smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1ccccc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001347124088	936871254	/nfs/dbraw/zinc/87/12/54/936871254.db2.gz	OFHNVMIZBGFKBN-LLVKDONJSA-N	-1	0	286.331	3.433	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1	ZINC001347533426	936887034	/nfs/dbraw/zinc/88/70/34/936887034.db2.gz	ACFHNTCUCFADIH-UHFFFAOYSA-N	-1	0	286.331	3.021	20	30		CGEDRM
CC(C)(C)O[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC001352899623	937052938	/nfs/dbraw/zinc/05/29/38/937052938.db2.gz	DMYCBSFALNKHQQ-UHFFFAOYSA-N	-1	0	286.375	3.216	20	30		CGEDRM
COc1cc(Nc2cnc(C#N)c(F)c2)ccc1[S-]	ZINC001203061889	931961569	/nfs/dbraw/zinc/96/15/69/931961569.db2.gz	BKYZPNNLNMCKPV-UHFFFAOYSA-N	-1	0	275.308	3.133	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC001228901746	932048079	/nfs/dbraw/zinc/04/80/79/932048079.db2.gz	NUEKLSGCJWIRCR-SGMGOOAPSA-N	-1	0	272.348	3.397	20	30		CGEDRM
CC1=C(Oc2cc([O-])c(Cl)cc2Cl)C(=O)[C@H](C)O1	ZINC001229410607	932147340	/nfs/dbraw/zinc/14/73/40/932147340.db2.gz	KVZBWIMRDAMSGE-YFKPBYRVSA-N	-1	0	289.114	3.297	20	30		CGEDRM
CCCCCCC[C@H](C)Oc1ncc(C(=O)OC)[n-]1	ZINC001230279678	932551596	/nfs/dbraw/zinc/55/15/96/932551596.db2.gz	HJIFBROETYZLTP-NSHDSACASA-N	-1	0	268.357	3.324	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cs1	ZINC001467351056	937717732	/nfs/dbraw/zinc/71/77/32/937717732.db2.gz	GLMMNEYURHOXGA-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
N#CC(=C([O-])c1cc2c(o1)CCCC2)c1ccccn1	ZINC001515341881	938005643	/nfs/dbraw/zinc/00/56/43/938005643.db2.gz	AFXRHSRKCJGEPR-LBPRGKRZSA-N	-1	0	266.300	3.043	20	30		CGEDRM
N#CC(=C([O-])C=CC1CCCC1)c1ncc(F)cc1F	ZINC001520448468	938025833	/nfs/dbraw/zinc/02/58/33/938025833.db2.gz	HXRZHIIMVUIACO-BTDICHCPSA-N	-1	0	276.286	3.282	20	30		CGEDRM
Cc1c(F)c(F)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC001556996725	938207275	/nfs/dbraw/zinc/20/72/75/938207275.db2.gz	NEJREQDVAMGYNO-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C#Cc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1	ZINC001602704738	971337373	/nfs/dbraw/zinc/33/73/73/971337373.db2.gz	QGEKPCTVZLRRQC-UHFFFAOYSA-N	-1	0	279.339	3.297	20	30		CGEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(Cl)c1	ZINC000036969064	957249321	/nfs/dbraw/zinc/24/93/21/957249321.db2.gz	JYVJIPIANPZQGA-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
COc1ccc(/C=C\C(=O)[O-])cc1OCCC(C)(C)C#N	ZINC000213591681	959724043	/nfs/dbraw/zinc/72/40/43/959724043.db2.gz	XFRMOVBRKCKWNA-ALCCZGGFSA-N	-1	0	289.331	3.112	20	30		CGEDRM
C[C@@H](CC(C)(C)C#N)Nc1cccc(CC(=O)[O-])c1	ZINC001589006449	960495258	/nfs/dbraw/zinc/49/52/58/960495258.db2.gz	GJQOMQMSMHXWBN-NSHDSACASA-N	-1	0	260.337	3.054	20	30		CGEDRM
C=CC(C)(C)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1	ZINC001602810310	960548349	/nfs/dbraw/zinc/54/83/49/960548349.db2.gz	XGXRVHKNYAOJQL-UHFFFAOYSA-N	-1	0	274.242	3.175	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001566862862	961032914	/nfs/dbraw/zinc/03/29/14/961032914.db2.gz	BUGHPCPRPOXVLF-UHFFFAOYSA-N	-1	0	298.726	3.495	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC001573467239	962258943	/nfs/dbraw/zinc/25/89/43/962258943.db2.gz	XHYXNUXHDVSTKC-GFCCVEGCSA-N	-1	0	288.347	3.205	20	30		CGEDRM
C=C(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC001573324607	962786777	/nfs/dbraw/zinc/78/67/77/962786777.db2.gz	VSTRITYMRVPYFB-QGZVFWFLSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C	ZINC001573332397	962831281	/nfs/dbraw/zinc/83/12/81/962831281.db2.gz	IQFQKMFQZWKTCW-CHWSQXEVSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C#C[C@@H](CC)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC001588369383	963266480	/nfs/dbraw/zinc/26/64/80/963266480.db2.gz	KDFNXYSAQJESIT-JOYOIKCWSA-N	-1	0	286.158	3.121	20	30		CGEDRM
C#C[C@H](CC)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588369638	963270393	/nfs/dbraw/zinc/27/03/93/963270393.db2.gz	RMCKHGONBVDIKD-GFCCVEGCSA-N	-1	0	296.326	3.071	20	30		CGEDRM
C=CCC1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCC1	ZINC001588458775	963279902	/nfs/dbraw/zinc/27/99/02/963279902.db2.gz	YUYQVBNPGNNZJS-LSDHHAIUSA-N	-1	0	299.370	3.162	20	30		CGEDRM
C=CCC1(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])CCC1	ZINC001588458810	963280322	/nfs/dbraw/zinc/28/03/22/963280322.db2.gz	ZOJPWJHYFLCISV-GFCCVEGCSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)CCc1noc(-c2cc(C)cc(C(=O)[O-])c2)n1	ZINC001588561590	963284511	/nfs/dbraw/zinc/28/45/11/963284511.db2.gz	OQTKLAJSMCIFER-UHFFFAOYSA-N	-1	0	272.304	3.252	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)c(F)c1	ZINC001588621486	963290293	/nfs/dbraw/zinc/29/02/93/963290293.db2.gz	FCGQLYZQEFGZEK-SECBINFHSA-N	-1	0	299.729	3.077	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H]1c1ccc(Cl)cc1	ZINC001588614403	963293760	/nfs/dbraw/zinc/29/37/60/963293760.db2.gz	UDHBIEGOMIFMKL-CYBMUJFWSA-N	-1	0	293.750	3.034	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCc2c(C)cc(C)cc21	ZINC001588615383	963294900	/nfs/dbraw/zinc/29/49/00/963294900.db2.gz	SBFVYTZGIKJCCO-UHFFFAOYSA-N	-1	0	287.359	3.004	20	30		CGEDRM
C=C[C@@](C)(CC)COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588683182	963296110	/nfs/dbraw/zinc/29/61/10/963296110.db2.gz	VNAVYBDQOSEUOF-HUBLWGQQSA-N	-1	0	268.353	3.023	20	30		CGEDRM
C=C[C@](C)(CC)COC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588682265	963300494	/nfs/dbraw/zinc/30/04/94/963300494.db2.gz	KHXWPTKPZODOLB-OAHLLOKOSA-N	-1	0	280.295	3.283	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1	ZINC001588663504	963301473	/nfs/dbraw/zinc/30/14/73/963301473.db2.gz	HYVVUWNMVKHPQP-CYBMUJFWSA-N	-1	0	299.301	3.432	20	30		CGEDRM
C=C[C@@H](Sc1nc2cc(C)ccc2s1)C(=O)[O-]	ZINC001588714497	963305139	/nfs/dbraw/zinc/30/51/39/963305139.db2.gz	HYVNZAJCHDPUHK-SECBINFHSA-N	-1	0	265.359	3.336	20	30		CGEDRM
C=CC[C@H](Nc1cccc(-c2ncco2)c1C)C(=O)[O-]	ZINC001588750504	963308917	/nfs/dbraw/zinc/30/89/17/963308917.db2.gz	FHVLWLLKCZRCJH-ZDUSSCGKSA-N	-1	0	272.304	3.091	20	30		CGEDRM
C=CCC1(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC001588763287	963309597	/nfs/dbraw/zinc/30/95/97/963309597.db2.gz	SBTTVYBLLLZOHT-CQSZACIVSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CC[C@H](Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-]	ZINC001588750816	963312507	/nfs/dbraw/zinc/31/25/07/963312507.db2.gz	GLRHHBFIRMBPIV-NSHDSACASA-N	-1	0	274.320	3.392	20	30		CGEDRM
C=CCC1(C(=O)OCc2ccoc2C(=O)[O-])CCCC1	ZINC001588767354	963313699	/nfs/dbraw/zinc/31/36/99/963313699.db2.gz	XBZPMLIHEPVJJQ-UHFFFAOYSA-N	-1	0	278.304	3.158	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cncc(C(=O)[O-])c1	ZINC001588771084	963313815	/nfs/dbraw/zinc/31/38/15/963313815.db2.gz	NQAVICLVZASTSR-BXUZGUMPSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-]	ZINC001588790444	963314303	/nfs/dbraw/zinc/31/43/03/963314303.db2.gz	WZVWPPJXZJZNRH-UONOGXRCSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CC[C@@H]1CCN1[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001588773039	963315171	/nfs/dbraw/zinc/31/51/71/963315171.db2.gz	VDUXWXPONOSDCF-RNCFNFMXSA-N	-1	0	283.730	3.255	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588782045	963316715	/nfs/dbraw/zinc/31/67/15/963316715.db2.gz	NKSZMVLBGONICH-GFCCVEGCSA-N	-1	0	291.322	3.095	20	30		CGEDRM
C=CCN(Cc1ccoc1C(=O)[O-])Cc1ccccc1F	ZINC001588831563	963320821	/nfs/dbraw/zinc/32/08/21/963320821.db2.gz	AVDVTUYILPPSEX-UHFFFAOYSA-N	-1	0	289.306	3.305	20	30		CGEDRM
C=CCNc1cc(C(=O)[O-])c(Br)cc1C	ZINC001588849524	963327884	/nfs/dbraw/zinc/32/78/84/963327884.db2.gz	WODGTQSOKPUWKY-UHFFFAOYSA-N	-1	0	270.126	3.054	20	30		CGEDRM
C/C(=C\C(=O)[O-])CSc1cccc(C#N)c1Cl	ZINC001588951959	963330455	/nfs/dbraw/zinc/33/04/55/963330455.db2.gz	JKVVIGWNMWUKNE-VMPITWQZSA-N	-1	0	267.737	3.335	20	30		CGEDRM
Cc1ccc(N=NC(C)[C@@H]2CCCCO2)cc1C(=O)[O-]	ZINC001589016514	963345463	/nfs/dbraw/zinc/34/54/63/963345463.db2.gz	SWMGKTSICLVHAY-AWEZNQCLSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C=CCSCCOc1ccc(/C=C/C(=O)[O-])cc1	ZINC000310752739	963430579	/nfs/dbraw/zinc/43/05/79/963430579.db2.gz	IVOVTYYTTIHHJH-VMPITWQZSA-N	-1	0	264.346	3.082	20	30		CGEDRM
CC[C@@H](C)c1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC001589463937	963989383	/nfs/dbraw/zinc/98/93/83/963989383.db2.gz	KODPEDJXFKQWBA-BZNIZROVSA-N	-1	0	288.347	3.143	20	30		CGEDRM
C#CCCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588446482	964073775	/nfs/dbraw/zinc/07/37/75/964073775.db2.gz	NEWRRCNFCIMTKN-UHFFFAOYSA-N	-1	0	296.326	3.073	20	30		CGEDRM
CCCCCCCCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000228052724	967710140	/nfs/dbraw/zinc/71/01/40/967710140.db2.gz	CGZFMMSDGJZGDW-UHFFFAOYSA-N	-1	0	291.391	3.404	20	30		CGEDRM
Cc1cc(Nc2ccc(Cl)c(C#N)n2)ccc1C(=O)[O-]	ZINC001605213581	972959091	/nfs/dbraw/zinc/95/90/91/972959091.db2.gz	WCOHJBBBJDYHFB-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1ccc2cc(OC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2c1	ZINC001605314567	973140982	/nfs/dbraw/zinc/14/09/82/973140982.db2.gz	VOHINWITTAQCMC-QGZVFWFLSA-N	-1	0	297.310	3.058	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C\c2csc(C(=O)[O-])c2)cn1	ZINC001592122589	976935571	/nfs/dbraw/zinc/93/55/71/976935571.db2.gz	RDEWUQARSPVDLT-ARJAWSKDSA-N	-1	0	290.344	3.120	20	30		CGEDRM
CC(CC(C)(C)CC(=O)[O-])=NNC1CCCCC1	ZINC001592444168	978101119	/nfs/dbraw/zinc/10/11/19/978101119.db2.gz	KQNKKHBKRQNFLU-UHFFFAOYSA-N	-1	0	254.374	3.176	20	30		CGEDRM
CCC(CC)(C/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001595063478	979323329	/nfs/dbraw/zinc/32/33/29/979323329.db2.gz	XZADINZSGPPCBJ-LZYBPNLTSA-N	-1	0	283.755	3.356	20	30		CGEDRM
C=CCC[C@@H](C)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000901711119	980460863	/nfs/dbraw/zinc/46/08/63/980460863.db2.gz	NPXBHRLQGUELKE-SNVBAGLBSA-N	-1	0	279.336	3.169	20	30		CGEDRM
CC[C@H](c1ccc(Cl)cc1)N(CC#N)CCC(=O)[O-]	ZINC001595360517	980752390	/nfs/dbraw/zinc/75/23/90/980752390.db2.gz	XQLUTLHYOWZXRY-CYBMUJFWSA-N	-1	0	280.755	3.091	20	30		CGEDRM
CCCCCC[C@H](C)NN=Cc1ccc(C(=O)[O-])n1C	ZINC001595697244	982239702	/nfs/dbraw/zinc/23/97/02/982239702.db2.gz	IXVYZZHHLCLKRP-LBPRGKRZSA-N	-1	0	279.384	3.006	20	30		CGEDRM
CCCCCCCCC(=O)Nc1cc(C(=O)[O-])no1	ZINC001595705011	982282008	/nfs/dbraw/zinc/28/20/08/982282008.db2.gz	NPIKDPMZGLOPSC-UHFFFAOYSA-N	-1	0	268.313	3.062	20	30		CGEDRM
CC[C@H](C)C[C@H](Nc1ncc(Cl)c(C)c1C#N)C(=O)[O-]	ZINC001594952419	982669253	/nfs/dbraw/zinc/66/92/53/982669253.db2.gz	IJQYULSIUADWQO-UFBFGSQYSA-N	-1	0	295.770	3.216	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2ccc(C)c(C(=O)[O-])c2)C1(C)C	ZINC001596805205	985333115	/nfs/dbraw/zinc/33/31/15/985333115.db2.gz	UYYICMYHKRLUPF-AWEZNQCLSA-N	-1	0	290.363	3.296	20	30		CGEDRM
CCOc1cccc(/C=N\[C@@H](CC(C)(C)C)C(=O)[O-])c1O	ZINC001597149932	986922926	/nfs/dbraw/zinc/92/29/26/986922926.db2.gz	MWVBZIRMPYGCKT-NJPLLEPOSA-N	-1	0	293.363	3.099	20	30		CGEDRM
CCC(=O)c1cccc(C#N)c1OCc1cc(C(=O)[O-])co1	ZINC001594722496	987213387	/nfs/dbraw/zinc/21/33/87/987213387.db2.gz	QBICCICESJSMJH-UHFFFAOYSA-N	-1	0	299.282	3.021	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001594722613	987214805	/nfs/dbraw/zinc/21/48/05/987214805.db2.gz	QZONSKJGTYXKCO-UHFFFAOYSA-N	-1	0	299.330	3.135	20	30		CGEDRM
CSCCCN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001599798015	988129226	/nfs/dbraw/zinc/12/92/26/988129226.db2.gz	VKYYVYCATBSGDL-UHFFFAOYSA-N	-1	0	272.757	3.189	20	30		CGEDRM
CC(C)(C)SCCON=Cc1ccc(C(=O)[O-])cc1	ZINC001590429629	989985118	/nfs/dbraw/zinc/98/51/18/989985118.db2.gz	DFXCUWKHPFAOJM-UHFFFAOYSA-N	-1	0	281.377	3.267	20	30		CGEDRM
CC(C)C(N=Nc1ccc(F)c(C(=O)[O-])c1)C1CC1	ZINC001590928123	990939685	/nfs/dbraw/zinc/93/96/85/990939685.db2.gz	SOJKAKNQOKTIMQ-UHFFFAOYSA-N	-1	0	264.300	3.358	20	30		CGEDRM
COc1cccc([C@H](Sc2cccc(C#N)c2)C(=O)[O-])c1	ZINC001599662411	994676256	/nfs/dbraw/zinc/67/62/56/994676256.db2.gz	ZUEHJXNVQDZBGO-HNNXBMFYSA-N	-1	0	299.351	3.485	20	30		CGEDRM
COc1cc(C#N)ccc1CNc1cccc(C(=O)[O-])c1C	ZINC001599347394	998032868	/nfs/dbraw/zinc/03/28/68/998032868.db2.gz	FSZJWZDBDXJRET-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
Cc1ccccc1C(C)(C)NC(=O)c1cc(O)cc(C#N)c1	ZINC000590507661	346848817	/nfs/dbraw/zinc/84/88/17/346848817.db2.gz	GTYOTQKWHXZEGD-UHFFFAOYSA-N	-1	0	294.354	3.237	20	30		CGEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC000052856394	345108741	/nfs/dbraw/zinc/10/87/41/345108741.db2.gz	QOXIKQTVYWWAFJ-LLVKDONJSA-N	-1	0	292.766	3.293	20	30		CGEDRM
C=C1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1	ZINC000382477404	346560197	/nfs/dbraw/zinc/56/01/97/346560197.db2.gz	JZNIBACXDXLGCP-UHFFFAOYSA-N	-1	0	265.740	3.190	20	30		CGEDRM
CC(C)(C)c1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000593945936	347121833	/nfs/dbraw/zinc/12/18/33/347121833.db2.gz	VLUNIJJAZMDUHL-UHFFFAOYSA-N	-1	0	298.390	3.202	20	30		CGEDRM
CC(C)(C)[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)CCO1	ZINC000596178563	347394748	/nfs/dbraw/zinc/39/47/48/347394748.db2.gz	KWBZONYLJGCDPU-WCBMZHEXSA-N	-1	0	299.827	3.096	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(C3CCCCCC3)[n-]2)c1	ZINC000601937953	347926529	/nfs/dbraw/zinc/92/65/29/347926529.db2.gz	DBQZNUAXMVQQRC-UHFFFAOYSA-N	-1	0	281.359	3.217	20	30		CGEDRM
Cc1[n-]n(-c2cccc(Cl)c2F)c(=O)c1CCC#N	ZINC000601935173	347925818	/nfs/dbraw/zinc/92/58/18/347925818.db2.gz	QLIJTSLZIZMFNT-SECBINFHSA-N	-1	0	279.702	3.122	20	30		CGEDRM
CC(C)[C@@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601932853	347925941	/nfs/dbraw/zinc/92/59/41/347925941.db2.gz	UQQUJMQAZHODOZ-UKRRQHHQSA-N	-1	0	281.359	3.333	20	30		CGEDRM
C[C@@H](N=c1[n-]nc(C(F)(F)F)s1)c1cccc(C#N)c1	ZINC000614135622	348651953	/nfs/dbraw/zinc/65/19/53/348651953.db2.gz	ISCTXKJZPBYDCL-SSDOTTSWSA-N	-1	0	298.293	3.024	20	30		CGEDRM
CC(C)c1n[n-]c(=NCc2ccc(C#N)c(Cl)c2)s1	ZINC000619747194	349280830	/nfs/dbraw/zinc/28/08/30/349280830.db2.gz	JWSZODAACXOKBV-UHFFFAOYSA-N	-1	0	292.795	3.221	20	30		CGEDRM
CCc1nocc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000626467186	350309964	/nfs/dbraw/zinc/30/99/64/350309964.db2.gz	HJUATKSOOVFXBC-VIFPVBQESA-N	-1	0	287.344	3.061	20	30		CGEDRM
C=CCC1(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCCC1	ZINC000630291305	350821315	/nfs/dbraw/zinc/82/13/15/350821315.db2.gz	AFLCKRPHENPGOQ-KBPBESRZSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000630314957	350823451	/nfs/dbraw/zinc/82/34/51/350823451.db2.gz	XCGWZHNWTABMJY-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccccc1	ZINC000178763979	189144254	/nfs/dbraw/zinc/14/42/54/189144254.db2.gz	UCCOTCOMJULHBY-CQSZACIVSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)co1	ZINC000122861785	370907531	/nfs/dbraw/zinc/90/75/31/370907531.db2.gz	AGBPBKPAMFBNNW-SECBINFHSA-N	-1	0	297.339	3.337	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1	ZINC000041497230	369188281	/nfs/dbraw/zinc/18/82/81/369188281.db2.gz	SHAOHEKXRKASJR-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041542925	369191229	/nfs/dbraw/zinc/19/12/29/369191229.db2.gz	AJQFIHVZEBNZNB-JTQLQIEISA-N	-1	0	299.717	3.310	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1	ZINC000046928710	369300664	/nfs/dbraw/zinc/30/06/64/369300664.db2.gz	QSDJAYMRELNMMD-UHFFFAOYSA-N	-1	0	293.797	3.237	20	30		CGEDRM
Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)C(C)C	ZINC000049417602	369401390	/nfs/dbraw/zinc/40/13/90/369401390.db2.gz	IIAZMXLTKMFITQ-UHFFFAOYSA-N	-1	0	295.360	3.092	20	30		CGEDRM
CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)n[nH]1	ZINC000054735530	369506569	/nfs/dbraw/zinc/50/65/69/369506569.db2.gz	HFAIJBGQVOTJBH-SNVBAGLBSA-N	-1	0	294.314	3.164	20	30		CGEDRM
Oc1ccccc1/C=N/[C@H]1CCOC2(CCCC2)C1	ZINC000128487914	370964218	/nfs/dbraw/zinc/96/42/18/370964218.db2.gz	ILLNFMGTXNTYSN-IQGJIOQQSA-N	-1	0	259.349	3.303	20	30		CGEDRM
CC(C)C1CCC(NC(=O)c2csc(=O)[nH]2)CC1	ZINC000329957280	374444963	/nfs/dbraw/zinc/44/49/63/374444963.db2.gz	QBYGAXPMIVSYMM-UHFFFAOYSA-N	-1	0	268.382	3.368	20	30		CGEDRM
C=CCC(CC=C)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000467830902	374977278	/nfs/dbraw/zinc/97/72/78/374977278.db2.gz	PEGXJXWTSGLLRT-UHFFFAOYSA-N	-1	0	299.399	3.334	20	30		CGEDRM
CSCc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188856490	375281142	/nfs/dbraw/zinc/28/11/42/375281142.db2.gz	DJUIETNBADCRNH-UHFFFAOYSA-N	-1	0	298.367	3.379	20	30		CGEDRM
CCCCCN(C(=O)c1ccc(C#N)c(O)c1)C(C)C	ZINC000190866391	375544544	/nfs/dbraw/zinc/54/45/44/375544544.db2.gz	LGTQCAPFDRVXEJ-UHFFFAOYSA-N	-1	0	274.364	3.305	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1n[nH]c(-c2ccccc2F)n1	ZINC000190966279	375554889	/nfs/dbraw/zinc/55/48/89/375554889.db2.gz	SNLHRERELPWVIY-OAHLLOKOSA-N	-1	0	288.326	3.152	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N(CCC)[C@H](CC)C(=O)[O-]	ZINC000514772801	375807381	/nfs/dbraw/zinc/80/73/81/375807381.db2.gz	KWRBYEKSBQZFBV-CHWSQXEVSA-N	-1	0	284.400	3.016	20	30		CGEDRM
CCc1cc(O)ccc1NC(=O)c1cscc1C#N	ZINC000336567115	375836969	/nfs/dbraw/zinc/83/69/69/375836969.db2.gz	MKKCSDSWVQIOPG-UHFFFAOYSA-N	-1	0	272.329	3.140	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000263236004	190067256	/nfs/dbraw/zinc/06/72/56/190067256.db2.gz	CVXYLTANZNLPEW-IHRRRGAJSA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1sc(/C=C\c2ccc(C#N)cc2)nc1C(=O)[O-]	ZINC000339114702	376688119	/nfs/dbraw/zinc/68/81/19/376688119.db2.gz	UGFNZFNFLDLJRW-SREVYHEPSA-N	-1	0	270.313	3.192	20	30		CGEDRM
Cc1ccc(NCc2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000340677094	377208531	/nfs/dbraw/zinc/20/85/31/377208531.db2.gz	KHTJKNHQQYBEAD-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000562370449	377303948	/nfs/dbraw/zinc/30/39/48/377303948.db2.gz	HPESQKVQMSCDDP-GFCCVEGCSA-N	-1	0	298.346	3.003	20	30		CGEDRM
CC(=CC=Cc1ccccc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000574954578	377729228	/nfs/dbraw/zinc/72/92/28/377729228.db2.gz	KTXSOEIJYUJAEX-XDPIJNQUSA-N	-1	0	277.327	3.479	20	30		CGEDRM
N#Cc1cc(-c2nc(C(=O)[O-])c(C3CC3)s2)cs1	ZINC000565236482	322068526	/nfs/dbraw/zinc/06/85/26/322068526.db2.gz	NOEQVQAFISJSJA-UHFFFAOYSA-N	-1	0	276.342	3.319	20	30		CGEDRM
Oc1ccc(C=NNc2ccc(F)cn2)cc1Cl	ZINC000731318101	572406570	/nfs/dbraw/zinc/40/65/70/572406570.db2.gz	IOIFXHZYJZGUNQ-UHFFFAOYSA-N	-1	0	265.675	3.026	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274520306	378846105	/nfs/dbraw/zinc/84/61/05/378846105.db2.gz	BDMFAQMVIGWVEW-UHFFFAOYSA-N	-1	0	269.703	3.173	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1nc2ccccc2s1	ZINC000348559023	378993315	/nfs/dbraw/zinc/99/33/15/378993315.db2.gz	XYAHBTVJVSYCOD-MRVPVSSYSA-N	-1	0	285.353	3.243	20	30		CGEDRM
COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1C	ZINC000357563575	381211980	/nfs/dbraw/zinc/21/19/80/381211980.db2.gz	DIRYIBNDYJVEHZ-UTCJRWHESA-N	-1	0	294.310	3.139	20	30		CGEDRM
N#Cc1ccnc(/C=C/c2ccc([O-])c(Cl)c2)c1	ZINC000334820164	207132703	/nfs/dbraw/zinc/13/27/03/207132703.db2.gz	BBZNVWQHWFHLAT-HNQUOIGGSA-N	-1	0	256.692	3.483	20	30		CGEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2ccccc2C1	ZINC000328585632	392675510	/nfs/dbraw/zinc/67/55/10/392675510.db2.gz	JASOOFNNUUDRBB-ZNMIVQPWSA-N	-1	0	287.359	3.001	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000192883854	392864928	/nfs/dbraw/zinc/86/49/28/392864928.db2.gz	DZGZADHUZOTKQJ-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
CSCc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000526947288	392955984	/nfs/dbraw/zinc/95/59/84/392955984.db2.gz	QPVJATNHRDVZSX-UHFFFAOYSA-N	-1	0	298.367	3.379	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(C#N)CCCC1	ZINC000262555597	393147095	/nfs/dbraw/zinc/14/70/95/393147095.db2.gz	UXNNHIRDIAYREY-UHFFFAOYSA-N	-1	0	286.331	3.024	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000669433999	543105190	/nfs/dbraw/zinc/10/51/90/543105190.db2.gz	DGFWFZMAIHENIY-OCCSQVGLSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000678975504	543579013	/nfs/dbraw/zinc/57/90/13/543579013.db2.gz	IJAXRZHMJQASIS-UHFFFAOYSA-N	-1	0	273.332	3.400	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2nccs2)n1	ZINC000683690165	543932040	/nfs/dbraw/zinc/93/20/40/543932040.db2.gz	WZROIRDHYOLDTL-QMMMGPOBSA-N	-1	0	277.374	3.213	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccc(C#N)n2)n1	ZINC000685788493	544096677	/nfs/dbraw/zinc/09/66/77/544096677.db2.gz	JOKIZQSVVSQFRQ-LLVKDONJSA-N	-1	0	296.355	3.023	20	30		CGEDRM
C=CCCC1(CNC(=O)C[C@H](C)CC(=O)[O-])CCCC1	ZINC000659166855	418963088	/nfs/dbraw/zinc/96/30/88/418963088.db2.gz	LEUCRHSRKQNCFU-ZDUSSCGKSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1	ZINC000076765998	260166556	/nfs/dbraw/zinc/16/65/56/260166556.db2.gz	VCYUHUHGAPYZGO-JSGCOSHPSA-N	-1	0	295.404	3.299	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C2C(C)(C)C2(C)C)c1	ZINC000080251219	260178677	/nfs/dbraw/zinc/17/86/77/260178677.db2.gz	VYSIIRPRNICYLQ-UHFFFAOYSA-N	-1	0	295.404	3.322	20	30		CGEDRM
Cc1cccc(CCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000285253599	263091585	/nfs/dbraw/zinc/09/15/85/263091585.db2.gz	GYXYPKBFMXQNBV-GZTJUZNOSA-N	-1	0	299.330	3.056	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc3ccncc32)cc1[O-]	ZINC000525951707	268206509	/nfs/dbraw/zinc/20/65/09/268206509.db2.gz	VKFJCNJTAIPKQU-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CC(C)=CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000288764714	328253662	/nfs/dbraw/zinc/25/36/62/328253662.db2.gz	ZGQHHQZNBWGGQL-UHFFFAOYSA-N	-1	0	261.369	3.309	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000263026392	330039262	/nfs/dbraw/zinc/03/92/62/330039262.db2.gz	MMOKYMUDJIHNPY-HIFRSBDPSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000263539367	330059204	/nfs/dbraw/zinc/05/92/04/330059204.db2.gz	QDFPESOGYCDQNF-CYBMUJFWSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=CCC[C@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000263557632	330059728	/nfs/dbraw/zinc/05/97/28/330059728.db2.gz	ZQMKLLPEFYQELS-ZFWWWQNUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCn1cccc1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000488908359	332033345	/nfs/dbraw/zinc/03/33/45/332033345.db2.gz	KNWNMFXJQGEMDX-UHFFFAOYSA-N	-1	0	294.713	3.425	20	30		CGEDRM
C=CCN=c1[n-]nc(SCCc2ccc(C)cc2)s1	ZINC000565446314	334564318	/nfs/dbraw/zinc/56/43/18/334564318.db2.gz	ISEHDTVERSKNGZ-UHFFFAOYSA-N	-1	0	291.445	3.201	20	30		CGEDRM
CN(CCC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000153182724	334566150	/nfs/dbraw/zinc/56/61/50/334566150.db2.gz	CTILJLJUYKTKLX-UHFFFAOYSA-N	-1	0	288.734	3.184	20	30		CGEDRM
CC(=Cc1ccc(Cl)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193611392	335978388	/nfs/dbraw/zinc/97/83/88/335978388.db2.gz	GCIYMGVCBYQUOV-CLFYSBASSA-N	-1	0	285.734	3.164	20	30		CGEDRM
Cc1ccc2oc(C([O-])=C(C#N)c3ccncn3)cc2c1	ZINC000354468046	534534920	/nfs/dbraw/zinc/53/49/20/534534920.db2.gz	OYGJRTZHNVZGCZ-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354482397	526769614	/nfs/dbraw/zinc/76/96/14/526769614.db2.gz	ZUQHYCGIYMPXQG-JTQLQIEISA-N	-1	0	285.372	3.326	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc([O-])c(Cl)c1	ZINC000336615829	527604004	/nfs/dbraw/zinc/60/40/04/527604004.db2.gz	AUYCGZVJDPDENM-NSHDSACASA-N	-1	0	265.740	3.226	20	30		CGEDRM
CC(=NNc1cccc(C#N)c1)c1ccc(F)cc1[O-]	ZINC000727778098	571769038	/nfs/dbraw/zinc/76/90/38/571769038.db2.gz	YGIKKQXMCAPMGL-UHFFFAOYSA-N	-1	0	269.279	3.239	20	30		CGEDRM
Cc1c(NN=Cc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-]	ZINC000727973015	571782060	/nfs/dbraw/zinc/78/20/60/571782060.db2.gz	PJBWHDLJXXUXLP-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(O)cc1F	ZINC000729932114	571936955	/nfs/dbraw/zinc/93/69/55/571936955.db2.gz	CQOKCIBMKVKMES-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cccc(F)c2)cs1	ZINC000730148376	571951583	/nfs/dbraw/zinc/95/15/83/571951583.db2.gz	FTCZYSWYVJECOF-SNAWJCMRSA-N	-1	0	276.288	3.482	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc(O)cc2)cs1	ZINC000730149128	571951949	/nfs/dbraw/zinc/95/19/49/571951949.db2.gz	BYOZRFLYOROGQV-ZZXKWVIFSA-N	-1	0	274.297	3.048	20	30		CGEDRM
COc1cccc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738111267	572364180	/nfs/dbraw/zinc/36/41/80/572364180.db2.gz	BTKLWEFYCWLUAQ-HNNXBMFYSA-N	-1	0	299.351	3.485	20	30		CGEDRM
N#Cc1ccc(COc2ccc(NC(=O)[O-])cc2)cc1	ZINC000738431930	572375313	/nfs/dbraw/zinc/37/53/13/572375313.db2.gz	CGGVEQSQOFKOJA-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
C=CCNC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953087	572385645	/nfs/dbraw/zinc/38/56/45/572385645.db2.gz	MRRQTRUNHNQJPH-UHFFFAOYSA-N	-1	0	277.418	3.165	20	30		CGEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@@H]2c2ccco2)cc1	ZINC000739104437	572401976	/nfs/dbraw/zinc/40/19/76/572401976.db2.gz	GHGGSIOBHCJBPS-ZBFHGGJFSA-N	-1	0	296.326	3.114	20	30		CGEDRM
N#Cc1ccc(CNc2cccc(F)c2C(=O)[O-])c(F)c1	ZINC000739118055	572402932	/nfs/dbraw/zinc/40/29/32/572402932.db2.gz	LTKOFABPPDVUIY-UHFFFAOYSA-N	-1	0	288.253	3.147	20	30		CGEDRM
O=C([O-])N1CCC[C@H](/N=C\c2c(O)ccc3ccccc32)C1	ZINC000739924165	572427181	/nfs/dbraw/zinc/42/71/81/572427181.db2.gz	CMNNEBQQRKOMHR-VQIMKDEXSA-N	-1	0	298.342	3.107	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccc(OC(F)F)cc2)o1	ZINC000740122441	572433332	/nfs/dbraw/zinc/43/33/32/572433332.db2.gz	DVISLNWJQCHFCO-UHFFFAOYSA-N	-1	0	296.229	3.025	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1sc(C)nc1C	ZINC000726737027	572594643	/nfs/dbraw/zinc/59/46/43/572594643.db2.gz	FDBDOZMKKOUQIJ-UHFFFAOYSA-N	-1	0	289.360	3.294	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2s1	ZINC000744016705	572696880	/nfs/dbraw/zinc/69/68/80/572696880.db2.gz	RUEGPKSBPHNEAD-AEZGRPFRSA-N	-1	0	268.341	3.439	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2ccccc2NC(=O)[O-])c1	ZINC000736091108	572768202	/nfs/dbraw/zinc/76/82/02/572768202.db2.gz	OUWOABHMEGYLAK-UHFFFAOYSA-N	-1	0	294.310	3.034	20	30		CGEDRM
C=CCCCSCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000736102465	572768302	/nfs/dbraw/zinc/76/83/02/572768302.db2.gz	IZCPIUKNLLTVFK-UHFFFAOYSA-N	-1	0	293.388	3.331	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CCc3ccccc32)c1	ZINC000748410790	572975810	/nfs/dbraw/zinc/97/58/10/572975810.db2.gz	QLIRMPMHBMPEIV-AWEZNQCLSA-N	-1	0	292.338	3.322	20	30		CGEDRM
CC(=NNCc1cccc(C)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749625814	573025700	/nfs/dbraw/zinc/02/57/00/573025700.db2.gz	HACOYSBHHCNAPE-UHFFFAOYSA-N	-1	0	299.330	3.123	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2cccc(F)c2F)cc1F	ZINC000749859757	573049432	/nfs/dbraw/zinc/04/94/32/573049432.db2.gz	TXHUIKMAZCFRED-UHFFFAOYSA-N	-1	0	284.212	3.395	20	30		CGEDRM
CCCSCC(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000901249330	620846548	/nfs/dbraw/zinc/84/65/48/620846548.db2.gz	XAGBROWZYWYGTK-UHFFFAOYSA-N	-1	0	284.356	3.455	20	30		CGEDRM
CCCCCCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000106537638	600021547	/nfs/dbraw/zinc/02/15/47/600021547.db2.gz	FTBLAUNHUFUWCI-AWEZNQCLSA-N	-1	0	283.412	3.450	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)o1	ZINC000210037774	600316563	/nfs/dbraw/zinc/31/65/63/600316563.db2.gz	BANYTUALJGETKK-YVMONPNESA-N	-1	0	256.257	3.182	20	30		CGEDRM
C=CCCCOc1ccc(C(=O)[O-])cc1Br	ZINC000169259487	600378684	/nfs/dbraw/zinc/37/86/84/600378684.db2.gz	UYRDEGNNLZPRAR-UHFFFAOYSA-N	-1	0	285.137	3.492	20	30		CGEDRM
C=CCCCOc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000071275869	600378786	/nfs/dbraw/zinc/37/87/86/600378786.db2.gz	WYSPMNQUBDWWNI-VQHVLOKHSA-N	-1	0	262.305	3.138	20	30		CGEDRM
COc1ccc([C@H](CC(=O)[O-])/N=C/c2ccccc2O)cc1	ZINC000737947295	600494242	/nfs/dbraw/zinc/49/42/42/600494242.db2.gz	HPBCWLKDJYEQGH-LZNAANCOSA-N	-1	0	299.326	3.036	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CNc1cccc(C#N)c1	ZINC000830379395	601389489	/nfs/dbraw/zinc/38/94/89/601389489.db2.gz	UUIXHZMKPSVINU-UHFFFAOYSA-N	-1	0	270.288	3.024	20	30		CGEDRM
C=CCCCC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000825664941	601452368	/nfs/dbraw/zinc/45/23/68/601452368.db2.gz	QUOFWPODULIKKG-HUUCEWRRSA-N	-1	0	293.407	3.225	20	30		CGEDRM
O=C(/C=C\c1ccnn1C1CCC1)c1ccc([O-])c(F)c1	ZINC000899353662	620649031	/nfs/dbraw/zinc/64/90/31/620649031.db2.gz	VOUGDFNEQDDQFD-ALCCZGGFSA-N	-1	0	286.306	3.349	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(C2CC2)n1	ZINC000899353673	620650198	/nfs/dbraw/zinc/65/01/98/620650198.db2.gz	VVGXNPQSRGKUQX-WAYWQWQTSA-N	-1	0	286.306	3.038	20	30		CGEDRM
CC(C)(C#N)CCCNc1ccc(F)c(C(=O)[O-])c1	ZINC000826070875	601905159	/nfs/dbraw/zinc/90/51/59/601905159.db2.gz	FYAZVBHEUXLLOD-UHFFFAOYSA-N	-1	0	264.300	3.266	20	30		CGEDRM
CC(C)(C#N)CCCOc1ccccc1NC(=O)[O-]	ZINC000826072077	601932319	/nfs/dbraw/zinc/93/23/19/601932319.db2.gz	SFPSBDZVTRYCCY-UHFFFAOYSA-N	-1	0	262.309	3.485	20	30		CGEDRM
CCC(CC)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000828859227	602343873	/nfs/dbraw/zinc/34/38/73/602343873.db2.gz	UWSHWWXIGNOHKT-HNNXBMFYSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(NCc2cccc(C#N)c2)cc1	ZINC000825448063	603178622	/nfs/dbraw/zinc/17/86/22/603178622.db2.gz	ASCXMVSTNHDIAM-LBPRGKRZSA-N	-1	0	295.342	3.499	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823490590	603387271	/nfs/dbraw/zinc/38/72/71/603387271.db2.gz	GYTOGXPUGLYRHX-GHMZBOCLSA-N	-1	0	291.351	3.101	20	30		CGEDRM
C=CCC(CC=C)c1nc(C2(NC(=O)[O-])CCCC2)no1	ZINC000823490813	604028257	/nfs/dbraw/zinc/02/82/57/604028257.db2.gz	LQQHYWVNPJTHCL-UHFFFAOYSA-N	-1	0	291.351	3.342	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1cccc(NC(=O)[O-])c1	ZINC000823490943	604069227	/nfs/dbraw/zinc/06/92/27/604069227.db2.gz	OIKVDBNMZVRKEZ-UHFFFAOYSA-N	-1	0	275.304	3.450	20	30		CGEDRM
C[C@H](Oc1ccc(/C=C\C(=O)c2ccco2)cc1)C(=O)[O-]	ZINC000794702078	604396416	/nfs/dbraw/zinc/39/64/16/604396416.db2.gz	MNYPTZUZRCXNKX-WDDYJBPVSA-N	-1	0	286.283	3.028	20	30		CGEDRM
C[C@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000768366183	604536675	/nfs/dbraw/zinc/53/66/75/604536675.db2.gz	CNSQPIJBXHZVEL-WDEREUQCSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@H](c1ccccc1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833550062	604602358	/nfs/dbraw/zinc/60/23/58/604602358.db2.gz	UTTYSIWZUJEFFY-CYBMUJFWSA-N	-1	0	294.354	3.449	20	30		CGEDRM
C/C=C(/C=C\C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)CC	ZINC000828543381	604619915	/nfs/dbraw/zinc/61/99/15/604619915.db2.gz	SUTWYNDHTIKNQN-PXSZAFSGSA-N	-1	0	299.326	3.140	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832601196	604626968	/nfs/dbraw/zinc/62/69/68/604626968.db2.gz	GJNVNFXKBNNMCA-KHPPLWFESA-N	-1	0	282.295	3.290	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CC(C)(C)C1	ZINC000763377457	604667682	/nfs/dbraw/zinc/66/76/82/604667682.db2.gz	OYZPFHUCRSLSSY-SNVBAGLBSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCC2	ZINC000763368520	604668545	/nfs/dbraw/zinc/66/85/45/604668545.db2.gz	NRBVRRIDBHLCKC-UHFFFAOYSA-N	-1	0	295.342	3.105	20	30		CGEDRM
C=CCCC(=O)CSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000833373301	605001896	/nfs/dbraw/zinc/00/18/96/605001896.db2.gz	KORLSCZPRARCGE-UHFFFAOYSA-N	-1	0	291.328	3.153	20	30		CGEDRM
