	1129717064	/nfs/dbraw/zinc/71/70/64/1129717064.db2.gz	OEUYAWWSZWNZTN-UHFFFAOYSA-N	-1	0	290.754	3.612	20	30		CHEDRM
COc1cccc(Nc2ccc(Cl)c([O-])c2)c1C#N	ZINC001212593475	1129743988	/nfs/dbraw/zinc/74/39/88/1129743988.db2.gz	SULKUFKIJGYYFN-UHFFFAOYSA-N	-1	0	274.707	3.669	20	30		CHEDRM
CCOc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000771745990	1129989238	/nfs/dbraw/zinc/98/92/38/1129989238.db2.gz	VKZTVEVJKGSECL-VMPITWQZSA-N	-1	0	274.341	3.749	20	30		CHEDRM
Cc1ccc(-c2cc(Cl)c([O-])c(Cl)c2)c(C#N)n1	ZINC001242853413	1130092638	/nfs/dbraw/zinc/09/26/38/1130092638.db2.gz	OGLBKSVTNHIHRB-UHFFFAOYSA-N	-1	0	279.126	3.941	20	30		CHEDRM
C=CCOc1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1	ZINC000780188256	1130233758	/nfs/dbraw/zinc/23/37/58/1130233758.db2.gz	MUIFKRVVEYLSGY-DHDCSXOGSA-N	-1	0	292.334	3.779	20	30		CHEDRM
CC1(NC(=S)[N-]c2ccccc2SCCC#N)CC1	ZINC000789230764	1130239816	/nfs/dbraw/zinc/23/98/16/1130239816.db2.gz	FKMLGMOBTVCUAJ-UHFFFAOYSA-N	-1	0	291.445	3.531	20	30		CHEDRM
CC(C)=CCCC(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000749158557	1130269712	/nfs/dbraw/zinc/26/97/12/1130269712.db2.gz	QDEUOSKCMWBABQ-UHFFFAOYSA-N	-1	0	260.337	3.919	20	30		CHEDRM
N#Cc1cc2cc(-c3cccc(/C=C/C(=O)[O-])c3)ccc2[nH]1	ZINC001240550092	1130352919	/nfs/dbraw/zinc/35/29/19/1130352919.db2.gz	PDMLCALAWUETQH-QPJJXVBHSA-N	-1	0	288.306	3.804	20	30		CHEDRM
O=C([O-])/C=C/c1cccc(-c2ccccc2CS)c1	ZINC001240550978	1130353538	/nfs/dbraw/zinc/35/35/38/1130353538.db2.gz	OEOWISYIDOTITG-CMDGGOBGSA-N	-1	0	270.353	3.881	20	30		CHEDRM
COc1cc(-c2cc(/C=N/[O-])ccc2F)cc(F)c1F	ZINC001240662252	1130408222	/nfs/dbraw/zinc/40/82/22/1130408222.db2.gz	MYJJWDQNIOVTOB-CNHKJKLMSA-N	-1	0	281.233	3.588	20	30		CHEDRM
C#C[C@@H](CC)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000792570978	1130460473	/nfs/dbraw/zinc/46/04/73/1130460473.db2.gz	VPBCYDJQNJDBGI-VNCYPQDWSA-N	-1	0	256.132	3.530	20	30		CHEDRM
O=C(/C=C\c1cncc2ccccc12)c1cc(F)ccc1[O-]	ZINC000772801483	1130462875	/nfs/dbraw/zinc/46/28/75/1130462875.db2.gz	LLRKUJKQCCZRLN-ALCCZGGFSA-N	-1	0	293.297	3.976	20	30		CHEDRM
N#Cc1nccc2cc(-c3ccc(C(=O)[O-])s3)ccc12	ZINC001240848489	1130493282	/nfs/dbraw/zinc/49/32/82/1130493282.db2.gz	CQLYOIHKOVZBSK-UHFFFAOYSA-N	-1	0	280.308	3.533	20	30		CHEDRM
[O-]N=Cc1ccccc1-c1ccc(F)c(F)c1F	ZINC001240993442	1130557656	/nfs/dbraw/zinc/55/76/56/1130557656.db2.gz	LEIXONSILNFKSB-UHFFFAOYSA-N	-1	0	251.207	3.579	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(C2(C#N)CC2)c1	ZINC001241002396	1130559242	/nfs/dbraw/zinc/55/92/42/1130559242.db2.gz	ZYMZKGNYGWNYDD-UHFFFAOYSA-N	-1	0	277.323	3.915	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc2c(c1C#N)CCCC2	ZINC001241001264	1130559681	/nfs/dbraw/zinc/55/96/81/1130559681.db2.gz	RAHCUXRGPIIVGY-UHFFFAOYSA-N	-1	0	292.338	3.506	20	30		CHEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc2sc(C#N)nc21	ZINC001241003542	1130560692	/nfs/dbraw/zinc/56/06/92/1130560692.db2.gz	SNKSOGYMSKRCEF-UHFFFAOYSA-N	-1	0	294.335	3.842	20	30		CHEDRM
C#CC[C@@H](CC)Oc1ccc2[n-]c(=S)sc2c1	ZINC001234424667	1130642614	/nfs/dbraw/zinc/64/26/14/1130642614.db2.gz	MKEJAGBQGTWFFQ-SECBINFHSA-N	-1	0	263.387	3.766	20	30		CHEDRM
CC[C@@H](C#Cc1ccccc1)Oc1ccccc1C=N[O-]	ZINC001234819131	1130677263	/nfs/dbraw/zinc/67/72/63/1130677263.db2.gz	IANAMDXHZCYJPM-KRWDZBQOSA-N	-1	0	279.339	3.704	20	30		CHEDRM
C=C[C@@H](CCCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822640	1130678707	/nfs/dbraw/zinc/67/87/07/1130678707.db2.gz	YDDHLQGKRAVNOL-ZDUSSCGKSA-N	-1	0	288.343	3.931	20	30		CHEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000782352956	1130774300	/nfs/dbraw/zinc/77/43/00/1130774300.db2.gz	XUZPIDALZFXBIG-GORDUTHDSA-N	-1	0	291.709	3.784	20	30		CHEDRM
O=C(/C=C\c1scnc1C1CC1)c1cc(F)ccc1[O-]	ZINC000782349404	1130775047	/nfs/dbraw/zinc/77/50/47/1130775047.db2.gz	XZDARIYJOHEPMS-WAYWQWQTSA-N	-1	0	289.331	3.761	20	30		CHEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000782348487	1130775258	/nfs/dbraw/zinc/77/52/58/1130775258.db2.gz	RXAZOUJCKQPPTA-DJWKRKHSSA-N	-1	0	291.709	3.784	20	30		CHEDRM
COc1ccc(CC#N)cc1-c1c(F)cc(F)c([O-])c1F	ZINC001235998364	1130828026	/nfs/dbraw/zinc/82/80/26/1130828026.db2.gz	LZTLVXJHGMDEJO-UHFFFAOYSA-N	-1	0	293.244	3.551	20	30		CHEDRM
CC(=NNc1ccc(F)cc1F)c1csc(C(=O)[O-])c1	ZINC000814686481	1130894851	/nfs/dbraw/zinc/89/48/51/1130894851.db2.gz	IRWBVDZOAJOZKN-UHFFFAOYSA-N	-1	0	296.298	3.561	20	30		CHEDRM
CCC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1	ZINC000814690111	1130900546	/nfs/dbraw/zinc/90/05/46/1130900546.db2.gz	UPYOYUAOFJVXFM-UHFFFAOYSA-N	-1	0	292.722	3.857	20	30		CHEDRM
CC(C)C1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000814690071	1130901169	/nfs/dbraw/zinc/90/11/69/1130901169.db2.gz	SGXKHTCITIDVOM-UHFFFAOYSA-N	-1	0	280.755	3.872	20	30		CHEDRM
CC(C)(C)[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])CS1	ZINC000814769241	1130909750	/nfs/dbraw/zinc/90/97/50/1130909750.db2.gz	WTNHLAUJVNCQJK-ZDUSSCGKSA-N	-1	0	292.404	3.704	20	30		CHEDRM
C[C@@H]1C(=NOCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814792482	1130911619	/nfs/dbraw/zinc/91/16/19/1130911619.db2.gz	RMODEHUESXJSHP-TZMCWYRMSA-N	-1	0	289.375	3.716	20	30		CHEDRM