CC1=CCC[C@@H](C)[C@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000773206048	605004691	/nfs/dbraw/zinc/00/46/91/605004691.db2.gz	CNLGLNGQQXZEAH-YPMHNXCESA-N	-1	0	273.336	3.170	20	30		CGEDRM
C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C#N)cc1	ZINC000833530803	605068452	/nfs/dbraw/zinc/06/84/52/605068452.db2.gz	UCVYSFSPEAYRFB-LLVKDONJSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(C)cc1C(=O)[O-])C(C)C	ZINC000162346134	605135506	/nfs/dbraw/zinc/13/55/06/605135506.db2.gz	YWBQOQBXGKXQRG-UHFFFAOYSA-N	-1	0	276.336	3.122	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCCOC1	ZINC000833386452	605156059	/nfs/dbraw/zinc/15/60/59/605156059.db2.gz	GLGVOCBEMDOOBB-JTQLQIEISA-N	-1	0	296.754	3.253	20	30		CGEDRM
C[C@@H]1C[C@@H]1CN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605824	605157115	/nfs/dbraw/zinc/15/71/15/605157115.db2.gz	TUPNGXGMHYJKRY-HTQZYQBOSA-N	-1	0	252.701	3.092	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833373852	605275563	/nfs/dbraw/zinc/27/55/63/605275563.db2.gz	GKJZOUUTFUMSBM-NSHDSACASA-N	-1	0	276.336	3.251	20	30		CGEDRM
N#Cc1ccc(CNc2cccc(CNC(=O)[O-])c2)c(F)c1	ZINC000831126432	605516009	/nfs/dbraw/zinc/51/60/09/605516009.db2.gz	DRDWVUCNGAHTBK-UHFFFAOYSA-N	-1	0	299.305	3.077	20	30		CGEDRM
Cc1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1F	ZINC000833753585	605588943	/nfs/dbraw/zinc/58/89/43/605588943.db2.gz	SCKAITSSLBCKPR-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C)o1	ZINC000833386869	605593576	/nfs/dbraw/zinc/59/35/76/605593576.db2.gz	AAPTVZYFZUWXFU-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
C#CCCCCCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC000833362012	605673153	/nfs/dbraw/zinc/67/31/53/605673153.db2.gz	VRGJGKVLMVWILJ-NSHDSACASA-N	-1	0	278.304	3.166	20	30		CGEDRM
C#CCCCCCC(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000833362035	605673340	/nfs/dbraw/zinc/67/33/40/605673340.db2.gz	WJSLGXFKGPBDSZ-UHFFFAOYSA-N	-1	0	274.316	3.012	20	30		CGEDRM
C#CCCCCCC(=O)OC1CCC(CC(=O)[O-])CC1	ZINC000833362055	605704533	/nfs/dbraw/zinc/70/45/33/605704533.db2.gz	XEWFQCVDPTWQCC-UHFFFAOYSA-N	-1	0	280.364	3.147	20	30		CGEDRM
N#Cc1ccc(Sc2ccc(NC(=O)[O-])cc2)nc1	ZINC000833977624	606100091	/nfs/dbraw/zinc/10/00/91/606100091.db2.gz	VLKQTMGHCJYLKM-UHFFFAOYSA-N	-1	0	271.301	3.194	20	30		CGEDRM
Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049501579	617611117	/nfs/dbraw/zinc/61/11/17/617611117.db2.gz	GATMIVQQRLPWQV-UHFFFAOYSA-N	-1	0	297.420	3.403	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C)c(C)s1	ZINC000049501812	617611242	/nfs/dbraw/zinc/61/12/42/617611242.db2.gz	ULXSWYJEEAOIPY-UHFFFAOYSA-N	-1	0	275.395	3.056	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C2\COc3ccc(F)cc32)c1	ZINC000806558742	617718688	/nfs/dbraw/zinc/71/86/88/617718688.db2.gz	KICBSIQACXJTCE-KPKJPENVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
C=C[C@@H](C)ON=C(C)c1ccc(Br)cc1O	ZINC000844621278	617957690	/nfs/dbraw/zinc/95/76/90/617957690.db2.gz	FSYPXNQANRSNAW-MRVPVSSYSA-N	-1	0	284.153	3.470	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2cc(F)ccc2[O-])c1	ZINC000255129714	617966126	/nfs/dbraw/zinc/96/61/26/617966126.db2.gz	GYZSWERFDMVIGW-RQOWECAXSA-N	-1	0	273.288	3.361	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000255204305	618074576	/nfs/dbraw/zinc/07/45/76/618074576.db2.gz	ZEOSBSCZJAESQY-YVMONPNESA-N	-1	0	267.259	3.299	20	30		CGEDRM
CCC=C(C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077880489	618218280	/nfs/dbraw/zinc/21/82/80/618218280.db2.gz	UCZQJVIMXOEOGP-KGTBHZDVSA-N	-1	0	281.377	3.390	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1	ZINC000255412953	618397475	/nfs/dbraw/zinc/39/74/75/618397475.db2.gz	WVKUPOIJIHFXRZ-YVMONPNESA-N	-1	0	267.259	3.299	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCC2=CCCC2)c1	ZINC000255510457	618637268	/nfs/dbraw/zinc/63/72/68/618637268.db2.gz	DWGHKVLMKDTEHO-GDNBJRDFSA-N	-1	0	260.293	3.220	20	30		CGEDRM
COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1F	ZINC000255512574	618639576	/nfs/dbraw/zinc/63/95/76/618639576.db2.gz	KPUPPPPNKDEHGI-UHFFFAOYSA-N	-1	0	290.250	3.199	20	30		CGEDRM
Cn1nccc1/C=C\C(=O)c1ccc2ccccc2c1[O-]	ZINC000255778280	618794079	/nfs/dbraw/zinc/79/40/79/618794079.db2.gz	VYNJGYSFJXIUHY-CLFYSBASSA-N	-1	0	278.311	3.175	20	30		CGEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255844263	618798793	/nfs/dbraw/zinc/79/87/93/618798793.db2.gz	VEVSGSYFACDKIX-XQRVVYSFSA-N	-1	0	261.252	3.032	20	30		CGEDRM
Cc1ccccc1C(C)(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179736871	618799665	/nfs/dbraw/zinc/79/96/65/618799665.db2.gz	VYXCWJKIIJSFQV-UHFFFAOYSA-N	-1	0	294.354	3.489	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccs1	ZINC000077882551	619256651	/nfs/dbraw/zinc/25/66/51/619256651.db2.gz	GJUCJHMHFWLSTH-JTQLQIEISA-N	-1	0	295.385	3.144	20	30		CGEDRM
C=C1CCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	ZINC000909463122	619748721	/nfs/dbraw/zinc/74/87/21/619748721.db2.gz	BATZZPMFZSYQBV-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909519762	619812632	/nfs/dbraw/zinc/81/26/32/619812632.db2.gz	LNZYGWNHARFUKH-LLVKDONJSA-N	-1	0	275.348	3.101	20	30		CGEDRM
CC(F)(F)CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707374	620088798	/nfs/dbraw/zinc/08/87/98/620088798.db2.gz	OKYVPOYNECUZFV-UUASQNMZSA-N	-1	0	292.669	3.418	20	30		CGEDRM
CC(C)(CC#N)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840710878	620125644	/nfs/dbraw/zinc/12/56/44/620125644.db2.gz	MMIMEHLPBGXBMD-FRKPEAEDSA-N	-1	0	295.726	3.313	20	30		CGEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1	ZINC000840713983	620152596	/nfs/dbraw/zinc/15/25/96/620152596.db2.gz	WKFZNRMJFSQZSK-GIJQJNRQSA-N	-1	0	299.330	3.092	20	30		CGEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000073087106	625429895	/nfs/dbraw/zinc/42/98/95/625429895.db2.gz	OPDFBLSEZVLZGE-VMPCVLLUSA-N	-1	0	281.377	3.236	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CCCCC1	ZINC000899296191	620635414	/nfs/dbraw/zinc/63/54/14/620635414.db2.gz	VJTBPDRYXUOTCB-KGLIPLIRSA-N	-1	0	293.407	3.082	20	30		CGEDRM
O=C([O-])c1cc(C=NNC2CCCCC2)sc1Cl	ZINC000901227064	620847668	/nfs/dbraw/zinc/84/76/68/620847668.db2.gz	HQVFMDFBVBRLGP-UHFFFAOYSA-N	-1	0	286.784	3.356	20	30		CGEDRM
CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(O)c(Cl)c1	ZINC000901305317	620852308	/nfs/dbraw/zinc/85/23/08/620852308.db2.gz	CBFLXVUQFUGSKL-DDFAGTSDSA-N	-1	0	296.798	3.315	20	30		CGEDRM
C=CCN(Cc1occ(C(F)(F)F)c1C(=O)[O-])C1CC1	ZINC000903896428	621828375	/nfs/dbraw/zinc/82/83/75/621828375.db2.gz	RTJRDCONTXWSEG-UHFFFAOYSA-N	-1	0	289.253	3.147	20	30		CGEDRM
C=CCn1ncc2ccc(NC3CCC(C(=O)[O-])CC3)cc21	ZINC000904260284	621897881	/nfs/dbraw/zinc/89/78/81/621897881.db2.gz	NHICAWIRKCJNAV-UHFFFAOYSA-N	-1	0	299.374	3.278	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1cccc(C)c1C)C(=O)[O-]	ZINC000905016567	622028014	/nfs/dbraw/zinc/02/80/14/622028014.db2.gz	UBKJMALRNWGTED-AWEZNQCLSA-N	-1	0	290.363	3.234	20	30		CGEDRM
CCO[C@@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000905484092	622077288	/nfs/dbraw/zinc/07/72/88/622077288.db2.gz	MNHGOZGBDBUKPQ-OAHLLOKOSA-N	-1	0	290.363	3.061	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2C[C@@H]3CCC[C@H]3C2)cc1	ZINC000905485643	622081732	/nfs/dbraw/zinc/08/17/32/622081732.db2.gz	WFBOXIDJYVYCFS-STQMWFEESA-N	-1	0	272.348	3.292	20	30		CGEDRM
N#C[C@@]1(C(=O)[N-]OC2CCCCC2)CC2CCC1CC2	ZINC000907542265	622301119	/nfs/dbraw/zinc/30/11/19/622301119.db2.gz	BGZLRBNOQZAIJU-ZUEPYMLJSA-N	-1	0	276.380	3.087	20	30		CGEDRM
C=C1CCC(C(=O)N2CCc3ccc(C(=O)[O-])cc32)CC1	ZINC000908066488	622327348	/nfs/dbraw/zinc/32/73/48/622327348.db2.gz	AOIMDJAZKRENGS-UHFFFAOYSA-N	-1	0	285.343	3.020	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910297594	622474212	/nfs/dbraw/zinc/47/42/12/622474212.db2.gz	DVNOWRZOIPSHJN-VBQJREDUSA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)cc1Cl)C(=O)[O-]	ZINC000910915723	622508656	/nfs/dbraw/zinc/50/86/56/622508656.db2.gz	QKQVFBAJRREKGC-CYBMUJFWSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910948181	622511496	/nfs/dbraw/zinc/51/14/96/622511496.db2.gz	WJRLJTWLNHRVMB-UHFFFAOYSA-N	-1	0	279.361	3.257	20	30		CGEDRM
CCCCCCCC(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000164594255	622839820	/nfs/dbraw/zinc/83/98/20/622839820.db2.gz	KKAXVCPRPZVBBX-WFASDCNBSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CC[C@H](C)CCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009666	623854428	/nfs/dbraw/zinc/85/44/28/623854428.db2.gz	XYRICZUVSSSXEB-VIFPVBQESA-N	-1	0	252.289	3.358	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000764443208	623903961	/nfs/dbraw/zinc/90/39/61/623903961.db2.gz	VFFANCWLQMQYTG-PLNGDYQASA-N	-1	0	278.304	3.498	20	30		CGEDRM
CCCCCCCC/N=C/c1c(O)c(C)ncc1CO	ZINC000754685527	623925851	/nfs/dbraw/zinc/92/58/51/623925851.db2.gz	FWMUIIDWCUILHR-GZTJUZNOSA-N	-1	0	278.396	3.367	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cc(Cl)ccc2O)c1	ZINC000916255157	624126346	/nfs/dbraw/zinc/12/63/46/624126346.db2.gz	GDTIXHYJNLWTKA-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000033794254	624415400	/nfs/dbraw/zinc/41/54/00/624415400.db2.gz	HNDSXVFMYCQYGK-WDZFZDKYSA-N	-1	0	296.322	3.355	20	30		CGEDRM
CC(=O)Nc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000170851989	624656047	/nfs/dbraw/zinc/65/60/47/624656047.db2.gz	ZCQOSWSBDAIGHS-XBXARRHUSA-N	-1	0	299.301	3.386	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000170851789	624656588	/nfs/dbraw/zinc/65/65/88/624656588.db2.gz	OMUNGWCVIFBULF-GQCTYLIASA-N	-1	0	267.259	3.299	20	30		CGEDRM
N#Cc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755467167	626625197	/nfs/dbraw/zinc/62/51/97/626625197.db2.gz	NXYXLDFOZTVAIM-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
Cc1cccc(C)c1C=NNc1ccccc1C(=O)[O-]	ZINC000755602275	626631036	/nfs/dbraw/zinc/63/10/36/626631036.db2.gz	VGRVWAMOSOOQJB-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000756232108	626685006	/nfs/dbraw/zinc/68/50/06/626685006.db2.gz	QSFUOXQYXOOJMR-IUODEOHRSA-N	-1	0	286.375	3.047	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1cc(C)cc(C)c1	ZINC000756901101	626740335	/nfs/dbraw/zinc/74/03/35/626740335.db2.gz	JYCODRSDJIUFEU-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
O=C(/C=C\c1ccc(Cl)nc1)c1cc(F)ccc1[O-]	ZINC000757467770	626780733	/nfs/dbraw/zinc/78/07/33/626780733.db2.gz	LMPSAKMNUWXITN-RJRFIUFISA-N	-1	0	277.682	3.476	20	30		CGEDRM
O=C(/C=C\c1nccs1)c1cc(F)cc(F)c1[O-]	ZINC000757471803	626781289	/nfs/dbraw/zinc/78/12/89/626781289.db2.gz	FGFPJRJYBRMHJB-UPHRSURJSA-N	-1	0	267.256	3.023	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000759666773	626913909	/nfs/dbraw/zinc/91/39/09/626913909.db2.gz	VIBAHTMCPASHQU-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2C3CC4CC(C3)CC2C4)nc1	ZINC000763370164	627154328	/nfs/dbraw/zinc/15/43/28/627154328.db2.gz	LXRXSXNXAZRMSO-UHFFFAOYSA-N	-1	0	285.347	3.004	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2cc3ccccc3s2)nc1	ZINC000763371864	627154814	/nfs/dbraw/zinc/15/48/14/627154814.db2.gz	KXNOOAJQGYQVHI-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
CCc1cnccc1C(C)=NNc1ccccc1C(=O)[O-]	ZINC000765570083	627259641	/nfs/dbraw/zinc/25/96/41/627259641.db2.gz	QDNATGBYEGITLB-UHFFFAOYSA-N	-1	0	283.331	3.178	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cccc(F)c2)c1	ZINC000765823707	627273678	/nfs/dbraw/zinc/27/36/78/627273678.db2.gz	HKDNDZLXWWMHGW-SNAWJCMRSA-N	-1	0	276.288	3.482	20	30		CGEDRM
O=C(/C=C/c1cn[nH]c1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766033213	627289091	/nfs/dbraw/zinc/28/90/91/627289091.db2.gz	BYYFTBNPQAITFU-OWOJBTEDSA-N	-1	0	283.114	3.318	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2c([O-])cccc2Cl)c1	ZINC000769599496	627568658	/nfs/dbraw/zinc/56/86/58/627568658.db2.gz	XYYOOCKOVHVIJJ-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
CC(=NN[C@@H](C)CC#N)c1ccc(Cl)c(Cl)c1[O-]	ZINC000771882844	627739935	/nfs/dbraw/zinc/73/99/35/627739935.db2.gz	BFFWMXVVCMJUIR-ZETCQYMHSA-N	-1	0	286.162	3.315	20	30		CGEDRM
O=C(C=C1COc2ccc(F)cc21)c1sccc1[O-]	ZINC000773142965	627861937	/nfs/dbraw/zinc/86/19/37/627861937.db2.gz	JXUYVWWCAOCOMV-VMPITWQZSA-N	-1	0	276.288	3.252	20	30		CGEDRM
CC(C)(C)CN(CCC#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000775716069	628128411	/nfs/dbraw/zinc/12/84/11/628128411.db2.gz	AXQLEFJWNKUJSY-UHFFFAOYSA-N	-1	0	294.782	3.448	20	30		CGEDRM
N#Cc1ccc(SCC(=O)[N-]OC2CCCCC2)cc1	ZINC000777948302	628313309	/nfs/dbraw/zinc/31/33/09/628313309.db2.gz	DCDAVNCBPDVHKO-UHFFFAOYSA-N	-1	0	290.388	3.031	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NCC2(C)CCCCCC2)n1	ZINC000779756937	628426536	/nfs/dbraw/zinc/42/65/36/628426536.db2.gz	XKLWTTXKCVIXAJ-UHFFFAOYSA-N	-1	0	262.357	3.249	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccc(Cl)nc2)c1	ZINC000782208334	628625193	/nfs/dbraw/zinc/62/51/93/628625193.db2.gz	XTJSWEPDXXUIPY-NSCUHMNNSA-N	-1	0	293.731	3.391	20	30		CGEDRM
N#CC(=C([O-])c1cc2cccc(Cl)c2o1)c1ccncn1	ZINC000783134100	628679775	/nfs/dbraw/zinc/67/97/75/628679775.db2.gz	LMELZUIYBGMWRV-SNVBAGLBSA-N	-1	0	297.701	3.366	20	30		CGEDRM
CC[C@H]1CCC[C@@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000783821000	628749259	/nfs/dbraw/zinc/74/92/59/628749259.db2.gz	JGRCXEOKSUJKHE-VHSXEESVSA-N	-1	0	282.775	3.450	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1C=NNc1cnnc([O-])c1Cl	ZINC000783822025	628749461	/nfs/dbraw/zinc/74/94/61/628749461.db2.gz	RXEMUTXTQIFNAN-DTWKUNHWSA-N	-1	0	268.748	3.060	20	30		CGEDRM
N#Cc1cc(C=CC(=O)c2sccc2[O-])ccc1F	ZINC000787479796	629013857	/nfs/dbraw/zinc/01/38/57/629013857.db2.gz	KRACYJDKLWSDPW-RQOWECAXSA-N	-1	0	273.288	3.361	20	30		CGEDRM
CC(CCC(C)(C)C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000789034006	629098277	/nfs/dbraw/zinc/09/82/77/629098277.db2.gz	MALGKFQHTCRAMH-UHFFFAOYSA-N	-1	0	263.341	3.394	20	30		CGEDRM
CC[C@H](NN=CC[C@@H](C)CCC=C(C)C)C(=O)[O-]	ZINC000793058582	629406340	/nfs/dbraw/zinc/40/63/40/629406340.db2.gz	WADATFDSQPWAFO-STQMWFEESA-N	-1	0	254.374	3.198	20	30		CGEDRM
CC[C@H](NN=C1CC(c2cccc(Cl)c2)C1)C(=O)[O-]	ZINC000793080289	629408487	/nfs/dbraw/zinc/40/84/87/629408487.db2.gz	WZOLTTRNAFWIPT-HQVZTVAUSA-N	-1	0	280.755	3.026	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000119004961	629419414	/nfs/dbraw/zinc/41/94/14/629419414.db2.gz	APTUBJFBJMQHMA-HWKANZROSA-N	-1	0	273.244	3.098	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C1CC(F)(F)C1	ZINC000863106208	629472443	/nfs/dbraw/zinc/47/24/43/629472443.db2.gz	QJDMTBMLANXZKH-UHFFFAOYSA-N	-1	0	298.289	3.227	20	30		CGEDRM
CCCC(NN=C(CC)C(=O)[O-])c1cc(C)sc1C	ZINC000863114397	629476536	/nfs/dbraw/zinc/47/65/36/629476536.db2.gz	IRMJVDCACSFMKX-LBPRGKRZSA-N	-1	0	282.409	3.322	20	30		CGEDRM
C#C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Cl)cc1	ZINC000794061573	629515219	/nfs/dbraw/zinc/51/52/19/629515219.db2.gz	XMIJJEAKJLRZOS-VIFPVBQESA-N	-1	0	293.647	3.031	20	30		CGEDRM
CCCCCCCSc1nc2c(cnn2C)c(=O)[nH]1	ZINC000863363213	629551191	/nfs/dbraw/zinc/55/11/91/629551191.db2.gz	RAZJXXMHGCFUSF-UHFFFAOYSA-N	-1	0	280.397	3.131	20	30		CGEDRM
CCCCCCCNC(=O)c1cccc(CC(=O)[O-])c1	ZINC000864159021	629788198	/nfs/dbraw/zinc/78/81/98/629788198.db2.gz	LLNKMSFWAHEOFL-UHFFFAOYSA-N	-1	0	277.364	3.014	20	30		CGEDRM
CCCCCCCNC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864158952	629788226	/nfs/dbraw/zinc/78/82/26/629788226.db2.gz	JWBWOJZJNSAOSH-FPLPWBNLSA-N	-1	0	279.336	3.078	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000864177488	629790948	/nfs/dbraw/zinc/79/09/48/629790948.db2.gz	GDSSLJXCYGCGAX-SNVBAGLBSA-N	-1	0	281.739	3.123	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000864177487	629791134	/nfs/dbraw/zinc/79/11/34/629791134.db2.gz	GDSSLJXCYGCGAX-JTQLQIEISA-N	-1	0	281.739	3.123	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)CCC1CCCCC1)C(=O)[O-]	ZINC000864182082	629792899	/nfs/dbraw/zinc/79/28/99/629792899.db2.gz	IWDOGMSTOZXSCC-LBPRGKRZSA-N	-1	0	287.787	3.059	20	30		CGEDRM
CC(C)[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccnc1	ZINC000797959281	630008813	/nfs/dbraw/zinc/00/88/13/630008813.db2.gz	HSRHQCWIVZEQJH-MRXNPFEDSA-N	-1	0	295.342	3.037	20	30		CGEDRM
O=C(OCC#Cc1ccccc1)c1cc([S-])ccc1F	ZINC000798722393	630093439	/nfs/dbraw/zinc/09/34/39/630093439.db2.gz	WYJFPKWXXJPSOT-UHFFFAOYSA-N	-1	0	286.327	3.323	20	30		CGEDRM
C#C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)C(C)C	ZINC000799045763	630134360	/nfs/dbraw/zinc/13/43/60/630134360.db2.gz	RUTMJKXHOMPMTJ-SNVBAGLBSA-N	-1	0	286.158	3.087	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1	ZINC000802891356	630424852	/nfs/dbraw/zinc/42/48/52/630424852.db2.gz	QJICDGIMFBNXLN-VHSXEESVSA-N	-1	0	298.264	3.181	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2C[C@@H]2C(F)F)c1[O-]	ZINC000804599178	630541634	/nfs/dbraw/zinc/54/16/34/630541634.db2.gz	VZXREOSLQJNXMS-FFKHGHGMSA-N	-1	0	290.653	3.026	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000806559290	630566606	/nfs/dbraw/zinc/56/66/06/630566606.db2.gz	YRGLBYKXJSTOPC-BQYQJAHWSA-N	-1	0	277.279	3.153	20	30		CGEDRM
O=C1c2ccc([O-])c(F)c2C/C1=C/c1cccc(O)c1	ZINC000806575202	630568477	/nfs/dbraw/zinc/56/84/77/630568477.db2.gz	TXARCZGKFRTIIW-POHAHGRESA-N	-1	0	270.259	3.059	20	30		CGEDRM
C#Cc1ccccc1CC(=O)Nc1cccc(Cl)c1[O-]	ZINC000810392709	630874608	/nfs/dbraw/zinc/87/46/08/630874608.db2.gz	ZFKALUBIFAZASL-UHFFFAOYSA-N	-1	0	285.730	3.208	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NOC/C=C\Cl	ZINC000811671700	631108990	/nfs/dbraw/zinc/10/89/90/631108990.db2.gz	JYGGLSVJEMEVAI-MTTUKDABSA-N	-1	0	264.083	3.288	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C\C(=O)c1cc(O)ccc1[O-]	ZINC000811694007	631111108	/nfs/dbraw/zinc/11/11/08/631111108.db2.gz	RMLMIIRUFKVMRD-XQRVVYSFSA-N	-1	0	283.258	3.005	20	30		CGEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])c(C)c1	ZINC000812441937	631261531	/nfs/dbraw/zinc/26/15/31/631261531.db2.gz	JLBITVKZEKSTPL-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
[O-]c1cccc(C=Nn2cnc3ccccc32)c1Cl	ZINC000814780083	631637934	/nfs/dbraw/zinc/63/79/34/631637934.db2.gz	YOOCXYVPUTVZGW-UHFFFAOYSA-N	-1	0	271.707	3.278	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccccc1F	ZINC000814789593	631639902	/nfs/dbraw/zinc/63/99/02/631639902.db2.gz	KIJYLCWQONKHJJ-UHFFFAOYSA-N	-1	0	264.300	3.259	20	30		CGEDRM
CC(=NOCc1ccccc1)c1csc(C(=O)[O-])c1	ZINC000814791674	631640370	/nfs/dbraw/zinc/64/03/70/631640370.db2.gz	IUPAQHYARUPBSL-UHFFFAOYSA-N	-1	0	275.329	3.387	20	30		CGEDRM
C[C@H]1CC(N=Nc2ncccc2Cl)CC[C@H]1C(=O)[O-]	ZINC000814810503	631646465	/nfs/dbraw/zinc/64/64/65/631646465.db2.gz	OKZBVBDZNIAALX-WCBMZHEXSA-N	-1	0	281.743	3.024	20	30		CGEDRM
Oc1cccc(C=NNCc2ccc(F)cc2F)c1Cl	ZINC000814829724	631649635	/nfs/dbraw/zinc/64/96/35/631649635.db2.gz	HFPZJOZTPCJLKV-UHFFFAOYSA-N	-1	0	296.704	3.448	20	30		CGEDRM
Cc1ccnc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000814867692	631659576	/nfs/dbraw/zinc/65/95/76/631659576.db2.gz	BOTLPOJAULRROJ-UHFFFAOYSA-N	-1	0	283.331	3.151	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@@H]1C1CCC1	ZINC000814886562	631665873	/nfs/dbraw/zinc/66/58/73/631665873.db2.gz	FMEJHDLSDBWKHE-GFCCVEGCSA-N	-1	0	288.347	3.371	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@@H]1C(C)C	ZINC000814887684	631666107	/nfs/dbraw/zinc/66/61/07/631666107.db2.gz	QQLGQFULRWKOFA-LLVKDONJSA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=C([O-])c1cccc(CN=Nc2ncccc2F)c1Cl	ZINC000814927665	631686089	/nfs/dbraw/zinc/68/60/89/631686089.db2.gz	ZNGNHOSCMTXFTR-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
C[C@H]1C(=NNCC2(C)CCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814937794	631691906	/nfs/dbraw/zinc/69/19/06/631691906.db2.gz	PMJCYLJOOVQCLN-VXGBXAGGSA-N	-1	0	266.385	3.033	20	30		CGEDRM
C[C@]1(C#N)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816567593	632014161	/nfs/dbraw/zinc/01/41/61/632014161.db2.gz	GOJPVTMZIXVHPE-CQSZACIVSA-N	-1	0	282.746	3.310	20	30		CGEDRM
C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1[O-]	ZINC000866357428	633098580	/nfs/dbraw/zinc/09/85/80/633098580.db2.gz	DOSCVTIVKBEQGP-OQPBUACISA-N	-1	0	284.281	3.255	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000016975966	633304865	/nfs/dbraw/zinc/30/48/65/633304865.db2.gz	FFDBRKCJEMDNFY-GQCTYLIASA-N	-1	0	273.244	3.098	20	30		CGEDRM
N#CC(=C([O-])c1conc1C1CCCC1)c1ccccn1	ZINC000870135697	633535320	/nfs/dbraw/zinc/53/53/20/633535320.db2.gz	BQPWIWRTWIKMKC-GFCCVEGCSA-N	-1	0	281.315	3.217	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)/C(F)=C\C2CCCCC2)c1	ZINC000870690185	633626662	/nfs/dbraw/zinc/62/66/62/633626662.db2.gz	JYHUHMMAPHCMFR-XNTDXEJSSA-N	-1	0	288.322	3.402	20	30		CGEDRM
CC1(C(=O)[N-]Oc2cccc(C#N)c2)CCC(F)(F)CC1	ZINC000870691230	633627807	/nfs/dbraw/zinc/62/78/07/633627807.db2.gz	LNCOVUNRRMQUTL-UHFFFAOYSA-N	-1	0	294.301	3.184	20	30		CGEDRM
CC(C)OC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000871597831	633800707	/nfs/dbraw/zinc/80/07/07/633800707.db2.gz	VZKRNCNYMMZJNO-CXUHLZMHSA-N	-1	0	292.335	3.067	20	30		CGEDRM
C#CCCCCCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000834936677	634289750	/nfs/dbraw/zinc/28/97/50/634289750.db2.gz	CDQVRIXUHFFYCY-UHFFFAOYSA-N	-1	0	299.399	3.103	20	30		CGEDRM
C=C(C)[C@@H]1CCC(C)=C(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835007217	634311937	/nfs/dbraw/zinc/31/19/37/634311937.db2.gz	RDKYRVSIPGSINN-GFCCVEGCSA-N	-1	0	285.347	3.480	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCOC3(CCC3)C2)c(F)c1	ZINC000835008572	634313420	/nfs/dbraw/zinc/31/34/20/634313420.db2.gz	LMIFLPGOBNBPTJ-UHFFFAOYSA-N	-1	0	292.310	3.025	20	30		CGEDRM
COCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC000835009356	634313663	/nfs/dbraw/zinc/31/36/63/634313663.db2.gz	RLPHGNRABRXMEX-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
COCC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009429	634314037	/nfs/dbraw/zinc/31/40/37/634314037.db2.gz	SNCUCNOVHNWYAU-SNVBAGLBSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010197	634314682	/nfs/dbraw/zinc/31/46/82/634314682.db2.gz	SJNSFUYWPKDBNJ-AWEZNQCLSA-N	-1	0	294.326	3.127	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000021958412	634940998	/nfs/dbraw/zinc/94/09/98/634940998.db2.gz	CONLZECITKQTMO-SNAWJCMRSA-N	-1	0	283.308	3.214	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000840984570	635100008	/nfs/dbraw/zinc/10/00/08/635100008.db2.gz	GLLUPNSFLPUYQP-KGLIPLIRSA-N	-1	0	298.427	3.099	20	30		CGEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2C)c(C)n1C	ZINC000844624011	635945668	/nfs/dbraw/zinc/94/56/68/635945668.db2.gz	RYDACEUIHXWCPV-UHFFFAOYSA-N	-1	0	285.347	3.095	20	30		CGEDRM
C[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845833694	636104750	/nfs/dbraw/zinc/10/47/50/636104750.db2.gz	HUNOXPWRSJERSC-YUSALJHKSA-N	-1	0	287.384	3.174	20	30		CGEDRM
N#CC(C(=O)C1CC=CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845839631	636105436	/nfs/dbraw/zinc/10/54/36/636105436.db2.gz	YXFUIHXTFPREHR-ZDUSSCGKSA-N	-1	0	299.395	3.485	20	30		CGEDRM
CC(C)=CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835410	636105662	/nfs/dbraw/zinc/10/56/62/636105662.db2.gz	AUSMXFNQMDJLCM-LBPRGKRZSA-N	-1	0	287.384	3.485	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(CC)(CC)c1ccccc1	ZINC000846537805	636195459	/nfs/dbraw/zinc/19/54/59/636195459.db2.gz	PIHGYZLWUNEKCX-UHFFFAOYSA-N	-1	0	261.365	3.368	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccccc1)[C@H](C)CC	ZINC000846545340	636197813	/nfs/dbraw/zinc/19/78/13/636197813.db2.gz	NNKWKRZIDROTKZ-VNHYZAJKSA-N	-1	0	261.365	3.439	20	30		CGEDRM
C#CCCCCCCN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414936	636571320	/nfs/dbraw/zinc/57/13/20/636571320.db2.gz	UINNHAOPMDRCPG-UHFFFAOYSA-N	-1	0	272.348	3.295	20	30		CGEDRM
CCCCCCCCC(=O)NCC1(C(=O)[O-])CCC1	ZINC000138524708	637625679	/nfs/dbraw/zinc/62/56/79/637625679.db2.gz	HDPIVHQEZPQFQZ-UHFFFAOYSA-N	-1	0	269.385	3.108	20	30		CGEDRM
CC1(CNN=Cc2ccc(C(=O)[O-])c(F)c2)CCCC1	ZINC000853348224	637820169	/nfs/dbraw/zinc/82/01/69/637820169.db2.gz	DNJWFYFYVHRTAT-UHFFFAOYSA-N	-1	0	278.327	3.028	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(C(F)(F)F)CCCCC1	ZINC000856027795	638285777	/nfs/dbraw/zinc/28/57/77/638285777.db2.gz	AVPSUJQIHIFUJJ-UHFFFAOYSA-N	-1	0	265.275	3.123	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1cccc(C(C)C)c1	ZINC000856030653	638286818	/nfs/dbraw/zinc/28/68/18/638286818.db2.gz	LCXZHJXCGBZOBD-ZDUSSCGKSA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2cccc(OC)c2)CCCC1	ZINC000856032160	638287019	/nfs/dbraw/zinc/28/70/19/638287019.db2.gz	IYWMZKNYCMYEEA-UHFFFAOYSA-N	-1	0	289.375	3.131	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCC1	ZINC000856031217	638287085	/nfs/dbraw/zinc/28/70/85/638287085.db2.gz	IERCWSSPUTZFQG-UHFFFAOYSA-N	-1	0	289.375	3.049	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2cc(F)cc(F)c2)CCCC1	ZINC000861923720	639628813	/nfs/dbraw/zinc/62/88/13/639628813.db2.gz	CVZHNSVPZMYORR-UHFFFAOYSA-N	-1	0	281.302	3.010	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1	ZINC000077879665	640266462	/nfs/dbraw/zinc/26/64/62/640266462.db2.gz	ICJCBONYIPTISJ-GFCCVEGCSA-N	-1	0	289.356	3.082	20	30		CGEDRM
CCN(CCC#N)Cc1cc([O-])c(Cl)c(F)c1F	ZINC001250406463	805600554	/nfs/dbraw/zinc/60/05/54/805600554.db2.gz	OYZNEISUMSKSHB-UHFFFAOYSA-N	-1	0	274.698	3.059	20	30		CGEDRM
N#Cc1cccc(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001250584581	805708995	/nfs/dbraw/zinc/70/89/95/805708995.db2.gz	ZHFVZFYQXPKJAM-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1F	ZINC001250636264	805740731	/nfs/dbraw/zinc/74/07/31/805740731.db2.gz	ZBEUOYQOYYMTLA-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC001161067676	806345860	/nfs/dbraw/zinc/34/58/60/806345860.db2.gz	ORCOBLWOLFFQFX-UHFFFAOYSA-N	-1	0	267.275	3.377	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000208023831	799132488	/nfs/dbraw/zinc/13/24/88/799132488.db2.gz	MHIVVIRGAGOSGU-TWGQIWQCSA-N	-1	0	297.266	3.189	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12	ZINC000711624150	800067293	/nfs/dbraw/zinc/06/72/93/800067293.db2.gz	MRSXGCUNLIMKRD-XJKSGUPXSA-N	-1	0	281.396	3.203	20	30		CGEDRM
CCCCCc1nnc(CCC(=O)C2=CC=C[CH]2)o1	ZINC001256106619	806821174	/nfs/dbraw/zinc/82/11/74/806821174.db2.gz	CJHYIKWVGPNREC-UHFFFAOYSA-N	-1	0	259.329	3.004	20	30		CGEDRM
O=C(/C=C/c1cnccn1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000809158421	800414311	/nfs/dbraw/zinc/41/43/11/800414311.db2.gz	YKIJWMVFXKEXLP-OWOJBTEDSA-N	-1	0	295.125	3.385	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)s1	ZINC001256727977	806960065	/nfs/dbraw/zinc/96/00/65/806960065.db2.gz	NGWVMQVBCKHNBO-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3c([O-])cccc3Cl)c12	ZINC001244037304	803154285	/nfs/dbraw/zinc/15/42/85/803154285.db2.gz	RXAGHNLQRZVGQJ-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
C=CCNC(=O)c1ccc(-c2c([O-])cccc2Cl)nc1	ZINC001244036977	803154471	/nfs/dbraw/zinc/15/44/71/803154471.db2.gz	LRBZBJQYZUBSJM-UHFFFAOYSA-N	-1	0	288.734	3.023	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(OC)c(CC#N)c2)c1	ZINC001244177165	803227038	/nfs/dbraw/zinc/22/70/38/803227038.db2.gz	WIALTFHVCIJZFB-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
N#Cc1cnccc1-c1ccc2oc(=S)[n-]c2c1	ZINC001244334430	803310690	/nfs/dbraw/zinc/31/06/90/803310690.db2.gz	WDYVUEKZFMCUSI-UHFFFAOYSA-N	-1	0	253.286	3.050	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccc(C#N)cc1C#N	ZINC001244420986	803361272	/nfs/dbraw/zinc/36/12/72/803361272.db2.gz	DULHNPVNEUIHON-UHFFFAOYSA-N	-1	0	292.294	3.194	20	30		CGEDRM
COc1nc(-c2ccc(Cl)cc2[O-])c(F)cc1C#N	ZINC001244467679	803384167	/nfs/dbraw/zinc/38/41/67/803384167.db2.gz	YGVYJFHTAGEISV-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1ccc(C#N)c(-c2c(F)c([O-])ccc2Cl)n1	ZINC001244537807	803425129	/nfs/dbraw/zinc/42/51/29/803425129.db2.gz	GJOXATCVBAMTAF-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cc(-c2c(Cl)ccc([O-])c2F)nc(C2CC2)n1	ZINC001244540460	803428664	/nfs/dbraw/zinc/42/86/64/803428664.db2.gz	VQBWHHJKOBYFKT-UHFFFAOYSA-N	-1	0	289.697	3.391	20	30		CGEDRM
N#Cc1cccc(-c2cc(C(=O)[O-])c(Cl)cc2F)n1	ZINC001244609272	803463596	/nfs/dbraw/zinc/46/35/96/803463596.db2.gz	RQVAZPQJPGIUED-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1cnc(-c2cnc(F)c(C(=O)[O-])c2)c2ccccc12	ZINC001244754017	803520329	/nfs/dbraw/zinc/52/03/29/803520329.db2.gz	WRWJYKRVCKZRLF-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cc(-c2ncc(C#N)cc2F)cc(C)c1C(=O)[O-]	ZINC001244944333	803585082	/nfs/dbraw/zinc/58/50/82/803585082.db2.gz	GWACVHIZFTZUAD-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1ncc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1	ZINC001245002372	803609336	/nfs/dbraw/zinc/60/93/36/803609336.db2.gz	YIXGFRZISRFSQY-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1cc2nc(-c3cc(Cl)ccc3[O-])ccc2[nH]1	ZINC001245049093	803622326	/nfs/dbraw/zinc/62/23/26/803622326.db2.gz	PPPYFMMRLIDPBI-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cc(C2(C#N)CC2)ccn1	ZINC001245296280	803693417	/nfs/dbraw/zinc/69/34/17/803693417.db2.gz	CZNTVFLRQMFITO-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc2ncnc(C#N)c2c1	ZINC001245298562	803694230	/nfs/dbraw/zinc/69/42/30/803694230.db2.gz	CXHRYHFVALURIR-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
COc1cc(-c2cccc(C(=O)[O-])c2C)ccc1CC#N	ZINC001245301295	803695577	/nfs/dbraw/zinc/69/55/77/803695577.db2.gz	PNUSCVLISSFRBW-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(C#N)cc1C#N	ZINC001245300333	803695763	/nfs/dbraw/zinc/69/57/63/803695763.db2.gz	NPGWGYRVXREGJC-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1	ZINC001245322983	803700599	/nfs/dbraw/zinc/70/05/99/803700599.db2.gz	SQQIUBPEYSWJOO-VCHYOVAHSA-N	-1	0	287.290	3.318	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cc([O-])c(F)c(F)c3F)c12	ZINC001245637557	803874014	/nfs/dbraw/zinc/87/40/14/803874014.db2.gz	RFPFLMUHGRFTJF-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
Cc1ccc(-c2c(F)ccc([O-])c2Cl)c(C#N)n1	ZINC001245831028	803984294	/nfs/dbraw/zinc/98/42/94/803984294.db2.gz	GHAUKOXDPGWWIS-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cccc(-c2cc(=O)n(-c3ccc(C#N)cc3)[n-]2)c1	ZINC001245919988	804049545	/nfs/dbraw/zinc/04/95/45/804049545.db2.gz	OKTUUTUCKGASPO-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccccc3F)[n-]2)c1	ZINC001245937886	804068851	/nfs/dbraw/zinc/06/88/51/804068851.db2.gz	XQINZRSFTPWQCF-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
Cc1nc(-n2[n-]c(-c3cccc(C#N)c3)cc2=O)sc1C	ZINC001245937661	804070014	/nfs/dbraw/zinc/07/00/14/804070014.db2.gz	RSTPPRJBMHRDFW-UHFFFAOYSA-N	-1	0	296.355	3.190	20	30		CGEDRM
N#CCC1CN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140828932	804529605	/nfs/dbraw/zinc/52/96/05/804529605.db2.gz	AYYHCWBXFCNMNO-UHFFFAOYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