CC(=NN[C@@H](C)c1ccccc1)c1csc(C(=O)[O-])c1	ZINC000814815045	1130916288	/nfs/dbraw/zinc/91/62/88/1130916288.db2.gz	KWFKXVCURHHIPK-JTQLQIEISA-N	-1	0	288.372	3.521	20	30		CHEDRM
CC(=NNc1cc(C)ccc1F)c1csc(C(=O)[O-])c1	ZINC000814872486	1130928051	/nfs/dbraw/zinc/92/80/51/1130928051.db2.gz	OGYBDTXMYYWXGG-UHFFFAOYSA-N	-1	0	292.335	3.730	20	30		CHEDRM
CCCCCC[C@H](C)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000814858744	1130929108	/nfs/dbraw/zinc/92/91/08/1130929108.db2.gz	FQDWWMXKNZJPGK-KCQAQPDRSA-N	-1	0	282.428	3.812	20	30		CHEDRM
C[C@@H]1C(=NNCC2(C)CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814937980	1130939918	/nfs/dbraw/zinc/93/99/18/1130939918.db2.gz	SWFLPVJEEMEXEF-OLZOCXBDSA-N	-1	0	294.439	3.669	20	30		CHEDRM
C[C@H]1C(=NNCC2(C)CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814937982	1130940136	/nfs/dbraw/zinc/94/01/36/1130940136.db2.gz	SWFLPVJEEMEXEF-QWHCGFSZSA-N	-1	0	294.439	3.669	20	30		CHEDRM
CC[C@H](C)CON=C(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814939250	1130941059	/nfs/dbraw/zinc/94/10/59/1130941059.db2.gz	KCUZDQAJPFCDAO-NWDGAFQWSA-N	-1	0	257.374	3.706	20	30		CHEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NN1CCC(C(C)(C)C)CC1	ZINC000814913117	1130942029	/nfs/dbraw/zinc/94/20/29/1130942029.db2.gz	HIRWVZFYWRIUAX-CHWSQXEVSA-N	-1	0	294.439	3.621	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C\c2ccccc2C#N)c([O-])c1	ZINC000799895964	1131113518	/nfs/dbraw/zinc/11/35/18/1131113518.db2.gz	SKDRXYNBCPJGAB-FPLPWBNLSA-N	-1	0	277.323	3.777	20	30		CHEDRM
Cc1cc(C)c(C(=O)/C=C/c2ccc(C#N)s2)c([O-])c1	ZINC000799896430	1131113885	/nfs/dbraw/zinc/11/38/85/1131113885.db2.gz	VWUIGKIPDKMSBY-AATRIKPKSA-N	-1	0	283.352	3.838	20	30		CHEDRM
Cc1c(N=NC2CC[C@@H]2C2CCC2)cccc1C(=O)[O-]	ZINC000844622344	1131585819	/nfs/dbraw/zinc/58/58/19/1131585819.db2.gz	CISWTULQMIHKDS-CYBMUJFWSA-N	-1	0	272.348	3.671	20	30		CHEDRM
CC(CC(C)(C)C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009398	1131753821	/nfs/dbraw/zinc/75/38/21/1131753821.db2.gz	RXKMGASBMVMURO-UHFFFAOYSA-N	-1	0	266.316	3.748	20	30		CHEDRM
C=CC[C@@H](Oc1cc(=O)[nH]c(SC)n1)c1ccccc1	ZINC001228091069	1131806878	/nfs/dbraw/zinc/80/68/78/1131806878.db2.gz	SRIMMZHKQRFPLL-GFCCVEGCSA-N	-1	0	288.372	3.600	20	30		CHEDRM
C=CCc1cc(OC)c(O[C@@H](C)C2=CC=C[CH]2)c(OC)c1	ZINC001228428291	1131880623	/nfs/dbraw/zinc/88/06/23/1131880623.db2.gz	YBUSMUWPSKSTFY-ZDUSSCGKSA-N	-1	0	285.363	3.900	20	30		CHEDRM