Cc1nsc(Nc2ccc(C(=O)[O-])cc2Cl)c1C#N	ZINC001248545360	804948078	/nfs/dbraw/zinc/94/80/78/804948078.db2.gz	YAZHQKCEBCCZEU-UHFFFAOYSA-N	-1	0	293.735	3.418	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212512655	815045384	/nfs/dbraw/zinc/04/53/84/815045384.db2.gz	XOBWBCSRLHLBGP-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc[nH]c1NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001148805492	805211411	/nfs/dbraw/zinc/21/14/11/805211411.db2.gz	ONJSTTJAQHJQBR-UHFFFAOYSA-N	-1	0	296.113	3.151	20	30		CGEDRM
C#CCCCCNC(=S)[N-]c1ccccc1SC	ZINC001249714559	805221359	/nfs/dbraw/zinc/22/13/59/805221359.db2.gz	HLAQYJQRJZDNRL-UHFFFAOYSA-N	-1	0	278.446	3.498	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249960663	805326207	/nfs/dbraw/zinc/32/62/07/805326207.db2.gz	PJDUXBIUQGDEBN-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
N#CCCCc1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001250059900	805395420	/nfs/dbraw/zinc/39/54/20/805395420.db2.gz	PVSAEIUBNPUJNI-UHFFFAOYSA-N	-1	0	257.211	3.250	20	30		CGEDRM
CCCCCCC[C@H](C)n1[n-]c2ccnc(=O)c-2c1N	ZINC001258043922	807274459	/nfs/dbraw/zinc/27/44/59/807274459.db2.gz	UZGDFSUTVDWKAJ-NSHDSACASA-N	-1	0	276.384	3.180	20	30		CGEDRM
C=Cc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1	ZINC001258283065	807393987	/nfs/dbraw/zinc/39/39/87/807393987.db2.gz	ICEZKUSBGIVZNC-UHFFFAOYSA-N	-1	0	284.340	3.002	20	30		CGEDRM
Cc1ccccc1Cc1nnc(-c2cccc(C#N)c2[O-])o1	ZINC001258461192	807464148	/nfs/dbraw/zinc/46/41/48/807464148.db2.gz	BNJLICJYLHWKCP-UHFFFAOYSA-N	-1	0	291.310	3.213	20	30		CGEDRM
Cc1ccccc1Cc1nnc(-c2ccc(C#N)cc2[O-])o1	ZINC001258461195	807464379	/nfs/dbraw/zinc/46/43/79/807464379.db2.gz	BQJHZNPRXGTPPS-UHFFFAOYSA-N	-1	0	291.310	3.213	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccs2)c(Cl)c1	ZINC001259106841	807675073	/nfs/dbraw/zinc/67/50/73/807675073.db2.gz	NHXNXRBBDSOBQW-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCS(=O)(=O)[N-]c1snc(-c2ccccc2)c1C	ZINC001259923443	807693013	/nfs/dbraw/zinc/69/30/13/807693013.db2.gz	JZIBDLSCHSWOQJ-UHFFFAOYSA-N	-1	0	294.401	3.046	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)c2)s1	ZINC001260684575	807698779	/nfs/dbraw/zinc/69/87/79/807698779.db2.gz	HPQHMSXNVUUSPP-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC001262625869	807879874	/nfs/dbraw/zinc/87/98/74/807879874.db2.gz	WXVKIHAWIWZYNG-UHFFFAOYSA-N	-1	0	261.321	3.280	20	30		CGEDRM
C=C[C@H]1C[C@@]1(Nc1cc(F)ccc1[S-])C(=O)OCC	ZINC001170928607	807937316	/nfs/dbraw/zinc/93/73/16/807937316.db2.gz	REOSSEXCYAZJOI-XPTSAGLGSA-N	-1	0	281.352	3.034	20	30		CGEDRM
C=C[C@@H]1C[C@@]1(Nc1cc(F)ccc1[S-])C(=O)OCC	ZINC001170928606	807937600	/nfs/dbraw/zinc/93/76/00/807937600.db2.gz	REOSSEXCYAZJOI-OTYXRUKQSA-N	-1	0	281.352	3.034	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(OC)c1	ZINC001173892338	808746036	/nfs/dbraw/zinc/74/60/36/808746036.db2.gz	SFMREDQPZGKOIH-UHFFFAOYSA-N	-1	0	288.278	3.164	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)ccc1F	ZINC001173950946	808779901	/nfs/dbraw/zinc/77/99/01/808779901.db2.gz	OYONBOJRPQBJQC-UHFFFAOYSA-N	-1	0	252.245	3.347	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001174496916	809044600	/nfs/dbraw/zinc/04/46/00/809044600.db2.gz	VAEQBKLDSGHVPP-RMKNXTFCSA-N	-1	0	264.284	3.400	20	30		CGEDRM
CC(C)Oc1ccc(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001174764821	809159197	/nfs/dbraw/zinc/15/91/97/809159197.db2.gz	HKJBADLVCAEJOT-UHFFFAOYSA-N	-1	0	287.294	3.329	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cn1	ZINC001175154332	809290757	/nfs/dbraw/zinc/29/07/57/809290757.db2.gz	KAEYSGCWFGFZOA-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1F	ZINC001175157188	809291751	/nfs/dbraw/zinc/29/17/51/809291751.db2.gz	ODBYWVLJAFKPIK-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)s1	ZINC001175158713	809292486	/nfs/dbraw/zinc/29/24/86/809292486.db2.gz	PVMWHXHZJKZWBZ-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175160813	809293083	/nfs/dbraw/zinc/29/30/83/809293083.db2.gz	NGKORUCNOJBURX-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223502	809315116	/nfs/dbraw/zinc/31/51/16/809315116.db2.gz	QVAJRFXTCMITIR-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
Cc1ccc2n[nH]cc2c1Nc1scc([O-])c1C#N	ZINC001175523741	809441466	/nfs/dbraw/zinc/44/14/66/809441466.db2.gz	LMQFYTQJVBPBAL-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1	ZINC001297613898	809520121	/nfs/dbraw/zinc/52/01/21/809520121.db2.gz	VCSAKNWEXGUZIB-UHFFFAOYSA-N	-1	0	289.693	3.418	20	30		CGEDRM
COc1cc(Nc2ccsc2C#N)cc(C(=O)[O-])c1	ZINC001213586823	815307039	/nfs/dbraw/zinc/30/70/39/815307039.db2.gz	OWISQGJIRMSWCL-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(Nc2csc(C#N)c2)cc(C(=O)[O-])c1	ZINC001213590684	815307693	/nfs/dbraw/zinc/30/76/93/815307693.db2.gz	FQTPMBOIBFUBCC-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1cc(Cl)nc(Nc2csc(C(=O)[O-])c2)c1C#N	ZINC001176436837	809696537	/nfs/dbraw/zinc/69/65/37/809696537.db2.gz	MQLGPAWMTRXPTB-UHFFFAOYSA-N	-1	0	293.735	3.418	20	30		CGEDRM
Cc1csc(Nc2csc(C(=O)[O-])c2)c1C#N	ZINC001176436920	809696690	/nfs/dbraw/zinc/69/66/90/809696690.db2.gz	LLQIOGCNVDRPJK-UHFFFAOYSA-N	-1	0	264.331	3.432	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)s1	ZINC001176586743	809724613	/nfs/dbraw/zinc/72/46/13/809724613.db2.gz	NDAHEYLDWZWZBC-UHFFFAOYSA-N	-1	0	284.340	3.480	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(C#N)c1	ZINC001213635512	815315660	/nfs/dbraw/zinc/31/56/60/815315660.db2.gz	OPLADXKNAOZOJY-UHFFFAOYSA-N	-1	0	291.310	3.191	20	30		CGEDRM
N#Cc1cccc(CCC(=O)Nc2ccccc2[S-])c1	ZINC001182340399	810107111	/nfs/dbraw/zinc/10/71/11/810107111.db2.gz	LZNADKKRTDALMD-UHFFFAOYSA-N	-1	0	282.368	3.418	20	30		CGEDRM
CCC1(NC(=O)CCC(=O)C2=CC=C[CH]2)CCCCC1	ZINC001184246358	810185457	/nfs/dbraw/zinc/18/54/57/810185457.db2.gz	QYZHLWWMDNPYRG-UHFFFAOYSA-N	-1	0	274.384	3.265	20	30		CGEDRM
CC(C)c1nnc([N-]c2ccc(C#N)cc2Cl)o1	ZINC001213989612	815354985	/nfs/dbraw/zinc/35/49/85/815354985.db2.gz	FUKLNHYANVPQSG-UHFFFAOYSA-N	-1	0	262.700	3.462	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2ccc([O-])c(F)c2)s1	ZINC001186201923	810320388	/nfs/dbraw/zinc/32/03/88/810320388.db2.gz	BKWBIWGMBCHBDJ-UHFFFAOYSA-N	-1	0	276.292	3.025	20	30		CGEDRM
CC(C)(C)Cc1cc(NC(=O)c2ccc([O-])c(C#N)c2)on1	ZINC001193497863	810898452	/nfs/dbraw/zinc/89/84/52/810898452.db2.gz	DKZOYIAMUBJHMB-UHFFFAOYSA-N	-1	0	299.330	3.093	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2ccc3c(c2)N=NC3)c1[O-]	ZINC001193652730	810929066	/nfs/dbraw/zinc/92/90/66/810929066.db2.gz	NFMDHHGWRLTJFW-UHFFFAOYSA-N	-1	0	278.271	3.113	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214491632	815417499	/nfs/dbraw/zinc/41/74/99/815417499.db2.gz	GXTBIXVEGYOIDT-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2cc(C#N)ccc2F)c1	ZINC001214599461	815429909	/nfs/dbraw/zinc/42/99/09/815429909.db2.gz	VRTKWRWHEGMIJQ-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
N#Cc1cccc(NC(=S)Nc2ccc(F)cc2[O-])c1	ZINC001197709058	811446790	/nfs/dbraw/zinc/44/67/90/811446790.db2.gz	PAOKBZLVGGBDRN-UHFFFAOYSA-N	-1	0	287.319	3.212	20	30		CGEDRM
C=CS(=O)(=O)[N-]c1sc2cc(Cl)ccc2c1C#N	ZINC001198569572	811518683	/nfs/dbraw/zinc/51/86/83/811518683.db2.gz	GTRBLHVLPDKPSW-UHFFFAOYSA-N	-1	0	298.776	3.312	20	30		CGEDRM
C=Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C#N)c1	ZINC001201320073	811812235	/nfs/dbraw/zinc/81/22/35/811812235.db2.gz	PKBAWOPRWKKUGV-UHFFFAOYSA-N	-1	0	298.367	3.311	20	30		CGEDRM
C[C@H](C#N)c1ccc(Nc2cnc(F)c(C(=O)[O-])c2)cc1	ZINC001215109419	815483388	/nfs/dbraw/zinc/48/33/88/815483388.db2.gz	DFDPAQOWJMXALT-SECBINFHSA-N	-1	0	285.278	3.290	20	30		CGEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1cccnn1	ZINC001201830790	811967704	/nfs/dbraw/zinc/96/77/04/811967704.db2.gz	MIZWOLSVPROLFS-UHFFFAOYSA-N	-1	0	299.440	3.359	20	30		CGEDRM
Cc1csc(Nc2ccsc2C(=O)[O-])c1C#N	ZINC001215383737	815513030	/nfs/dbraw/zinc/51/30/30/815513030.db2.gz	MKZUUAWULCIIJJ-UHFFFAOYSA-N	-1	0	264.331	3.432	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccsc2C(=O)[O-])c1F	ZINC001215394208	815515741	/nfs/dbraw/zinc/51/57/41/815515741.db2.gz	PHKJLPNFFMJHFQ-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccsc2C(=O)[O-])cc1F	ZINC001215397223	815516330	/nfs/dbraw/zinc/51/63/30/815516330.db2.gz	DDJPLLQVGNKZOG-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)s1	ZINC001215612765	815547662	/nfs/dbraw/zinc/54/76/62/815547662.db2.gz	IUOXNPRQOLRFBF-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1[N-]c1nnc(C(C)C)o1	ZINC001215645392	815550642	/nfs/dbraw/zinc/55/06/42/815550642.db2.gz	LLBAMOXOPBRDRP-UHFFFAOYSA-N	-1	0	256.309	3.425	20	30		CGEDRM
N#Cc1c(-c2ccsc2C(=O)[O-])nccc1C(F)(F)F	ZINC001205378784	812976026	/nfs/dbraw/zinc/97/60/26/812976026.db2.gz	UHDZLSJMSUTLDA-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccsc1C(=O)[O-]	ZINC001205542714	812997931	/nfs/dbraw/zinc/99/79/31/812997931.db2.gz	SJSOMUBQVRYCDB-UHFFFAOYSA-N	-1	0	285.328	3.044	20	30		CGEDRM
N#CCCOc1ccc(-c2ccsc2C(=O)[O-])cc1	ZINC001205605571	813021102	/nfs/dbraw/zinc/02/11/02/813021102.db2.gz	MTXPGSKZBMITTP-UHFFFAOYSA-N	-1	0	273.313	3.406	20	30		CGEDRM
Cc1cc(-c2ccsc2C(=O)[O-])cc(F)c1C#N	ZINC001205605709	813021616	/nfs/dbraw/zinc/02/16/16/813021616.db2.gz	PSQBRITUMVXZBP-UHFFFAOYSA-N	-1	0	261.277	3.433	20	30		CGEDRM
CO/N=C/c1cc(-c2ccsc2C(=O)[O-])cc(F)c1F	ZINC001205615421	813024452	/nfs/dbraw/zinc/02/44/52/813024452.db2.gz	ZUTSVBPWTJHWFT-OMCISZLKSA-N	-1	0	297.282	3.372	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccsc2C(=O)[O-])cc1	ZINC001205614237	813024931	/nfs/dbraw/zinc/02/49/31/813024931.db2.gz	KHJQXELUEBINJQ-RIYZIHGNSA-N	-1	0	261.302	3.312	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1csc(C(=O)[O-])c1	ZINC001206272861	813266190	/nfs/dbraw/zinc/26/61/90/813266190.db2.gz	RMEDZQANEYGHPN-UHFFFAOYSA-N	-1	0	277.276	3.155	20	30		CGEDRM
N#CCc1cc(-c2csc(C(=O)[O-])c2)ccc1C#N	ZINC001206278184	813268233	/nfs/dbraw/zinc/26/82/33/813268233.db2.gz	CBBVGXCYCUOBQY-UHFFFAOYSA-N	-1	0	268.297	3.051	20	30		CGEDRM
N#Cc1cc2cc(-c3csc(C(=O)[O-])c3)ccc2[nH]1	ZINC001206283697	813271145	/nfs/dbraw/zinc/27/11/45/813271145.db2.gz	GCGOGAWHIOSUKB-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
COc1ccc(Nc2cccc(C)c2C#N)cc1C(=O)[O-]	ZINC001209902594	814193934	/nfs/dbraw/zinc/19/39/34/814193934.db2.gz	GHUNWJHEXOFZPA-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CCc1cc(C#N)ccc1Nc1cccc(CC(=O)[O-])c1	ZINC001210071468	814273398	/nfs/dbraw/zinc/27/33/98/814273398.db2.gz	TZXQUAIBBSASPH-UHFFFAOYSA-N	-1	0	280.327	3.491	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])nc2)cc1Cl	ZINC001210176759	814321628	/nfs/dbraw/zinc/32/16/28/814321628.db2.gz	HNZMDUMJJONRLJ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2scc([O-])c2C#N)c1	ZINC001210388587	814438431	/nfs/dbraw/zinc/43/84/31/814438431.db2.gz	MZMAJTJRYQYURM-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cncc(N2CCCC2)c1	ZINC001210608388	814553186	/nfs/dbraw/zinc/55/31/86/814553186.db2.gz	ODICWGZWJPWSSR-UHFFFAOYSA-N	-1	0	286.360	3.064	20	30		CGEDRM
N#CCc1ccccc1Nc1ccccc1C(=O)[O-]	ZINC001210968926	814696160	/nfs/dbraw/zinc/69/61/60/814696160.db2.gz	NEKKEUAXYLWJQF-UHFFFAOYSA-N	-1	0	252.273	3.194	20	30		CGEDRM
COc1c(Nc2cc(C)ccc2C#N)cccc1C(=O)[O-]	ZINC001211036835	814713969	/nfs/dbraw/zinc/71/39/69/814713969.db2.gz	MDKNZNQNLKWZOP-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1c(Nc2c(C)cccc2C#N)cccc1C(=O)[O-]	ZINC001211036195	814714000	/nfs/dbraw/zinc/71/40/00/814714000.db2.gz	CMLNBHKBVMUWEA-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CCOC(=O)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001211203837	814846069	/nfs/dbraw/zinc/84/60/69/814846069.db2.gz	DUCXEXXGUBCOOP-UHFFFAOYSA-N	-1	0	288.328	3.246	20	30		CGEDRM
Cc1ccc(Nc2ccc(C#N)c(C#N)c2)cc1C(=O)[O-]	ZINC001211604185	814917257	/nfs/dbraw/zinc/91/72/57/814917257.db2.gz	SZGYLQVPEGGGHO-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1	ZINC001211624543	814920639	/nfs/dbraw/zinc/92/06/39/814920639.db2.gz	LLHULNOVYGOLJK-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
COc1cccc(Nc2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001211624755	814920792	/nfs/dbraw/zinc/92/07/92/814920792.db2.gz	SOKPCQJPZBQUBZ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#CCc1cncc(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242852155	823152715	/nfs/dbraw/zinc/15/27/15/823152715.db2.gz	VQSDCEZIGBKEPW-UHFFFAOYSA-N	-1	0	280.114	3.222	20	30		CGEDRM
N#Cc1cc(Nc2cncc(OCC3CC3)c2)c([O-])cc1F	ZINC001216599243	815872390	/nfs/dbraw/zinc/87/23/90/815872390.db2.gz	CYICEAGRRFNNJL-UHFFFAOYSA-N	-1	0	299.305	3.330	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cccc([S-])c3)c1-2	ZINC001242865162	823157827	/nfs/dbraw/zinc/15/78/27/823157827.db2.gz	XBSIMLSBQHYXCK-UHFFFAOYSA-N	-1	0	251.314	3.390	20	30		CGEDRM
C#CCOc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1	ZINC001216681869	815892252	/nfs/dbraw/zinc/89/22/52/815892252.db2.gz	NUYWTVWYLVLWSN-UHFFFAOYSA-N	-1	0	299.301	3.208	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(F)cc1CC#N	ZINC001242923434	823173714	/nfs/dbraw/zinc/17/37/14/823173714.db2.gz	OAERWFKEXPUJLB-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ncc(-c2ccc(/C=N/[O-])c(F)c2)cc1Cl	ZINC001242934228	823178671	/nfs/dbraw/zinc/17/86/71/823178671.db2.gz	TVMIDHXFFAXDPF-REZTVBANSA-N	-1	0	280.686	3.358	20	30		CGEDRM
COc1cc(-c2cc(F)c([O-])cc2F)cc(F)c1C#N	ZINC001222082799	816343097	/nfs/dbraw/zinc/34/30/97/816343097.db2.gz	IBYLEXFSNQKAGS-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)n1	ZINC001222673354	816496478	/nfs/dbraw/zinc/49/64/78/816496478.db2.gz	ZJJAMXXBFITHGT-UHFFFAOYSA-N	-1	0	292.338	3.239	20	30		CGEDRM
CC[C@@H]1OC(C)=C(O/C(=N\[O-])c2ccc(Cl)cc2)C1=O	ZINC001223594636	816655193	/nfs/dbraw/zinc/65/51/93/816655193.db2.gz	YVTBDAXTYLCJFT-NLPIWRNCSA-N	-1	0	295.722	3.102	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)c1nccs1	ZINC001223890629	816697825	/nfs/dbraw/zinc/69/78/25/816697825.db2.gz	WDAMTHAOSBFAQE-HYRIDYDYSA-N	-1	0	284.287	3.335	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@@H]2CCCc3ccccc32)[nH]1	ZINC001225467271	817061405	/nfs/dbraw/zinc/06/14/05/817061405.db2.gz	OYYGDSMLYAKZBX-MRXNPFEDSA-N	-1	0	280.327	3.424	20	30		CGEDRM
C=CCOCC(COCC=C)Oc1ccc([S-])cc1	ZINC001225554211	817090661	/nfs/dbraw/zinc/09/06/61/817090661.db2.gz	AFRBARXAEOLKRW-UHFFFAOYSA-N	-1	0	280.389	3.128	20	30		CGEDRM
N#C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1F	ZINC001225625567	817118714	/nfs/dbraw/zinc/11/87/14/817118714.db2.gz	LBIOLZBXXOTDTH-CYBMUJFWSA-N	-1	0	288.234	3.083	20	30		CGEDRM
C=C[C@H](CCCC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225976630	817236244	/nfs/dbraw/zinc/23/62/44/817236244.db2.gz	ASWJVPILZJWHJV-MRVPVSSYSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226014253	817249073	/nfs/dbraw/zinc/24/90/73/817249073.db2.gz	UNSFWDVYCVUOTD-SMDDNHRTSA-N	-1	0	288.322	3.478	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013699	817249562	/nfs/dbraw/zinc/24/95/62/817249562.db2.gz	QNWFYHSNUOHPRX-NSHDSACASA-N	-1	0	264.300	3.312	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C1CCC1	ZINC001226063561	817262239	/nfs/dbraw/zinc/26/22/39/817262239.db2.gz	IVZGHOPUVMQAFX-ZETCQYMHSA-N	-1	0	286.253	3.245	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccccc2)c1C#N	ZINC001226221420	817302229	/nfs/dbraw/zinc/30/22/29/817302229.db2.gz	KYEVDSNOSJYBQO-NSHDSACASA-N	-1	0	254.289	3.107	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[nH]c(=O)ncc1Br)C(=C)C	ZINC001227137587	817568345	/nfs/dbraw/zinc/56/83/45/817568345.db2.gz	KORPRQISTVVVOD-SNVBAGLBSA-N	-1	0	299.168	3.234	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(C#N)c(CC#N)c2)c1	ZINC001243182403	823277746	/nfs/dbraw/zinc/27/77/46/823277746.db2.gz	LMKBUPXQGMTVPA-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
Cc1ccc(-c2ccccc2CC#N)cc1C(=O)[O-]	ZINC001243195557	823285206	/nfs/dbraw/zinc/28/52/06/823285206.db2.gz	QXYMEAVCOPTRGN-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2C)c1	ZINC001243204665	823289702	/nfs/dbraw/zinc/28/97/02/823289702.db2.gz	VGQBDOAKVLEQOL-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc2cc[nH]c2nc1C#N	ZINC001243204663	823289829	/nfs/dbraw/zinc/28/98/29/823289829.db2.gz	VDDHIXNSMOWHHS-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
N#CC1CC(Oc2cc(O)ccc2C(=O)c2ccccc2)C1	ZINC001228184996	817834766	/nfs/dbraw/zinc/83/47/66/817834766.db2.gz	BGCIIBLPVMHRBQ-UHFFFAOYSA-N	-1	0	293.322	3.304	20	30		CGEDRM
N#CC1CC(Oc2cc(-c3ccccc3)nc(=S)[nH]2)C1	ZINC001228347119	817883750	/nfs/dbraw/zinc/88/37/50/817883750.db2.gz	QBBCKCLIFPQOBG-UHFFFAOYSA-N	-1	0	283.356	3.113	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228390060	817895918	/nfs/dbraw/zinc/89/59/18/817895918.db2.gz	JAXFSISUHCECOX-VIFPVBQESA-N	-1	0	256.733	3.349	20	30		CGEDRM
Cc1cc(-c2ccccc2C=NO)ccc1C(=O)[O-]	ZINC001243216764	823297140	/nfs/dbraw/zinc/29/71/40/823297140.db2.gz	KMVLWSQQZLWQST-UHFFFAOYSA-N	-1	0	255.273	3.168	20	30		CGEDRM
C#CC[C@@H](C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231209655	818058589	/nfs/dbraw/zinc/05/85/89/818058589.db2.gz	CJKHGRINBPZETL-CYBMUJFWSA-N	-1	0	280.323	3.414	20	30		CGEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C)c2ccccc2C#N)[n-]1	ZINC001231264310	818068144	/nfs/dbraw/zinc/06/81/44/818068144.db2.gz	QCQSOZCWVQYAHQ-SNVBAGLBSA-N	-1	0	299.286	3.016	20	30		CGEDRM
CCc1nnc(-c2ccc([O-])c(F)c2F)c(C#N)c1CC	ZINC001243340448	823353829	/nfs/dbraw/zinc/35/38/29/823353829.db2.gz	XUSDMRZYLDLNEM-UHFFFAOYSA-N	-1	0	289.285	3.124	20	30		CGEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835269	818714604	/nfs/dbraw/zinc/71/46/04/818714604.db2.gz	WSOLHXGVVKSCDG-ZDUSSCGKSA-N	-1	0	298.338	3.482	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc([O-])c(F)c3F)c12	ZINC001243342329	823357679	/nfs/dbraw/zinc/35/76/79/823357679.db2.gz	HAXHQNDHEZCCRZ-UHFFFAOYSA-N	-1	0	271.226	3.037	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1C#N	ZINC001233919254	818730761	/nfs/dbraw/zinc/73/07/61/818730761.db2.gz	MUVHBZINJGLTEA-UZGDPCLZSA-N	-1	0	286.375	3.417	20	30		CGEDRM
CC(C)C[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234531201	818876164	/nfs/dbraw/zinc/87/61/64/818876164.db2.gz	VBUIQLPOLSIYQD-JTQLQIEISA-N	-1	0	271.320	3.020	20	30		CGEDRM
N#Cc1cc(-c2nc[n-]c3nc(=S)sc2-3)ccc1F	ZINC001235890501	819199051	/nfs/dbraw/zinc/19/90/51/819199051.db2.gz	SSCKIAANJADRCZ-UHFFFAOYSA-N	-1	0	288.332	3.053	20	30		CGEDRM
Cc1nccc(-c2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001236000767	819267762	/nfs/dbraw/zinc/26/77/62/819267762.db2.gz	LLFMYNOOIPCOAN-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1c(Cl)c(-c2ccncc2C#N)ccc1C(=O)[O-]	ZINC001236119713	819329433	/nfs/dbraw/zinc/32/94/33/819329433.db2.gz	GCNKTOWRVUNBES-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
COc1c(F)ccc(-c2ccccc2C=N[O-])c1F	ZINC001243508700	823425344	/nfs/dbraw/zinc/42/53/44/823425344.db2.gz	KIPMQSFJQCXMHV-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
CCCCN(CC#N)Cc1cc(Cl)cc(F)c1[O-]	ZINC001237622108	819788575	/nfs/dbraw/zinc/78/85/75/819788575.db2.gz	MCTFOHKGKDDOHC-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
CCc1nc(C#N)cc(-c2ccc(C(F)(F)F)cc2[O-])n1	ZINC001243607480	823465676	/nfs/dbraw/zinc/46/56/76/823465676.db2.gz	VKTFNDISBIZHOS-UHFFFAOYSA-N	-1	0	293.248	3.302	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239340083	820283928	/nfs/dbraw/zinc/28/39/28/820283928.db2.gz	VULMVJGHKWHCGL-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])s3)nc2)CC1	ZINC001240842516	821363606	/nfs/dbraw/zinc/36/36/06/821363606.db2.gz	IRIITYNYNOVXJC-UHFFFAOYSA-N	-1	0	270.313	3.063	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(C(=O)[O-])s1	ZINC001240842248	821364231	/nfs/dbraw/zinc/36/42/31/821364231.db2.gz	DOHSAZPXKGRZQQ-UHFFFAOYSA-N	-1	0	285.328	3.044	20	30		CGEDRM
COc1cc(-c2cc(C(=O)[O-])ccc2C)cc(F)c1C#N	ZINC001241005718	821484020	/nfs/dbraw/zinc/48/40/20/821484020.db2.gz	QAULBNVKMODXHT-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#Cc1nc(-c2ccccc2)c(-c2ccccc2[O-])nc1C#N	ZINC001241009846	821486525	/nfs/dbraw/zinc/48/65/25/821486525.db2.gz	ZPTIBLPLDWCJOG-UHFFFAOYSA-N	-1	0	298.305	3.260	20	30		CGEDRM
O=C([O-])c1cc(-c2cc(/C=N/O)ccc2F)ccc1F	ZINC001241246573	821667748	/nfs/dbraw/zinc/66/77/48/821667748.db2.gz	WHWYAOLIKITWCX-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
Cc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001241246239	821667883	/nfs/dbraw/zinc/66/78/83/821667883.db2.gz	XPRZHMFAEKKAKK-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
C=CCOc1ccc(-c2c(F)ccc([O-])c2F)nc1C#N	ZINC001241289776	821706659	/nfs/dbraw/zinc/70/66/59/821706659.db2.gz	DGNDWHZFFPLMIS-UHFFFAOYSA-N	-1	0	288.253	3.169	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])c(Cl)c3)ccc12	ZINC001241347277	821750685	/nfs/dbraw/zinc/75/06/85/821750685.db2.gz	WQDVIOZGZKDCEI-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
N#Cc1cc(F)cc(-c2ccccc2/C=C/C(=O)[O-])c1	ZINC001241658852	822035116	/nfs/dbraw/zinc/03/51/16/822035116.db2.gz	YVMRKUCCEKSUQE-AATRIKPKSA-N	-1	0	267.259	3.462	20	30		CGEDRM
N#CCc1ccccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241829331	822167164	/nfs/dbraw/zinc/16/71/64/822167164.db2.gz	XYZYWLHBKSXBAE-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cc(F)cc(C(=O)[O-])c2)cn1	ZINC001241829325	822167193	/nfs/dbraw/zinc/16/71/93/822167193.db2.gz	XJXCUNQSUWETSY-UHFFFAOYSA-N	-1	0	284.290	3.387	20	30		CGEDRM
C=C(C)c1ccc(-c2ccc(OC)c(C(=O)[O-])c2)nc1	ZINC001241861732	822183742	/nfs/dbraw/zinc/18/37/42/822183742.db2.gz	ILIRLBSRWROGSP-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
COc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncc1C#N	ZINC001242127583	822887859	/nfs/dbraw/zinc/88/78/59/822887859.db2.gz	ZZGPICLTRNQJPA-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cnc2c(C#N)c[nH]c2c1	ZINC001242210011	822911090	/nfs/dbraw/zinc/91/10/90/822911090.db2.gz	CCFRLGDOOIXRKI-UHFFFAOYSA-N	-1	0	295.273	3.247	20	30		CGEDRM
N#Cc1cnc2cc(-c3cccc(CC(=O)[O-])c3)ccc2c1	ZINC001242265456	822931160	/nfs/dbraw/zinc/93/11/60/822931160.db2.gz	YEXSDZQWCRUYBK-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#Cc1nc(-c2cccc(F)c2[O-])ccc1C(F)(F)F	ZINC001242349618	822960653	/nfs/dbraw/zinc/96/06/53/822960653.db2.gz	PBOAWCLFVYJNHB-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CCc1ccc(F)c(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242379428	822974449	/nfs/dbraw/zinc/97/44/49/822974449.db2.gz	CWZMXASCRFAYEF-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(C)c1C#N	ZINC001242390815	822979248	/nfs/dbraw/zinc/97/92/48/822979248.db2.gz	JBOBOPUWHNEYHN-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
Cc1ccc(CC(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC001341341326	936434850	/nfs/dbraw/zinc/43/48/50/936434850.db2.gz	JLJRMCATUIJKJS-UHFFFAOYSA-N	-1	0	283.331	3.119	20	30		CGEDRM
Cn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001342924068	936483781	/nfs/dbraw/zinc/48/37/81/936483781.db2.gz	JLMUYDLZNXJJSL-AUWXEVLLSA-N	-1	0	275.327	3.030	20	30		CGEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230886613	928072213	/nfs/dbraw/zinc/07/22/13/928072213.db2.gz	RMTBBGRLCGZYDK-SECBINFHSA-N	-1	0	276.723	3.170	20	30		CGEDRM
CCCc1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1	ZINC001440433842	937329726	/nfs/dbraw/zinc/32/97/26/937329726.db2.gz	UDOUYHZNXFZALD-UHFFFAOYSA-N	-1	0	295.342	3.172	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1	ZINC001457015030	937437329	/nfs/dbraw/zinc/43/73/29/937437329.db2.gz	KJIHIUXFWAJZRS-UHFFFAOYSA-N	-1	0	271.703	3.279	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H](c1ccccc1)C(F)(F)F	ZINC001228898808	932048052	/nfs/dbraw/zinc/04/80/52/932048052.db2.gz	MDMBURQZBPPANI-LBPRGKRZSA-N	-1	0	294.232	3.341	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228972536	932063247	/nfs/dbraw/zinc/06/32/47/932063247.db2.gz	XUUXVTOWZDBBGH-JTQLQIEISA-N	-1	0	267.281	3.130	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1	ZINC001546334705	938000578	/nfs/dbraw/zinc/00/05/78/938000578.db2.gz	YLZPVEMGIOOFKD-CYBMUJFWSA-N	-1	0	298.729	3.196	20	30		CGEDRM
C=CCCC[C@H](C(=O)[N-]OCC(F)F)c1ccccc1	ZINC001556160440	938150393	/nfs/dbraw/zinc/15/03/93/938150393.db2.gz	AAEBNSLQQQEOQJ-ZDUSSCGKSA-N	-1	0	283.318	3.439	20	30		CGEDRM
N#Cc1ccccc1CNc1cccc(CCC(=O)[O-])c1	ZINC001601126073	970939114	/nfs/dbraw/zinc/93/91/14/970939114.db2.gz	NGOXCYDWVXYIJG-UHFFFAOYSA-N	-1	0	280.327	3.188	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000232913307	949792993	/nfs/dbraw/zinc/79/29/93/949792993.db2.gz	GLAFHWKQWBBWQK-DZGCQCFKSA-N	-1	0	283.412	3.449	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000315230502	950840374	/nfs/dbraw/zinc/84/03/74/950840374.db2.gz	PCCACJAWWGPJQR-UHFFFAOYSA-N	-1	0	290.363	3.038	20	30		CGEDRM
CCOc1ccc(C#N)cc1NCc1cccc(C(=O)[O-])c1	ZINC001592343415	951323597	/nfs/dbraw/zinc/32/35/97/951323597.db2.gz	QCHGUUQPQZQHFL-UHFFFAOYSA-N	-1	0	296.326	3.267	20	30		CGEDRM
N#CCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001594608775	956187317	/nfs/dbraw/zinc/18/73/17/956187317.db2.gz	AZMHKSPFGZZLFL-UHFFFAOYSA-N	-1	0	298.701	3.200	20	30		CGEDRM
N#Cc1cccc(-c2csc(CCCC(=O)[O-])n2)c1	ZINC000388458296	972171503	/nfs/dbraw/zinc/17/15/03/972171503.db2.gz	ADLFKAACSKJTKU-UHFFFAOYSA-N	-1	0	272.329	3.089	20	30		CGEDRM
N#Cc1ccc(Cl)cc1OCc1occc1C(=O)[O-]	ZINC000128912718	958684240	/nfs/dbraw/zinc/68/42/40/958684240.db2.gz	MWKAEBDDLDOIIX-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
C=C(C)CCOc1ccc(Br)cc1C(=O)[O-]	ZINC000165360477	959279279	/nfs/dbraw/zinc/27/92/79/959279279.db2.gz	WYOGIIWPCKPWBH-UHFFFAOYSA-N	-1	0	285.137	3.492	20	30		CGEDRM
CCC(CC)CN(CCC#N)Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC001595111327	960527460	/nfs/dbraw/zinc/52/74/60/960527460.db2.gz	GLOSWJSEXYFORZ-UHFFFAOYSA-N	-1	0	291.395	3.173	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-]	ZINC001573319728	962746724	/nfs/dbraw/zinc/74/67/24/962746724.db2.gz	AIOYTICPMQHSTN-JTQLQIEISA-N	-1	0	295.404	3.195	20	30		CGEDRM
C=C(C)C[C@@H](Nc1nc2ccccc2s1)C(=O)[O-]	ZINC001573323989	962779986	/nfs/dbraw/zinc/77/99/86/962779986.db2.gz	LDYAGMXYIZUPIS-SNVBAGLBSA-N	-1	0	262.334	3.128	20	30		CGEDRM
C=C(CC)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001573325111	962792524	/nfs/dbraw/zinc/79/25/24/962792524.db2.gz	DAMDRNAFNAAFHD-UHFFFAOYSA-N	-1	0	271.675	3.082	20	30		CGEDRM
C=CCCCCCOc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001573365803	963057520	/nfs/dbraw/zinc/05/75/20/963057520.db2.gz	ILNWKQBOVGRTNF-UHFFFAOYSA-N	-1	0	292.331	3.297	20	30		CGEDRM
C=CC[C@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC001588745526	963171340	/nfs/dbraw/zinc/17/13/40/963171340.db2.gz	KBXIGTFHYAVCCR-UWVGGRQHSA-N	-1	0	282.409	3.121	20	30		CGEDRM
C=C(C)CCSCc1ccc(-c2nn[nH]n2)cc1C	ZINC001588425207	963267281	/nfs/dbraw/zinc/26/72/81/963267281.db2.gz	XVGCUUKWPTVVNY-UHFFFAOYSA-N	-1	0	274.393	3.375	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1	ZINC001588419761	963272521	/nfs/dbraw/zinc/27/25/21/963272521.db2.gz	SOZATXQLZPPADJ-UHFFFAOYSA-N	-1	0	297.362	3.039	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1	ZINC001588457205	963277513	/nfs/dbraw/zinc/27/75/13/963277513.db2.gz	POCVHTNSBZRMGN-LBPRGKRZSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=C(C)CNc1nc(C(=O)[O-])c(-c2ccccc2)s1	ZINC001588570333	963287442	/nfs/dbraw/zinc/28/74/42/963287442.db2.gz	YVEBDKCEGBYBPR-UHFFFAOYSA-N	-1	0	274.345	3.496	20	30		CGEDRM
C=C(C)CC[C@H](C)OC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001588559909	963287568	/nfs/dbraw/zinc/28/75/68/963287568.db2.gz	VHUUUAYOJVJKDD-DJYGCBNOSA-N	-1	0	278.304	3.279	20	30		CGEDRM
C=C(C)C[C@@H](Nc1ncnc2sc(CC)cc21)C(=O)[O-]	ZINC001588554422	963288217	/nfs/dbraw/zinc/28/82/17/963288217.db2.gz	GZYZTGGABQUXPN-LLVKDONJSA-N	-1	0	291.376	3.085	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CCC(C)C	ZINC001588621320	963290843	/nfs/dbraw/zinc/29/08/43/963290843.db2.gz	CCZWHJHVSXKRJG-UONOGXRCSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC001588624687	963291110	/nfs/dbraw/zinc/29/11/10/963291110.db2.gz	SIORCBXGGIUYKS-AEGPPILISA-N	-1	0	295.423	3.232	20	30		CGEDRM
CC(C)(C#N)CCCNc1cccc(CCC(=O)[O-])c1	ZINC001588606412	963291590	/nfs/dbraw/zinc/29/15/90/963291590.db2.gz	FDWJJVONCUREQL-UHFFFAOYSA-N	-1	0	274.364	3.446	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N([C@H](C)c1ccccc1)C1CC1	ZINC001588611963	963291846	/nfs/dbraw/zinc/29/18/46/963291846.db2.gz	DBDXOOGLPXKWCM-CYBMUJFWSA-N	-1	0	287.359	3.160	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@H]1CCC(C)C	ZINC001588621317	963292765	/nfs/dbraw/zinc/29/27/65/963292765.db2.gz	CCZWHJHVSXKRJG-KBPBESRZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H]1c1ccc(Cl)cc1	ZINC001588614404	963292861	/nfs/dbraw/zinc/29/28/61/963292861.db2.gz	UDHBIEGOMIFMKL-ZDUSSCGKSA-N	-1	0	293.750	3.034	20	30		CGEDRM
C=C(CC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21	ZINC001588605800	963294866	/nfs/dbraw/zinc/29/48/66/963294866.db2.gz	NLPFVXHNDCKHAT-MRXNPFEDSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588683369	963297667	/nfs/dbraw/zinc/29/76/67/963297667.db2.gz	YVWBYNXOQYYPCC-AWEZNQCLSA-N	-1	0	296.392	3.046	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001588677115	963298295	/nfs/dbraw/zinc/29/82/95/963298295.db2.gz	RFVATEGLSSOPMC-UHFFFAOYSA-N	-1	0	290.363	3.335	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(CCC(=O)[O-])c1ccccc1C	ZINC001588690593	963298464	/nfs/dbraw/zinc/29/84/64/963298464.db2.gz	DKWCFPPBPDXELM-AWEZNQCLSA-N	-1	0	289.375	3.405	20	30		CGEDRM
C=C[C@@H](C(=O)N[C@@H](CCCCC)C(=O)[O-])c1ccccc1	ZINC001588664113	963300278	/nfs/dbraw/zinc/30/02/78/963300278.db2.gz	OAKWBPACKZJTJV-CABCVRRESA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C[C@H](C(=O)[O-])[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1	ZINC001588664925	963300404	/nfs/dbraw/zinc/30/04/04/963300404.db2.gz	ZRYCCQLXQITWNW-OAHLLOKOSA-N	-1	0	293.313	3.083	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588672882	963300798	/nfs/dbraw/zinc/30/07/98/963300798.db2.gz	CQNVJRUXDBWBPX-UHFFFAOYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=CC1(CC(=O)N[C@](C)(CCC)C(=O)[O-])CCCCC1	ZINC001588719559	963302922	/nfs/dbraw/zinc/30/29/22/963302922.db2.gz	VOIBIMYEDJGVCG-OAHLLOKOSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588690771	963306921	/nfs/dbraw/zinc/30/69/21/963306921.db2.gz	LFICAPNXLAMFPS-LLVKDONJSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3c2cccc3C(=O)[O-])CCCC1	ZINC001588763762	963308655	/nfs/dbraw/zinc/30/86/55/963308655.db2.gz	YQORQGOQSHULNB-UHFFFAOYSA-N	-1	0	299.370	3.410	20	30		CGEDRM
C=CCC(F)(F)c1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC001588742427	963308750	/nfs/dbraw/zinc/30/87/50/963308750.db2.gz	CSCXVXVFCHTMON-UHFFFAOYSA-N	-1	0	280.230	3.103	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C(C1CCC1)C1CCC1)C(=O)[O-]	ZINC001588786620	963317373	/nfs/dbraw/zinc/31/73/73/963317373.db2.gz	QHHNQRGTRCEYAG-AWEZNQCLSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCC1(CNc2nc(C)cc(C(=O)[O-])n2)CCCC1	ZINC001588782165	963318208	/nfs/dbraw/zinc/31/82/08/963318208.db2.gz	RJOCJDPHFKDABF-UHFFFAOYSA-N	-1	0	289.379	3.422	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])co1)c1ccccc1	ZINC001588829130	963321101	/nfs/dbraw/zinc/32/11/01/963321101.db2.gz	DLVSDPHNZWCBIL-UHFFFAOYSA-N	-1	0	257.289	3.170	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCCCO1	ZINC001589016611	963344547	/nfs/dbraw/zinc/34/45/47/963344547.db2.gz	CSBHFHQJZNSKRW-ZDUSSCGKSA-N	-1	0	296.754	3.395	20	30		CGEDRM
CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC001589016502	963346013	/nfs/dbraw/zinc/34/60/13/963346013.db2.gz	QNVRCQHEEWSPQH-UHFFFAOYSA-N	-1	0	293.326	3.401	20	30		CGEDRM
CC[C@H](C)c1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC001589463948	963987472	/nfs/dbraw/zinc/98/74/72/963987472.db2.gz	KODPEDJXFKQWBA-ZBEGNZNMSA-N	-1	0	288.347	3.143	20	30		CGEDRM
C[C@@H](C(=O)[O-])c1cccc(NCc2ccc(C#N)c(F)c2)c1	ZINC001589531909	963995593	/nfs/dbraw/zinc/99/55/93/963995593.db2.gz	KPOOZBYRQGYYTD-LLVKDONJSA-N	-1	0	298.317	3.498	20	30		CGEDRM
CCCCCCCCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001589645007	964010980	/nfs/dbraw/zinc/01/09/80/964010980.db2.gz	HWTPGXVSCRKUME-CMDGGOBGSA-N	-1	0	293.363	3.468	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)C1(C(=O)[O-])CCC1	ZINC001589645050	964011065	/nfs/dbraw/zinc/01/10/65/964011065.db2.gz	KROAXRXAVUKQNR-UHFFFAOYSA-N	-1	0	283.412	3.450	20	30		CGEDRM
CC(C)(C)[C@@H](C#N)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001589699781	964020771	/nfs/dbraw/zinc/02/07/71/964020771.db2.gz	RRRWCWJDBUDUHW-LLVKDONJSA-N	-1	0	295.722	3.133	20	30		CGEDRM
C#CCN(CC(=O)[O-])[C@@H](C)c1ccc(Cl)c(Cl)c1	ZINC000092492096	967598799	/nfs/dbraw/zinc/59/87/99/967598799.db2.gz	KUIOHZHOYRRPKL-VIFPVBQESA-N	-1	0	286.158	3.074	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(C#N)c2C)c1	ZINC001605141472	972821042	/nfs/dbraw/zinc/82/10/42/972821042.db2.gz	WUQLBJNVMNQIMA-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
Cc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ncc1C#N	ZINC001605213602	972958909	/nfs/dbraw/zinc/95/89/09/972958909.db2.gz	XNIKCLBLCPELCG-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001603641275	973989310	/nfs/dbraw/zinc/98/93/10/973989310.db2.gz	ZQXMXRDQVZHENZ-LLVKDONJSA-N	-1	0	295.383	3.433	20	30		CGEDRM
Cc1ccc(N=NC(C)CC(C)(C)C#N)cc1C(=O)[O-]	ZINC001592439491	978091507	/nfs/dbraw/zinc/09/15/07/978091507.db2.gz	KRTRYBAMZAMNLC-UHFFFAOYSA-N	-1	0	273.336	3.421	20	30		CGEDRM
C[C@H](CCC#N)CNc1cc(C(=O)[O-])cc2cccnc21	ZINC001592470146	978218050	/nfs/dbraw/zinc/21/80/50/978218050.db2.gz	DLCBGUOGWUJQAA-LLVKDONJSA-N	-1	0	283.331	3.285	20	30		CGEDRM
CCCC[C@@H](Nc1ccccc1O[C@H](C)C#N)C(=O)[O-]	ZINC001595645306	981988311	/nfs/dbraw/zinc/98/83/11/981988311.db2.gz	HNLJWRKQWFTRED-DGCLKSJQSA-N	-1	0	276.336	3.033	20	30		CGEDRM
CN(Cc1ccc(F)cc1C#N)c1ccccc1C(=O)[O-]	ZINC001598518592	992650586	/nfs/dbraw/zinc/65/05/86/992650586.db2.gz	MRTLZFRTOUBGHG-UHFFFAOYSA-N	-1	0	284.290	3.032	20	30		CGEDRM
CCS[C@H]1CCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000590583939	346852405	/nfs/dbraw/zinc/85/24/05/346852405.db2.gz	JAFLRMYONFMWHV-APPZFPTMSA-N	-1	0	287.841	3.176	20	30		CGEDRM
CC(C)C[C@H](Nc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000591325079	346915586	/nfs/dbraw/zinc/91/55/86/346915586.db2.gz	HBZWXHFBQJEWRO-AWEZNQCLSA-N	-1	0	283.331	3.018	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738489377	571802907	/nfs/dbraw/zinc/80/29/07/571802907.db2.gz	VCVRQSVALLMZCR-QMMMGPOBSA-N	-1	0	281.287	3.002	20	30		CGEDRM
N#CC(=C([O-])c1ncoc1-c1ccccc1)c1ccccn1	ZINC000112148848	345953277	/nfs/dbraw/zinc/95/32/77/345953277.db2.gz	CGZVVTRTPKHDSA-CYBMUJFWSA-N	-1	0	289.294	3.227	20	30		CGEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc21	ZINC000188313643	346262063	/nfs/dbraw/zinc/26/20/63/346262063.db2.gz	KXDDGTSGBYHUOF-NSHDSACASA-N	-1	0	278.311	3.028	20	30		CGEDRM
N#Cc1c(N[C@H]2CC[C@@H](C(=O)[O-])C2)cccc1C(F)F	ZINC000595969970	347373413	/nfs/dbraw/zinc/37/34/13/347373413.db2.gz	SHDSPMDGAPMYOV-BDAKNGLRSA-N	-1	0	280.274	3.161	20	30		CGEDRM
C=CCCSCCNc1ncc(C(=O)[O-])cc1Cl	ZINC000595968740	347373551	/nfs/dbraw/zinc/37/35/51/347373551.db2.gz	LCXLFAQETGWQFL-UHFFFAOYSA-N	-1	0	286.784	3.154	20	30		CGEDRM
Cc1[n-]n([C@H]2CCCCC2(C)C)c(=O)c1CCC#N	ZINC000601947295	347927846	/nfs/dbraw/zinc/92/78/46/347927846.db2.gz	UJKUUYYXTICKNB-OLZOCXBDSA-N	-1	0	261.369	3.093	20	30		CGEDRM
C[C@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c2C1	ZINC000601950021	347928488	/nfs/dbraw/zinc/92/84/88/347928488.db2.gz	SKZUTYZLFMFEAU-CABZTGNLSA-N	-1	0	287.750	3.350	20	30		CGEDRM
C[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1ccc(C#N)cc1	ZINC000608831085	348332381	/nfs/dbraw/zinc/33/23/81/348332381.db2.gz	STSWNBBSHFMGHI-GFCCVEGCSA-N	-1	0	290.326	3.203	20	30		CGEDRM
CC(C)(C)c1n[n-]c(=N[C@@H]2CCc3cc(C#N)ccc32)s1	ZINC000618693632	349145434	/nfs/dbraw/zinc/14/54/34/349145434.db2.gz	LEZIIFJLOBAKGD-CYBMUJFWSA-N	-1	0	298.415	3.229	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000620857699	349429531	/nfs/dbraw/zinc/42/95/31/349429531.db2.gz	GFCRENQZQFEPRZ-UHFFFAOYSA-N	-1	0	287.281	3.284	20	30		CGEDRM
Cc1nocc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000626356166	350298009	/nfs/dbraw/zinc/29/80/09/350298009.db2.gz	VNPJWHSIHSDHQG-VIFPVBQESA-N	-1	0	275.333	3.053	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630246782	350819183	/nfs/dbraw/zinc/81/91/83/350819183.db2.gz	AMZKYTOSMLPBEQ-MLGOLLRUSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000630326658	350823827	/nfs/dbraw/zinc/82/38/27/350823827.db2.gz	RSODPXXUJDSBPT-HIFRSBDPSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)[O-]	ZINC000630326387	350823946	/nfs/dbraw/zinc/82/39/46/350823946.db2.gz	PHTBRIHDDAHCJD-GXTWGEPZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC1CCN(C(=O)CC2(CC(=O)[O-])CCCCC2)CC1	ZINC000634904521	351602267	/nfs/dbraw/zinc/60/22/67/351602267.db2.gz	RKWLESWXGYVRTG-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634914986	351604162	/nfs/dbraw/zinc/60/41/62/351604162.db2.gz	KCNSFBXAZMESMM-HIFRSBDPSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000634927055	351604822	/nfs/dbraw/zinc/60/48/22/351604822.db2.gz	HGRLJBXHCUPZBD-CQSZACIVSA-N	-1	0	293.407	3.226	20	30		CGEDRM
Cc1ccc(F)c(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000342079346	216212161	/nfs/dbraw/zinc/21/21/61/216212161.db2.gz	CXNDTYSSOONOFL-UTCJRWHESA-N	-1	0	282.274	3.269	20	30		CGEDRM
CC(C)C[C@@H](CNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000094703536	370168530	/nfs/dbraw/zinc/16/85/30/370168530.db2.gz	ADYXOKZLPQJQAL-JTQLQIEISA-N	-1	0	280.755	3.370	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cscn2)s1	ZINC000430583764	372390754	/nfs/dbraw/zinc/39/07/54/372390754.db2.gz	NFWIJIHXICRKHY-MRVPVSSYSA-N	-1	0	291.401	3.387	20	30		CGEDRM
CC[C@@H](C)CO[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000293815465	372489778	/nfs/dbraw/zinc/48/97/78/372489778.db2.gz	UPQXHQHKMYVHBL-LLVKDONJSA-N	-1	0	292.354	3.069	20	30		CGEDRM
CCc1ccc([C@H](C#N)NC(=O)c2c([O-])cccc2F)cc1	ZINC000436729220	372840076	/nfs/dbraw/zinc/84/00/76/372840076.db2.gz	GIYBZWGBGZQGKW-AWEZNQCLSA-N	-1	0	298.317	3.088	20	30		CGEDRM
C=CC[C@H](CC)N=c1nc(-c2ccccc2)[n-]s1	ZINC000440637225	372990202	/nfs/dbraw/zinc/99/02/02/372990202.db2.gz	HEHDXEXHFMKUIS-LBPRGKRZSA-N	-1	0	259.378	3.394	20	30		CGEDRM
N#Cc1cscc1C(=O)Nc1cc(Cl)ccc1[O-]	ZINC000335971079	375581054	/nfs/dbraw/zinc/58/10/54/375581054.db2.gz	RHDADQLCQMCXCP-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000192862188	375795377	/nfs/dbraw/zinc/79/53/77/375795377.db2.gz	HHUHHHKFPUVJFL-UKRRQHHQSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000539454280	376313482	/nfs/dbraw/zinc/31/34/82/376313482.db2.gz	UXWSXHZRQLECRW-SNVBAGLBSA-N	-1	0	296.440	3.124	20	30		CGEDRM
C=C(C)COc1cccc(NC(=O)CCCCC(=O)[O-])c1	ZINC000263274073	190067394	/nfs/dbraw/zinc/06/73/94/190067394.db2.gz	IPIOMGREFBQJOK-UHFFFAOYSA-N	-1	0	291.347	3.225	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1	ZINC000236583241	376665889	/nfs/dbraw/zinc/66/58/89/376665889.db2.gz	WCKZEWZOKFQPID-UHFFFAOYSA-N	-1	0	287.275	3.181	20	30		CGEDRM
C=CCN(Cc1ccc(Cl)s1)[C@H](C(=O)[O-])C1CC1	ZINC000578634763	378087423	/nfs/dbraw/zinc/08/74/23/378087423.db2.gz	IIPSDEQONGHQGS-LBPRGKRZSA-N	-1	0	285.796	3.253	20	30		CGEDRM
C=C(C)CN(C)C(=O)c1cc(Cl)c(O)c(OCC)c1	ZINC000358014260	381287696	/nfs/dbraw/zinc/28/76/96/381287696.db2.gz	YBVNNMQHRKJWFX-UHFFFAOYSA-N	-1	0	283.755	3.092	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nccc3ccccc32)s1	ZINC000361518017	381784216	/nfs/dbraw/zinc/78/42/16/381784216.db2.gz	HCGYXUIJIIJLNZ-CYBMUJFWSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#CC(=C([O-])c1ocnc1C1CC1)c1nc(C2CC2)cs1	ZINC000647379760	392711553	/nfs/dbraw/zinc/71/15/53/392711553.db2.gz	LDYJCGHTWCMTMA-SNVBAGLBSA-N	-1	0	299.355	3.376	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000669434000	543106457	/nfs/dbraw/zinc/10/64/57/543106457.db2.gz	DGFWFZMAIHENIY-TZMCWYRMSA-N	-1	0	287.359	3.194	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000041548178	397612071	/nfs/dbraw/zinc/61/20/71/397612071.db2.gz	ILSPTINCSJXGCG-JTQLQIEISA-N	-1	0	266.256	3.219	20	30		CGEDRM
C=CCCS(=O)(=O)[N-]c1cnc(-c2ccccc2)s1	ZINC000678138550	543487920	/nfs/dbraw/zinc/48/79/20/543487920.db2.gz	YLAIPIWGCKJAAQ-UHFFFAOYSA-N	-1	0	294.401	3.128	20	30		CGEDRM
C=C(C)C[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-]	ZINC000652430679	418966792	/nfs/dbraw/zinc/96/67/92/418966792.db2.gz	XHHRHAFGUOZSPA-UHFFFAOYSA-N	-1	0	253.729	3.046	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000659165872	418963305	/nfs/dbraw/zinc/96/33/05/418963305.db2.gz	AVMDTKQIQQUOJO-OLZOCXBDSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659167901	418963516	/nfs/dbraw/zinc/96/35/16/418963516.db2.gz	RFZNBMRPOVLSER-WCQYABFASA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000653328668	419026255	/nfs/dbraw/zinc/02/62/55/419026255.db2.gz	LFJCRPVCVPAAQG-TUKIKUTGSA-N	-1	0	287.359	3.018	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C1C(C)(C)C1(C)C	ZINC000080250428	260178880	/nfs/dbraw/zinc/17/88/80/260178880.db2.gz	WLMWJGSICZCQTF-UHFFFAOYSA-N	-1	0	295.404	3.322	20	30		CGEDRM
Cc1ncccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178318098	261385844	/nfs/dbraw/zinc/38/58/44/261385844.db2.gz	QIVBFJYTOIPJSX-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000287118413	263101012	/nfs/dbraw/zinc/10/10/12/263101012.db2.gz	YPNVKEWJSKBGSK-LBPRGKRZSA-N	-1	0	270.691	3.063	20	30		CGEDRM
C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1C	ZINC000330752668	264029970	/nfs/dbraw/zinc/02/99/70/264029970.db2.gz	COZIKIICLBYTKN-RULNRJAQSA-N	-1	0	292.335	3.430	20	30		CGEDRM
CCc1ccc(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)c(O)c1	ZINC000331227269	264150715	/nfs/dbraw/zinc/15/07/15/264150715.db2.gz	DQJGHERZRUSXNX-GXTWGEPZSA-N	-1	0	291.391	3.464	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080457977	264395656	/nfs/dbraw/zinc/39/56/56/264395656.db2.gz	ZICHURSXURJFKY-JTQLQIEISA-N	-1	0	289.360	3.361	20	30		CGEDRM
C=CCN(C(=O)N=c1[n-]nc(C(CC)CC)s1)C1CC1	ZINC000357387001	266288053	/nfs/dbraw/zinc/28/80/53/266288053.db2.gz	DQZQGBMTZQWOSO-UHFFFAOYSA-N	-1	0	294.424	3.046	20	30		CGEDRM
C=CCCCN=c1[n-]nc(Cc2ccc(F)cc2)s1	ZINC000558946626	327133993	/nfs/dbraw/zinc/13/39/93/327133993.db2.gz	OSWCKHSWDRBVFJ-UHFFFAOYSA-N	-1	0	277.368	3.068	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000041547028	329566195	/nfs/dbraw/zinc/56/61/95/329566195.db2.gz	RSKKCUWQAYWIHZ-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000262835701	330034907	/nfs/dbraw/zinc/03/49/07/330034907.db2.gz	CAWQNCVIKCXGKG-NWDGAFQWSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000263527429	330058884	/nfs/dbraw/zinc/05/88/84/330058884.db2.gz	KPUMZMXPDIUXAE-ZDUSSCGKSA-N	-1	0	289.375	3.178	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccco2)n1	ZINC000080454947	330131298	/nfs/dbraw/zinc/13/12/98/330131298.db2.gz	PZPAIBBKZJUNGE-SECBINFHSA-N	-1	0	260.318	3.350	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@@H](C)C3)n1	ZINC000453596721	331135654	/nfs/dbraw/zinc/13/56/54/331135654.db2.gz	XSOBJPDHJRUXQR-GWCFXTLKSA-N	-1	0	298.367	3.265	20	30		CGEDRM
C=CCC[C@@H](C(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1	ZINC000488896644	332032676	/nfs/dbraw/zinc/03/26/76/332032676.db2.gz	LGXPSQVTVWXRNC-MRXNPFEDSA-N	-1	0	295.386	3.204	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccsn2)n1	ZINC000575878025	335127338	/nfs/dbraw/zinc/12/73/38/335127338.db2.gz	MXTQGQGGTABNTD-MRVPVSSYSA-N	-1	0	277.374	3.213	20	30		CGEDRM
[O-]/C(CCC1CCOCC1)=N/Cc1cn2ccsc2n1	ZINC000329599722	534765465	/nfs/dbraw/zinc/76/54/65/534765465.db2.gz	DQBVVMSMDUPXRP-UHFFFAOYSA-N	-1	0	293.392	3.059	20	30		CGEDRM
C=CCOc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000192925047	526919643	/nfs/dbraw/zinc/91/96/43/526919643.db2.gz	QMACRLYKYHDQBE-UHFFFAOYSA-N	-1	0	297.310	3.202	20	30		CGEDRM
CCCn1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000358682649	528848691	/nfs/dbraw/zinc/84/86/91/528848691.db2.gz	LYXHBAYTMULTDK-HWKANZROSA-N	-1	0	281.315	3.033	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC(C(C)C)CC2)n1	ZINC000729633235	571926499	/nfs/dbraw/zinc/92/64/99/571926499.db2.gz	WAAKMYAQRYKTJR-UHFFFAOYSA-N	-1	0	262.357	3.105	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730148711	571951844	/nfs/dbraw/zinc/95/18/44/571951844.db2.gz	KDQJZMRSQCJBKW-AATRIKPKSA-N	-1	0	288.324	3.351	20	30		CGEDRM
Cc1cc(C#N)ccc1OCc1ccc(F)cc1C(=O)[O-]	ZINC000738312993	572371775	/nfs/dbraw/zinc/37/17/75/572371775.db2.gz	CRMSTHGADGGSMR-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1	ZINC000738357632	572372192	/nfs/dbraw/zinc/37/21/92/572372192.db2.gz	LIIDSOBDZWNQCM-HYXAFXHYSA-N	-1	0	270.284	3.491	20	30		CGEDRM
N#CCCSc1ccccc1[N-]C(=S)NC1CC1	ZINC000730953133	572385998	/nfs/dbraw/zinc/38/59/98/572385998.db2.gz	PDQAHBOZNFHKJI-UHFFFAOYSA-N	-1	0	277.418	3.141	20	30		CGEDRM
Cc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1C	ZINC000731153036	572398154	/nfs/dbraw/zinc/39/81/54/572398154.db2.gz	WKLBZZYBZQFCIW-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
N#Cc1cnc(Oc2cccc(CC(=O)[O-])c2)c(Cl)c1	ZINC000739142521	572402571	/nfs/dbraw/zinc/40/25/71/572402571.db2.gz	OPBZVNRXVUTNIF-UHFFFAOYSA-N	-1	0	288.690	3.026	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccnc3ccccc23)c1	ZINC000731311708	572406072	/nfs/dbraw/zinc/40/60/72/572406072.db2.gz	GSOGGZAPFUTFBK-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ccccc1Cl	ZINC000740619375	572448793	/nfs/dbraw/zinc/44/87/93/572448793.db2.gz	DLKCERAWOMUNRN-SECBINFHSA-N	-1	0	281.743	3.176	20	30		CGEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cccc(Cl)c1	ZINC000740620633	572449067	/nfs/dbraw/zinc/44/90/67/572449067.db2.gz	ROPILXFGIBEVHA-SECBINFHSA-N	-1	0	281.743	3.176	20	30		CGEDRM
C[C@]1(c2ccccc2)C[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000741464396	572501036	/nfs/dbraw/zinc/50/10/36/572501036.db2.gz	OMFXKLKVZBCFAQ-KOJPMJJUSA-N	-1	0	296.326	3.450	20	30		CGEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2ccsc2)c1	ZINC000733206517	572544456	/nfs/dbraw/zinc/54/44/56/572544456.db2.gz	MNKMECCAHOQLRQ-SNAWJCMRSA-N	-1	0	288.324	3.108	20	30		CGEDRM
C=CCCO[C@H](C)c1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000736102468	572768020	/nfs/dbraw/zinc/76/80/20/572768020.db2.gz	JKLRKSJCWFIYSY-SNVBAGLBSA-N	-1	0	288.303	3.089	20	30		CGEDRM
C=CCCCOC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000736102739	572768115	/nfs/dbraw/zinc/76/81/15/572768115.db2.gz	VLJHMGZCDCNAPD-LLVKDONJSA-N	-1	0	294.372	3.375	20	30		CGEDRM
C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccs1	ZINC000736662928	572803431	/nfs/dbraw/zinc/80/34/31/572803431.db2.gz	VBDVVPOWSDGZGL-QMTHXVAHSA-N	-1	0	286.356	3.096	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)CCCC3)c1	ZINC000748003446	572957293	/nfs/dbraw/zinc/95/72/93/572957293.db2.gz	VFUCQGLHIDNLRJ-UHFFFAOYSA-N	-1	0	292.338	3.395	20	30		CGEDRM
[O-]c1c(F)cc(C=NNCc2ccc(F)cc2F)cc1F	ZINC000749856004	573047115	/nfs/dbraw/zinc/04/71/15/573047115.db2.gz	ZORMQYXRWUHGQN-UHFFFAOYSA-N	-1	0	298.239	3.072	20	30		CGEDRM
CC1(C)CCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749930430	573062710	/nfs/dbraw/zinc/06/27/10/573062710.db2.gz	KPCSMIHCYQOFEG-NCPSJORJSA-N	-1	0	262.309	3.298	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c(F)c1	ZINC000126588063	597670032	/nfs/dbraw/zinc/67/00/32/597670032.db2.gz	ZVRSWJXSQHTLNT-FNORWQNLSA-N	-1	0	295.269	3.292	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000077166045	599864730	/nfs/dbraw/zinc/86/47/30/599864730.db2.gz	KTJFELKTRIUGFZ-XBXARRHUSA-N	-1	0	282.295	3.295	20	30		CGEDRM
CCC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000828609782	600742932	/nfs/dbraw/zinc/74/29/32/600742932.db2.gz	YWXMQNRRDGNXEK-AWEZNQCLSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C=CCOc1ccc(OC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000825698280	600932657	/nfs/dbraw/zinc/93/26/57/600932657.db2.gz	ARVVFROUXXCJCW-UHFFFAOYSA-N	-1	0	298.294	3.169	20	30		CGEDRM
CCC(CC)CN(CCC#N)Cc1occc1C(=O)[O-]	ZINC000828859199	601017595	/nfs/dbraw/zinc/01/75/95/601017595.db2.gz	SKMINJKFKNTPAG-UHFFFAOYSA-N	-1	0	278.352	3.130	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000163120614	601096393	/nfs/dbraw/zinc/09/63/93/601096393.db2.gz	ABTFCGIVWIMTTD-LLVKDONJSA-N	-1	0	290.363	3.135	20	30		CGEDRM
C=C(C)[C@H]1CC=C(COC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000825642164	601194532	/nfs/dbraw/zinc/19/45/32/601194532.db2.gz	IXSNSLBDFBXJGJ-KBPBESRZSA-N	-1	0	295.379	3.124	20	30		CGEDRM
C=CCc1ccccc1OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825705308	601236205	/nfs/dbraw/zinc/23/62/05/601236205.db2.gz	BSLOSZOAFVTXAJ-ZIAGYGMSSA-N	-1	0	288.343	3.212	20	30		CGEDRM
N#Cc1nc(Nc2ccc(NC(=O)[O-])cc2)ccc1Cl	ZINC000833078104	601249810	/nfs/dbraw/zinc/24/98/10/601249810.db2.gz	CJAVJGPCVBHPEB-UHFFFAOYSA-N	-1	0	288.694	3.440	20	30		CGEDRM
Cc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F	ZINC000832949204	601298030	/nfs/dbraw/zinc/29/80/30/601298030.db2.gz	PUPOJDDXCHNRPU-OAHLLOKOSA-N	-1	0	284.290	3.244	20	30		CGEDRM
O=C([O-])[C@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1	ZINC000833167406	601416488	/nfs/dbraw/zinc/41/64/88/601416488.db2.gz	NBHVSYDJZFJYCJ-MRXNPFEDSA-N	-1	0	299.757	3.107	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)o1	ZINC000830229390	601510896	/nfs/dbraw/zinc/51/08/96/601510896.db2.gz	SAJPEYIEQJHQQD-UTCJRWHESA-N	-1	0	260.245	3.029	20	30		CGEDRM
Cc1cc(COc2cc(C#N)ccc2C)oc1C(=O)[O-]	ZINC000232309339	602306898	/nfs/dbraw/zinc/30/68/98/602306898.db2.gz	AIMPNMJTIBSTGY-UHFFFAOYSA-N	-1	0	271.272	3.045	20	30		CGEDRM
CN(C(=O)[O-])c1ccc(OCc2ccc(C#N)cc2)cc1	ZINC000827920820	603157883	/nfs/dbraw/zinc/15/78/83/603157883.db2.gz	BGTICYMEPXKMJR-UHFFFAOYSA-N	-1	0	282.299	3.251	20	30		CGEDRM
Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1NC(=O)[O-]	ZINC000830230760	603256038	/nfs/dbraw/zinc/25/60/38/603256038.db2.gz	PGWMQUHDEHTQDY-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
N#Cc1ccc(OCCOc2cccc(NC(=O)[O-])c2)cc1	ZINC000831141130	603634251	/nfs/dbraw/zinc/63/42/51/603634251.db2.gz	DLUYXUUTDLVKIS-UHFFFAOYSA-N	-1	0	298.298	3.106	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)c([O-])c1	ZINC000899364148	620660339	/nfs/dbraw/zinc/66/03/39/620660339.db2.gz	YWWNSQOJVZOYGR-SOFGYWHQSA-N	-1	0	282.343	3.208	20	30		CGEDRM
N#CC1(c2nc(-c3cccc(NC(=O)[O-])c3)no2)CCCC1	ZINC000831076575	603771266	/nfs/dbraw/zinc/77/12/66/603771266.db2.gz	PEGXZNMIXPXBGY-UHFFFAOYSA-N	-1	0	298.302	3.162	20	30		CGEDRM
O=C([O-])N1CCc2c1cccc2N=Cc1ccccc1O	ZINC000832070172	603913778	/nfs/dbraw/zinc/91/37/78/603913778.db2.gz	YQXKHOUKZCZZRK-UHFFFAOYSA-N	-1	0	282.299	3.183	20	30		CGEDRM
CC(C)(C)OCCSCc1cccc(C(=O)[O-])c1C#N	ZINC000833446245	604538045	/nfs/dbraw/zinc/53/80/45/604538045.db2.gz	ZROCWOGCKQKYLX-UHFFFAOYSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cn1	ZINC000827186476	604628843	/nfs/dbraw/zinc/62/88/43/604628843.db2.gz	KLKWDDWBYOUCHJ-FPYGCLRLSA-N	-1	0	284.315	3.058	20	30		CGEDRM
CC(N=Nc1c(F)cccc1F)c1ccc(C(=O)[O-])cc1	ZINC000825804279	604641722	/nfs/dbraw/zinc/64/17/22/604641722.db2.gz	CTMOUXULUAXLOA-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CC(=CN=Nc1ccc(C(=O)[O-])cn1)Cc1ccccc1	ZINC000763367606	604667672	/nfs/dbraw/zinc/66/76/72/604667672.db2.gz	CTRUMASJVRQWEX-IUBBXMLTSA-N	-1	0	281.315	3.281	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1c1ccccc1	ZINC000763372363	604669268	/nfs/dbraw/zinc/66/92/68/604669268.db2.gz	WURGAMCXOCKVRS-RISCZKNCSA-N	-1	0	295.342	3.371	20	30		CGEDRM
N#Cc1ccc(OCc2ccsc2C(=O)[O-])c(F)c1	ZINC000232362531	604760529	/nfs/dbraw/zinc/76/05/29/604760529.db2.gz	MIWMAPYTBCNQQQ-UHFFFAOYSA-N	-1	0	277.276	3.036	20	30		CGEDRM
C=CCCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1	ZINC000833372873	604818862	/nfs/dbraw/zinc/81/88/62/604818862.db2.gz	ACGUTXNNNRUQGT-UHFFFAOYSA-N	-1	0	299.120	3.019	20	30		CGEDRM
Cc1oc(/C=C/C(=O)c2coc(C(C)C)n2)cc1C(=O)[O-]	ZINC000899371930	620678598	/nfs/dbraw/zinc/67/85/98/620678598.db2.gz	SYWYNMVOYNIDRE-SNAWJCMRSA-N	-1	0	289.287	3.294	20	30		CGEDRM
C=CCN(C(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CC1	ZINC000162292719	604913689	/nfs/dbraw/zinc/91/36/89/604913689.db2.gz	CPYHLLWUFCAIEC-UHFFFAOYSA-N	-1	0	294.376	3.245	20	30		CGEDRM
C=CCC[C@@H](C)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833373699	604991877	/nfs/dbraw/zinc/99/18/77/604991877.db2.gz	YXDINUJATKTXAG-GFCCVEGCSA-N	-1	0	276.332	3.215	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cccs1	ZINC000812442111	605098639	/nfs/dbraw/zinc/09/86/39/605098639.db2.gz	PVYNOWWRJCXAPI-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
COc1ccc(C)cc1C=NNc1ccccc1C(=O)[O-]	ZINC000812446135	605100731	/nfs/dbraw/zinc/10/07/31/605100731.db2.gz	OONMBKDQDKCPFH-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833369281	605281494	/nfs/dbraw/zinc/28/14/94/605281494.db2.gz	ONVRAALKJJJYGA-UHFFFAOYSA-N	-1	0	295.314	3.346	20	30		CGEDRM
N#Cc1cccc(C(=O)OCc2cccc(NC(=O)[O-])c2)c1	ZINC000831146201	605537518	/nfs/dbraw/zinc/53/75/18/605537518.db2.gz	KWSQSYSAGCSYOC-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000833387016	605593292	/nfs/dbraw/zinc/59/32/92/605593292.db2.gz	JYMTZUKWFUSGAZ-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833361811	605600854	/nfs/dbraw/zinc/60/08/54/605600854.db2.gz	NDMLWPWDCOGGPM-UHFFFAOYSA-N	-1	0	274.320	3.299	20	30		CGEDRM
N#Cc1ccc(NCc2cccc(NC(=O)[O-])c2)cc1	ZINC000833975292	605633386	/nfs/dbraw/zinc/63/33/86/605633386.db2.gz	MLNVNERQYRURPX-UHFFFAOYSA-N	-1	0	267.288	3.260	20	30		CGEDRM
C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)[C@H]1C	ZINC000781128351	605783453	/nfs/dbraw/zinc/78/34/53/605783453.db2.gz	QOKUOIVTEOPTJO-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])N1CCC[C@@H](CN=Nc2cccc3ncccc23)C1	ZINC000834101782	606051756	/nfs/dbraw/zinc/05/17/56/606051756.db2.gz	ZIPYFLIJHKKWBV-LBPRGKRZSA-N	-1	0	298.346	3.023	20	30		CGEDRM
O=C(CCc1ccsc1)[N-]S(=O)(=O)c1ccccc1	ZINC000042232246	620701516	/nfs/dbraw/zinc/70/15/16/620701516.db2.gz	ZGPGGWDSOOWUGH-UHFFFAOYSA-N	-1	0	295.385	3.026	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1O	ZINC000255065991	617895552	/nfs/dbraw/zinc/89/55/52/617895552.db2.gz	QUPGRHABNSHOLI-DJWKRKHSSA-N	-1	0	288.274	3.142	20	30		CGEDRM
C#CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1	ZINC000804835373	617864060	/nfs/dbraw/zinc/86/40/60/617864060.db2.gz	OMHKTNNYTAZPRE-UHFFFAOYSA-N	-1	0	299.757	3.321	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000900319562	620780245	/nfs/dbraw/zinc/78/02/45/620780245.db2.gz	BWRAXVWXINDJAO-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](CCC)C(=O)[O-])c1	ZINC000900355554	620781856	/nfs/dbraw/zinc/78/18/56/620781856.db2.gz	PENWMMJOURSVEM-ZDUSSCGKSA-N	-1	0	276.336	3.095	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCCCCC2)c1	ZINC000022727267	618356429	/nfs/dbraw/zinc/35/64/29/618356429.db2.gz	QYGMIHXPICRTIN-XNTDXEJSSA-N	-1	0	262.309	3.442	20	30		CGEDRM
CCOC(=O)c1ccc(/C=C\C(=O)c2ccccc2[O-])o1	ZINC000255438306	618494404	/nfs/dbraw/zinc/49/44/04/618494404.db2.gz	PYVBRQFZUHHPNY-CLFYSBASSA-N	-1	0	286.283	3.058	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2C#N)n1	ZINC000255542558	618661331	/nfs/dbraw/zinc/66/13/31/618661331.db2.gz	XGWOJGSIOVSSAG-AFNCTOJWSA-N	-1	0	293.351	3.213	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)c([O-])c1	ZINC000176956401	618769810	/nfs/dbraw/zinc/76/98/10/618769810.db2.gz	RQPFPCJEFGUCOJ-FNORWQNLSA-N	-1	0	270.332	3.374	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1	ZINC000179740011	618799738	/nfs/dbraw/zinc/79/97/38/618799738.db2.gz	XWMUKWHXLVKNFA-UHFFFAOYSA-N	-1	0	296.113	3.151	20	30		CGEDRM
Cc1cncc(C/N=C\c2cc(Cl)ccc2O)c1	ZINC000255882461	618844121	/nfs/dbraw/zinc/84/41/21/618844121.db2.gz	NUDOCDFFNFHOBL-MFOYZWKCSA-N	-1	0	260.724	3.368	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1F	ZINC000098084925	618917479	/nfs/dbraw/zinc/91/74/79/618917479.db2.gz	GXTYEBAPAVBLBJ-QHHAFSJGSA-N	-1	0	288.274	3.142	20	30		CGEDRM
Cc1cnc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000175894712	618971116	/nfs/dbraw/zinc/97/11/16/618971116.db2.gz	ZAVHZNKPSWEGSH-DUJAKZANSA-N	-1	0	291.332	3.245	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000312869148	619153738	/nfs/dbraw/zinc/15/37/38/619153738.db2.gz	OJMSZHNJHMWXDW-ZIAGYGMSSA-N	-1	0	283.412	3.306	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1	ZINC000048518582	619502316	/nfs/dbraw/zinc/50/23/16/619502316.db2.gz	FTDZRGKKCPWDLW-UHFFFAOYSA-N	-1	0	295.404	3.195	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)s1)C1CC1	ZINC000048518288	619502589	/nfs/dbraw/zinc/50/25/89/619502589.db2.gz	YAWLBMLIEKNFFW-FPLPWBNLSA-N	-1	0	285.390	3.058	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1	ZINC000048518778	619503128	/nfs/dbraw/zinc/50/31/28/619503128.db2.gz	DSWIFAPJZZPOJL-UHFFFAOYSA-N	-1	0	283.393	3.330	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1	ZINC000048518780	619503234	/nfs/dbraw/zinc/50/32/34/619503234.db2.gz	XTDSRCLUVUAXSA-UHFFFAOYSA-N	-1	0	283.393	3.475	20	30		CGEDRM
C=C1CCC(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1	ZINC000909453665	619744239	/nfs/dbraw/zinc/74/42/39/619744239.db2.gz	HUQJHFICCPJWPQ-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
CC1(C)CCC/C(=C\c2ccc([N+](=O)[O-])c([O-])c2)C1=O	ZINC000263634153	620358378	/nfs/dbraw/zinc/35/83/78/620358378.db2.gz	MADBMYATXOXNOZ-DHZHZOJOSA-N	-1	0	275.304	3.463	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCCc3cccnc32)c1	ZINC000899227745	620627217	/nfs/dbraw/zinc/62/72/17/620627217.db2.gz	RANDRYBMKOASTA-KPYNCUPYSA-N	-1	0	297.314	3.192	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC000901785984	621024552	/nfs/dbraw/zinc/02/45/52/621024552.db2.gz	MUUITTCNZDHJEF-CMDGGOBGSA-N	-1	0	291.347	3.196	20	30		CGEDRM
CCCCCCCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC000902134631	621151091	/nfs/dbraw/zinc/15/10/91/621151091.db2.gz	PDPBIVQNACUITI-FPLPWBNLSA-N	-1	0	279.336	3.078	20	30		CGEDRM
C=CCN(CC=C)Cc1occ(C(F)(F)F)c1C(=O)[O-]	ZINC000903882517	621826114	/nfs/dbraw/zinc/82/61/14/621826114.db2.gz	PAADKYOMVNYEBB-UHFFFAOYSA-N	-1	0	289.253	3.171	20	30		CGEDRM
CCO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000905475600	622076730	/nfs/dbraw/zinc/07/67/30/622076730.db2.gz	DJNODEXPSJIVPF-LBPRGKRZSA-N	-1	0	294.326	3.271	20	30		CGEDRM
C[C@H]1[C@@](C)(CN=Nc2ccc(CC(=O)[O-])cc2)[C@@]1(F)Cl	ZINC000905483406	622077175	/nfs/dbraw/zinc/07/71/75/622077175.db2.gz	HLGUTDIXKXIBHA-CUOATXAZSA-N	-1	0	298.745	3.272	20	30		CGEDRM
Cc1ccsc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000149022871	622114426	/nfs/dbraw/zinc/11/44/26/622114426.db2.gz	CNDCPTBUOWJFGJ-SNAWJCMRSA-N	-1	0	260.314	3.364	20	30		CGEDRM
C=CC1(CC(=O)N2C3CCC2(C(=O)[O-])CC3)CCCCC1	ZINC000907740680	622308757	/nfs/dbraw/zinc/30/87/57/622308757.db2.gz	CIWCGSCQOAGIAD-UHFFFAOYSA-N	-1	0	291.391	3.121	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)C1	ZINC000910701974	622498887	/nfs/dbraw/zinc/49/88/87/622498887.db2.gz	ZKUSWYADZUQJQK-UHFFFAOYSA-N	-1	0	294.376	3.260	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2scnc2C)c([O-])c1	ZINC000156615960	622830459	/nfs/dbraw/zinc/83/04/59/622830459.db2.gz	FLIYBSDJJIZHRQ-AATRIKPKSA-N	-1	0	275.329	3.062	20	30		CGEDRM
CC(C)=CCC[C@H](C)CCN=Nc1nnc(C)c(=O)[n-]1	ZINC000916282765	624138448	/nfs/dbraw/zinc/13/84/48/624138448.db2.gz	OMKSOORITJIAFE-NSHDSACASA-N	-1	0	277.372	3.056	20	30		CGEDRM
O=C(/C=C\c1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000033447969	624326540	/nfs/dbraw/zinc/32/65/40/624326540.db2.gz	OUWVPQJYFAJQIA-ALCCZGGFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C(C/N=C/c1cc(Cl)ccc1O)OC1CCCCC1	ZINC000175066499	624611019	/nfs/dbraw/zinc/61/10/19/624611019.db2.gz	WLWSBOOKGDFLNN-RQZCQDPDSA-N	-1	0	295.766	3.340	20	30		CGEDRM
O=C1c2cccc(O)c2C/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000175323592	624630036	/nfs/dbraw/zinc/63/00/36/624630036.db2.gz	FSSJVPQFIIWTRR-RUDMXATFSA-N	-1	0	288.249	3.198	20	30		CGEDRM
C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179731368	624679943	/nfs/dbraw/zinc/67/99/43/624679943.db2.gz	UUTXUJRBZOGPSQ-DHZHZOJOSA-N	-1	0	296.301	3.445	20	30		CGEDRM
Cc1cncc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)c1	ZINC000184770350	625270724	/nfs/dbraw/zinc/27/07/24/625270724.db2.gz	DQRXPVOVTNICBT-NSCUHMNNSA-N	-1	0	275.254	3.270	20	30		CGEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)C(CC)CC)cc1	ZINC000073838332	626070593	/nfs/dbraw/zinc/07/05/93/626070593.db2.gz	MWHIWSLTDCURFO-UHFFFAOYSA-N	-1	0	283.393	3.072	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)nc1	ZINC000753539939	626454566	/nfs/dbraw/zinc/45/45/66/626454566.db2.gz	YQEQVJOVMXHWJP-NSHDSACASA-N	-1	0	293.351	3.490	20	30		CGEDRM
O=C([O-])c1csc(C=NNCCCc2ccccc2)c1	ZINC000755696598	626637326	/nfs/dbraw/zinc/63/73/26/626637326.db2.gz	RIPXIYJVPRZDRK-UHFFFAOYSA-N	-1	0	288.372	3.003	20	30		CGEDRM
COc1cc(F)cc(NN=Cc2cc(C(=O)[O-])cs2)c1	ZINC000755769890	626644428	/nfs/dbraw/zinc/64/44/28/626644428.db2.gz	QHKBTLGHGMUJAH-UHFFFAOYSA-N	-1	0	294.307	3.040	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC2(CCC2)C1	ZINC000756898948	626739947	/nfs/dbraw/zinc/73/99/47/626739947.db2.gz	IUJRRUTZWTTZEY-UHFFFAOYSA-N	-1	0	274.320	3.125	20	30		CGEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1	ZINC000757475289	626782055	/nfs/dbraw/zinc/78/20/55/626782055.db2.gz	ITFHBEYECUCOFE-UXBLZVDNSA-N	-1	0	296.322	3.383	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758109491	626827304	/nfs/dbraw/zinc/82/73/04/626827304.db2.gz	YXEJNWYPOICWLG-UHFFFAOYSA-N	-1	0	296.286	3.008	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000805219039	627010911	/nfs/dbraw/zinc/01/09/11/627010911.db2.gz	SXQNTFVAQBUDHG-UHFFFAOYSA-N	-1	0	292.335	3.167	20	30		CGEDRM
Cc1ccc(C2CC(N=Nc3ccc(C(=O)[O-])cn3)C2)cc1	ZINC000763368967	627154240	/nfs/dbraw/zinc/15/42/40/627154240.db2.gz	RIGIEMBRZJNCMX-UHFFFAOYSA-N	-1	0	295.342	3.434	20	30		CGEDRM
CC(=NNc1ccc2n[nH]cc2c1)c1sccc1[O-]	ZINC000769797452	627578741	/nfs/dbraw/zinc/57/87/41/627578741.db2.gz	FZUZWIWNBAFRCB-UHFFFAOYSA-N	-1	0	272.333	3.166	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(F)c1	ZINC000772806178	627824921	/nfs/dbraw/zinc/82/49/21/627824921.db2.gz	KMXTZENPADTKJC-HYXAFXHYSA-N	-1	0	285.249	3.438	20	30		CGEDRM