Cc1cc(C=CC(=O)c2sccc2[O-])ccc1F	ZINC000773142992	1131960226	/nfs/dbraw/zinc/96/02/26/1131960226.db2.gz	KVPUQONVCCYIHJ-HWKANZROSA-N	-1	0	262.305	3.797	20	30		CHEDRM
Cc1ccc(Cl)cc1[C@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228900688	1131975587	/nfs/dbraw/zinc/97/55/87/1131975587.db2.gz	GYIPUGPFIZAIBF-JTQLQIEISA-N	-1	0	288.734	3.761	20	30		CHEDRM
C[C@@H](Oc1ccc(N=C2C=CC(=O)C=C2)cc1)C1=CC=C[CH]1	ZINC001229695557	1132106272	/nfs/dbraw/zinc/10/62/72/1132106272.db2.gz	ZLLQCBMDYJEOEW-CQSZACIVSA-N	-1	0	290.342	3.922	20	30		CHEDRM
C#C[C@@H](CC(C)C)Oc1cccc2oc(=S)[n-]c21	ZINC001231065272	1132250329	/nfs/dbraw/zinc/25/03/29/1132250329.db2.gz	LJIWVCVLEVOFAS-JTQLQIEISA-N	-1	0	261.346	3.543	20	30		CHEDRM
CCC[C@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000840707112	1132272867	/nfs/dbraw/zinc/27/28/67/1132272867.db2.gz	NPMPFLADDFZCPS-CRZGJZTJSA-N	-1	0	290.190	3.933	20	30		CHEDRM
CCCON=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000842550800	1132440094	/nfs/dbraw/zinc/44/00/94/1132440094.db2.gz	KRRQTZYYDCLZNS-UHFFFAOYSA-N	-1	0	289.331	3.519	20	30		CHEDRM
N#Cc1ccc(NC(=O)c2cccc3sccc32)c(O)c1	ZINC001153438440	1132594090	/nfs/dbraw/zinc/59/40/90/1132594090.db2.gz	XAUXXPALZTXWRU-UHFFFAOYSA-N	-1	0	294.335	3.731	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cnc2ccccc2c1	ZINC001174000727	1132672122	/nfs/dbraw/zinc/67/21/22/1132672122.db2.gz	GQHJDEDLTSTCOF-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cncc2ccccc21	ZINC001174100262	1132717356	/nfs/dbraw/zinc/71/73/56/1132717356.db2.gz	WZKMIAXWYPKCMZ-UHFFFAOYSA-N	-1	0	267.313	3.617	20	30		CHEDRM
N#C[C@@H](Nc1cc(F)ccc1[S-])c1ccccc1	ZINC001161720736	1133020681	/nfs/dbraw/zinc/02/06/81/1133020681.db2.gz	FVCLXRAOACDFPL-CYBMUJFWSA-N	-1	0	258.321	3.791	20	30		CHEDRM
N#CCc1c(F)cccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205115604	1133532261	/nfs/dbraw/zinc/53/22/61/1133532261.db2.gz	UEUQOYXVTGNTMF-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
C=CCc1cc(C)cnc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206005703	1133641144	/nfs/dbraw/zinc/64/11/44/1133641144.db2.gz	RXLARVNQIPRKHA-UHFFFAOYSA-N	-1	0	289.281	3.762	20	30		CHEDRM
Cc1cc(F)cc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1C#N	ZINC001206038693	1133646023	/nfs/dbraw/zinc/64/60/23/1133646023.db2.gz	MVXYLJDXUZYHJK-UHFFFAOYSA-N	-1	0	291.228	3.649	20	30		CHEDRM
N#CCc1c(F)cccc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206058158	1133651165	/nfs/dbraw/zinc/65/11/65/1133651165.db2.gz	ISDXEDKJQBHBOJ-UHFFFAOYSA-N	-1	0	291.228	3.535	20	30		CHEDRM