CC(=NNc1cc(F)c(F)cc1F)c1ccc(C(=O)[O-])o1	ZINC000773052827	627846879	/nfs/dbraw/zinc/84/68/79/627846879.db2.gz	GCFUYXIFJOYWSE-UHFFFAOYSA-N	-1	0	298.220	3.231	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc3c(c2)CCO3)c1	ZINC000774114402	627947706	/nfs/dbraw/zinc/94/77/06/627947706.db2.gz	KUUYSRXJSHPTMI-XQRVVYSFSA-N	-1	0	294.306	3.216	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC1CCCC1)CCC2	ZINC000774597214	628007766	/nfs/dbraw/zinc/00/77/66/628007766.db2.gz	QCUKPIFWUWFOSA-UHFFFAOYSA-N	-1	0	277.320	3.286	20	30		CGEDRM
CCN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)C#N	ZINC000775655787	628120093	/nfs/dbraw/zinc/12/00/93/628120093.db2.gz	LHNZHQZODJUEHS-VIFPVBQESA-N	-1	0	270.735	3.166	20	30		CGEDRM
CC(C)CCN(CCC#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000775714568	628128237	/nfs/dbraw/zinc/12/82/37/628128237.db2.gz	SUFCVELHSAQHFO-UHFFFAOYSA-N	-1	0	294.782	3.448	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000776191446	628179098	/nfs/dbraw/zinc/17/90/98/628179098.db2.gz	HVBYRKNBSLCKDF-UTCJRWHESA-N	-1	0	298.298	3.154	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1cc(F)cc(F)c1[O-]	ZINC000777455507	628272558	/nfs/dbraw/zinc/27/25/58/628272558.db2.gz	FVYQCUCBUAKWRV-UHFFFAOYSA-N	-1	0	283.196	3.363	20	30		CGEDRM
CCc1cccnc1C(C)=NNc1cccc(C(=O)[O-])c1	ZINC000779753684	628426573	/nfs/dbraw/zinc/42/65/73/628426573.db2.gz	SEOPYTIORVCYHH-UHFFFAOYSA-N	-1	0	283.331	3.178	20	30		CGEDRM
C[C@H]1CC(C(=O)Nc2cc(C#N)ccc2[O-])C[C@H](C)C1	ZINC000780605635	628504379	/nfs/dbraw/zinc/50/43/79/628504379.db2.gz	WSKONTUQVIZSTN-GHMZBOCLSA-N	-1	0	272.348	3.275	20	30		CGEDRM
Cc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)c(C#N)c1	ZINC000874969080	634661248	/nfs/dbraw/zinc/66/12/48/634661248.db2.gz	BPVVTZBWGUPHQS-UHFFFAOYSA-N	-1	0	265.268	3.044	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000781109007	628537021	/nfs/dbraw/zinc/53/70/21/628537021.db2.gz	WKLPTQYHXHUKKV-YWEYNIOJSA-N	-1	0	295.269	3.292	20	30		CGEDRM
CCON=C(C)c1cc(Br)cc(F)c1[O-]	ZINC000783819917	628748862	/nfs/dbraw/zinc/74/88/62/628748862.db2.gz	BPGBCSYZFLNRHX-UHFFFAOYSA-N	-1	0	276.105	3.054	20	30		CGEDRM
CC[C@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000783862131	628752344	/nfs/dbraw/zinc/75/23/44/628752344.db2.gz	IJJRZJWGWXJLEC-NWDGAFQWSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000789802299	629168498	/nfs/dbraw/zinc/16/84/98/629168498.db2.gz	BPTBXMZYOVYLOU-FYJFLYSWSA-N	-1	0	285.372	3.484	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000862394764	629360870	/nfs/dbraw/zinc/36/08/70/629360870.db2.gz	QKJURSOFRRVBNI-UHFFFAOYSA-N	-1	0	290.388	3.449	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@H](C(C)(C)C)CC1)C(=O)[O-]	ZINC000793056874	629406677	/nfs/dbraw/zinc/40/66/77/629406677.db2.gz	YFCWQGWTYIDYQG-AAEUAGOBSA-N	-1	0	268.401	3.422	20	30		CGEDRM
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000119200266	629448845	/nfs/dbraw/zinc/44/88/45/629448845.db2.gz	VLRHXKQBJDEXSS-NWDGAFQWSA-N	-1	0	298.367	3.376	20	30		CGEDRM
CCCC(=NN[C@H](CC)C(=O)[O-])c1cc(C)sc1C	ZINC000863114396	629476295	/nfs/dbraw/zinc/47/62/95/629476295.db2.gz	IRMJVDCACSFMKX-GFCCVEGCSA-N	-1	0	282.409	3.322	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cncs1	ZINC000794943519	629604272	/nfs/dbraw/zinc/60/42/72/629604272.db2.gz	YYCXKUDZKCBKJS-ARJAWSKDSA-N	-1	0	287.340	3.354	20	30		CGEDRM
CCCCCCCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000864159273	629788149	/nfs/dbraw/zinc/78/81/49/629788149.db2.gz	SIJOXRMYDQDURP-UHFFFAOYSA-N	-1	0	281.396	3.108	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H](C)CCCCC)C(=O)[O-]	ZINC000864182874	629792625	/nfs/dbraw/zinc/79/26/25/629792625.db2.gz	FBPHAMZCLLWTIB-JQWIXIFHSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000864188065	629794519	/nfs/dbraw/zinc/79/45/19/629794519.db2.gz	GCHNQOXEYGOREQ-CLFYSBASSA-N	-1	0	291.347	3.100	20	30		CGEDRM
CC[C@@H]1C[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000797784885	629981630	/nfs/dbraw/zinc/98/16/30/629981630.db2.gz	MQVZZCHYKHJSBQ-JGFSPYKLSA-N	-1	0	268.700	3.171	20	30		CGEDRM
CSC1(CN=Nc2ccc(C(=O)[O-])cc2)CCC1	ZINC000800803490	630300064	/nfs/dbraw/zinc/30/00/64/630300064.db2.gz	HQDBPRMNOZDRFT-UHFFFAOYSA-N	-1	0	264.350	3.068	20	30		CGEDRM
CC(C)(CCC#N)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000806550882	630565638	/nfs/dbraw/zinc/56/56/38/630565638.db2.gz	NVGRZOCPDKDKON-CXUHLZMHSA-N	-1	0	275.308	3.049	20	30		CGEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1	ZINC000810533674	630886695	/nfs/dbraw/zinc/88/66/95/630886695.db2.gz	SETKRXWKLBFLAE-MRXNPFEDSA-N	-1	0	298.386	3.191	20	30		CGEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1	ZINC000810533662	630886872	/nfs/dbraw/zinc/88/68/72/630886872.db2.gz	SAWWIHQUFHPYLE-MRXNPFEDSA-N	-1	0	296.370	3.101	20	30		CGEDRM
CCC(=NOCCOC(C)C)c1cc(C(=O)[O-])ccc1F	ZINC000812239112	631229644	/nfs/dbraw/zinc/22/96/44/631229644.db2.gz	MXVFWJYMYQQWPT-UHFFFAOYSA-N	-1	0	297.326	3.080	20	30		CGEDRM
C=CCN(CCC#N)Cc1cccc(Br)c1[O-]	ZINC000814171064	631536476	/nfs/dbraw/zinc/53/64/76/631536476.db2.gz	JMHQWWAJYXKNAG-UHFFFAOYSA-N	-1	0	295.180	3.056	20	30		CGEDRM
Cc1sccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000814681116	631620724	/nfs/dbraw/zinc/62/07/24/631620724.db2.gz	XQCCCXUQXMBXSN-UHFFFAOYSA-N	-1	0	260.318	3.201	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C)nc1C	ZINC000814687467	631622764	/nfs/dbraw/zinc/62/27/64/631622764.db2.gz	JTKVPEKZMCNDMP-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
O=C([O-])c1cccc(C=NNCc2ccccc2)c1Cl	ZINC000814752385	631633366	/nfs/dbraw/zinc/63/33/66/631633366.db2.gz	KPRMEZQKZAMXPP-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
Cc1sccc1C=NNc1ccccc1C(=O)[O-]	ZINC000814769009	631636435	/nfs/dbraw/zinc/63/64/35/631636435.db2.gz	RRFXSQXRRMOMNK-UHFFFAOYSA-N	-1	0	260.318	3.201	20	30		CGEDRM
O=c1[n-]c(N=NC2CC[C@@H]2C2CCC2)nc2ccccc21	ZINC000814868994	631659307	/nfs/dbraw/zinc/65/93/07/631659307.db2.gz	POURZKWXWWUZPM-LLVKDONJSA-N	-1	0	282.347	3.313	20	30		CGEDRM
C[C@H]1C(=NOCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814880260	631662147	/nfs/dbraw/zinc/66/21/47/631662147.db2.gz	YCWSMBWIOOXSQZ-YUMQZZPRSA-N	-1	0	281.274	3.078	20	30		CGEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000814890771	631666488	/nfs/dbraw/zinc/66/64/88/631666488.db2.gz	YYQSCEMNJNDAEU-LLVKDONJSA-N	-1	0	275.352	3.394	20	30		CGEDRM
C[C@@H]1C(N=Nc2cc(Cl)ccn2)CC[C@H]1CC(=O)[O-]	ZINC000814898608	631669331	/nfs/dbraw/zinc/66/93/31/631669331.db2.gz	PZLMTNZAHURFDD-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1CC(=NOCc2ccc(F)cc2)CC[C@H]1C(=O)[O-]	ZINC000814903565	631673090	/nfs/dbraw/zinc/67/30/90/631673090.db2.gz	PBSQFTKMFLBHBR-IINYFYTJSA-N	-1	0	279.311	3.219	20	30		CGEDRM
CC(N=Nc1cccc(F)n1)[C@H](C)CCCCC(=O)[O-]	ZINC000814927775	631686134	/nfs/dbraw/zinc/68/61/34/631686134.db2.gz	FTFHNJGBEFOAMB-SNVBAGLBSA-N	-1	0	281.331	3.290	20	30		CGEDRM
O=C([O-])c1cccc(C=NNCC2CCCC2)c1Cl	ZINC000814933659	631688590	/nfs/dbraw/zinc/68/85/90/631688590.db2.gz	VVMWNCNXZZXODM-UHFFFAOYSA-N	-1	0	280.755	3.152	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccc(F)c(F)c2F)c1	ZINC000814944896	631694971	/nfs/dbraw/zinc/69/49/71/631694971.db2.gz	BLRWORUTRSPBIG-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
C=CCC(F)(F)C(=O)[N-]Cc1c(F)c(F)cc(F)c1F	ZINC000815768045	631823090	/nfs/dbraw/zinc/82/30/90/631823090.db2.gz	KQBNTYIAHSETQU-UHFFFAOYSA-N	-1	0	297.198	3.071	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C(F)=C2CCCC2)n1	ZINC000815898210	631830142	/nfs/dbraw/zinc/83/01/42/631830142.db2.gz	WKOPNNXASJJJHU-SNVBAGLBSA-N	-1	0	264.325	3.425	20	30		CGEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OC[C@@H](C)CC	ZINC000816978311	632067344	/nfs/dbraw/zinc/06/73/44/632067344.db2.gz	QMQGNWWEJMTCDA-STQMWFEESA-N	-1	0	272.389	3.052	20	30		CGEDRM
N#CC1(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])CCC1	ZINC000822968123	633044403	/nfs/dbraw/zinc/04/44/03/633044403.db2.gz	ZJDHZYQLVRDUFZ-UHFFFAOYSA-N	-1	0	299.157	3.123	20	30		CGEDRM
C=CC1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1	ZINC000827189090	633469594	/nfs/dbraw/zinc/46/95/94/633469594.db2.gz	DYHNALWETCNKKC-UHFFFAOYSA-N	-1	0	288.372	3.155	20	30		CGEDRM
N#CC(=C([O-])c1conc1C1CCCC1)c1ccccn1	ZINC000870135698	633534992	/nfs/dbraw/zinc/53/49/92/633534992.db2.gz	BQPWIWRTWIKMKC-LBPRGKRZSA-N	-1	0	281.315	3.217	20	30		CGEDRM
CC1=C(C)C[C@@](C)(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000828148262	633574374	/nfs/dbraw/zinc/57/43/74/633574374.db2.gz	NQQPNNQWVGYLAD-KRWDZBQOSA-N	-1	0	284.359	3.495	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)CC1(CC(=O)[O-])CCC1	ZINC000873005272	634229645	/nfs/dbraw/zinc/22/96/45/634229645.db2.gz	NVXFQJMORPVJHG-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C[C@H](NN=Cc1cc(Cl)cc(F)c1[O-])C(F)(F)F	ZINC000834998084	634305715	/nfs/dbraw/zinc/30/57/15/634305715.db2.gz	PRHHMMWRKMWNHC-YFKPBYRVSA-N	-1	0	284.640	3.059	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)C[C@H]1C	ZINC000835007539	634312492	/nfs/dbraw/zinc/31/24/92/634312492.db2.gz	XJKJCXMWIXFMQU-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC1C=C(N=Nc2ccc(C(=O)[O-])c(F)c2)CCC1	ZINC000835009643	634314124	/nfs/dbraw/zinc/31/41/24/634314124.db2.gz	AAGDVINDLOSDFZ-UHFFFAOYSA-N	-1	0	262.284	3.422	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CC=CCC2)cc1F	ZINC000835009774	634314642	/nfs/dbraw/zinc/31/46/42/634314642.db2.gz	CFDZCKFFUXBREU-JTQLQIEISA-N	-1	0	262.284	3.278	20	30		CGEDRM
C[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011349	634315446	/nfs/dbraw/zinc/31/54/46/634315446.db2.gz	DVJLDLACZPXIFL-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(C)(CCC#N)CN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012799	634317160	/nfs/dbraw/zinc/31/71/60/634317160.db2.gz	VFXLQDULIBGQOD-UHFFFAOYSA-N	-1	0	277.299	3.252	20	30		CGEDRM
N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc(C2CC2)cs1	ZINC000842937719	635518299	/nfs/dbraw/zinc/51/82/99/635518299.db2.gz	GGJXVOABWOIHFF-JTQLQIEISA-N	-1	0	298.371	3.111	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1	ZINC000210182460	635817704	/nfs/dbraw/zinc/81/77/04/635817704.db2.gz	QXKMNAAWXOUFQQ-CLFYSBASSA-N	-1	0	269.256	3.197	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000105714441	635990325	/nfs/dbraw/zinc/99/03/25/635990325.db2.gz	PADZXSDZCSZTAP-CQSZACIVSA-N	-1	0	283.412	3.450	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845837826	636105300	/nfs/dbraw/zinc/10/53/00/636105300.db2.gz	POCVXCNTQMJSPK-FALLNDSDSA-N	-1	0	287.384	3.485	20	30		CGEDRM
N#CC(C(=O)[C@H]1CC12CC2)=C([O-])c1cc2c(s1)CCCC2	ZINC000845834562	636105414	/nfs/dbraw/zinc/10/54/14/636105414.db2.gz	UUYFMXAZJZQGHL-NWDGAFQWSA-N	-1	0	299.395	3.319	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(F)cc2F)CCCC1	ZINC000846536312	636193993	/nfs/dbraw/zinc/19/39/93/636193993.db2.gz	GMIRLQYTVWRILZ-UHFFFAOYSA-N	-1	0	295.329	3.401	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc(Cl)cc1	ZINC000846542351	636197571	/nfs/dbraw/zinc/19/75/71/636197571.db2.gz	ZZCADCBLACTYKX-SECBINFHSA-N	-1	0	271.769	3.054	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(F)c(Cl)c2)c1	ZINC000129882941	636392298	/nfs/dbraw/zinc/39/22/98/636392298.db2.gz	MRJVTFOMLWLDOF-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccsc1	ZINC000086055195	636781955	/nfs/dbraw/zinc/78/19/55/636781955.db2.gz	PDFAZFQZQOXPPB-VIFPVBQESA-N	-1	0	287.406	3.081	20	30		CGEDRM
O=C(/C=C\c1cc(F)cc(F)c1)c1ccc(O)cc1[O-]	ZINC000215733342	637076063	/nfs/dbraw/zinc/07/60/63/637076063.db2.gz	LHTJCEJXRYTIIW-RJRFIUFISA-N	-1	0	276.238	3.272	20	30		CGEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1	ZINC000850768371	637148057	/nfs/dbraw/zinc/14/80/57/637148057.db2.gz	PRIPBTDRSYJSAK-INIZCTEOSA-N	-1	0	298.386	3.191	20	30		CGEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000853354923	637823344	/nfs/dbraw/zinc/82/33/44/637823344.db2.gz	YRMADCXCBVIWON-UHFFFAOYSA-N	-1	0	277.299	3.252	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc(Cl)c1	ZINC000853394975	637833960	/nfs/dbraw/zinc/83/39/60/637833960.db2.gz	GHPKNQCYBQEGRV-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1F	ZINC000853438340	637842916	/nfs/dbraw/zinc/84/29/16/637842916.db2.gz	XXCYZXAVWVONMC-QWRGUYRKSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C=CCCSCCNC(=O)c1cccc(Cl)c1[O-]	ZINC000855384066	638179187	/nfs/dbraw/zinc/17/91/87/638179187.db2.gz	VDGRGBDMFUFSSQ-UHFFFAOYSA-N	-1	0	285.796	3.085	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1coc2ccccc12	ZINC000113651911	638248808	/nfs/dbraw/zinc/24/88/08/638248808.db2.gz	GFIDGWHILLKQSF-ZDUSSCGKSA-N	-1	0	298.342	3.062	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	ZINC000856032941	638287986	/nfs/dbraw/zinc/28/79/86/638287986.db2.gz	XUZYOOQYDVZHHP-DZGCQCFKSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccc(F)cc2F)CCCC1	ZINC000856034368	638289941	/nfs/dbraw/zinc/28/99/41/638289941.db2.gz	LYSNKEKTZJRUGZ-UHFFFAOYSA-N	-1	0	295.329	3.401	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](CC)c1ccc(Br)cc1	ZINC000861923734	639628906	/nfs/dbraw/zinc/62/89/06/639628906.db2.gz	DGPVXFGXOUMQRE-LBPRGKRZSA-N	-1	0	298.180	3.177	20	30		CGEDRM
C=C(C)CN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935273076	639779380	/nfs/dbraw/zinc/77/93/80/639779380.db2.gz	DYDXQJKKBZHTTK-UHFFFAOYSA-N	-1	0	274.147	3.347	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H](c2ccccc2)C2CC2)c1	ZINC000159384149	640042678	/nfs/dbraw/zinc/04/26/78/640042678.db2.gz	LJWSSEOPTUCIRM-QGZVFWFLSA-N	-1	0	292.338	3.396	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCC1CCCCC1	ZINC000078777793	640341582	/nfs/dbraw/zinc/34/15/82/640341582.db2.gz	ZLKQXENWBDFENT-UHFFFAOYSA-N	-1	0	275.414	3.433	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)s1	ZINC000193369826	640452764	/nfs/dbraw/zinc/45/27/64/640452764.db2.gz	FLGOJTYTZIRXMK-VIFPVBQESA-N	-1	0	298.795	3.030	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000080667426	640496953	/nfs/dbraw/zinc/49/69/53/640496953.db2.gz	JOMBQRIRBVNLOO-UHFFFAOYSA-N	-1	0	287.356	3.360	20	30		CGEDRM
COC[C@@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000194469508	640534107	/nfs/dbraw/zinc/53/41/07/640534107.db2.gz	LBLSXPGRRZGYTE-VLYAYIKJSA-N	-1	0	276.163	3.400	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791792	640600086	/nfs/dbraw/zinc/60/00/86/640600086.db2.gz	BPDYBAWUTRUCJG-VIFPVBQESA-N	-1	0	289.784	3.172	20	30		CGEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000088800304	640624721	/nfs/dbraw/zinc/62/47/21/640624721.db2.gz	XDAWNDKRYAEVTO-MDZDMXLPSA-N	-1	0	277.345	3.054	20	30		CGEDRM
Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1F	ZINC000254390957	640909859	/nfs/dbraw/zinc/90/98/59/640909859.db2.gz	YGRKLXQUJBWPDO-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
FC(F)(F)c1n[n-]c(=S)n1N=CC=Cc1ccccc1	ZINC000254489700	640911935	/nfs/dbraw/zinc/91/19/35/640911935.db2.gz	FUQOFZJLWXPMGF-JVXWVONSSA-N	-1	0	298.293	3.133	20	30		CGEDRM
CCCC[C@@H](SCC1(C#N)CCCC1)C(=O)[O-]	ZINC001595655773	960536062	/nfs/dbraw/zinc/53/60/62/960536062.db2.gz	PDTDRJWOSLPGGI-LLVKDONJSA-N	-1	0	255.383	3.447	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1	ZINC001250463678	805632829	/nfs/dbraw/zinc/63/28/29/805632829.db2.gz	GWIVRLQCPKNZIK-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cccc(C#N)c1	ZINC001250583985	805707203	/nfs/dbraw/zinc/70/72/03/805707203.db2.gz	FYWNZRSGPJVKCN-UHFFFAOYSA-N	-1	0	267.284	3.322	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1F	ZINC001250635887	805740561	/nfs/dbraw/zinc/74/05/61/805740561.db2.gz	KRKDUBLKBAFLJL-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001250632833	805739369	/nfs/dbraw/zinc/73/93/69/805739369.db2.gz	NEMCLDJSLWZKSP-XBXARRHUSA-N	-1	0	267.259	3.462	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3cc(F)c(F)cc3[nH]2)c1	ZINC001251180372	805859216	/nfs/dbraw/zinc/85/92/16/805859216.db2.gz	RKGFSMLTXWZGOI-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
COc1cc(O)ccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC001252850761	806130497	/nfs/dbraw/zinc/13/04/97/806130497.db2.gz	CIYNCSBYPQFZJF-ZZXKWVIFSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CCCCCCCc1cn([C@H](C(=O)[O-])[C@@H](C)CC)nn1	ZINC001254088933	806340563	/nfs/dbraw/zinc/34/05/63/806340563.db2.gz	LZDQPMDHPHNODU-JSGCOSHPSA-N	-1	0	281.400	3.463	20	30		CGEDRM
N#CC1(CNc2ccc3oc(=S)[n-]c3c2)CCC1	ZINC001162411991	806581523	/nfs/dbraw/zinc/58/15/23/806581523.db2.gz	IRCQIXRTOGNIEF-UHFFFAOYSA-N	-1	0	259.334	3.222	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1cccc(C(=O)[O-])c1	ZINC000093396056	798964232	/nfs/dbraw/zinc/96/42/32/798964232.db2.gz	NJGLFILYOPDCPS-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CC2=CCCCC2)c1	ZINC000176400604	799094915	/nfs/dbraw/zinc/09/49/15/799094915.db2.gz	LLWGSCVZTYCSPO-UHFFFAOYSA-N	-1	0	256.305	3.093	20	30		CGEDRM
C[C@H](Cc1ccccc1F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176405006	799096247	/nfs/dbraw/zinc/09/62/47/799096247.db2.gz	GARLLONWYLRDER-LLVKDONJSA-N	-1	0	298.317	3.220	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000209990849	799133104	/nfs/dbraw/zinc/13/31/04/799133104.db2.gz	NEXMKTVHTTZUQR-CLTKARDFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC000398071540	799525270	/nfs/dbraw/zinc/52/52/70/799525270.db2.gz	GWXFCUUONUSDFW-CZUORRHYSA-N	-1	0	296.411	3.018	20	30		CGEDRM
N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccsc1	ZINC000714363380	800120940	/nfs/dbraw/zinc/12/09/40/800120940.db2.gz	PTISDCPHBDBWEL-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
CC(C)(C)ON=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001116404599	802343779	/nfs/dbraw/zinc/34/37/79/802343779.db2.gz	LFBHAARMUZYBIF-UHFFFAOYSA-N	-1	0	272.688	3.103	20	30		CGEDRM
C#Cc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC001256795690	806979015	/nfs/dbraw/zinc/97/90/15/806979015.db2.gz	KBKYODWLQKENAR-UHFFFAOYSA-N	-1	0	291.759	3.122	20	30		CGEDRM
C=CC[C@@H](NC(=O)NC1CCC(CCCC)CC1)C(=O)[O-]	ZINC001116899015	802426480	/nfs/dbraw/zinc/42/64/80/802426480.db2.gz	ASLXXBBAZATQFM-JXQTWKCFSA-N	-1	0	296.411	3.064	20	30		CGEDRM
Cc1csc(Nc2ccc(C(=O)[O-])s2)c1C#N	ZINC001174805882	809166551	/nfs/dbraw/zinc/16/65/51/809166551.db2.gz	JMYFUKUIBWPVPP-UHFFFAOYSA-N	-1	0	264.331	3.432	20	30		CGEDRM
CC(C)c1occc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122644344	802878524	/nfs/dbraw/zinc/87/85/24/802878524.db2.gz	QJQLAXJNTKXQOQ-NSHDSACASA-N	-1	0	272.279	3.427	20	30		CGEDRM
N#CC1(c2cccc(-c3ccc(S(=O)(=O)[O-])cc3)c2)CC1	ZINC001244074892	803172210	/nfs/dbraw/zinc/17/22/10/803172210.db2.gz	IUOMCMIEUMHKSN-UHFFFAOYSA-N	-1	0	299.351	3.155	20	30		CGEDRM
N#Cc1ccc2cc(-c3cnc(F)c(C(=O)[O-])c3)ccc2n1	ZINC001244755377	803520598	/nfs/dbraw/zinc/52/05/98/803520598.db2.gz	JONSACFRTLCRAF-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
O=C([O-])c1cc(-c2ccc(CS)cc2)cnc1F	ZINC001244756925	803521210	/nfs/dbraw/zinc/52/12/10/803521210.db2.gz	XTRCBIQWJXDNEP-UHFFFAOYSA-N	-1	0	263.293	3.016	20	30		CGEDRM
N#Cc1nccc2cc(-c3cc(C(=O)[O-])cnc3F)ccc21	ZINC001244762885	803523067	/nfs/dbraw/zinc/52/30/67/803523067.db2.gz	UATFQXIXMNZHKZ-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(C)c(C(=O)[O-])c(C)c2)n1	ZINC001244945276	803585870	/nfs/dbraw/zinc/58/58/70/803585870.db2.gz	UILXGKUDNCUPSW-UHFFFAOYSA-N	-1	0	280.327	3.438	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(Cl)ccc1[O-])CCC2	ZINC001245051508	803623341	/nfs/dbraw/zinc/62/33/41/803623341.db2.gz	ZRRITDGCDTWILJ-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(CC(=O)[O-])ccc2F)n1	ZINC001245313246	803697654	/nfs/dbraw/zinc/69/76/54/803697654.db2.gz	KHXAXMLJGCNQLI-UHFFFAOYSA-N	-1	0	284.290	3.003	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245373254	803718005	/nfs/dbraw/zinc/71/80/05/803718005.db2.gz	VEJZZUONBFVGIG-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CCOc1ccccc1-c1cc([O-])c(F)c(F)c1F	ZINC001245638459	803876527	/nfs/dbraw/zinc/87/65/27/803876527.db2.gz	JZVGZNDZHOTVLC-UHFFFAOYSA-N	-1	0	279.217	3.379	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2c(F)ccc(CO)c2F)c1	ZINC001245853147	803997640	/nfs/dbraw/zinc/99/76/40/803997640.db2.gz	TVOQMCKVPXSFHC-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
Cc1nc(-n2[n-]c(-c3ccc(C#N)cc3)cc2=O)sc1C	ZINC001245932034	804061570	/nfs/dbraw/zinc/06/15/70/804061570.db2.gz	AZTXWQDNRNSTOH-UHFFFAOYSA-N	-1	0	296.355	3.190	20	30		CGEDRM
CCCCCCCCC[C@@H](C)[NH2+]CCOP(=O)([O-])[O-]	ZINC001258230919	807379243	/nfs/dbraw/zinc/37/92/43/807379243.db2.gz	FDTXZOOXHOVZKH-CYBMUJFWSA-N	-1	0	295.360	3.215	20	30		CGEDRM
N#Cc1ccc(-c2nnc(Cc3cccc(F)c3)o2)c([O-])c1	ZINC001258588673	807493761	/nfs/dbraw/zinc/49/37/61/807493761.db2.gz	HMJHSJHCFBRQBY-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
CC[C@@H](C)S(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2	ZINC001260723594	807699823	/nfs/dbraw/zinc/69/98/23/807699823.db2.gz	OWZAYPQAFOLURP-SECBINFHSA-N	-1	0	298.433	3.039	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)s2)ccc1C(=O)[O-]	ZINC001174683562	809128749	/nfs/dbraw/zinc/12/87/49/809128749.db2.gz	PYBMITLJPXPDEZ-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(Nc2cccc(C)c2C#N)ccc1C(=O)[O-]	ZINC001174684678	809129920	/nfs/dbraw/zinc/12/99/20/809129920.db2.gz	FLCVKKFVLRTPDK-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(Nc2cccc(OC)c2C#N)ccc1C(=O)[O-]	ZINC001174687309	809131012	/nfs/dbraw/zinc/13/10/12/809131012.db2.gz	SBCMNNGJENIOBD-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])s2)c(F)c1	ZINC001174810012	809169100	/nfs/dbraw/zinc/16/91/00/809169100.db2.gz	ZSXGWCTZTHSLRU-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
COc1cc(F)cc(Nc2scc([O-])c2C#N)c1	ZINC001175008198	809236731	/nfs/dbraw/zinc/23/67/31/809236731.db2.gz	YLGHPRFNAHDGHN-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001175220677	809313485	/nfs/dbraw/zinc/31/34/85/809313485.db2.gz	XHVKVGNUXZHMPI-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1cccc(C(=O)[O-])c1	ZINC001175328311	809356198	/nfs/dbraw/zinc/35/61/98/809356198.db2.gz	GUBXSKMBDQEILX-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
Cc1n[nH]c2cc(Nc3scc([O-])c3C#N)ccc12	ZINC001175657507	809492789	/nfs/dbraw/zinc/49/27/89/809492789.db2.gz	UKWYTXWFPOCKGA-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cnn(-c2ccccc2)c1	ZINC001175792342	809544493	/nfs/dbraw/zinc/54/44/93/809544493.db2.gz	IOBKSVDWUDIMPI-UHFFFAOYSA-N	-1	0	282.328	3.255	20	30		CGEDRM
Cc1cc(C)c(Nc2cncc(C(=O)[O-])c2)cc1C#N	ZINC001175846846	809555157	/nfs/dbraw/zinc/55/51/57/809555157.db2.gz	UWZXYWLHWICAKU-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])c(F)cc1F	ZINC001176111414	809624919	/nfs/dbraw/zinc/62/49/19/809624919.db2.gz	QEEIBLLEUPYLNI-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176587181	809724870	/nfs/dbraw/zinc/72/48/70/809724870.db2.gz	VMQDOBQEVNTNRL-UHFFFAOYSA-N	-1	0	293.326	3.122	20	30		CGEDRM
Cc1nsc(Nc2ccc(CCC(=O)[O-])cc2)c1C#N	ZINC001213619655	815311794	/nfs/dbraw/zinc/31/17/94/815311794.db2.gz	RQTVQGIAVXFISJ-UHFFFAOYSA-N	-1	0	287.344	3.084	20	30		CGEDRM
N#CCc1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176680755	809741982	/nfs/dbraw/zinc/74/19/82/809741982.db2.gz	XBYGTCCDMSUVMN-UHFFFAOYSA-N	-1	0	297.270	3.103	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176712172	809746671	/nfs/dbraw/zinc/74/66/71/809746671.db2.gz	DWUNEJDYOHDEKG-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1cc(Nc2ccc(CCC(=O)[O-])cc2)ccc1C#N	ZINC001213631777	815314451	/nfs/dbraw/zinc/31/44/51/815314451.db2.gz	DVAPCLJJFGMAHV-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
N#Cc1cc(NC(=O)[C@@H]2CC23CCCCC3)c([O-])cc1F	ZINC001181909209	810083845	/nfs/dbraw/zinc/08/38/45/810083845.db2.gz	SUVVCLIJKXJLEA-NSHDSACASA-N	-1	0	288.322	3.312	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1nc2ccccc2s1	ZINC001184241892	810184924	/nfs/dbraw/zinc/18/49/24/810184924.db2.gz	SUAOPIHALMVJJT-UHFFFAOYSA-N	-1	0	297.359	3.285	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCC1=CCCCC1	ZINC001184245843	810185155	/nfs/dbraw/zinc/18/51/55/810185155.db2.gz	DETLLOGMGDHEIQ-UHFFFAOYSA-N	-1	0	272.368	3.043	20	30		CGEDRM
Cc1coc(NC(=O)c2ccoc2C(F)(F)F)c1C#N	ZINC001187710889	810418699	/nfs/dbraw/zinc/41/86/99/810418699.db2.gz	WLJGKKASDDPJAH-UHFFFAOYSA-N	-1	0	284.193	3.324	20	30		CGEDRM
CCCCCCCNC(=O)Nc1ccc(O)cc1C#N	ZINC001191106722	810676111	/nfs/dbraw/zinc/67/61/11/810676111.db2.gz	MUXCMGNAKXDAJN-UHFFFAOYSA-N	-1	0	275.352	3.356	20	30		CGEDRM
N#Cc1cccnc1Nc1c(Cl)ccc([O-])c1F	ZINC001214554223	815422967	/nfs/dbraw/zinc/42/29/67/815422967.db2.gz	MNSPQINPXLIPIB-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1c(F)c([O-])ccc1Cl	ZINC001214563562	815424890	/nfs/dbraw/zinc/42/48/90/815424890.db2.gz	HEYQWFHQZBQQQW-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
N#Cc1cc(Cl)ccc1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215111324	815483819	/nfs/dbraw/zinc/48/38/19/815483819.db2.gz	LSPJQMGUNLTDRF-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215276307	815501631	/nfs/dbraw/zinc/50/16/31/815501631.db2.gz	CAUAWVIPGWCUBL-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#CCc1ccc(Nc2ccsc2C(=O)[O-])cc1	ZINC001215391593	815514753	/nfs/dbraw/zinc/51/47/53/815514753.db2.gz	CHCKUGYKAAYYKT-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccsc1C(=O)[O-]	ZINC001215391989	815514837	/nfs/dbraw/zinc/51/48/37/815514837.db2.gz	QVKYGOYJASMNJH-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1cc(Nc2ccsc2C(=O)[O-])cc(F)c1F	ZINC001215395884	815516628	/nfs/dbraw/zinc/51/66/28/815516628.db2.gz	SVZBRMRVGPPTGD-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1c(Cl)c(Nc2cc(C#N)ccn2)ccc1C(=O)[O-]	ZINC001215690078	815558745	/nfs/dbraw/zinc/55/87/45/815558745.db2.gz	HMFDKPMNMKBERK-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccsc3C(=O)[O-])c2)CC1	ZINC001205565646	813005233	/nfs/dbraw/zinc/00/52/33/813005233.db2.gz	RJSVEUMSRZNNAT-UHFFFAOYSA-N	-1	0	270.313	3.063	20	30		CGEDRM
N#Cc1cc2nc(-c3cc(F)c(F)c(C(=O)[O-])c3)ccc2[nH]1	ZINC001206016327	813166055	/nfs/dbraw/zinc/16/60/55/813166055.db2.gz	HKFBIMMUJZSQSU-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1nc(-c2ccc(O)cc2F)ccc1C(F)(F)F	ZINC001206029569	813171457	/nfs/dbraw/zinc/17/14/57/813171457.db2.gz	CXOWPOJOMDHMCV-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc([O-])cc1F)CCCC2	ZINC001206037460	813175207	/nfs/dbraw/zinc/17/52/07/813175207.db2.gz	IRZZVJIPXPFCID-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
Cc1cc(-c2csc(C(=O)[O-])c2)ccc1CC#N	ZINC001206284037	813271052	/nfs/dbraw/zinc/27/10/52/813271052.db2.gz	RFGTTWKPBIOERE-UHFFFAOYSA-N	-1	0	257.314	3.488	20	30		CGEDRM
N#Cc1ccc(-c2csc(C(=O)[O-])c2)c2cc[nH]c21	ZINC001206290860	813273866	/nfs/dbraw/zinc/27/38/66/813273866.db2.gz	DEZJBLFNDWQLJG-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
N#CC1(c2ccc(-c3cc(F)c([O-])cc3F)nc2)CC1	ZINC001206762010	813427894	/nfs/dbraw/zinc/42/78/94/813427894.db2.gz	UEAOZODKUNKRJA-UHFFFAOYSA-N	-1	0	272.254	3.288	20	30		CGEDRM
CC(C)(C)c1noc([N-]c2ncccc2F)c1C#N	ZINC001209804644	814148602	/nfs/dbraw/zinc/14/86/02/814148602.db2.gz	BHXCTKSQSDXKDN-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
COc1ccc(Nc2ccc(F)cc2C#N)cc1C(=O)[O-]	ZINC001209902273	814193936	/nfs/dbraw/zinc/19/39/36/814193936.db2.gz	KCCHWSDUGQKYBW-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C#N)cc1O	ZINC001210008447	814241318	/nfs/dbraw/zinc/24/13/18/814241318.db2.gz	XYFLGTNLOWVHLZ-UHFFFAOYSA-N	-1	0	286.262	3.153	20	30		CGEDRM
N#Cc1c2c(sc1Nc1ccc(C(=O)[O-])nc1)CCCC2	ZINC001210170257	814320102	/nfs/dbraw/zinc/32/01/02/814320102.db2.gz	SQYUZSFCYNVEDA-UHFFFAOYSA-N	-1	0	299.355	3.335	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2cccc(C(=O)[O-])c2F)cn1	ZINC001210240059	814359019	/nfs/dbraw/zinc/35/90/19/814359019.db2.gz	SKJRGOLBCQXNDY-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C)c(C#N)c1	ZINC001210257418	814368976	/nfs/dbraw/zinc/36/89/76/814368976.db2.gz	AICSAQRUTPQTOO-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1OC	ZINC001210258997	814370355	/nfs/dbraw/zinc/37/03/55/814370355.db2.gz	XVEPMIGQLWMVNV-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1scc([O-])c1C#N	ZINC001210375467	814430164	/nfs/dbraw/zinc/43/01/64/814430164.db2.gz	USVNJEFAVJDHKV-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC001210393727	814442420	/nfs/dbraw/zinc/44/24/20/814442420.db2.gz	YIHLEZFLVJDVSR-UHFFFAOYSA-N	-1	0	275.289	3.286	20	30		CGEDRM
Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1C#N	ZINC001210398288	814444019	/nfs/dbraw/zinc/44/40/19/814444019.db2.gz	UWZPKHBECGZDAS-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
N#Cc1cc(Nc2ccc3ocnc3c2)c([O-])cc1F	ZINC001210575049	814536845	/nfs/dbraw/zinc/53/68/45/814536845.db2.gz	VYXKQXUNGDGVOB-UHFFFAOYSA-N	-1	0	269.235	3.288	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cc(F)c([O-])cc2F)c1F	ZINC001211360808	814886137	/nfs/dbraw/zinc/88/61/37/814886137.db2.gz	WUMHQVOOJNTXNF-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
Cc1cc(Nc2cnc(C#N)c(C)c2)cc(C(=O)[O-])c1	ZINC001211539288	814904008	/nfs/dbraw/zinc/90/40/08/814904008.db2.gz	PLNUKTAJTZPYHK-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc(Nc2csc(C#N)c2)cc1C(=O)[O-]	ZINC001211599860	814916255	/nfs/dbraw/zinc/91/62/55/814916255.db2.gz	YLRUDTZGCPOLEP-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)cc1C#N	ZINC001211628929	814921581	/nfs/dbraw/zinc/92/15/81/814921581.db2.gz	NYIJHTOPDZXHBN-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
N#Cc1ccccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216683413	815892982	/nfs/dbraw/zinc/89/29/82/815892982.db2.gz	PNHQZOFXIXIJKY-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1cccc(-c2noc(-c3ccc(C#N)cc3[O-])n2)c1F	ZINC001217039082	815907271	/nfs/dbraw/zinc/90/72/71/815907271.db2.gz	HWDSFIVLYWBXDN-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1nccs1	ZINC001223890628	816697769	/nfs/dbraw/zinc/69/77/69/816697769.db2.gz	WDAMTHAOSBFAQE-ABKQWANMSA-N	-1	0	284.287	3.335	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)c1cccnc1F	ZINC001223890083	816697899	/nfs/dbraw/zinc/69/78/99/816697899.db2.gz	NMDDIZQPTDXKBU-OGWOSMHVSA-N	-1	0	296.248	3.413	20	30		CGEDRM
C=C[C@@H](CCCCCCC)OCCCS(=O)(=O)[O-]	ZINC001224900223	816905088	/nfs/dbraw/zinc/90/50/88/816905088.db2.gz	SYPMVEOIIYNBHR-ZDUSSCGKSA-N	-1	0	278.414	3.196	20	30		CGEDRM
C#C[C@H](OCCCC[P@@](=O)([O-])O)[C@@H](CC)CCCC	ZINC001225019774	816934857	/nfs/dbraw/zinc/93/48/57/816934857.db2.gz	AMXZDWZFELNYRP-KBPBESRZSA-N	-1	0	290.340	3.179	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225492671	817073810	/nfs/dbraw/zinc/07/38/10/817073810.db2.gz	ZMIUKSVSKASHQR-NSHDSACASA-N	-1	0	251.282	3.424	20	30		CGEDRM
C=C[C@H](C#CC(C)(C)C)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225624342	817117241	/nfs/dbraw/zinc/11/72/41/817117241.db2.gz	AWSHUZSSMWRLLH-LLVKDONJSA-N	-1	0	275.304	3.283	20	30		CGEDRM
C[C@@H]1CC(Oc2[n-]c(=O)c(F)cc2C#N)C[C@@H](C)C1	ZINC001226008183	817247272	/nfs/dbraw/zinc/24/72/72/817247272.db2.gz	FWVFFLOJNHZYEM-IUCAKERBSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C=C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226015140	817250336	/nfs/dbraw/zinc/25/03/36/817250336.db2.gz	GMIBHTAFDGNGIT-ZDUSSCGKSA-N	-1	0	270.263	3.104	20	30		CGEDRM
N#Cc1c(OC(C2CC2)C2CC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226065021	817262344	/nfs/dbraw/zinc/26/23/44/817262344.db2.gz	QYTWTCXKMBUQQV-UHFFFAOYSA-N	-1	0	298.264	3.245	20	30		CGEDRM
C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226063834	817262681	/nfs/dbraw/zinc/26/26/81/817262681.db2.gz	LGYNVMRARLRVAL-XVKPBYJWSA-N	-1	0	286.253	3.245	20	30		CGEDRM
CC(C)C[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226064718	817262802	/nfs/dbraw/zinc/26/28/02/817262802.db2.gz	PBDIIJFIZACOPN-QMMMGPOBSA-N	-1	0	288.269	3.491	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCc3ccccc32)c1C#N	ZINC001226220751	817302720	/nfs/dbraw/zinc/30/27/20/817302720.db2.gz	ABKPDVTTWACLRP-CQSZACIVSA-N	-1	0	266.300	3.034	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccccc2[N+](=O)[O-])c1C#N	ZINC001226224020	817303076	/nfs/dbraw/zinc/30/30/76/817303076.db2.gz	YEGGSEVVBLVNKL-SNVBAGLBSA-N	-1	0	299.286	3.016	20	30		CGEDRM
C=CC[C@H](Oc1[nH]c(=O)nnc1C)c1ccc(Cl)cc1	ZINC001226464186	817365605	/nfs/dbraw/zinc/36/56/05/817365605.db2.gz	NFJSZXYOONFFHK-LBPRGKRZSA-N	-1	0	291.738	3.235	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(F)cc2OCC#N)c1	ZINC001243182776	823277642	/nfs/dbraw/zinc/27/76/42/823277642.db2.gz	QNEAERSEGPZRTF-UHFFFAOYSA-N	-1	0	285.274	3.402	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227606644	817680145	/nfs/dbraw/zinc/68/01/45/817680145.db2.gz	CZAASQCMIKKRSS-SECBINFHSA-N	-1	0	279.365	3.306	20	30		CGEDRM
C=CC[C@@H](Oc1ccc(O)c(C#N)c1C#N)C(C)C	ZINC001227623898	817685765	/nfs/dbraw/zinc/68/57/65/817685765.db2.gz	VAEDEYBHPAVDHJ-CQSZACIVSA-N	-1	0	256.305	3.115	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(C)c(C(=O)[O-])c1	ZINC001243193932	823284000	/nfs/dbraw/zinc/28/40/00/823284000.db2.gz	BTMYEUDLBMOEAI-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243202158	823288638	/nfs/dbraw/zinc/28/86/38/823288638.db2.gz	RNHNXFQOSJQBOC-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)cc1	ZINC001243203282	823289436	/nfs/dbraw/zinc/28/94/36/823289436.db2.gz	NAAQHZTTZQQDFY-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccccc1OCC#N	ZINC001243204071	823289855	/nfs/dbraw/zinc/28/98/55/823289855.db2.gz	CEOWTRNXIPOOAT-UHFFFAOYSA-N	-1	0	267.284	3.263	20	30		CGEDRM
Cc1cc(-c2cc(C#N)cc(C#N)c2)ccc1C(=O)[O-]	ZINC001243214511	823295805	/nfs/dbraw/zinc/29/58/05/823295805.db2.gz	FWUIZPORJTXLCS-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]ncc(=O)c1Cl)C(=C)C	ZINC001228391771	817895928	/nfs/dbraw/zinc/89/59/28/817895928.db2.gz	XZTJDZCCONFQIC-JTQLQIEISA-N	-1	0	254.717	3.125	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]ncc(=O)c2Cl)O1	ZINC001228388940	817896125	/nfs/dbraw/zinc/89/61/25/817896125.db2.gz	XXPIUAGMILTZGB-HZMBPMFUSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C#CC[C@H](C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231209656	818057583	/nfs/dbraw/zinc/05/75/83/818057583.db2.gz	CJKHGRINBPZETL-ZDUSSCGKSA-N	-1	0	280.323	3.414	20	30		CGEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCc3c(Cl)cccc3C2)c1	ZINC001232679088	818418132	/nfs/dbraw/zinc/41/81/32/818418132.db2.gz	ZVURCJMBYONCTA-UHFFFAOYSA-N	-1	0	298.773	3.476	20	30		CGEDRM
N#CCOc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)nc1	ZINC001243324303	823348116	/nfs/dbraw/zinc/34/81/16/823348116.db2.gz	YZGBKCSREHZBOJ-UHFFFAOYSA-N	-1	0	288.690	3.003	20	30		CGEDRM
N#CCc1cnc(F)c(-c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001243324728	823348442	/nfs/dbraw/zinc/34/84/42/823348442.db2.gz	AWKVRZDIWLSEQV-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
COc1ccc(CN2CCC[C@H](CC#N)C2)c(Cl)c1O	ZINC001233400336	818610954	/nfs/dbraw/zinc/61/09/54/818610954.db2.gz	DVSVHHWGFZUOJT-LLVKDONJSA-N	-1	0	294.782	3.180	20	30		CGEDRM
CCc1cc(C)c(C#N)c(O[C@@H](C)C2=CC=C[CH]2)n1	ZINC001233556662	818641398	/nfs/dbraw/zinc/64/13/98/818641398.db2.gz	QSFVMHDCYHRDMY-LBPRGKRZSA-N	-1	0	253.325	3.292	20	30		CGEDRM
C=C[C@H](C#CC(C)(C)C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835268	818715067	/nfs/dbraw/zinc/71/50/67/818715067.db2.gz	WSOLHXGVVKSCDG-CYBMUJFWSA-N	-1	0	298.338	3.482	20	30		CGEDRM
C=CC[C@@H](Oc1cc([O-])cc2occc(=O)c12)C(C)C	ZINC001233835319	818715222	/nfs/dbraw/zinc/71/52/22/818715222.db2.gz	XLIOPKYLHMBGQC-CYBMUJFWSA-N	-1	0	274.316	3.478	20	30		CGEDRM
C#C[C@@H](CCCCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331318	818839535	/nfs/dbraw/zinc/83/95/35/818839535.db2.gz	FGDUOHVRCYBGJW-LBPRGKRZSA-N	-1	0	298.275	3.119	20	30		CGEDRM
CC#CC[C@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234820046	818927681	/nfs/dbraw/zinc/92/76/81/818927681.db2.gz	OXDVLHFJTLFOME-ZDUSSCGKSA-N	-1	0	286.327	3.378	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001235028587	818982464	/nfs/dbraw/zinc/98/24/64/818982464.db2.gz	LSJVMYVBONOEKM-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
Cc1ccnc(-c2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001235029255	818983044	/nfs/dbraw/zinc/98/30/44/818983044.db2.gz	PXDUMXWVAWURFA-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc([O-])cc(Cl)c2)c1	ZINC001235905674	819215540	/nfs/dbraw/zinc/21/55/40/819215540.db2.gz	BYXPOPFHCQIJTJ-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1c(F)cc(F)c([O-])c1F	ZINC001235985739	819260298	/nfs/dbraw/zinc/26/02/98/819260298.db2.gz	PFELMGGEVDUREE-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1ccc(-c2c(F)cc(F)c([O-])c2F)c(C#N)n1	ZINC001235997861	819265780	/nfs/dbraw/zinc/26/57/80/819265780.db2.gz	IMHHHIGWACVRLN-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#Cc1cc(-c2c(F)cc(F)c([O-])c2F)nc(C2CC2)n1	ZINC001235996256	819266171	/nfs/dbraw/zinc/26/61/71/819266171.db2.gz	UNIKLMUTMKMAEL-UHFFFAOYSA-N	-1	0	291.232	3.016	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)[O-])cc2)n1	ZINC001236053954	819289782	/nfs/dbraw/zinc/28/97/82/819289782.db2.gz	OMLUAHPYTUXDNC-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])cc3)ccc12	ZINC001236061977	819294819	/nfs/dbraw/zinc/29/48/19/819294819.db2.gz	SPQRBEBQFVZPLD-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
CCOC(=O)c1cc(-c2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC001236065128	819296946	/nfs/dbraw/zinc/29/69/46/819296946.db2.gz	ZYHIYTIITPJEPX-UHFFFAOYSA-N	-1	0	295.294	3.100	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236141906	819341876	/nfs/dbraw/zinc/34/18/76/819341876.db2.gz	DKRCVYQHWZSFFE-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
[O-]/N=C/c1cc(-c2cnoc2)cc(C(F)(F)F)c1	ZINC001239189646	820226104	/nfs/dbraw/zinc/22/61/04/820226104.db2.gz	ZDQXFCHWOSWVIU-SYZQJQIISA-N	-1	0	256.183	3.169	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc(/C=C/C(=O)[O-])c1)CCC2	ZINC001240549211	821135547	/nfs/dbraw/zinc/13/55/47/821135547.db2.gz	VMIGHTCXICNJGF-BQYQJAHWSA-N	-1	0	290.322	3.207	20	30		CGEDRM
C=C(C)c1cncc(-c2ccc(C(=O)[O-])c(OC)c2)c1	ZINC001240743212	821294628	/nfs/dbraw/zinc/29/46/28/821294628.db2.gz	JGOFVUKOHYVOKD-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccc(CC(=O)[O-])cc2)cn1	ZINC001240975678	821459230	/nfs/dbraw/zinc/45/92/30/821459230.db2.gz	WWFKEDQMCIODPK-UHFFFAOYSA-N	-1	0	280.327	3.177	20	30		CGEDRM
N#Cc1nc2c(cccc2-c2ccc(CC(=O)[O-])cc2)s1	ZINC001240975945	821459526	/nfs/dbraw/zinc/45/95/26/821459526.db2.gz	FUVBSPIQWUHJKW-UHFFFAOYSA-N	-1	0	294.335	3.462	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(C(=O)[O-])ccc2C)nc1C	ZINC001240999180	821477632	/nfs/dbraw/zinc/47/76/32/821477632.db2.gz	IWWIXRZSZVRUHC-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1[nH]ccc2ncc(C#N)c1-2	ZINC001241000042	821478384	/nfs/dbraw/zinc/47/83/84/821478384.db2.gz	CJZDXAICWASDTC-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
O=C([O-])c1ccc(-c2cc(/C=N/O)ccc2F)cc1F	ZINC001241186352	821623631	/nfs/dbraw/zinc/62/36/31/821623631.db2.gz	IXMCWOVNXZTOCH-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(Cl)c2)c(/C=N/O)c1	ZINC001241347072	821750845	/nfs/dbraw/zinc/75/08/45/821750845.db2.gz	RJLAPQPSOHJDKY-REZTVBANSA-N	-1	0	290.706	3.217	20	30		CGEDRM
N#CC1(c2ccnc(-c3cccc(C(=O)[O-])c3)c2)CC1	ZINC001241357949	821759032	/nfs/dbraw/zinc/75/90/32/821759032.db2.gz	LUQMXWGIQXLRLZ-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
Cc1nc(-c2cc(F)cc(C(=O)[O-])c2)c(C#N)c(C)c1C	ZINC001241821003	822162120	/nfs/dbraw/zinc/16/21/20/822162120.db2.gz	GFCKGXXERFZEKZ-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
COc1ccc(-c2ccc(C#N)c3[nH]ccc32)cc1C(=O)[O-]	ZINC001241874569	822190275	/nfs/dbraw/zinc/19/02/75/822190275.db2.gz	GNYXSVAAOWVPRV-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1ccc(-c2ccc(F)cc2CC#N)cc1C(=O)[O-]	ZINC001241874808	822191304	/nfs/dbraw/zinc/19/13/04/822191304.db2.gz	MWIBZMMDORJQEQ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(C#N)n1	ZINC001242153540	822896990	/nfs/dbraw/zinc/89/69/90/822896990.db2.gz	ZHNRFRIQBITJLL-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1cccc(CC(=O)[O-])c1	ZINC001242262130	822929343	/nfs/dbraw/zinc/92/93/43/822929343.db2.gz	ISQODVNOFUONCS-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cccc(CC(=O)[O-])c1	ZINC001242265333	822930568	/nfs/dbraw/zinc/93/05/68/822930568.db2.gz	DDWAFHIHRAQPKN-UHFFFAOYSA-N	-1	0	285.274	3.000	20	30		CGEDRM
N#Cc1cc2ccc(-c3ccc(C(=O)[O-])nc3)cc2cc1C#N	ZINC001242338351	822954837	/nfs/dbraw/zinc/95/48/37/822954837.db2.gz	VFGWENRIANNCDP-UHFFFAOYSA-N	-1	0	299.289	3.343	20	30		CGEDRM
N#Cc1c(F)cc(-c2cccc(C(=O)[O-])c2F)cc1F	ZINC001242378991	822973815	/nfs/dbraw/zinc/97/38/15/822973815.db2.gz	BLRNTTSRPWCDGF-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
Cc1cccc(-c2cccc(C(=O)[O-])c2F)c1C#N	ZINC001242379698	822974328	/nfs/dbraw/zinc/97/43/28/822974328.db2.gz	XZEOAWFUXBAADM-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc2[nH]c(C#N)cc2c1	ZINC001242391192	822979261	/nfs/dbraw/zinc/97/92/61/822979261.db2.gz	XPCCWJGZUHBZGM-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(CS)c1	ZINC001242392197	822979710	/nfs/dbraw/zinc/97/97/10/822979710.db2.gz	ODBAVSHZGNJDRB-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/O)c(F)c1	ZINC001242392179	822979720	/nfs/dbraw/zinc/97/97/20/822979720.db2.gz	MYDUSBZGNYWIJC-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
N#Cc1cc(-c2cc(F)c(C#N)c(F)c2)ccc1[O-]	ZINC001242564823	823035724	/nfs/dbraw/zinc/03/57/24/823035724.db2.gz	WGSUAEPLCSBAQP-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
C=C1CCC(C(=O)N2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)CC1	ZINC001346371618	936846698	/nfs/dbraw/zinc/84/66/98/936846698.db2.gz	TXJWUYDSLKRKQR-JLNYLFASSA-N	-1	0	293.407	3.079	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C	ZINC001454239205	937407629	/nfs/dbraw/zinc/40/76/29/937407629.db2.gz	GVUYMBJPQWTBHM-AWEZNQCLSA-N	-1	0	297.782	3.367	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]c(=O)ccc1C#N	ZINC001228900052	932047811	/nfs/dbraw/zinc/04/78/11/932047811.db2.gz	BWXBOURMPVOYRK-FPMFFAJLSA-N	-1	0	272.348	3.419	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885416	932636243	/nfs/dbraw/zinc/63/62/43/932636243.db2.gz	KGINOCWMJPGJIL-JOYOIKCWSA-N	-1	0	288.734	3.170	20	30		CGEDRM
C#C[C@](C)(CC)NC(=S)[N-]c1ccccc1SC	ZINC001249713533	932717998	/nfs/dbraw/zinc/71/79/98/932717998.db2.gz	NAUHHPZPCOMJHE-CQSZACIVSA-N	-1	0	278.446	3.497	20	30		CGEDRM
CCCCCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001466119863	937706674	/nfs/dbraw/zinc/70/66/74/937706674.db2.gz	MIQDTBZZXLJMDN-UHFFFAOYSA-N	-1	0	294.351	3.391	20	30		CGEDRM
C=CC[C@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001321203910	934163482	/nfs/dbraw/zinc/16/34/82/934163482.db2.gz	LXGLQIOZTZJPIG-KGLIPLIRSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CC(C)(C)ON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC001321830188	934216108	/nfs/dbraw/zinc/21/61/08/934216108.db2.gz	YSHRRRFCQGGWFC-LBPRGKRZSA-N	-1	0	261.321	3.168	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](OCCC)c1ccc(F)cc1C	ZINC001470616574	937755843	/nfs/dbraw/zinc/75/58/43/937755843.db2.gz	PAGFVJPTEPATBP-OAHLLOKOSA-N	-1	0	295.354	3.226	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001324939905	934875163	/nfs/dbraw/zinc/87/51/63/934875163.db2.gz	AIRDSCJVXAWWOU-UHFFFAOYSA-N	-1	0	273.332	3.400	20	30		CGEDRM
COc1cc(C)sc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001516711663	938009520	/nfs/dbraw/zinc/00/95/20/938009520.db2.gz	XKOBVUDWMINKAS-SECBINFHSA-N	-1	0	290.319	3.089	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cs1	ZINC001556529043	938204391	/nfs/dbraw/zinc/20/43/91/938204391.db2.gz	ASVXABSHFVBTHC-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
C#C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1	ZINC001602672951	971239341	/nfs/dbraw/zinc/23/93/41/971239341.db2.gz	RMAKEMRXAVZPPP-CYBMUJFWSA-N	-1	0	289.331	3.050	20	30		CGEDRM
CCCCCCCCC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000383052240	951236095	/nfs/dbraw/zinc/23/60/95/951236095.db2.gz	NKGRIGHGYPUIAW-LBPRGKRZSA-N	-1	0	269.385	3.201	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000398065588	951581725	/nfs/dbraw/zinc/58/17/25/951581725.db2.gz	DSDOSBZAWYQLLY-KBPBESRZSA-N	-1	0	296.411	3.018	20	30		CGEDRM
CC(C)CN(CCC#N)Cc1cccc(C(=O)[O-])c1Cl	ZINC000382230239	971804519	/nfs/dbraw/zinc/80/45/19/971804519.db2.gz	VGIPGJUICYIBIM-UHFFFAOYSA-N	-1	0	294.782	3.410	20	30		CGEDRM
CCCCCCCCC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000059214919	957561346	/nfs/dbraw/zinc/56/13/46/957561346.db2.gz	IBMRJWUIDDKLRU-UHFFFAOYSA-N	-1	0	298.408	3.459	20	30		CGEDRM
CCCCCCCCNC(=O)c1cc(C(=O)[O-])co1	ZINC000228151043	959992937	/nfs/dbraw/zinc/99/29/37/959992937.db2.gz	JOKZCLQCKWZUIH-UHFFFAOYSA-N	-1	0	267.325	3.068	20	30		CGEDRM
C=CC[C@H](OC(=O)C1(CC)CCC(F)(F)CC1)C(=O)[O-]	ZINC001588752525	960488964	/nfs/dbraw/zinc/48/89/64/960488964.db2.gz	YDJCJHOJGVJEAR-JTQLQIEISA-N	-1	0	290.306	3.165	20	30		CGEDRM
C#Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(Cl)c1	ZINC001573327611	962236689	/nfs/dbraw/zinc/23/66/89/962236689.db2.gz	SBSVITOJCXBYTA-LBPRGKRZSA-N	-1	0	293.750	3.007	20	30		CGEDRM
CCCCCCCNc1ncc(-c2nn[nH]n2)cc1Cl	ZINC001577504664	962553678	/nfs/dbraw/zinc/55/36/78/962553678.db2.gz	COSCHJKYDGYPSZ-UHFFFAOYSA-N	-1	0	294.790	3.297	20	30		CGEDRM
C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1CC2CCC1CC2	ZINC001583397240	962802979	/nfs/dbraw/zinc/80/29/79/962802979.db2.gz	HVOOESIXSIWTDM-ITDKRANNSA-N	-1	0	298.386	3.208	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](Oc1ccccc1)c1ccccc1	ZINC001583408114	962804287	/nfs/dbraw/zinc/80/42/87/962804287.db2.gz	JXIRPDZGSGVOPR-WMLDXEAASA-N	-1	0	297.354	3.429	20	30		CGEDRM
C=CC(C)(C)CC(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001573346982	962945290	/nfs/dbraw/zinc/94/52/90/962945290.db2.gz	IHGULERUHYJZEI-UHFFFAOYSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=CCC(C)(C)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588736841	963157922	/nfs/dbraw/zinc/15/79/22/963157922.db2.gz	WRSWFSUTTBKTHN-NEPJUHHUSA-N	-1	0	268.353	3.023	20	30		CGEDRM
C=CC(C)(C)CC(=O)OCc1ccc(C(=O)[O-])cc1	ZINC001588450623	963269353	/nfs/dbraw/zinc/26/93/53/963269353.db2.gz	VZSFDSNYJZJRGG-UHFFFAOYSA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=C(C)CCSCc1cc(F)ccc1-c1nn[nH]n1	ZINC001588424017	963272064	/nfs/dbraw/zinc/27/20/64/963272064.db2.gz	FFVCBYYFCRVIES-UHFFFAOYSA-N	-1	0	278.356	3.205	20	30		CGEDRM
C=CCC1(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)CCCC1	ZINC001588457666	963274140	/nfs/dbraw/zinc/27/41/40/963274140.db2.gz	IKIWDKXCTBHNBE-MRXNPFEDSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1nc(CCCC(=O)[O-])cs1	ZINC001588530295	963280413	/nfs/dbraw/zinc/28/04/13/963280413.db2.gz	YMQDWQSWCDDDMG-UHFFFAOYSA-N	-1	0	296.392	3.091	20	30		CGEDRM
C=C(C)CCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC001588554374	963286568	/nfs/dbraw/zinc/28/65/68/963286568.db2.gz	GMYDVMKARZKQDR-CQSZACIVSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(C)C[C@@H](Nc1cc(Cl)nc(C2CCC2)n1)C(=O)[O-]	ZINC001588555985	963286627	/nfs/dbraw/zinc/28/66/27/963286627.db2.gz	YVYAMDJDHVTUAW-SNVBAGLBSA-N	-1	0	295.770	3.229	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC001588606333	963290583	/nfs/dbraw/zinc/29/05/83/963290583.db2.gz	XHWGZHOVDXHOHM-ZFWWWQNUSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC2(CCCCC2)CC1	ZINC001588615431	963295176	/nfs/dbraw/zinc/29/51/76/963295176.db2.gz	UEKGFTHPFCRSQT-UHFFFAOYSA-N	-1	0	293.407	3.370	20	30		CGEDRM
C=C(CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1	ZINC001588605613	963295283	/nfs/dbraw/zinc/29/52/83/963295283.db2.gz	IIFNZPVWNOYEFZ-INIZCTEOSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=CC(C)(C)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001588681287	963296040	/nfs/dbraw/zinc/29/60/40/963296040.db2.gz	VHZRDVCGENDCKG-NSHDSACASA-N	-1	0	290.363	3.036	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC001588682681	963296098	/nfs/dbraw/zinc/29/60/98/963296098.db2.gz	PVZCNMGZWQYCOY-HNNXBMFYSA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1c(CC)cccc1C(=O)[O-]	ZINC001588673498	963296192	/nfs/dbraw/zinc/29/61/92/963296192.db2.gz	ZWCDEMALLACUDN-UHFFFAOYSA-N	-1	0	275.348	3.488	20	30		CGEDRM
C=C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1	ZINC001588663506	963298036	/nfs/dbraw/zinc/29/80/36/963298036.db2.gz	HYVVUWNMVKHPQP-ZDUSSCGKSA-N	-1	0	299.301	3.432	20	30		CGEDRM
C=C[C@H](Nc1ccc(OC2CCCC2)c(F)c1)C(=O)[O-]	ZINC001588702352	963303099	/nfs/dbraw/zinc/30/30/99/963303099.db2.gz	QVWCLIUOCQNFRL-ZDUSSCGKSA-N	-1	0	279.311	3.198	20	30		CGEDRM
C=C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C	ZINC001588712892	963304816	/nfs/dbraw/zinc/30/48/16/963304816.db2.gz	ZXYHRMJWGBYSGX-ZDUSSCGKSA-N	-1	0	276.332	3.071	20	30		CGEDRM
C=C[C@@H](N[C@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-]	ZINC001588693276	963304825	/nfs/dbraw/zinc/30/48/25/963304825.db2.gz	VNHUXMNACAERKA-ZWNOBZJWSA-N	-1	0	289.331	3.040	20	30		CGEDRM
C=CCCC[C@H](NC(=O)OCc1ccccc1C)C(=O)[O-]	ZINC001588794354	963313892	/nfs/dbraw/zinc/31/38/92/963313892.db2.gz	RPVGGZAPTZREMC-AWEZNQCLSA-N	-1	0	291.347	3.031	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(Cl)cc1C)C(=O)[O-]	ZINC001588793059	963314205	/nfs/dbraw/zinc/31/42/05/963314205.db2.gz	RPYWTRKCIJBVGK-CYBMUJFWSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C#CC1(NC(=O)c2cc(Cl)cc(Cl)c2[O-])CCCC1	ZINC001588776467	963314878	/nfs/dbraw/zinc/31/48/78/963314878.db2.gz	ZOOQHNMOVYZZKZ-UHFFFAOYSA-N	-1	0	298.169	3.375	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001588786587	963318638	/nfs/dbraw/zinc/31/86/38/963318638.db2.gz	PWRMOOOXEAEGJA-GJZGRUSLSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)C1CC1	ZINC001588820862	963323728	/nfs/dbraw/zinc/32/37/28/963323728.db2.gz	WZTLCGBONAWMEX-UHFFFAOYSA-N	-1	0	292.310	3.015	20	30		CGEDRM
C[C@@H](C#N)CN(Cc1cccc(C(=O)[O-])c1Cl)C1CC1	ZINC001589330367	963986671	/nfs/dbraw/zinc/98/66/71/963986671.db2.gz	BPNZZCZXAKSVGO-JTQLQIEISA-N	-1	0	292.766	3.162	20	30		CGEDRM
CC(C)(C)[C@H](C#N)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001589699782	964019378	/nfs/dbraw/zinc/01/93/78/964019378.db2.gz	RRRWCWJDBUDUHW-NSHDSACASA-N	-1	0	295.722	3.133	20	30		CGEDRM
Cc1ccc(C#N)cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001605207175	972948538	/nfs/dbraw/zinc/94/85/38/972948538.db2.gz	LGOOBAOXURGIOQ-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
Cc1ccc(OCc2ccc(CC#N)cc2)c(C(=O)[O-])c1	ZINC000399139356	973193950	/nfs/dbraw/zinc/19/39/50/973193950.db2.gz	UEDLZPLNWWMUEU-UHFFFAOYSA-N	-1	0	281.311	3.338	20	30		CGEDRM
CC(C)c1cnc(CON=Cc2ccc(C(=O)[O-])cc2)o1	ZINC001592003110	976658021	/nfs/dbraw/zinc/65/80/21/976658021.db2.gz	UQVXDAUNXJISFV-UHFFFAOYSA-N	-1	0	288.303	3.047	20	30		CGEDRM
CC(CC1CCOCC1)N=Nc1cccc(C(=O)[O-])c1F	ZINC001592463499	978188633	/nfs/dbraw/zinc/18/86/33/978188633.db2.gz	CHNINJUXDNFCJK-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CCCC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595631301	981836767	/nfs/dbraw/zinc/83/67/67/981836767.db2.gz	KBFPEEKWELNXFP-SMDDNHRTSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCCCCCCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001595704449	982275390	/nfs/dbraw/zinc/27/53/90/982275390.db2.gz	NNBXSVVVADMFPJ-LUAWRHEFSA-N	-1	0	293.363	3.468	20	30		CGEDRM
CC[C@H](C)C[C@@H](Nc1ncc(Cl)c(C)c1C#N)C(=O)[O-]	ZINC001594952417	982668990	/nfs/dbraw/zinc/66/89/90/982668990.db2.gz	IJQYULSIUADWQO-QPUJVOFHSA-N	-1	0	295.770	3.216	20	30		CGEDRM
CC(C)(C)CCCCNc1ccc(C(=O)[O-])nc1C#N	ZINC001589772074	988130110	/nfs/dbraw/zinc/13/01/10/988130110.db2.gz	YXUWYTDVQLPTGT-UHFFFAOYSA-N	-1	0	275.352	3.280	20	30		CGEDRM
CC(C)CN(CC(C)(C)C(=O)[O-])c1cccc(F)c1C#N	ZINC001591314100	992280294	/nfs/dbraw/zinc/28/02/94/992280294.db2.gz	LXTVDBBPHDKYFC-UHFFFAOYSA-N	-1	0	292.354	3.271	20	30		CGEDRM
C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(CC#N)cc1	ZINC001594185746	998719718	/nfs/dbraw/zinc/71/97/18/998719718.db2.gz	RPOKMLGQUCOEFM-KYOSRNDESA-N	-1	0	272.348	3.054	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001594367452	999388847	/nfs/dbraw/zinc/38/88/47/999388847.db2.gz	SXVCNUNKFRJHNO-NWDGAFQWSA-N	-1	0	287.363	3.280	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001594367451	999389108	/nfs/dbraw/zinc/38/91/08/999389108.db2.gz	SXVCNUNKFRJHNO-NEPJUHHUSA-N	-1	0	287.363	3.280	20	30		CGEDRM
Cc1nsc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1C#N	ZINC000593326618	347064024	/nfs/dbraw/zinc/06/40/24/347064024.db2.gz	IEWDJHZNGSQTJL-AAEUAGOBSA-N	-1	0	299.355	3.048	20	30		CGEDRM
N#Cc1ccc(NCCCCC(=O)[O-])cc1C(F)(F)F	ZINC000070200331	345389753	/nfs/dbraw/zinc/38/97/53/345389753.db2.gz	YGZNIKQQESVSMD-UHFFFAOYSA-N	-1	0	286.253	3.244	20	30		CGEDRM
Cc1sc(/C=C/c2ccc(C#N)cc2)nc1C(=O)[O-]	ZINC000339114703	214962711	/nfs/dbraw/zinc/96/27/11/214962711.db2.gz	UGFNZFNFLDLJRW-VOTSOKGWSA-N	-1	0	270.313	3.192	20	30		CGEDRM
Cc1cc(C)c(C#N)c(NC[C@H](CC(=O)[O-])CC(C)C)n1	ZINC000088274384	345758599	/nfs/dbraw/zinc/75/85/99/345758599.db2.gz	XNGGIBVAQQEJGZ-ZDUSSCGKSA-N	-1	0	289.379	3.119	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1	ZINC000176997132	232352030	/nfs/dbraw/zinc/35/20/30/232352030.db2.gz	GBVVLGSZLWPMJR-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)c(NCC2(C(=O)[O-])CCC2)c1	ZINC000595978493	347373293	/nfs/dbraw/zinc/37/32/93/347373293.db2.gz	WBANKBDKICYMIG-UHFFFAOYSA-N	-1	0	298.264	3.244	20	30		CGEDRM
CC(=Cc1csc(C)c1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000601044061	347855466	/nfs/dbraw/zinc/85/54/66/347855466.db2.gz	MHDCXEUEUXXBAE-VMPITWQZSA-N	-1	0	285.372	3.189	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(C3CC3)cc2=O)c(C(F)(F)F)c1	ZINC000601950052	347928469	/nfs/dbraw/zinc/92/84/69/347928469.db2.gz	SXGFLXWUVBVELL-UHFFFAOYSA-N	-1	0	293.248	3.080	20	30		CGEDRM
Cc1[n-]n(-c2ccccc2C(F)(F)F)c(=O)c1CCC#N	ZINC000603923945	348102991	/nfs/dbraw/zinc/10/29/91/348102991.db2.gz	SGRWQFBBQVBEKV-SNVBAGLBSA-N	-1	0	295.264	3.348	20	30		CGEDRM
C=CCN=c1[n-]nc(SCc2c(C)cccc2C)s1	ZINC000606148652	348171318	/nfs/dbraw/zinc/17/13/18/348171318.db2.gz	PGOCHQICDFSQBN-UHFFFAOYSA-N	-1	0	291.445	3.467	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000617781330	349010089	/nfs/dbraw/zinc/01/00/89/349010089.db2.gz	KALGNOBLOYZZFU-SNVBAGLBSA-N	-1	0	281.302	3.099	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000628485598	350554902	/nfs/dbraw/zinc/55/49/02/350554902.db2.gz	PDPYYOSILZMKQR-JTQLQIEISA-N	-1	0	265.740	3.084	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)CCc1ccccc1C(=O)[O-]	ZINC000630228546	350817761	/nfs/dbraw/zinc/81/77/61/350817761.db2.gz	APOGLCVCJBSQNX-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-]	ZINC000630317887	350823527	/nfs/dbraw/zinc/82/35/27/350823527.db2.gz	UZQFJIUNWMSEEX-OAHLLOKOSA-N	-1	0	289.375	3.034	20	30		CGEDRM
Cc1conc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000633922181	351398743	/nfs/dbraw/zinc/39/87/43/351398743.db2.gz	AGHSWPQWNKDGRF-SECBINFHSA-N	-1	0	275.333	3.053	20	30		CGEDRM
O=C(/C=C/c1ccc(F)cc1F)c1ccc(O)cc1[O-]	ZINC000027519700	368871664	/nfs/dbraw/zinc/87/16/64/368871664.db2.gz	JQBFSNVYXXXQLY-QHHAFSJGSA-N	-1	0	276.238	3.272	20	30		CGEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518922	369357036	/nfs/dbraw/zinc/35/70/36/369357036.db2.gz	XLCHAACLPXEHNG-UHFFFAOYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)n[nH]1	ZINC000054735532	369506392	/nfs/dbraw/zinc/50/63/92/369506392.db2.gz	HFAIJBGQVOTJBH-JTQLQIEISA-N	-1	0	294.314	3.164	20	30		CGEDRM
CCSCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000155096090	371905397	/nfs/dbraw/zinc/90/53/97/371905397.db2.gz	LDJHVOFVGSAYIX-UHFFFAOYSA-N	-1	0	281.425	3.095	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2ccc([O-])c(F)c2)c1C	ZINC000170851738	372671835	/nfs/dbraw/zinc/67/18/35/372671835.db2.gz	RBZCLWZHRURPEZ-SOFGYWHQSA-N	-1	0	288.322	3.261	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000294863871	372676143	/nfs/dbraw/zinc/67/61/43/372676143.db2.gz	AIWPRXHDMPFZAQ-UHFFFAOYSA-N	-1	0	257.692	3.335	20	30		CGEDRM
CCCCC1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000298386146	373310168	/nfs/dbraw/zinc/31/01/68/373310168.db2.gz	CJPMLEGMDQBWAC-UHFFFAOYSA-N	-1	0	299.378	3.088	20	30		CGEDRM
C=CCN=c1[n-]nc(SCc2cc(F)ccc2C)s1	ZINC000445590055	373314151	/nfs/dbraw/zinc/31/41/51/373314151.db2.gz	AVQBMDHORRFDGJ-UHFFFAOYSA-N	-1	0	295.408	3.298	20	30		CGEDRM
Cc1cscc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C	ZINC000175083336	373406516	/nfs/dbraw/zinc/40/65/16/373406516.db2.gz	LKUBEEUYUZKUDL-LLVKDONJSA-N	-1	0	295.367	3.433	20	30		CGEDRM
C=C(C)CN(CC)c1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1	ZINC000301731238	373800938	/nfs/dbraw/zinc/80/09/38/373800938.db2.gz	PDIWSTAAAUTOAB-UHFFFAOYSA-N	-1	0	298.390	3.263	20	30		CGEDRM
O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1csc(=O)[nH]1	ZINC000329943976	374444786	/nfs/dbraw/zinc/44/47/86/374444786.db2.gz	DWEHVBLUDGEDCN-JTQLQIEISA-N	-1	0	296.392	3.035	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1NCc1cccc(C#N)c1	ZINC000340700081	377225123	/nfs/dbraw/zinc/22/51/23/377225123.db2.gz	ZKWCYTHEFCRAKF-UHFFFAOYSA-N	-1	0	280.327	3.485	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(F)ccc1F	ZINC000341353388	377524675	/nfs/dbraw/zinc/52/46/75/377524675.db2.gz	PRMSCSLPEJOIRO-KTAJNNJTSA-N	-1	0	286.237	3.100	20	30		CGEDRM
C=CCCCCC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000573855709	377585940	/nfs/dbraw/zinc/58/59/40/377585940.db2.gz	SQTGDAILTKWSLM-UHFFFAOYSA-N	-1	0	265.353	3.464	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000272468618	378645473	/nfs/dbraw/zinc/64/54/73/378645473.db2.gz	YWCMVRMPDJZHST-UHFFFAOYSA-N	-1	0	292.335	3.119	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1	ZINC000275161613	378945280	/nfs/dbraw/zinc/94/52/80/378945280.db2.gz	CGUIDJDIRBKWRJ-LBPRGKRZSA-N	-1	0	287.281	3.347	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000398112083	379926615	/nfs/dbraw/zinc/92/66/15/379926615.db2.gz	YXINKIGLXVZCEV-XJKSGUPXSA-N	-1	0	296.411	3.160	20	30		CGEDRM
CC(C)(C)Oc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1	ZINC000354460715	380448825	/nfs/dbraw/zinc/44/88/25/380448825.db2.gz	FRHGFEOLHFXVNU-CQSZACIVSA-N	-1	0	295.342	3.144	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1cc(C(F)(F)F)ccn1	ZINC000362137299	381885635	/nfs/dbraw/zinc/88/56/35/381885635.db2.gz	IHOHWZPUXRALBI-MRVPVSSYSA-N	-1	0	297.261	3.047	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)c2cc(C(=O)[O-])co2)CCCC1(C)C	ZINC000668320920	543006223	/nfs/dbraw/zinc/00/62/23/543006223.db2.gz	KCUGZIXSTGTAST-ZDUSSCGKSA-N	-1	0	291.347	3.185	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000659244191	418966439	/nfs/dbraw/zinc/96/64/39/418966439.db2.gz	WIVYZVNCPDKGIQ-UHFFFAOYSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=CCCC1(CNC(=O)c2cc(C(=O)[O-])co2)CCCC1	ZINC000659167631	418963477	/nfs/dbraw/zinc/96/34/77/418963477.db2.gz	YQFDBGXLIHNJGY-UHFFFAOYSA-N	-1	0	291.347	3.234	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655581272	419059434	/nfs/dbraw/zinc/05/94/34/419059434.db2.gz	WXGOKMYNHHXCPZ-FPMFFAJLSA-N	-1	0	293.407	3.006	20	30		CGEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000353876792	228161614	/nfs/dbraw/zinc/16/16/14/228161614.db2.gz	MFVCWMJFYYLTBJ-JTQLQIEISA-N	-1	0	273.361	3.393	20	30		CGEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)c1cccs1	ZINC000042243228	260613296	/nfs/dbraw/zinc/61/32/96/260613296.db2.gz	PRBCZUARXDYUIL-UHFFFAOYSA-N	-1	0	287.406	3.364	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000364066797	262133798	/nfs/dbraw/zinc/13/37/98/262133798.db2.gz	NZPPLTUFZBWKTB-VIFPVBQESA-N	-1	0	293.417	3.229	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000293728876	263148235	/nfs/dbraw/zinc/14/82/35/263148235.db2.gz	SYSQVIUYNRHISN-VIFPVBQESA-N	-1	0	293.100	3.329	20	30		CGEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000342391330	263429152	/nfs/dbraw/zinc/42/91/52/263429152.db2.gz	YTNFQZAADUVHDZ-LBPRGKRZSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C	ZINC000330752667	264030091	/nfs/dbraw/zinc/03/00/91/264030091.db2.gz	COZIKIICLBYTKN-BFVZDQMLSA-N	-1	0	292.335	3.430	20	30		CGEDRM
Cc1ccc2c(c1)scc2C([O-])=C(C#N)c1ccncn1	ZINC000361793073	266884747	/nfs/dbraw/zinc/88/47/47/266884747.db2.gz	UJNOCPSHDFMEHF-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl	ZINC000192704329	268162172	/nfs/dbraw/zinc/16/21/72/268162172.db2.gz	OCRSVWNTLYNSPB-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1cccc(C)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188735543	327758542	/nfs/dbraw/zinc/75/85/42/327758542.db2.gz	MTWMVSTWHOMVJJ-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1F	ZINC000357801934	327181133	/nfs/dbraw/zinc/18/11/33/327181133.db2.gz	NKDUXAIAKWKQKK-SNVBAGLBSA-N	-1	0	290.319	3.089	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000191001117	329405745	/nfs/dbraw/zinc/40/57/45/329405745.db2.gz	WTFQUXGVWUUWHK-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=C[C@@H](CC(=O)N(CC(=O)[O-])[C@@H](C)CC)c1ccccc1	ZINC000262826159	330034364	/nfs/dbraw/zinc/03/43/64/330034364.db2.gz	WUCADCVOTHAUIL-KBPBESRZSA-N	-1	0	289.375	3.058	20	30		CGEDRM
Cc1nc(=N[C@H](CCCC#N)c2ccccc2)s[n-]1	ZINC000431495127	330585615	/nfs/dbraw/zinc/58/56/15/330585615.db2.gz	OWIYLUIGWPCAOV-CYBMUJFWSA-N	-1	0	272.377	3.116	20	30		CGEDRM
C=CCCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000436798686	330685523	/nfs/dbraw/zinc/68/55/23/330685523.db2.gz	VEIBNPUZYQEQRW-UHFFFAOYSA-N	-1	0	274.147	3.395	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1ccc(C(C)C)s1)C(=O)[O-]	ZINC000448997700	330890582	/nfs/dbraw/zinc/89/05/82/330890582.db2.gz	VEDQFFXCUGQFOP-JTQLQIEISA-N	-1	0	281.377	3.021	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)s1	ZINC000178700851	333076865	/nfs/dbraw/zinc/07/68/65/333076865.db2.gz	IKAMOLOULXHINW-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2conc2C(C)C)n1	ZINC000528910389	333464084	/nfs/dbraw/zinc/46/40/84/333464084.db2.gz	ROBGFIUWHIIGDF-SECBINFHSA-N	-1	0	275.333	3.053	20	30		CGEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000581167838	336018115	/nfs/dbraw/zinc/01/81/15/336018115.db2.gz	GBPAUZMXOCUWBZ-NOZJJQNGSA-N	-1	0	299.729	3.104	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)n1	ZINC000338863115	500996267	/nfs/dbraw/zinc/99/62/67/500996267.db2.gz	UKCZGDXMEPGMAV-GFCCVEGCSA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CCOc1cccc(CN=c2[n-]nc(CCC)s2)c1	ZINC000347815178	526901455	/nfs/dbraw/zinc/90/14/55/526901455.db2.gz	MKGWULXZOBTTMZ-UHFFFAOYSA-N	-1	0	289.404	3.089	20	30		CGEDRM