N#Cc1ncccc1Nc1ccc(Cl)cc1[S-]	ZINC001210146956	1134156172	/nfs/dbraw/zinc/15/61/72/1134156172.db2.gz	LILROYHXANAUDO-UHFFFAOYSA-N	-1	0	261.737	3.639	20	30		CHEDRM
N#Cc1ccc(Nc2cccc([O-])c2Cl)cc1C#N	ZINC001210855068	1134313295	/nfs/dbraw/zinc/31/32/95/1134313295.db2.gz	RIYXOBZNXMFUDO-UHFFFAOYSA-N	-1	0	269.691	3.533	20	30		CHEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cccc([O-])c1Cl	ZINC001210854565	1134313573	/nfs/dbraw/zinc/31/35/73/1134313573.db2.gz	FHFUHTRHPIOJTJ-UHFFFAOYSA-N	-1	0	283.718	3.841	20	30		CHEDRM
N#Cc1cncc(Nc2cc(Cl)c([O-])c(Cl)c2)c1	ZINC001210924943	1134329172	/nfs/dbraw/zinc/32/91/72/1134329172.db2.gz	YPXLCSFMGHOCPC-UHFFFAOYSA-N	-1	0	280.114	3.709	20	30		CHEDRM
N#Cc1cc(F)c(Nc2cccc([S-])c2)cc1F	ZINC001210947022	1134335711	/nfs/dbraw/zinc/33/57/11/1134335711.db2.gz	ASAAEZKHGCJHIK-UHFFFAOYSA-N	-1	0	262.284	3.869	20	30		CHEDRM
N#Cc1ccc(Nc2ccccc2C(=O)[O-])c(F)c1Cl	ZINC001210968727	1134341720	/nfs/dbraw/zinc/34/17/20/1134341720.db2.gz	ISCWGWYHQQYWBR-UHFFFAOYSA-N	-1	0	290.681	3.793	20	30		CHEDRM
C#Cc1cc(Nc2cc(C(=O)[O-])ccc2OCC)ccc1F	ZINC001214275369	1134526909	/nfs/dbraw/zinc/52/69/09/1134526909.db2.gz	RCNKGBQGGMATGK-UHFFFAOYSA-N	-1	0	299.301	3.648	20	30		CHEDRM
CCOc1cc(Nc2scc([O-])c2C#N)ccc1C	ZINC001214323135	1134528879	/nfs/dbraw/zinc/52/88/79/1134528879.db2.gz	OFDWISVPJLSJGI-UHFFFAOYSA-N	-1	0	274.345	3.776	20	30		CHEDRM
N#Cc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccc1F	ZINC001214488957	1134543239	/nfs/dbraw/zinc/54/32/39/1134543239.db2.gz	RDDYQXHVCWSSKY-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
COc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccc1C#N	ZINC001214490023	1134544833	/nfs/dbraw/zinc/54/48/33/1134544833.db2.gz	NDYFPHHEFBENAI-UHFFFAOYSA-N	-1	0	292.697	3.809	20	30		CHEDRM
N#Cc1cc(F)ccc1Nc1c(Cl)ccc([O-])c1F	ZINC001214563620	1134552030	/nfs/dbraw/zinc/55/20/30/1134552030.db2.gz	JTIASQYGMNSXNY-UHFFFAOYSA-N	-1	0	280.661	3.939	20	30		CHEDRM
N#Cc1cc(Nc2c(F)c(O)ccc2Cl)c([O-])cc1F	ZINC001214563800	1134552576	/nfs/dbraw/zinc/55/25/76/1134552576.db2.gz	SZVCCCXTAWWXRQ-UHFFFAOYSA-N	-1	0	296.660	3.645	20	30		CHEDRM
CC(C)n1ncc(C#N)c1Nc1ccc(Cl)c([O-])c1F	ZINC001214796178	1134573890	/nfs/dbraw/zinc/57/38/90/1134573890.db2.gz	HZUHUGZALZBCSA-UHFFFAOYSA-N	-1	0	294.717	3.577	20	30		CHEDRM
Cc1ccc(C#N)c(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001215463555	1134629591	/nfs/dbraw/zinc/62/95/91/1134629591.db2.gz	CCKPYIQGYFVSLK-UHFFFAOYSA-N	-1	0	288.253	3.587	20	30		CHEDRM
Cc1cc(C#N)cc(C)c1Nc1cc([O-])c(F)c(F)c1	ZINC001215646703	1134655994	/nfs/dbraw/zinc/65/59/94/1134655994.db2.gz	DHQMXJDXAPSSMO-UHFFFAOYSA-N	-1	0	274.270	3.903	20	30		CHEDRM
N#Cc1c([O-])csc1Nc1cc(Cl)cc2n[nH]cc21	ZINC001215858277	1134704362	/nfs/dbraw/zinc/70/43/62/1134704362.db2.gz	KVTLFOSXLGMKTO-UHFFFAOYSA-N	-1	0	290.735	3.599	20	30		CHEDRM
COc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cc1C#N	ZINC001216312097	1134846483	/nfs/dbraw/zinc/84/64/83/1134846483.db2.gz	ZSCZPCHWAZELGP-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
COc1cccc(C#N)c1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216312001	1134846729	/nfs/dbraw/zinc/84/67/29/1134846729.db2.gz	WWUAIMIVSMBSAB-UHFFFAOYSA-N	-1	0	296.326	3.626	20	30		CHEDRM
CCc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1C#N	ZINC001216316644	1134850094	/nfs/dbraw/zinc/85/00/94/1134850094.db2.gz	LDCKDGWNADZFDR-UHFFFAOYSA-N	-1	0	281.290	3.581	20	30		CHEDRM
Cc1c(Nc2c(Cl)cccc2C#N)cccc1C(=O)[O-]	ZINC001216661979	1134942096	/nfs/dbraw/zinc/94/20/96/1134942096.db2.gz	WYDKFHSAVXKDRO-UHFFFAOYSA-N	-1	0	286.718	3.962	20	30		CHEDRM
CCc1cccc(-c2noc(-c3ccc(C#N)cc3[O-])n2)c1	ZINC001217038992	1134958859	/nfs/dbraw/zinc/95/88/59/1134958859.db2.gz	MUAYXAUOJGLDAJ-UHFFFAOYSA-N	-1	0	291.310	3.543	20	30		CHEDRM
N#CCCc1cccc(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222402666	1135236679	/nfs/dbraw/zinc/23/66/79/1135236679.db2.gz	CETQXPUKBFWHFE-UHFFFAOYSA-N	-1	0	287.265	3.786	20	30		CHEDRM
N#CCCc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1	ZINC001222679219	1135263770	/nfs/dbraw/zinc/26/37/70/1135263770.db2.gz	WSWYNSJPRDETNR-UHFFFAOYSA-N	-1	0	291.350	3.926	20	30		CHEDRM
N#CCc1ccccc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222686673	1135263799	/nfs/dbraw/zinc/26/37/99/1135263799.db2.gz	VOGAGFATFVEIQD-UHFFFAOYSA-N	-1	0	277.323	3.536	20	30		CHEDRM
CCCCCCCCCC[C@@H](C)OCc1nnn[n-]1	ZINC001223026562	1135295383	/nfs/dbraw/zinc/29/53/83/1135295383.db2.gz	BCVYYSKQIKPILV-CYBMUJFWSA-N	-1	0	268.405	3.636	20	30		CHEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cccnc1	ZINC001223589942	1135362358	/nfs/dbraw/zinc/36/23/58/1135362358.db2.gz	AQVGLHYIVRMMPZ-BXWLNTHASA-N	-1	0	276.723	3.649	20	30		CHEDRM
C=C[C@H](CCCCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225620920	1135598245	/nfs/dbraw/zinc/59/82/45/1135598245.db2.gz	XVRVLQRNGJMPRU-LLVKDONJSA-N	-1	0	265.309	3.814	20	30		CHEDRM
C=CC[C@H](Oc1[n-]c(=O)ncc1F)c1ccc(Cl)cc1	ZINC001225886502	1135634048	/nfs/dbraw/zinc/63/40/48/1135634048.db2.gz	ZDCYJEUKMBFYLL-LBPRGKRZSA-N	-1	0	294.713	3.671	20	30		CHEDRM