O=C([O-])c1cc(NN=Cc2ccoc2)ccc1Cl	ZINC000727249985	571733859	/nfs/dbraw/zinc/73/38/59/571733859.db2.gz	CHTJMVKMLHZWHP-UHFFFAOYSA-N	-1	0	264.668	3.077	20	30		CGEDRM
Cc1cc(C(C)N=Nc2ccccc2C(=O)[O-])ccc1O	ZINC000728226801	571796465	/nfs/dbraw/zinc/79/64/65/571796465.db2.gz	ZUVXLOPSZAZKPR-UHFFFAOYSA-N	-1	0	284.315	3.235	20	30		CGEDRM
COc1c(O)cccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728439198	571806009	/nfs/dbraw/zinc/80/60/09/571806009.db2.gz	XDZDDHKAYPDQIJ-FNORWQNLSA-N	-1	0	288.274	3.142	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cccc(O)c2)cs1	ZINC000730148354	571951641	/nfs/dbraw/zinc/95/16/41/571951641.db2.gz	FGOZSTBLQASCGJ-PLNGDYQASA-N	-1	0	274.297	3.048	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccsc2)cs1	ZINC000730148629	571951841	/nfs/dbraw/zinc/95/18/41/571951841.db2.gz	IKZPHENIYYBDMN-OWOJBTEDSA-N	-1	0	264.327	3.404	20	30		CGEDRM
Cc1ccc2c(c1C)C(=O)/C(=C/c1ccoc1C(=O)[O-])CO2	ZINC000738669164	572395911	/nfs/dbraw/zinc/39/59/11/572395911.db2.gz	AZUYQDWPNHNGCQ-KPKJPENVSA-N	-1	0	298.294	3.253	20	30		CGEDRM
O=C([O-])N1CCC[C@@H]1C/N=C/c1c(O)ccc2ccccc21	ZINC000740518344	572444428	/nfs/dbraw/zinc/44/44/28/572444428.db2.gz	DWKVIKFCEUJXQZ-VBEHJTROSA-N	-1	0	298.342	3.107	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C12CCC2	ZINC000741160001	572486283	/nfs/dbraw/zinc/48/62/83/572486283.db2.gz	IVRFMOCLDGIVOQ-AWEZNQCLSA-N	-1	0	288.347	3.132	20	30		CGEDRM
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-]	ZINC000737695271	572560279	/nfs/dbraw/zinc/56/02/79/572560279.db2.gz	OFUMXDURMBNWBM-NSHDSACASA-N	-1	0	282.299	3.236	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC(C(C)C)C2CCCCC2)n1	ZINC000733902207	572611366	/nfs/dbraw/zinc/61/13/66/572611366.db2.gz	NUPCWHXYMVRHEJ-UHFFFAOYSA-N	-1	0	276.384	3.495	20	30		CGEDRM
C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC000736695714	572805484	/nfs/dbraw/zinc/80/54/84/572805484.db2.gz	DOAIRSDNSFIHGU-NSHDSACASA-N	-1	0	295.294	3.174	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccon1	ZINC000747863452	572951882	/nfs/dbraw/zinc/95/18/82/572951882.db2.gz	CWDFVYWAGKMWAR-LHHJGKSTSA-N	-1	0	271.103	3.306	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1	ZINC000748005517	572957386	/nfs/dbraw/zinc/95/73/86/572957386.db2.gz	RGZRJLXSSNXXST-KBPBESRZSA-N	-1	0	296.301	3.145	20	30		CGEDRM
CC[C@H](Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410410	572975854	/nfs/dbraw/zinc/97/58/54/572975854.db2.gz	LGTXKBLLVQUYBB-OAHLLOKOSA-N	-1	0	294.354	3.471	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Cc3ccc(F)cc3C2=O)cc1	ZINC000749006223	572988181	/nfs/dbraw/zinc/98/81/81/572988181.db2.gz	SIWNSUKLCVHMBT-QPEQYQDCSA-N	-1	0	282.270	3.346	20	30		CGEDRM
CC(C)[C@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000817951497	597016383	/nfs/dbraw/zinc/01/63/83/597016383.db2.gz	IYOROVUUBDRIMS-MBBOSUJBSA-N	-1	0	271.316	3.074	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000048813980	600510296	/nfs/dbraw/zinc/51/02/96/600510296.db2.gz	WDNIGQLMOYBPJN-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
C=C(C)CCOC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC000825642048	600962627	/nfs/dbraw/zinc/96/26/27/600962627.db2.gz	FEGBXPUFIRJRGG-UHFFFAOYSA-N	-1	0	279.336	3.097	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(Nc2ncccc2C#N)cc1	ZINC000826127439	601225197	/nfs/dbraw/zinc/22/51/97/601225197.db2.gz	UZFQKHYSRYMXAF-UHFFFAOYSA-N	-1	0	281.315	3.059	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000829618837	601332528	/nfs/dbraw/zinc/33/25/28/601332528.db2.gz	KVFRWTUWRJUSKD-XFFZJAGNSA-N	-1	0	298.342	3.065	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cc(Cl)ccc2Cl)[nH]1	ZINC000751895344	601365313	/nfs/dbraw/zinc/36/53/13/601365313.db2.gz	LCOVYZMOSDGLJS-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CNc1ccc(F)c(C#N)c1	ZINC000830379107	601390991	/nfs/dbraw/zinc/39/09/91/601390991.db2.gz	JNZDUOWJLRFFJY-UHFFFAOYSA-N	-1	0	288.278	3.163	20	30		CGEDRM
N#CC1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCCCC1	ZINC000833063863	601403622	/nfs/dbraw/zinc/40/36/22/601403622.db2.gz	BRRSBSVWQDURNM-UHFFFAOYSA-N	-1	0	297.314	3.160	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1ccc(C#N)cc1	ZINC000830355268	601412032	/nfs/dbraw/zinc/41/20/32/601412032.db2.gz	GRJJQXGADWMIOX-UHFFFAOYSA-N	-1	0	298.342	3.044	20	30		CGEDRM
O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc([O-])c(F)c1	ZINC000899353313	620649699	/nfs/dbraw/zinc/64/96/99/620649699.db2.gz	NIBCKPHGGMMUQB-GQCTYLIASA-N	-1	0	286.306	3.349	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cccc(Cl)c2)c[nH]1	ZINC000833093500	601791449	/nfs/dbraw/zinc/79/14/49/601791449.db2.gz	YTYGXGKUALYGFF-SNAWJCMRSA-N	-1	0	275.691	3.262	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2nc3ccccc3s2)c[nH]1	ZINC000833297727	601792478	/nfs/dbraw/zinc/79/24/78/601792478.db2.gz	JAUPSIDPRQXREX-AATRIKPKSA-N	-1	0	298.323	3.219	20	30		CGEDRM
N#Cc1cc(CSc2ncccc2C(=O)[O-])ccc1F	ZINC000236459325	602288113	/nfs/dbraw/zinc/28/81/13/602288113.db2.gz	GLCHOBKVTLLMPT-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1	ZINC000823497020	603847983	/nfs/dbraw/zinc/84/79/83/603847983.db2.gz	UVIQOEYOABMJJK-UHFFFAOYSA-N	-1	0	278.308	3.080	20	30		CGEDRM
CCc1onc(C)c1/C=C/C(=O)c1ccc(OC)cc1[O-]	ZINC000899362335	620668709	/nfs/dbraw/zinc/66/87/09/620668709.db2.gz	QKAJSPBSXBJFFF-BQYQJAHWSA-N	-1	0	287.315	3.156	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(Nc2ncccc2C#N)cc1	ZINC000825453425	604202482	/nfs/dbraw/zinc/20/24/82/604202482.db2.gz	JKCQEXQEHJIULJ-JTQLQIEISA-N	-1	0	282.303	3.025	20	30		CGEDRM
C=CCCCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825671573	604375918	/nfs/dbraw/zinc/37/59/18/604375918.db2.gz	VCJBSNKUKPSBGD-OAHLLOKOSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCC(CC=C)C(=O)OC1CCC(CC(=O)[O-])CC1	ZINC000833370530	604494917	/nfs/dbraw/zinc/49/49/17/604494917.db2.gz	LIJNGPTZLOIFAY-UHFFFAOYSA-N	-1	0	280.364	3.332	20	30		CGEDRM
C[C@@H](c1ccccc1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833550064	604602367	/nfs/dbraw/zinc/60/23/67/604602367.db2.gz	UTTYSIWZUJEFFY-ZDUSSCGKSA-N	-1	0	294.354	3.449	20	30		CGEDRM
Cc1cc(C)nc(N=NC(C)[C@H](C)CCCCC(=O)[O-])n1	ZINC000814681730	604631957	/nfs/dbraw/zinc/63/19/57/604631957.db2.gz	ZVLOMRHMMQDNJE-SNVBAGLBSA-N	-1	0	292.383	3.162	20	30		CGEDRM
CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])cc1	ZINC000825809263	604632893	/nfs/dbraw/zinc/63/28/93/604632893.db2.gz	QEILANLATSRKLW-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1	ZINC000763368378	604666190	/nfs/dbraw/zinc/66/61/90/604666190.db2.gz	MMJMANGOMBLJAP-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
CC(C)(C#N)CCN1CCCc2c(C(=O)[O-])cccc21	ZINC000087592662	605189021	/nfs/dbraw/zinc/18/90/21/605189021.db2.gz	PNNXDLFZSOYTOU-UHFFFAOYSA-N	-1	0	272.348	3.077	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000236452542	605214410	/nfs/dbraw/zinc/21/44/10/605214410.db2.gz	LNYOBTLVDUVRRH-UHFFFAOYSA-N	-1	0	279.723	3.170	20	30		CGEDRM
CC(C)(CCC#N)CNc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000823886663	605248845	/nfs/dbraw/zinc/24/88/45/605248845.db2.gz	VWAAIONNRPQTQN-UHFFFAOYSA-N	-1	0	287.363	3.469	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCCO1	ZINC000833386654	605329810	/nfs/dbraw/zinc/32/98/10/605329810.db2.gz	PEHLBSKLACWBIE-LBPRGKRZSA-N	-1	0	282.727	3.005	20	30		CGEDRM
C[C@@H](C#N)Oc1ccccc1NCc1cccc(C(=O)[O-])c1	ZINC000819875163	605577307	/nfs/dbraw/zinc/57/73/07/605577307.db2.gz	UXZKUVHYTWFLPX-LBPRGKRZSA-N	-1	0	296.326	3.288	20	30		CGEDRM
CC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1ccccc1N(C)C	ZINC000769568277	605593720	/nfs/dbraw/zinc/59/37/20/605593720.db2.gz	XWPCAXMNSIVOBM-UHFFFAOYSA-N	-1	0	297.358	3.287	20	30		CGEDRM
C#CCCCCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000833361951	605627843	/nfs/dbraw/zinc/62/78/43/605627843.db2.gz	SYYWJRYPEZSIRS-HNNXBMFYSA-N	-1	0	299.370	3.175	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cn2)CCC[C@@H]1C	ZINC000781128348	605783601	/nfs/dbraw/zinc/78/36/01/605783601.db2.gz	QOKUOIVTEOPTJO-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C#CCCCCCC(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC000833361580	605819141	/nfs/dbraw/zinc/81/91/41/605819141.db2.gz	BMWSJDATEPNZLL-UHFFFAOYSA-N	-1	0	292.306	3.151	20	30		CGEDRM
C#CCN(CC)C(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000833787402	605958417	/nfs/dbraw/zinc/95/84/17/605958417.db2.gz	NNQIRTKOAFTKAV-UHFFFAOYSA-N	-1	0	296.326	3.025	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1	ZINC000899854747	620731878	/nfs/dbraw/zinc/73/18/78/620731878.db2.gz	OAYVIPSFWLNESQ-MNOVXSKESA-N	-1	0	293.388	3.253	20	30		CGEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)c1cccc(F)c1	ZINC000049514158	617613566	/nfs/dbraw/zinc/61/35/66/617613566.db2.gz	AFAQLYZWKIXVDN-UHFFFAOYSA-N	-1	0	299.367	3.040	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000890812897	617870112	/nfs/dbraw/zinc/87/01/12/617870112.db2.gz	RBADFVWHLWXSPL-UHFFFAOYSA-N	-1	0	299.374	3.006	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC(C)C	ZINC000121050276	617941878	/nfs/dbraw/zinc/94/18/78/617941878.db2.gz	UZYTUUMSHWRGCC-ZDUSSCGKSA-N	-1	0	282.343	3.414	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2ccc(F)cc2[O-])c1	ZINC000255163288	618008414	/nfs/dbraw/zinc/00/84/14/618008414.db2.gz	LATCPBLWGFAKPI-DAXSKMNVSA-N	-1	0	267.259	3.299	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CSCc1cccc(Cl)c1	ZINC000846541639	618090209	/nfs/dbraw/zinc/09/02/09/618090209.db2.gz	JTKWPAOIKIBCPR-JTQLQIEISA-N	-1	0	285.796	3.196	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(C(=C)C)c1)C(=O)[O-]	ZINC000900355329	620781589	/nfs/dbraw/zinc/78/15/89/620781589.db2.gz	LGZKUBPNXZAGOP-CQSZACIVSA-N	-1	0	288.347	3.261	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)o1	ZINC000255370987	618242038	/nfs/dbraw/zinc/24/20/38/618242038.db2.gz	HNVFWSPBBFFHSX-ARJAWSKDSA-N	-1	0	264.227	3.468	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CCC2CCCC2)c1	ZINC000176832706	618743969	/nfs/dbraw/zinc/74/39/69/618743969.db2.gz	SMABQJQIOUIWMG-UHFFFAOYSA-N	-1	0	258.321	3.173	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ncsc2C2CC2)n1	ZINC000892416989	618766605	/nfs/dbraw/zinc/76/66/05/618766605.db2.gz	DBIATFFBYLDZCA-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1[N+](=O)[O-]	ZINC000255633250	618769404	/nfs/dbraw/zinc/76/94/04/618769404.db2.gz	MYZXGWMCJZGBFQ-DAXSKMNVSA-N	-1	0	299.282	3.211	20	30		CGEDRM
O=C([O-])COc1ccc(/C=C/C(=O)c2cccs2)cc1	ZINC000007740153	619241382	/nfs/dbraw/zinc/24/13/82/619241382.db2.gz	JEGVHGHZUGOYEX-VMPITWQZSA-N	-1	0	288.324	3.108	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@H]1CCC(C)C)C(=O)[O-]	ZINC000793055742	619676737	/nfs/dbraw/zinc/67/67/37/619676737.db2.gz	BWYOCBSPOIUILY-RYUDHWBXSA-N	-1	0	254.374	3.032	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000909627183	620214178	/nfs/dbraw/zinc/21/41/78/620214178.db2.gz	PSCIRZIVBVEIBL-UHFFFAOYSA-N	-1	0	291.347	3.072	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1cc2cccc(CC)c2o1	ZINC000901586213	620936174	/nfs/dbraw/zinc/93/61/74/620936174.db2.gz	LJKYXTTYPNTRSF-UHFFFAOYSA-N	-1	0	273.332	3.068	20	30		CGEDRM
C=C(C)C[C@H](N[C@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901682429	620984636	/nfs/dbraw/zinc/98/46/36/620984636.db2.gz	UNLZZZLVYUIWRO-KGLIPLIRSA-N	-1	0	297.345	3.262	20	30		CGEDRM
C[C@@H]1COC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000905003253	622027634	/nfs/dbraw/zinc/02/76/34/622027634.db2.gz	PWTWPIJDENWFFL-XNJVNDLISA-N	-1	0	274.147	3.153	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000905044635	622030143	/nfs/dbraw/zinc/03/01/43/622030143.db2.gz	VRRXDZIKENPWOZ-UHFFFAOYSA-N	-1	0	259.305	3.070	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1cc(C)ccc1C)C(=O)[O-]	ZINC000905052569	622030747	/nfs/dbraw/zinc/03/07/47/622030747.db2.gz	KAWILWWXUDLSIG-CYBMUJFWSA-N	-1	0	290.363	3.234	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000907750748	622310171	/nfs/dbraw/zinc/31/01/71/622310171.db2.gz	UEAMTTYYFDYWSK-OLZOCXBDSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000910515146	622490040	/nfs/dbraw/zinc/49/00/40/622490040.db2.gz	CFPOQHBGEOKRJT-HIFRSBDPSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CCCCCCCC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910641407	622497407	/nfs/dbraw/zinc/49/74/07/622497407.db2.gz	NRBJAKUYLGLSBE-UHFFFAOYSA-N	-1	0	298.408	3.459	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000911388420	622531967	/nfs/dbraw/zinc/53/19/67/622531967.db2.gz	YHADTEBPJKRZIE-UHFFFAOYSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)CCCCC(=O)[O-]	ZINC000911401622	622532421	/nfs/dbraw/zinc/53/24/21/622532421.db2.gz	LUKYKJAULKUVCE-UHFFFAOYSA-N	-1	0	275.348	3.389	20	30		CGEDRM
O=C(/C=C/c1ccc(O)cc1)c1cc(F)ccc1[O-]	ZINC000156669528	622832409	/nfs/dbraw/zinc/83/24/09/622832409.db2.gz	RBSOUVSGIQNYRR-XVNBXDOJSA-N	-1	0	258.248	3.133	20	30		CGEDRM
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cc(F)ccc1[O-]	ZINC000156666721	622832801	/nfs/dbraw/zinc/83/28/01/622832801.db2.gz	HAHLTMGMUZNMIB-FNORWQNLSA-N	-1	0	287.246	3.336	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000156706734	622835916	/nfs/dbraw/zinc/83/59/16/622835916.db2.gz	YZMYABXGJHDIDV-AATRIKPKSA-N	-1	0	259.330	3.362	20	30		CGEDRM
CCc1ccccc1NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000915051835	623890793	/nfs/dbraw/zinc/89/07/93/623890793.db2.gz	UQPBYZQBKOZDRZ-UHFFFAOYSA-N	-1	0	298.342	3.158	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F	ZINC000916240749	624125663	/nfs/dbraw/zinc/12/56/63/624125663.db2.gz	OBVJLIUEGPRCKO-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@@H](C)CC(C)(C)C2)n1	ZINC000916241531	624128250	/nfs/dbraw/zinc/12/82/50/624128250.db2.gz	INBSRIZJOAQKBU-SECBINFHSA-N	-1	0	262.357	3.105	20	30		CGEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccsc1	ZINC000916876849	624221076	/nfs/dbraw/zinc/22/10/76/624221076.db2.gz	AMKZZHCYTLJXKZ-CQSZACIVSA-N	-1	0	295.363	3.371	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@@H]2CCOC2)n1	ZINC000835200830	634393399	/nfs/dbraw/zinc/39/33/99/634393399.db2.gz	PTFAYRWBTNVQLJ-BLDJZWNYSA-N	-1	0	290.388	3.035	20	30		CGEDRM
Cc1ccc2c(c1)CCC2=NNc1ccc(C(=O)[O-])cc1	ZINC000921254781	624575470	/nfs/dbraw/zinc/57/54/70/624575470.db2.gz	RVEYTXZCOHVRPY-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
O=C(/C=C\c1cccc(F)c1)c1ccc(O)cc1[O-]	ZINC000200520652	625843877	/nfs/dbraw/zinc/84/38/77/625843877.db2.gz	JNZWGNVXSQZHBQ-DAXSKMNVSA-N	-1	0	258.248	3.133	20	30		CGEDRM
CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000073838377	626070586	/nfs/dbraw/zinc/07/05/86/626070586.db2.gz	LBWACDBERUCHDK-JTQLQIEISA-N	-1	0	295.470	3.383	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCO2	ZINC000839381385	626342707	/nfs/dbraw/zinc/34/27/07/626342707.db2.gz	IZICRHMYNQJVTC-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
C[C@H]1CCC(=NNc2[n-]cnc3ncnc2-3)c2ccccc21	ZINC000752726188	626435988	/nfs/dbraw/zinc/43/59/88/626435988.db2.gz	FEJXDOSMMNXINB-JTQLQIEISA-N	-1	0	292.346	3.066	20	30		CGEDRM
O=C([O-])c1ccc(C=NOc2ccccc2C(F)(F)F)[nH]1	ZINC000754710099	626583337	/nfs/dbraw/zinc/58/33/37/626583337.db2.gz	QNZYFJCDSYUPEU-UHFFFAOYSA-N	-1	0	298.220	3.145	20	30		CGEDRM
Cc1cccc(C)c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000755455445	626624195	/nfs/dbraw/zinc/62/41/95/626624195.db2.gz	NMOQPOGMHZIINX-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
Cc1cccnc1NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000790186002	626681184	/nfs/dbraw/zinc/68/11/84/626681184.db2.gz	MFEIYPGZVBDEMS-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
Cc1cc(F)ccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000757471625	626781670	/nfs/dbraw/zinc/78/16/70/626781670.db2.gz	HQIMKKJGWAQQQU-CLTKARDFSA-N	-1	0	272.275	3.441	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cc1C#N	ZINC000757476323	626782215	/nfs/dbraw/zinc/78/22/15/626782215.db2.gz	PUAISMVWOIFNSL-DAXSKMNVSA-N	-1	0	293.322	3.477	20	30		CGEDRM
C[C@@H]1C[C@@H]1CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000758360021	626837930	/nfs/dbraw/zinc/83/79/30/626837930.db2.gz	TZJYAOBOHYIWKS-HTQZYQBOSA-N	-1	0	252.701	3.092	20	30		CGEDRM
COc1cc2c(cc1/C=C\C(=O)c1ccccc1[O-])OCO2	ZINC000758929163	626866964	/nfs/dbraw/zinc/86/69/64/626866964.db2.gz	BKTQUHYWMOUEQH-SREVYHEPSA-N	-1	0	298.294	3.026	20	30		CGEDRM
O=C(/C=C/c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759090145	626873474	/nfs/dbraw/zinc/87/34/74/626873474.db2.gz	JLMQUFZUTSJSNE-GQCTYLIASA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C(/C=C\c1nc(Cl)cs1)c1ccccc1[O-]	ZINC000759085645	626873544	/nfs/dbraw/zinc/87/35/44/626873544.db2.gz	WHHMWAUCOSHFPA-WAYWQWQTSA-N	-1	0	265.721	3.398	20	30		CGEDRM
N#Cc1cnc(NC(=O)c2cc3ccccc3cc2[O-])s1	ZINC000759634239	626910715	/nfs/dbraw/zinc/91/07/15/626910715.db2.gz	OGMHGBCFXNVLMZ-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2sccc2C2CC2)c1	ZINC000759716660	626917576	/nfs/dbraw/zinc/91/75/76/626917576.db2.gz	BEGODYHXTMFGTF-UHFFFAOYSA-N	-1	0	284.340	3.455	20	30		CGEDRM
C=CCCCCCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000805218581	627010299	/nfs/dbraw/zinc/01/02/99/627010299.db2.gz	FLAJKVLYUBVCAB-UHFFFAOYSA-N	-1	0	299.374	3.202	20	30		CGEDRM
Cn1cnc2cc(/C=C/C(=O)c3ccc([O-])c(F)c3)ccc21	ZINC000761200244	627024478	/nfs/dbraw/zinc/02/44/78/627024478.db2.gz	OCIDQEWTKVISJR-ZZXKWVIFSA-N	-1	0	296.301	3.314	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC(c3ccccc3F)C2)nc1	ZINC000763367617	627153748	/nfs/dbraw/zinc/15/37/48/627153748.db2.gz	DELHCBIQVPGYIH-UHFFFAOYSA-N	-1	0	299.305	3.264	20	30		CGEDRM
CCC1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763377795	627154825	/nfs/dbraw/zinc/15/48/25/627154825.db2.gz	ZIDFUVWFMULOLF-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1C#N	ZINC000766431395	627330734	/nfs/dbraw/zinc/33/07/34/627330734.db2.gz	QZGVWJHYEYZARL-UHFFFAOYSA-N	-1	0	279.299	3.011	20	30		CGEDRM
CC(C)N(CCC#N)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000768762602	627497172	/nfs/dbraw/zinc/49/71/72/627497172.db2.gz	DDNPORVGHUMMIR-UHFFFAOYSA-N	-1	0	297.742	3.078	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cncc3ccccc23)c1	ZINC000772831667	627827098	/nfs/dbraw/zinc/82/70/98/627827098.db2.gz	XUGWWJYVKGVSQX-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CC1(C)CCCC[C@H]1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000773126086	627859689	/nfs/dbraw/zinc/85/96/89/627859689.db2.gz	RNSGEGGHKKJZTO-CQSZACIVSA-N	-1	0	291.351	3.193	20	30		CGEDRM
O=C(C=Cc1nc(Cl)cs1)c1sccc1[O-]	ZINC000773143325	627861641	/nfs/dbraw/zinc/86/16/41/627861641.db2.gz	QRRYBJKZLUNZNP-OWOJBTEDSA-N	-1	0	271.750	3.460	20	30		CGEDRM
[O-]c1c(Br)cccc1C=NOC1CCCC1	ZINC000774597092	628007752	/nfs/dbraw/zinc/00/77/52/628007752.db2.gz	PCMSCHDNXIMDMX-UHFFFAOYSA-N	-1	0	284.153	3.448	20	30		CGEDRM
C=CC1CCN(C(=O)c2cccc(Cl)c2[O-])CC1	ZINC000775732456	628130709	/nfs/dbraw/zinc/13/07/09/628130709.db2.gz	NYYKZERGLQFZRT-UHFFFAOYSA-N	-1	0	265.740	3.084	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cscn1	ZINC000776193453	628179355	/nfs/dbraw/zinc/17/93/55/628179355.db2.gz	ZDLMXHMRCSGSHI-OWOJBTEDSA-N	-1	0	267.256	3.023	20	30		CGEDRM
COC[C@H](C)C(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000777879709	628306973	/nfs/dbraw/zinc/30/69/73/628306973.db2.gz	VJRFUBNBHDIBPZ-QMMMGPOBSA-N	-1	0	284.743	3.109	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/Cc3cc(F)ccc3C2=O)c1	ZINC000782201221	628624210	/nfs/dbraw/zinc/62/42/10/628624210.db2.gz	RASZIPRNAGVZCJ-UITAMQMPSA-N	-1	0	288.299	3.408	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cccc(O)c2)c1	ZINC000782199595	628624321	/nfs/dbraw/zinc/62/43/21/628624321.db2.gz	HWUGEOSBFRSZHQ-PLNGDYQASA-N	-1	0	274.297	3.048	20	30		CGEDRM
O=C([O-])c1csc(C=CC(=O)c2c[nH]c3ncccc23)c1	ZINC000782207801	628624688	/nfs/dbraw/zinc/62/46/88/628624688.db2.gz	RMTJXXDLIZKRPU-ARJAWSKDSA-N	-1	0	298.323	3.219	20	30		CGEDRM
CC(=NNc1ccnc(F)c1)c1cc(C(=O)[O-])ccc1C	ZINC000788439701	629052282	/nfs/dbraw/zinc/05/22/82/629052282.db2.gz	VJYLYFZIGPNWSO-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
CCCCCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000862357178	629349248	/nfs/dbraw/zinc/34/92/48/629349248.db2.gz	PDYMNWKQWBYPNE-UHFFFAOYSA-N	-1	0	280.324	3.001	20	30		CGEDRM
CCC(=NNCc1ccc(C2CCCC2)cc1)C(=O)[O-]	ZINC000793077752	629408044	/nfs/dbraw/zinc/40/80/44/629408044.db2.gz	HTRNHQLZFYLRHH-HNNXBMFYSA-N	-1	0	274.364	3.131	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000793078767	629408207	/nfs/dbraw/zinc/40/82/07/629408207.db2.gz	OLNRCAKRPOEITH-AWEZNQCLSA-N	-1	0	276.380	3.161	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000793164514	629420494	/nfs/dbraw/zinc/42/04/94/629420494.db2.gz	VWCGIKPQLLDYBB-SECBINFHSA-N	-1	0	296.323	3.096	20	30		CGEDRM
CCC[C@@H](C)CCCC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC000863067727	629466293	/nfs/dbraw/zinc/46/62/93/629466293.db2.gz	JAWCTGJBOCTGGI-SNVBAGLBSA-N	-1	0	279.388	3.280	20	30		CGEDRM
C[C@@H](Oc1ccc(C=NOC2CCCCC2)cc1)C(=O)[O-]	ZINC000794931437	629601662	/nfs/dbraw/zinc/60/16/62/629601662.db2.gz	VWAQPGLJMQGQME-GFCCVEGCSA-N	-1	0	291.347	3.222	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000794936454	629602413	/nfs/dbraw/zinc/60/24/13/629602413.db2.gz	AITJMCAXLUNZOF-ONEGZZNKSA-N	-1	0	290.344	3.120	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccco1	ZINC000794940556	629603313	/nfs/dbraw/zinc/60/33/13/629603313.db2.gz	ADXWFUZSNQAEMI-AATRIKPKSA-N	-1	0	270.284	3.491	20	30		CGEDRM
CC[C@@H]1CC[C@H](C)CC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000797398356	629941182	/nfs/dbraw/zinc/94/11/82/629941182.db2.gz	RTTLXRRCYMAVFY-GXSJLCMTSA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC[C@H]1CC[C@@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000797402245	629942492	/nfs/dbraw/zinc/94/24/92/629942492.db2.gz	XPLPMBHNFYCXRH-MNOVXSKESA-N	-1	0	275.352	3.394	20	30		CGEDRM
O=C(C=Cc1ccnn1CC1CCC1)c1sccc1[O-]	ZINC000865223269	630029195	/nfs/dbraw/zinc/02/91/95/630029195.db2.gz	GTLWKGBYBMPAQF-PLNGDYQASA-N	-1	0	288.372	3.346	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC[C@H](C)C1	ZINC000800815269	630301898	/nfs/dbraw/zinc/30/18/98/630301898.db2.gz	ROISRNKZBQQHCA-WDEREUQCSA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccccc2F)c1	ZINC000806558896	630566914	/nfs/dbraw/zinc/56/69/14/630566914.db2.gz	OSVCHQOTVKEPBF-HJWRWDBZSA-N	-1	0	270.259	3.420	20	30		CGEDRM
C#CCCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839196	630600186	/nfs/dbraw/zinc/60/01/86/630600186.db2.gz	YUCFKTAUGHQZDK-UHFFFAOYSA-N	-1	0	286.158	3.119	20	30		CGEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(O)cc1	ZINC000812442379	631261088	/nfs/dbraw/zinc/26/10/88/631261088.db2.gz	ZYZPCIOWJFFCHB-UHFFFAOYSA-N	-1	0	284.315	3.317	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000837044801	634846672	/nfs/dbraw/zinc/84/66/72/634846672.db2.gz	SQPUPYHMKSQVRP-VIFPVBQESA-N	-1	0	271.769	3.054	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccoc2C(F)(F)F)c1	ZINC000813500891	631430262	/nfs/dbraw/zinc/43/02/62/631430262.db2.gz	MDBXRMJOWPSGTG-UHFFFAOYSA-N	-1	0	296.204	3.128	20	30		CGEDRM
C[C@@H]1SCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814688894	631624473	/nfs/dbraw/zinc/62/44/73/631624473.db2.gz	OWRXDKJUYZWISV-ZETCQYMHSA-N	-1	0	284.768	3.332	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2ccc(Cl)cc2Cl)C1	ZINC000814751610	631633031	/nfs/dbraw/zinc/63/30/31/631633031.db2.gz	PPCDQLYSQTWRRI-UHFFFAOYSA-N	-1	0	273.119	3.256	20	30		CGEDRM
Cc1ccc2c(C)cc(N=NC3CC(C(=O)[O-])C3)nc2c1C	ZINC000814768769	631635882	/nfs/dbraw/zinc/63/58/82/631635882.db2.gz	AGBCBNBUYJPZSS-UHFFFAOYSA-N	-1	0	297.358	3.423	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(Cl)cc1	ZINC000814875585	631662159	/nfs/dbraw/zinc/66/21/59/631662159.db2.gz	NMHKCCXGAARFPW-ZYHUDNBSSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@@H]1C(=NOCc2ccc(F)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814903486	631673083	/nfs/dbraw/zinc/67/30/83/631673083.db2.gz	LSYCNDGUGDAYAQ-JQWIXIFHSA-N	-1	0	279.311	3.219	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@H](C(=O)[O-])C[C@H]1C	ZINC000814923566	631683662	/nfs/dbraw/zinc/68/36/62/631683662.db2.gz	KEEFHKAKLJZTLV-NEPJUHHUSA-N	-1	0	291.347	3.089	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncccc1F	ZINC000814927492	631685230	/nfs/dbraw/zinc/68/52/30/631685230.db2.gz	QIEQDZWXXVNBTQ-UHFFFAOYSA-N	-1	0	281.331	3.434	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCC1	ZINC000828105816	633561129	/nfs/dbraw/zinc/56/11/29/633561129.db2.gz	ITRQKMNVIAGFDW-UHFFFAOYSA-N	-1	0	277.295	3.209	20	30		CGEDRM
CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)C1CCCC1	ZINC000870692163	633627463	/nfs/dbraw/zinc/62/74/63/633627463.db2.gz	XREIMULHBUTIMF-UHFFFAOYSA-N	-1	0	272.348	3.185	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]C(C)(C)C(F)(F)F	ZINC000829916205	633809255	/nfs/dbraw/zinc/80/92/55/633809255.db2.gz	WLNLXUDBLYOQMY-UHFFFAOYSA-N	-1	0	289.363	3.217	20	30		CGEDRM
CC1(C)CCc2c([n-]n(-c3cccc(C#N)c3)c2=O)C1	ZINC000871941797	633921855	/nfs/dbraw/zinc/92/18/55/633921855.db2.gz	IIDFAQBTNOYJEI-ZDUSSCGKSA-N	-1	0	267.332	3.087	20	30		CGEDRM
CCCCCC[C@@H](C)n1[n-]c(C)c(CCC#N)c1=O	ZINC000871959698	633927719	/nfs/dbraw/zinc/92/77/19/633927719.db2.gz	OVWLLPRJLAZPNW-OCCSQVGLSA-N	-1	0	263.385	3.483	20	30		CGEDRM
C=C[C@@H](C)ON=Cc1csc(=NC(=O)OC(C)(C)C)[nH]1	ZINC000872387107	634128218	/nfs/dbraw/zinc/12/82/18/634128218.db2.gz	LXRHWPYHDSWSGL-SECBINFHSA-N	-1	0	297.380	3.415	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000872751625	634202031	/nfs/dbraw/zinc/20/20/31/634202031.db2.gz	FSXJJAGSGMNLBW-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
CC(CC(C)(C)C)=NNc1cnnc([O-])c1Cl	ZINC000834936879	634290054	/nfs/dbraw/zinc/29/00/54/634290054.db2.gz	FVIOKVYZBSUOPF-UHFFFAOYSA-N	-1	0	256.737	3.060	20	30		CGEDRM
O=c1[n-]c(N=NC2CCCC23CCC3)nc2ccccc21	ZINC000834962692	634295173	/nfs/dbraw/zinc/29/51/73/634295173.db2.gz	YLHCEBRPGCVLIR-UHFFFAOYSA-N	-1	0	282.347	3.458	20	30		CGEDRM
CC[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835006713	634311582	/nfs/dbraw/zinc/31/15/82/634311582.db2.gz	IBKXCRJTIONLGB-JTQLQIEISA-N	-1	0	261.325	3.148	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H](C3CC3)C2)cn1	ZINC000835006823	634311700	/nfs/dbraw/zinc/31/17/00/634311700.db2.gz	KEYYANPVBHHDNL-LLVKDONJSA-N	-1	0	273.336	3.148	20	30		CGEDRM
CC1(C)CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008129	634312472	/nfs/dbraw/zinc/31/24/72/634312472.db2.gz	BTOWEDVBYJBZAC-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]3C[C@H]32)c(F)c1	ZINC000835009548	634314613	/nfs/dbraw/zinc/31/46/13/634314613.db2.gz	YVPYKUKHKKNBLM-WCBMZHEXSA-N	-1	0	262.284	3.112	20	30		CGEDRM
CC[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000835039615	634329524	/nfs/dbraw/zinc/32/95/24/634329524.db2.gz	HUPZPMGMQFRESN-MRVWCRGKSA-N	-1	0	294.354	3.414	20	30		CGEDRM
CCO[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840710849	635039900	/nfs/dbraw/zinc/03/99/00/635039900.db2.gz	SOHREDCAVYOTBX-VFBOHGMLSA-N	-1	0	292.335	3.067	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc(C2CC2)cs1	ZINC000842941876	635521860	/nfs/dbraw/zinc/52/18/60/635521860.db2.gz	UACSICGTZLUVBE-RJNRQISESA-N	-1	0	295.367	3.305	20	30		CGEDRM
CC[C@@]1(C)CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000844588436	635937322	/nfs/dbraw/zinc/93/73/22/635937322.db2.gz	VAFOHOVOSMRNEZ-AWEZNQCLSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C=C[C@@H](C)ON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000844620883	635944053	/nfs/dbraw/zinc/94/40/53/635944053.db2.gz	RFMMEAPWFHUZGN-INHVJJQHSA-N	-1	0	293.750	3.403	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2c(F)cccc2F)CCC1	ZINC000846534675	636194407	/nfs/dbraw/zinc/19/44/07/636194407.db2.gz	XINFTJZKOCJPTR-UHFFFAOYSA-N	-1	0	281.302	3.010	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2C)CCCC1	ZINC000846552648	636201284	/nfs/dbraw/zinc/20/12/84/636201284.db2.gz	MKYFLSHCBNSLJG-AWEZNQCLSA-N	-1	0	273.376	3.429	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1	ZINC000129506709	636288955	/nfs/dbraw/zinc/28/89/55/636288955.db2.gz	QXKMNAAWXOUFQQ-VQHVLOKHSA-N	-1	0	269.256	3.197	20	30		CGEDRM
CCCCCCCC(=O)NC(CC)(CC)C(=O)[O-]	ZINC000129512984	636289794	/nfs/dbraw/zinc/28/97/94/636289794.db2.gz	UIUIOESXYHMCCH-UHFFFAOYSA-N	-1	0	257.374	3.107	20	30		CGEDRM
C=CC[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848413484	636570640	/nfs/dbraw/zinc/57/06/40/636570640.db2.gz	GNFDZBBLSLCHGV-LBPRGKRZSA-N	-1	0	272.348	3.458	20	30		CGEDRM
O=C(/C=C/c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136514626	637389526	/nfs/dbraw/zinc/38/95/26/637389526.db2.gz	YRXRVHPGILLNJF-SOFGYWHQSA-N	-1	0	269.256	3.197	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1	ZINC000853354708	637823529	/nfs/dbraw/zinc/82/35/29/637823529.db2.gz	TZHDBVOILZHQQS-JFGNBEQYSA-N	-1	0	276.311	3.358	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCSCC2)c(F)c1	ZINC000853355070	637823608	/nfs/dbraw/zinc/82/36/08/637823608.db2.gz	FXSVYTLBOAQOHE-UHFFFAOYSA-N	-1	0	282.340	3.209	20	30		CGEDRM
CCOC1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000853370398	637826593	/nfs/dbraw/zinc/82/65/93/637826593.db2.gz	MEVZMPXYNFQPPO-UHFFFAOYSA-N	-1	0	290.363	3.061	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc(Cl)cn1	ZINC000853435901	637841272	/nfs/dbraw/zinc/84/12/72/637841272.db2.gz	UQBPIYLMJZRSHH-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2cccc(C)c2)CCC1	ZINC000856029934	638286937	/nfs/dbraw/zinc/28/69/37/638286937.db2.gz	JBAFQZRIMSFZNY-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OCC1CCC1)c1ccccc1	ZINC000856350684	638350966	/nfs/dbraw/zinc/35/09/66/638350966.db2.gz	MVELWSZSSSROOW-HNNXBMFYSA-N	-1	0	259.349	3.194	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C12CC(C1)C2	ZINC000860451624	639348663	/nfs/dbraw/zinc/34/86/63/639348663.db2.gz	HVMNWSCTAZBPKF-NOBQPIJMSA-N	-1	0	292.338	3.168	20	30		CGEDRM
CCCCCCCNC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000861460320	639585959	/nfs/dbraw/zinc/58/59/59/639585959.db2.gz	RXAWHCNXCVXSAN-UHFFFAOYSA-N	-1	0	298.427	3.243	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cc(F)cc(F)c2)CCCC1	ZINC000862132723	639649763	/nfs/dbraw/zinc/64/97/63/639649763.db2.gz	LCFYDCFDYRLLOK-LLVKDONJSA-N	-1	0	295.329	3.399	20	30		CGEDRM
COc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000158289229	640000119	/nfs/dbraw/zinc/00/01/19/640000119.db2.gz	BXIZPRJQXHYMSW-CMDGGOBGSA-N	-1	0	282.295	3.290	20	30		CGEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048505685	640056606	/nfs/dbraw/zinc/05/66/06/640056606.db2.gz	XEEJRTZWSFMSAN-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