C=CCc1c(O)ccc(C(C)=O)c1O[C@H](C)C1CC1	ZINC001227118271	1135787364	/nfs/dbraw/zinc/78/73/64/1135787364.db2.gz	FJWIQPFSSAXDDI-LLVKDONJSA-N	-1	0	260.333	3.501	20	30		CHEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2=CCCCC2)cc1	ZINC000034997199	171926068	/nfs/dbraw/zinc/92/60/68/171926068.db2.gz	SJFKSJADDXAODB-UHFFFAOYSA-N	-1	0	293.388	3.531	20	30		CHEDRM
C[C@@H]1C[C@H](C([O-])=Nc2nc3ccsc3s2)CCC1=O	ZINC000329002841	227254578	/nfs/dbraw/zinc/25/45/78/227254578.db2.gz	WMELAFQTBMNUTJ-HTQZYQBOSA-N	-1	0	294.401	3.951	20	30		CHEDRM
N#CC(=C([O-])c1cc[nH]c1C1CC1)c1nc2ccccc2o1	ZINC000340367772	263119988	/nfs/dbraw/zinc/11/99/88/263119988.db2.gz	ZTLLXQSUSVKHPP-GFCCVEGCSA-N	-1	0	291.310	3.523	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)o1	ZINC000080457657	264395708	/nfs/dbraw/zinc/39/57/08/264395708.db2.gz	UVESXNWEIMEPRZ-LBPRGKRZSA-N	-1	0	288.372	3.966	20	30		CHEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)oc1C	ZINC000532267999	328712731	/nfs/dbraw/zinc/71/27/31/328712731.db2.gz	WQLLYHXBDCARQZ-NSHDSACASA-N	-1	0	280.283	3.528	20	30		CHEDRM
CCc1sc(C([O-])=C(C#N)c2nc(C)cs2)cc1C	ZINC000041521520	329565526	/nfs/dbraw/zinc/56/55/26/329565526.db2.gz	GFOGWFWKLILNAI-SNVBAGLBSA-N	-1	0	290.413	3.874	20	30		CHEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000571804776	329922008	/nfs/dbraw/zinc/92/20/08/329922008.db2.gz	ZDQGFIXZKACRNA-UHFFFAOYSA-N	-1	0	265.312	3.853	20	30		CHEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000080451298	330131017	/nfs/dbraw/zinc/13/10/17/330131017.db2.gz	NFMDYKHIPXVKSN-SNVBAGLBSA-N	-1	0	274.345	3.658	20	30		CHEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/C=C\c1ccc(F)cc1	ZINC000439146624	330734651	/nfs/dbraw/zinc/73/46/51/330734651.db2.gz	IYDJMPWHCRWKKW-HSFFGMMNSA-N	-1	0	294.285	3.517	20	30		CHEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(Br)ccc1O	ZINC000184837778	333132653	/nfs/dbraw/zinc/13/26/53/333132653.db2.gz	SEFYCVAGSUNSGK-VIFPVBQESA-N	-1	0	298.180	3.696	20	30		CHEDRM
C=CCN(Cc1ccc(Cl)s1)[C@@H](CCC)C(=O)[O-]	ZINC000521887092	333195871	/nfs/dbraw/zinc/19/58/71/333195871.db2.gz	ZBKBRDXMVZTAED-NSHDSACASA-N	-1	0	287.812	3.643	20	30		CHEDRM
Cc1csc(C(C#N)=C([O-])c2csc(Cl)c2)n1	ZINC000191371860	333218815	/nfs/dbraw/zinc/21/88/15/333218815.db2.gz	DGPHJZKRDKGABH-MRVPVSSYSA-N	-1	0	282.777	3.657	20	30		CHEDRM
N#Cc1ccc(CNc2cc(Cl)cc(C(=O)[O-])c2)cc1	ZINC000739117906	600208017	/nfs/dbraw/zinc/20/80/17/600208017.db2.gz	JOSKQENLEDXIKX-UHFFFAOYSA-N	-1	0	286.718	3.522	20	30		CHEDRM
C=CCCCS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736102634	600439614	/nfs/dbraw/zinc/43/96/14/600439614.db2.gz	SKNLCFUPAXKSBM-LLVKDONJSA-N	-1	0	295.404	3.600	20	30		CHEDRM
N#Cc1ccc([C@H](Sc2ccc(F)cc2)C(=O)[O-])cc1	ZINC000739116654	600935371	/nfs/dbraw/zinc/93/53/71/600935371.db2.gz	BNTMGZUNKTVGDN-AWEZNQCLSA-N	-1	0	287.315	3.615	20	30		CHEDRM
N#Cc1ccccc1SCc1ccc(F)cc1C(=O)[O-]	ZINC000739141867	600935472	/nfs/dbraw/zinc/93/54/72/600935472.db2.gz	BDGKLDULIDLGGE-UHFFFAOYSA-N	-1	0	287.315	3.688	20	30		CHEDRM
N#Cc1cccc(SCc2cccc(C(=O)[O-])c2)c1	ZINC000833075019	601319587	/nfs/dbraw/zinc/31/95/87/601319587.db2.gz	JMKZZGDNRAGAAZ-UHFFFAOYSA-N	-1	0	269.325	3.549	20	30		CHEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cccc3ccccc32)c[nH]1	ZINC000833298522	601791811	/nfs/dbraw/zinc/79/18/11/601791811.db2.gz	YGSXPYPJSOTRME-HJWRWDBZSA-N	-1	0	291.306	3.762	20	30		CHEDRM
C=C(Cl)CSCc1ccc(C(=O)[O-])c(F)c1	ZINC000825647345	601814871	/nfs/dbraw/zinc/81/48/71/601814871.db2.gz	LGUMBMYOZDFAES-UHFFFAOYSA-N	-1	0	260.717	3.510	20	30		CHEDRM
C=CCC(CC=C)C(=O)Oc1ccc(Cl)cc1C(=O)[O-]	ZINC000825665351	602180709	/nfs/dbraw/zinc/18/07/09/602180709.db2.gz	YXPJNXUIJOINMQ-UHFFFAOYSA-N	-1	0	294.734	3.712	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1	ZINC000220148815	604628794	/nfs/dbraw/zinc/62/87/94/604628794.db2.gz	DHCZKDCKDVHKPI-WTKPLQERSA-N	-1	0	286.714	3.934	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1	ZINC000220148889	604628983	/nfs/dbraw/zinc/62/89/83/604628983.db2.gz	DHCZKDCKDVHKPI-RUDMXATFSA-N	-1	0	286.714	3.934	20	30		CHEDRM
CC(C)(C#N)c1ccccc1CNc1ccc(C(=O)[O-])cc1	ZINC000826081394	604641718	/nfs/dbraw/zinc/64/17/18/604641718.db2.gz	RCICLMDTWZMTSE-UHFFFAOYSA-N	-1	0	294.354	3.798	20	30		CHEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cscc2Cl)cc1	ZINC000833310024	604974850	/nfs/dbraw/zinc/97/48/50/604974850.db2.gz	LMIXXZOHRBPEGS-WAYWQWQTSA-N	-1	0	292.743	3.996	20	30		CHEDRM
C=CCCC[C@H](C)OC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833373928	605021912	/nfs/dbraw/zinc/02/19/12/605021912.db2.gz	JNXVAVCETCVMLR-NSHDSACASA-N	-1	0	277.320	3.678	20	30		CHEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccs1	ZINC000833386710	605155949	/nfs/dbraw/zinc/15/59/49/605155949.db2.gz	URJIVMRAJVOIAN-UHFFFAOYSA-N	-1	0	294.763	3.936	20	30		CHEDRM
C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc(C(=O)[O-])c2)o1	ZINC000732761497	605595060	/nfs/dbraw/zinc/59/50/60/605595060.db2.gz	GXCBILAHVZSKQN-HZMBPMFUSA-N	-1	0	284.315	3.547	20	30		CHEDRM
C=C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000301020094	963053224	/nfs/dbraw/zinc/05/32/24/963053224.db2.gz	NIAMEDPOBVVHMA-QMMMGPOBSA-N	-1	0	263.145	3.725	20	30		CHEDRM