COc1cccc(OC)c1C=CC(=O)c1sccc1[O-]	ZINC000188000055	640112405	/nfs/dbraw/zinc/11/24/05/640112405.db2.gz	DBHCDQMIURGBHJ-VOTSOKGWSA-N	-1	0	290.340	3.367	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1	ZINC000091135500	640704744	/nfs/dbraw/zinc/70/47/44/640704744.db2.gz	JSGNSRFIKRSYIS-UHFFFAOYSA-N	-1	0	299.392	3.165	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(C#N)cc1	ZINC001250586621	805710299	/nfs/dbraw/zinc/71/02/99/805710299.db2.gz	IZRBNQOQQJBDDR-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc(Nc2c(C)ccnc2C#N)ccc1C(=O)[O-]	ZINC001211654999	814926385	/nfs/dbraw/zinc/92/63/85/814926385.db2.gz	JHRQRWAEJIVFCL-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)nc2C)ccc1C(=O)[O-]	ZINC001211652914	814926629	/nfs/dbraw/zinc/92/66/29/814926629.db2.gz	RXWFZRKRGLKXTH-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1[O-]	ZINC001252259413	806034175	/nfs/dbraw/zinc/03/41/75/806034175.db2.gz	BEWNZPITRLCZBB-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
CCCCCCCCCc1cn(C2(C(=O)[O-])CC2)nn1	ZINC001254095823	806342370	/nfs/dbraw/zinc/34/23/70/806342370.db2.gz	ZCTISJYYBJEPRO-UHFFFAOYSA-N	-1	0	279.384	3.145	20	30		CGEDRM
COc1c(F)cc(Nc2scc([O-])c2C#N)cc1F	ZINC001211676727	814930520	/nfs/dbraw/zinc/93/05/20/814930520.db2.gz	KBOQXYKCANQQJR-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
CCOc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1C	ZINC000176406838	799096794	/nfs/dbraw/zinc/09/67/94/799096794.db2.gz	IZVOPGIDMKZWBX-UHFFFAOYSA-N	-1	0	296.326	3.223	20	30		CGEDRM
O=C(C=Cc1ccc(O)c(F)c1)c1sccc1[O-]	ZINC000588599202	799719867	/nfs/dbraw/zinc/71/98/67/799719867.db2.gz	SCKNFAJHEFZDKD-RQOWECAXSA-N	-1	0	264.277	3.195	20	30		CGEDRM
N#Cc1cccc(NCc2ccc(F)c(F)c2[O-])c1	ZINC000703297045	799921773	/nfs/dbraw/zinc/92/17/73/799921773.db2.gz	YHRCQLWAXJCUGI-UHFFFAOYSA-N	-1	0	260.243	3.154	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccccc2[O-])ccc1F	ZINC001116377129	802338714	/nfs/dbraw/zinc/33/87/14/802338714.db2.gz	CZGMDBUEZJPOJQ-CLFYSBASSA-N	-1	0	272.275	3.436	20	30		CGEDRM
Cc1c(NN=Cc2cccn2C2CC2)cccc1C(=O)[O-]	ZINC001118228742	802540264	/nfs/dbraw/zinc/54/02/64/802540264.db2.gz	UOBXDCCDGWJFAY-UHFFFAOYSA-N	-1	0	283.331	3.276	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174806533	809166701	/nfs/dbraw/zinc/16/67/01/809166701.db2.gz	AUAFIWPNTYUWED-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1cc(C#N)cc(-c2ccc(Cl)c([O-])c2F)n1	ZINC001244631052	803474133	/nfs/dbraw/zinc/47/41/33/803474133.db2.gz	KLMOIJJVMPHIGX-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2ccc(CO)c(F)c2F)cc1F	ZINC001244722103	803513248	/nfs/dbraw/zinc/51/32/48/803513248.db2.gz	ULMXIIVZQWNRJP-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
Cc1cc(-c2cnc3c(C#N)c[nH]c3c2)cc(C)c1C(=O)[O-]	ZINC001244949059	803588160	/nfs/dbraw/zinc/58/81/60/803588160.db2.gz	QEQHDEDGTWKQGG-UHFFFAOYSA-N	-1	0	291.310	3.417	20	30		CGEDRM
N#Cc1ccnc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)n1	ZINC001244998543	803608294	/nfs/dbraw/zinc/60/82/94/803608294.db2.gz	GDNXOALEMDPOQB-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cccc(C(=O)[O-])c1C	ZINC001245301975	803696073	/nfs/dbraw/zinc/69/60/73/803696073.db2.gz	UOJKKFZQONQZEK-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
N#CCOc1ccccc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245318450	803699631	/nfs/dbraw/zinc/69/96/31/803699631.db2.gz	IROGGJBCQKCSIZ-UHFFFAOYSA-N	-1	0	285.274	3.022	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(C(=O)[O-])cc3Cl)ccc2[nH]1	ZINC001245371097	803717442	/nfs/dbraw/zinc/71/74/42/803717442.db2.gz	QTJCBOUNFUEIOE-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(O)c1	ZINC001137932854	803800356	/nfs/dbraw/zinc/80/03/56/803800356.db2.gz	MGULDNWZOGUOEP-UHFFFAOYSA-N	-1	0	296.326	3.345	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc([O-])c(F)c(F)c2F)n1	ZINC001245633397	803868108	/nfs/dbraw/zinc/86/81/08/803868108.db2.gz	AFYMKKFGATYISB-UHFFFAOYSA-N	-1	0	278.233	3.360	20	30		CGEDRM
Cc1cc(-c2cc(Cl)c([O-])cc2F)ncc1C#N	ZINC001245668183	803896793	/nfs/dbraw/zinc/89/67/93/803896793.db2.gz	PIYBPCFKHLWESL-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1ncc([N-]c2onc(C(C)(C)C)c2C#N)s1	ZINC001212128574	814980751	/nfs/dbraw/zinc/98/07/51/814980751.db2.gz	UZBNJPQSICJLPA-UHFFFAOYSA-N	-1	0	262.338	3.352	20	30		CGEDRM
N#CCCn1[n-]c(-c2ccccc2C(F)(F)F)cc1=O	ZINC001245912304	804040513	/nfs/dbraw/zinc/04/05/13/804040513.db2.gz	ISWGNIIDNCIJGT-UHFFFAOYSA-N	-1	0	281.237	3.188	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(CC2CCCC2)cc1=O	ZINC001245932096	804060646	/nfs/dbraw/zinc/06/06/46/804060646.db2.gz	OOAFVZASBFXRGO-UHFFFAOYSA-N	-1	0	267.332	3.182	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3cccc(F)c3)[n-]2)c1	ZINC001245936617	804067549	/nfs/dbraw/zinc/06/75/49/804067549.db2.gz	BVHXHHYUPZPFOV-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3ccc(Cl)nc3)cc2=O)cc1	ZINC001245947029	804082312	/nfs/dbraw/zinc/08/23/12/804082312.db2.gz	XBDCUMWPBUBMJA-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C	ZINC001140880097	804541025	/nfs/dbraw/zinc/54/10/25/804541025.db2.gz	XRAHXYGWCGDQBP-ZDUSSCGKSA-N	-1	0	277.364	3.120	20	30		CGEDRM
CCCCCCCCNC(=S)Nc1cc(=O)[nH]c(C)n1	ZINC001247141723	804668052	/nfs/dbraw/zinc/66/80/52/804668052.db2.gz	VXYAVSFSJPCIJA-UHFFFAOYSA-N	-1	0	296.440	3.138	20	30		CGEDRM
Cn1cc(Nc2cc(C#N)c(F)cc2[O-])c2ccncc21	ZINC001249698784	805217779	/nfs/dbraw/zinc/21/77/79/805217779.db2.gz	NXGHHEQNXXZGJC-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
Cc1cc(Cc2ccccc2C#N)cc(C)c1C(=O)[O-]	ZINC001250047408	805386755	/nfs/dbraw/zinc/38/67/55/805386755.db2.gz	KBFFAHSCHAAFDQ-UHFFFAOYSA-N	-1	0	265.312	3.464	20	30		CGEDRM
CC(C)(C)n1cc(Nc2scc([O-])c2C#N)cn1	ZINC001212568523	815072464	/nfs/dbraw/zinc/07/24/64/815072464.db2.gz	GYMZKSVSTUQIBW-UHFFFAOYSA-N	-1	0	262.338	3.020	20	30		CGEDRM
CSc1cnc(F)c(Nc2scc([O-])c2C#N)c1	ZINC001250138810	805440123	/nfs/dbraw/zinc/44/01/23/805440123.db2.gz	UFXXASKYWQRASN-UHFFFAOYSA-N	-1	0	281.337	3.325	20	30		CGEDRM
Cc1noc(Nc2c(F)ccc([O-])c2Cl)c1C#N	ZINC001250228243	805504638	/nfs/dbraw/zinc/50/46/38/805504638.db2.gz	SDTBVVVYKWPBJK-UHFFFAOYSA-N	-1	0	267.647	3.096	20	30		CGEDRM
COc1ccc(F)c([N-]c2oncc2C#N)c1Cl	ZINC001250306122	805557119	/nfs/dbraw/zinc/55/71/19/805557119.db2.gz	XXMNYNFKPXWMFZ-UHFFFAOYSA-N	-1	0	267.647	3.091	20	30		CGEDRM
COc1cc(F)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174130526	808881599	/nfs/dbraw/zinc/88/15/99/808881599.db2.gz	XGLZEFKAIIJLQR-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
COc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001174496702	809043045	/nfs/dbraw/zinc/04/30/45/809043045.db2.gz	QDBIOIWIXFVHSN-VMPITWQZSA-N	-1	0	294.310	3.408	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496240	809043649	/nfs/dbraw/zinc/04/36/49/809043649.db2.gz	HQARMPIGCJZVNC-SOFGYWHQSA-N	-1	0	294.310	3.408	20	30		CGEDRM
COc1c(F)ccc(F)c1Nc1scc([O-])c1C#N	ZINC001174661304	809122282	/nfs/dbraw/zinc/12/22/82/809122282.db2.gz	IMCQFUGSEIGSOL-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)c(F)c1	ZINC001174677527	809127368	/nfs/dbraw/zinc/12/73/68/809127368.db2.gz	MDBSWKKXETVXAQ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2ccc(F)c(C#N)c2)ccc1C(=O)[O-]	ZINC001174685013	809130157	/nfs/dbraw/zinc/13/01/57/809130157.db2.gz	LODIZJYJIDJEFW-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CC(C)Oc1ccc(Nc2scc([O-])c2C#N)cn1	ZINC001174759782	809156190	/nfs/dbraw/zinc/15/61/90/809156190.db2.gz	PKQUUMBZXWHNJK-UHFFFAOYSA-N	-1	0	275.333	3.251	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174808095	809168175	/nfs/dbraw/zinc/16/81/75/809168175.db2.gz	RMAJXESOXKIRIT-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc(C(=O)[O-])s1	ZINC001174809003	809168457	/nfs/dbraw/zinc/16/84/57/809168457.db2.gz	XZWMHHDPMFEWDI-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174952043	809212684	/nfs/dbraw/zinc/21/26/84/809212684.db2.gz	KZNYIMYELIVONE-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(C#N)c1	ZINC001174952579	809213211	/nfs/dbraw/zinc/21/32/11/809213211.db2.gz	XEGQRHFKEGCJOB-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]OCc1ccccn1)c1ccccc1	ZINC001299115788	809545254	/nfs/dbraw/zinc/54/52/54/809545254.db2.gz	QGAYZHRBVJMUGR-QGZVFWFLSA-N	-1	0	296.370	3.379	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1ccncc1)C1CCCCC1	ZINC001300210986	809564021	/nfs/dbraw/zinc/56/40/21/809564021.db2.gz	NAXJAEACGBVYCQ-BBRMVZONSA-N	-1	0	288.391	3.368	20	30		CGEDRM
C=CCCONC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C	ZINC001301635475	809585094	/nfs/dbraw/zinc/58/50/94/809585094.db2.gz	NZWZPZXHOWUZDJ-KGLIPLIRSA-N	-1	0	259.349	3.050	20	30		CGEDRM
COc1cc(Nc2ccc(F)cc2C#N)cc(C(=O)[O-])c1	ZINC001213595340	815308307	/nfs/dbraw/zinc/30/83/07/815308307.db2.gz	ZSDBYHGDQVIXSA-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176589790	809725244	/nfs/dbraw/zinc/72/52/44/809725244.db2.gz	YHQICKOTWVFGMD-UHFFFAOYSA-N	-1	0	294.310	3.124	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176669859	809739794	/nfs/dbraw/zinc/73/97/94/809739794.db2.gz	NDJBJAJYFLLIQW-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1C#N	ZINC001176712591	809747607	/nfs/dbraw/zinc/74/76/07/809747607.db2.gz	JKHBNDFBEZBEOI-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213632127	815314328	/nfs/dbraw/zinc/31/43/28/815314328.db2.gz	WVBUISXTUADSIR-UHFFFAOYSA-N	-1	0	282.299	3.025	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1C#N	ZINC001213632159	815314592	/nfs/dbraw/zinc/31/45/92/815314592.db2.gz	YLOQATQTKUSVGN-UHFFFAOYSA-N	-1	0	291.310	3.191	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213634412	815315095	/nfs/dbraw/zinc/31/50/95/815315095.db2.gz	QFHMFDKFAPRLCH-UHFFFAOYSA-N	-1	0	282.299	3.025	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213634455	815315414	/nfs/dbraw/zinc/31/54/14/815315414.db2.gz	QZLJKCQPXUOQDJ-UHFFFAOYSA-N	-1	0	265.312	3.429	20	30		CGEDRM
Cc1ccccc1C(C)(C)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184247539	810184998	/nfs/dbraw/zinc/18/49/98/810184998.db2.gz	TWZCANBTLGZTGM-UHFFFAOYSA-N	-1	0	296.390	3.396	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCc1sccc1Cl	ZINC001184246696	810185467	/nfs/dbraw/zinc/18/54/67/810185467.db2.gz	YJOLGNZMLZNZJN-UHFFFAOYSA-N	-1	0	294.783	3.067	20	30		CGEDRM
CCCCN(O)C(=O)CCCOc1ccccc1F	ZINC001184314775	810190569	/nfs/dbraw/zinc/19/05/69/810190569.db2.gz	JVHLWQRMXWDDAJ-UHFFFAOYSA-N	-1	0	269.316	3.003	20	30		CGEDRM
CNc1ccc(C#N)cc1NC(=O)c1cccc([S-])c1	ZINC001186152818	810316883	/nfs/dbraw/zinc/31/68/83/810316883.db2.gz	QAAIONSAKOXTCR-UHFFFAOYSA-N	-1	0	283.356	3.141	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cccc([S-])c2)cc1F	ZINC001186155424	810317106	/nfs/dbraw/zinc/31/71/06/810317106.db2.gz	CRACAFLVJGMEEF-UHFFFAOYSA-N	-1	0	271.316	3.348	20	30		CGEDRM
N#Cc1ccc2ccccc2c1[N-]S(=O)(=O)C1CCC1	ZINC001188130015	810455849	/nfs/dbraw/zinc/45/58/49/810455849.db2.gz	DJLWVDHTXRGKRV-UHFFFAOYSA-N	-1	0	286.356	3.006	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cccc(C#N)c1	ZINC001214273524	815393344	/nfs/dbraw/zinc/39/33/44/815393344.db2.gz	CXDBMMRMIFNEMG-UHFFFAOYSA-N	-1	0	282.299	3.399	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)cc1O	ZINC001214401749	815404091	/nfs/dbraw/zinc/40/40/91/815404091.db2.gz	FCBFRBYMIIMQIJ-UHFFFAOYSA-N	-1	0	266.709	3.428	20	30		CGEDRM
CCCCCOC(=O)Nc1scc([O-])c1C#N	ZINC001193739709	810945615	/nfs/dbraw/zinc/94/56/15/810945615.db2.gz	WWTKWACTNKLARL-UHFFFAOYSA-N	-1	0	254.311	3.064	20	30		CGEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c([O-])c1	ZINC001195733844	811283396	/nfs/dbraw/zinc/28/33/96/811283396.db2.gz	WZOFPRGEELWJTG-MRXNPFEDSA-N	-1	0	292.338	3.071	20	30		CGEDRM
N#Cc1cncc(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214791321	815452003	/nfs/dbraw/zinc/45/20/03/815452003.db2.gz	QRERWFNGQMMYNN-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)cn1	ZINC001214797582	815452673	/nfs/dbraw/zinc/45/26/73/815452673.db2.gz	AJYQVMIUZSMSMK-UHFFFAOYSA-N	-1	0	262.671	3.305	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201222885	811799655	/nfs/dbraw/zinc/79/96/55/811799655.db2.gz	RFLKCQBPXRCFOR-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#Cc1ccc(Nc2cncc(O)c2)c(F)c1Cl	ZINC001201646702	811930217	/nfs/dbraw/zinc/93/02/17/811930217.db2.gz	LLPZYTSDZNRGQD-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
CC(C)Oc1ccc(F)c([N-]c2oncc2C#N)c1F	ZINC001215173126	815491586	/nfs/dbraw/zinc/49/15/86/815491586.db2.gz	RSDWEEPKQTYCLY-UHFFFAOYSA-N	-1	0	279.246	3.355	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2ccccc2F)c1	ZINC001202002662	811994716	/nfs/dbraw/zinc/99/47/16/811994716.db2.gz	QNZVRJZVEAPWHH-UHFFFAOYSA-N	-1	0	271.251	3.047	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2ccc([S-])cc2)c1	ZINC001202786869	812174511	/nfs/dbraw/zinc/17/45/11/812174511.db2.gz	CLRBFQPPRYJALW-UHFFFAOYSA-N	-1	0	269.329	3.491	20	30		CGEDRM
N#Cc1ncc(Nc2ccc(C(=O)[O-])cc2F)cc1Cl	ZINC001203286941	812293382	/nfs/dbraw/zinc/29/33/82/812293382.db2.gz	YVJPYMKXGQGCQI-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203293495	812297904	/nfs/dbraw/zinc/29/79/04/812297904.db2.gz	PICCEDHHQIRAPW-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)c([O-])cc1F)CCC2	ZINC001206768056	813430346	/nfs/dbraw/zinc/43/03/46/813430346.db2.gz	OYMLGQOVSQFPDM-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209888997	814189685	/nfs/dbraw/zinc/18/96/85/814189685.db2.gz	IJRLDVRWGWKXKT-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889806	814189854	/nfs/dbraw/zinc/18/98/54/814189854.db2.gz	UPDVLIOQEWRNSM-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ccc(Nc2ccc(OC)c(C(=O)[O-])c2)c(C#N)c1	ZINC001209902347	814193968	/nfs/dbraw/zinc/19/39/68/814193968.db2.gz	DHTOOFXCAKBLAO-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
CC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2F)c(C#N)c1	ZINC001210241854	814361877	/nfs/dbraw/zinc/36/18/77/814361877.db2.gz	ZEBBHQHGTLGVMW-UHFFFAOYSA-N	-1	0	298.273	3.342	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210243007	814362576	/nfs/dbraw/zinc/36/25/76/814362576.db2.gz	YHXGSLMSSCKGNW-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])ccc2OC)cc1F	ZINC001210261068	814370871	/nfs/dbraw/zinc/37/08/71/814370871.db2.gz	UOVTVXJWTGRWDX-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cccc(OC)c1C#N	ZINC001210260797	814371034	/nfs/dbraw/zinc/37/10/34/814371034.db2.gz	QVIMYBWDQIPGEQ-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1cc(C#N)cc([N-]c2nnc(-c3ccco3)o2)c1	ZINC001210387593	814437252	/nfs/dbraw/zinc/43/72/52/814437252.db2.gz	JRCNQIFCCOYFTA-UHFFFAOYSA-N	-1	0	266.260	3.253	20	30		CGEDRM
CCc1cc(C#N)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210400101	814445491	/nfs/dbraw/zinc/44/54/91/814445491.db2.gz	AIZFLBMVFSZLNI-UHFFFAOYSA-N	-1	0	283.287	3.478	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cccc([O-])c2Cl)c1	ZINC001210851802	814650454	/nfs/dbraw/zinc/65/04/54/814650454.db2.gz	LEULMLTVENVBJC-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(N)c(F)c2)c([O-])cc1F	ZINC001210911246	814670219	/nfs/dbraw/zinc/67/02/19/814670219.db2.gz	IYKOUTADWADVTB-UHFFFAOYSA-N	-1	0	279.221	3.007	20	30		CGEDRM
N#Cc1cncc(Nc2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001210924563	814676134	/nfs/dbraw/zinc/67/61/34/814676134.db2.gz	MSJSVFFHMQSPSY-UHFFFAOYSA-N	-1	0	281.102	3.104	20	30		CGEDRM
COC(=O)c1scc(C#N)c1Nc1cccc([S-])c1	ZINC001210945584	814684829	/nfs/dbraw/zinc/68/48/29/814684829.db2.gz	UYILZGXTOVJSMA-UHFFFAOYSA-N	-1	0	290.369	3.439	20	30		CGEDRM
N#Cc1cc2nc(-c3cccc([O-])c3Cl)ccc2[nH]1	ZINC001242801715	823137330	/nfs/dbraw/zinc/13/73/30/823137330.db2.gz	WABNVOYSJJUCSH-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)s2)cc(C(=O)[O-])c1	ZINC001211539138	814903694	/nfs/dbraw/zinc/90/36/94/814903694.db2.gz	HQQKZECJIGCZAY-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)c(C#N)c1	ZINC001211601809	814915974	/nfs/dbraw/zinc/91/59/74/814915974.db2.gz	MHTPJKXIEUBKGS-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccc(Nc2cccc(C#N)c2F)cc1C(=O)[O-]	ZINC001211604277	814916995	/nfs/dbraw/zinc/91/69/95/814916995.db2.gz	YERQVEWPOKRWMK-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(Nc2cccc(C#N)n2)cc(C)c1C(=O)[O-]	ZINC001216307363	815773649	/nfs/dbraw/zinc/77/36/49/815773649.db2.gz	BKJYTJPVFWYVFA-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1c(Nc2ccc(F)cc2C#N)cccc1C(=O)[O-]	ZINC001216662083	815889035	/nfs/dbraw/zinc/88/90/35/815889035.db2.gz	YDEALYAIFADWRP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1oc(Nc2cc(CC(=O)[O-])ccc2F)c(C#N)c1C	ZINC001216677573	815891042	/nfs/dbraw/zinc/89/10/42/815891042.db2.gz	OKCFEGISADANHL-UHFFFAOYSA-N	-1	0	288.278	3.278	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cc(CC(=O)[O-])ccc2F)c1	ZINC001216682747	815893929	/nfs/dbraw/zinc/89/39/29/815893929.db2.gz	AXRSUTOYPFJKIP-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)c([O-])c1	ZINC001217040409	815907377	/nfs/dbraw/zinc/90/73/77/815907377.db2.gz	VAKWDYQOOPHCNE-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1c2ccccc2cnc1-c1ccccc1C(=O)[O-]	ZINC001242876485	823160916	/nfs/dbraw/zinc/16/09/16/823160916.db2.gz	FSOKXOZVHKUGIM-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1cc(-c2ccccc2C(=O)[O-])ccc1CC#N	ZINC001242878507	823162020	/nfs/dbraw/zinc/16/20/20/823162020.db2.gz	WBBJEWLTMYQXTK-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#Cc1cc(-c2ccccc2C(=O)[O-])ncc1C(F)(F)F	ZINC001242878713	823162398	/nfs/dbraw/zinc/16/23/98/823162398.db2.gz	IAWWFRWWMXCVCT-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(F)c1CC#N	ZINC001242927762	823175440	/nfs/dbraw/zinc/17/54/40/823175440.db2.gz	ZCVVDIZBAGWEFA-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCC[C@@H]2C)c1	ZINC001223889154	816697815	/nfs/dbraw/zinc/69/78/15/816697815.db2.gz	ZRJMUHIBAVBMMZ-CSBNQFNMSA-N	-1	0	279.336	3.045	20	30		CGEDRM
N#Cc1cc(-c2ccc(F)c([O-])c2)ncc1C(F)(F)F	ZINC001243046719	823223724	/nfs/dbraw/zinc/22/37/24/823223724.db2.gz	HCDUYRUJQIXQBQ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
C=C[C@H](CCCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225019183	816933845	/nfs/dbraw/zinc/93/38/45/816933845.db2.gz	UJZWNYLOWKEDLA-CYBMUJFWSA-N	-1	0	278.329	3.486	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](Oc2nc(Cl)cc(=O)[n-]2)C(C)(C)O1	ZINC001225561782	817093003	/nfs/dbraw/zinc/09/30/03/817093003.db2.gz	BURHHCFQUUFSQN-YMTOWFKASA-N	-1	0	298.770	3.117	20	30		CGEDRM
C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1C#N	ZINC001225619986	817115743	/nfs/dbraw/zinc/11/57/43/817115743.db2.gz	MDMUWMIYGMZJKR-JTQLQIEISA-N	-1	0	284.271	3.312	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009154	817248389	/nfs/dbraw/zinc/24/83/89/817248389.db2.gz	TZSAUWYTJBFOGX-CQSZACIVSA-N	-1	0	284.290	3.494	20	30		CGEDRM
Cc1ccc2c(c1)[C@H](Oc1[n-]c(=O)c(F)cc1C#N)CC2	ZINC001226014661	817250168	/nfs/dbraw/zinc/25/01/68/817250168.db2.gz	YWMSTICYNHACBX-CQSZACIVSA-N	-1	0	284.290	3.173	20	30		CGEDRM
C=CC[C@@H](Oc1nc(C)cc(=O)[n-]1)c1ccccc1	ZINC001226157607	817288039	/nfs/dbraw/zinc/28/80/39/817288039.db2.gz	BVYCXMKNHTYKHQ-CYBMUJFWSA-N	-1	0	256.305	3.187	20	30		CGEDRM
COc1ccccc1[C@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226221725	817302156	/nfs/dbraw/zinc/30/21/56/817302156.db2.gz	QEHWRQCZLRXEKJ-NSHDSACASA-N	-1	0	284.315	3.116	20	30		CGEDRM
C[C@H](Oc1ncc(Br)cc1C#N)C1=CC=C[CH]1	ZINC001226282932	817318759	/nfs/dbraw/zinc/31/87/59/817318759.db2.gz	LXYCIHFGUJMNEV-VIFPVBQESA-N	-1	0	290.140	3.184	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccnc(=S)[nH]2)C1	ZINC001226939881	817511217	/nfs/dbraw/zinc/51/12/17/817511217.db2.gz	JWCJQFUGYAYQKF-RYUDHWBXSA-N	-1	0	262.378	3.445	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001243180854	823276721	/nfs/dbraw/zinc/27/67/21/823276721.db2.gz	QPUGCAZTCVGACP-VLGSPTGOSA-N	-1	0	281.311	3.485	20	30		CGEDRM
CO/N=C/c1cc(-c2cc(C)cc(C(=O)[O-])c2)ccc1F	ZINC001243181338	823277208	/nfs/dbraw/zinc/27/72/08/823277208.db2.gz	XHRUSNROBPNFLI-GIJQJNRQSA-N	-1	0	287.290	3.480	20	30		CGEDRM
COc1ccc(-c2ccc(C)c(C(=O)[O-])c2)c(CC#N)c1	ZINC001243197921	823286532	/nfs/dbraw/zinc/28/65/32/823286532.db2.gz	UXHXZPXEJNQGHZ-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](Oc2[n-]ncc(=O)c2Cl)C(C)(C)O1	ZINC001228391315	817895437	/nfs/dbraw/zinc/89/54/37/817895437.db2.gz	VFQYPMFQIVLABJ-YGRLFVJLSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CC[C@H](CCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228436447	817906722	/nfs/dbraw/zinc/90/67/22/817906722.db2.gz	CQLUQJJOVOLROR-GFCCVEGCSA-N	-1	0	290.392	3.075	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)ncc1Cl	ZINC001228481603	817918254	/nfs/dbraw/zinc/91/82/54/817918254.db2.gz	FGBGVZLFWNNFOF-VIFPVBQESA-N	-1	0	256.733	3.349	20	30		CGEDRM
N#C[C@H]1CCCCN1Cc1ccc(O)c(C(F)(F)F)c1	ZINC001231521846	818120726	/nfs/dbraw/zinc/12/07/26/818120726.db2.gz	FIPQBGOQEXYHEA-LLVKDONJSA-N	-1	0	284.281	3.289	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cc(Cl)cc(C(=O)[O-])c3)c12	ZINC001243326816	823349424	/nfs/dbraw/zinc/34/94/24/823349424.db2.gz	XLJWYWOVQNVMEW-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835040	818715020	/nfs/dbraw/zinc/71/50/20/818715020.db2.gz	UWNILQLFZVWFKG-SECBINFHSA-N	-1	0	294.372	3.364	20	30		CGEDRM
CCCC[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511851	818870544	/nfs/dbraw/zinc/87/05/44/818870544.db2.gz	XHZWFKTYEAGUPR-SNVBAGLBSA-N	-1	0	271.320	3.165	20	30		CGEDRM
COc1ccc([C@H](C)Oc2ccccc2C=N[O-])cn1	ZINC001234819663	818927422	/nfs/dbraw/zinc/92/74/22/818927422.db2.gz	NOFAXIJFEKOHRQ-NSHDSACASA-N	-1	0	272.304	3.038	20	30		CGEDRM
Cc1nc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1C#N	ZINC001235150452	819016553	/nfs/dbraw/zinc/01/65/53/819016553.db2.gz	XXNMDKMQIXVZHV-RUDMXATFSA-N	-1	0	264.284	3.027	20	30		CGEDRM
CCOc1cc(-c2ccc(/C=N/[O-])c(F)c2)c(F)cn1	ZINC001235874306	819192539	/nfs/dbraw/zinc/19/25/39/819192539.db2.gz	KYAINCSFGLFNNT-CNHKJKLMSA-N	-1	0	278.258	3.234	20	30		CGEDRM
O=C([O-])c1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1	ZINC001236064611	819297316	/nfs/dbraw/zinc/29/73/16/819297316.db2.gz	RSEKSZVSJPJWNB-ICFOKQHNSA-N	-1	0	267.284	3.176	20	30		CGEDRM
Cc1c(Cl)c(-c2cccc(CC#N)n2)ccc1C(=O)[O-]	ZINC001236112295	819326839	/nfs/dbraw/zinc/32/68/39/819326839.db2.gz	FPVCNGBJWWFZOH-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(F)c(C(=O)[O-])c(F)c2)nc1C	ZINC001239333432	820279145	/nfs/dbraw/zinc/27/91/45/820279145.db2.gz	OWXLXPQJTZETHE-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#Cc1nc(-c2cc(F)ccc2[O-])ccc1C(F)(F)F	ZINC001240693749	821249851	/nfs/dbraw/zinc/24/98/51/821249851.db2.gz	XYAYKHNVGRLLBY-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])s3)nc2)CCC1	ZINC001240843671	821364809	/nfs/dbraw/zinc/36/48/09/821364809.db2.gz	YJPNOSRCTWNWBY-UHFFFAOYSA-N	-1	0	284.340	3.454	20	30		CGEDRM
N#Cc1ccc(-c2ccc(CC(=O)[O-])cc2)c2cc[nH]c21	ZINC001240976008	821459610	/nfs/dbraw/zinc/45/96/10/821459610.db2.gz	OXVYYDMCEYFPCV-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c(CC#N)c1	ZINC001241001034	821479472	/nfs/dbraw/zinc/47/94/72/821479472.db2.gz	QSECJFSISDVOSL-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
COc1cc(-c2cc(C(=O)[O-])ccc2C)ccc1CC#N	ZINC001241001358	821479960	/nfs/dbraw/zinc/47/99/60/821479960.db2.gz	YJRXXENTWPMIQN-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241184781	821621790	/nfs/dbraw/zinc/62/17/90/821621790.db2.gz	HJFQBBJJJRFHBU-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
O=C([O-])c1cc(-c2ccc(/C=N/O)c(F)c2)ccc1F	ZINC001241246672	821668087	/nfs/dbraw/zinc/66/80/87/821668087.db2.gz	ATMSRJROIJUEGU-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
O=C([O-])c1cc(-c2ccc3c(c2)CC/C3=N/O)ccc1F	ZINC001241247371	821669168	/nfs/dbraw/zinc/66/91/68/821669168.db2.gz	QUCDSGBXTCEKKQ-SDXDJHTJSA-N	-1	0	285.274	3.315	20	30		CGEDRM
N#Cc1cc2cc(-c3cccc(C(=O)[O-])c3)ccc2[nH]1	ZINC001241359387	821760643	/nfs/dbraw/zinc/76/06/43/821760643.db2.gz	OBRJKOWCYZYYNT-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
[O-]/N=C/c1cc(C2=CCOCC2)cc(C(F)(F)F)c1	ZINC001242077448	822338760	/nfs/dbraw/zinc/33/87/60/822338760.db2.gz	RIFLZGNQBDMUBJ-CAOOACKPSA-N	-1	0	271.238	3.317	20	30		CGEDRM
N#CCc1ccc(-c2cccc(CC(=O)[O-])c2)c(F)c1	ZINC001242262521	822929793	/nfs/dbraw/zinc/92/97/93/822929793.db2.gz	OKQCZAAFRLJTMN-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
CCc1cc(-c2ccc(C(=O)[O-])nc2)cc(CC)c1C#N	ZINC001242337403	822954547	/nfs/dbraw/zinc/95/45/47/822954547.db2.gz	BDWNDDFFCIREHR-UHFFFAOYSA-N	-1	0	280.327	3.443	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1cccc(F)c1[O-]	ZINC001242349201	822959946	/nfs/dbraw/zinc/95/99/46/822959946.db2.gz	DPLKZZNDTZYXMF-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3cccc(F)c3[O-])cc12	ZINC001242352106	822961770	/nfs/dbraw/zinc/96/17/70/822961770.db2.gz	MMGBYINMCQMEDB-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1C#N	ZINC001242364088	822968256	/nfs/dbraw/zinc/96/82/56/822968256.db2.gz	BAFCNNXAKHCYTI-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#CCc1cnc(F)c(-c2cccc(Cl)c2[O-])c1	ZINC001242366476	822968687	/nfs/dbraw/zinc/96/86/87/822968687.db2.gz	YFPZEUOIQHYEEC-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
C=CC[C@H](NC(=O)[C@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC001339861068	936389003	/nfs/dbraw/zinc/38/90/03/936389003.db2.gz	DVHMRWRREYKVIE-KGLIPLIRSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CC(C)Sc1ccccc1C([O-])=C(C#N)c1nccn1C	ZINC001342275081	936464065	/nfs/dbraw/zinc/46/40/65/936464065.db2.gz	CRWYSLOWPCKRBG-CYBMUJFWSA-N	-1	0	299.399	3.411	20	30		CGEDRM
CCCCCCCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001343132445	936489307	/nfs/dbraw/zinc/48/93/07/936489307.db2.gz	FCKAIAMPIOOUSK-CQSZACIVSA-N	-1	0	298.427	3.243	20	30		CGEDRM
Cc1ccc2oc(C([O-])=C(C#N)c3cccc(F)n3)cc2n1	ZINC001343331140	936495176	/nfs/dbraw/zinc/49/51/76/936495176.db2.gz	OGNZBSAATGERBD-JTQLQIEISA-N	-1	0	295.273	3.160	20	30		CGEDRM
N#Cc1ccc(Nc2ccccc2C(=O)[O-])c(F)c1	ZINC000168436881	927332924	/nfs/dbraw/zinc/33/29/24/927332924.db2.gz	CVWGGUIJNYPWJQ-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#CCC[C@H](NC(=O)c1cccc(F)c1[O-])c1ccccc1	ZINC001357212313	937167727	/nfs/dbraw/zinc/16/77/27/937167727.db2.gz	KVIFCGUBEBWZPA-HNNXBMFYSA-N	-1	0	298.317	3.306	20	30		CGEDRM
C#Cc1cccc(N(CC)C(=O)Cc2ccc(O)c(F)c2)c1	ZINC001443412519	937347292	/nfs/dbraw/zinc/34/72/92/937347292.db2.gz	UKWGKKVFLSUEMH-UHFFFAOYSA-N	-1	0	297.329	3.108	20	30		CGEDRM
N#C[C@H](CCc1ccccc1)C(=O)[N-]Oc1ccccc1F	ZINC001455478867	937417895	/nfs/dbraw/zinc/41/78/95/937417895.db2.gz	GHMGVXQRPRPQJT-AWEZNQCLSA-N	-1	0	298.317	3.008	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC001228901751	932047788	/nfs/dbraw/zinc/04/77/88/932047788.db2.gz	NUEKLSGCJWIRCR-YRGRVCCFSA-N	-1	0	272.348	3.397	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228902756	932049099	/nfs/dbraw/zinc/04/90/99/932049099.db2.gz	UIGLJPAPILBYHJ-CQSZACIVSA-N	-1	0	266.300	3.355	20	30		CGEDRM
C=C1O[C@@H](CC)C(=O)C1Oc1ccc([S-])cc1C	ZINC001229638806	932183380	/nfs/dbraw/zinc/18/33/80/932183380.db2.gz	WTDXXFYAYHAYNN-NSHDSACASA-N	-1	0	264.346	3.272	20	30		CGEDRM
C#CC[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229797595	932485596	/nfs/dbraw/zinc/48/55/96/932485596.db2.gz	HRFKKAUAXRIGMW-NSHDSACASA-N	-1	0	294.306	3.442	20	30		CGEDRM
C=CCO[N-]C(=O)COc1ccc(Oc2ccccc2)cc1	ZINC001472564104	937777696	/nfs/dbraw/zinc/77/76/96/937777696.db2.gz	VWJPKDXMYSMOTQ-UHFFFAOYSA-N	-1	0	299.326	3.092	20	30		CGEDRM
COC(=O)c1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC001324737092	934559610	/nfs/dbraw/zinc/55/96/10/934559610.db2.gz	TXWDYRRKYUVIRO-AATRIKPKSA-N	-1	0	288.324	3.136	20	30		CGEDRM
C[C@H]1C(=NOC(C)(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC001326241260	934962268	/nfs/dbraw/zinc/96/22/68/934962268.db2.gz	ZDFIHTOFKCRQAO-UWVGGRQHSA-N	-1	0	255.358	3.314	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1	ZINC001327263335	935049304	/nfs/dbraw/zinc/04/93/04/935049304.db2.gz	DUCYJKLPJZGMLA-TVNXGIHDSA-N	-1	0	296.273	3.153	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1cccc(F)c1[O-]	ZINC001336218948	936181869	/nfs/dbraw/zinc/18/18/69/936181869.db2.gz	TXIJUHOZAFQARV-NSHDSACASA-N	-1	0	263.312	3.102	20	30		CGEDRM
CC(C)(C)ON=Cc1ccc(C(=O)[O-])cc1Cl	ZINC001337627147	936275228	/nfs/dbraw/zinc/27/52/28/936275228.db2.gz	ZDMNXJUAIHOQOL-UHFFFAOYSA-N	-1	0	255.701	3.187	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1	ZINC001546332296	938000442	/nfs/dbraw/zinc/00/04/42/938000442.db2.gz	DADLLPZOVADMJX-VIKVFOODSA-N	-1	0	284.359	3.419	20	30		CGEDRM
CN(C(=O)c1cccc(Cl)c1[O-])c1ccc(C#N)cc1	ZINC001532302284	938085967	/nfs/dbraw/zinc/08/59/67/938085967.db2.gz	HFFRDAXCLSDQOY-UHFFFAOYSA-N	-1	0	286.718	3.194	20	30		CGEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC001536827093	938106966	/nfs/dbraw/zinc/10/69/66/938106966.db2.gz	WCMBVFIPVVYYQA-CQSZACIVSA-N	-1	0	280.755	3.104	20	30		CGEDRM
CCCCCCCCCNC(=O)c1ccc(O)cn1	ZINC001543368938	938139156	/nfs/dbraw/zinc/13/91/56/938139156.db2.gz	NCMWJIYCTSMNGW-UHFFFAOYSA-N	-1	0	264.369	3.268	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001544952505	938147856	/nfs/dbraw/zinc/14/78/56/938147856.db2.gz	BXOLVYCCPCQVTM-LLVKDONJSA-N	-1	0	281.400	3.150	20	30		CGEDRM
N#Cc1ccc2c(c1)CN(C(=O)c1c(O)cccc1Cl)C2	ZINC001557207674	938208467	/nfs/dbraw/zinc/20/84/67/938208467.db2.gz	VTBBTYJMNZSKBR-UHFFFAOYSA-N	-1	0	298.729	3.073	20	30		CGEDRM
C=CCO[N-]C(=O)CSc1ccc2c3c(cccc31)CC2	ZINC001558982238	938218871	/nfs/dbraw/zinc/21/88/71/938218871.db2.gz	WDQJRYIBTZUDCA-UHFFFAOYSA-N	-1	0	299.395	3.264	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1	ZINC001602712380	971355056	/nfs/dbraw/zinc/35/50/56/971355056.db2.gz	PATNCYPSNZZEIS-MRXNPFEDSA-N	-1	0	273.332	3.159	20	30		CGEDRM
CCCCCCCCNC(=O)c1cccc(C(=O)[O-])c1	ZINC000147288937	949351451	/nfs/dbraw/zinc/35/14/51/949351451.db2.gz	BNUBVSJGVFLQAV-UHFFFAOYSA-N	-1	0	277.364	3.475	20	30		CGEDRM
C=C(C)CCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000387464195	972124479	/nfs/dbraw/zinc/12/44/79/972124479.db2.gz	SGJFHWNGYIIKMV-UHFFFAOYSA-N	-1	0	282.727	3.126	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000059269350	957562037	/nfs/dbraw/zinc/56/20/37/957562037.db2.gz	FEAMXPGYOQUGTK-CYBMUJFWSA-N	-1	0	271.401	3.353	20	30		CGEDRM
C#CCCCCC(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC000234157766	960342827	/nfs/dbraw/zinc/34/28/27/960342827.db2.gz	IMTOTQIHGTXHPK-UHFFFAOYSA-N	-1	0	279.361	3.141	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccsc1CC(=O)[O-]	ZINC001602870712	960551865	/nfs/dbraw/zinc/55/18/65/960551865.db2.gz	QLGLAPDHRJGOMR-UHFFFAOYSA-N	-1	0	295.404	3.194	20	30		CGEDRM
CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccoc1	ZINC001602992190	960552115	/nfs/dbraw/zinc/55/21/15/960552115.db2.gz	MWNCBJJNZTYPII-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001573329073	962248862	/nfs/dbraw/zinc/24/88/62/962248862.db2.gz	WJYJOPGBHHRLEE-UHFFFAOYSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)C1(CC(=O)[O-])CCC1	ZINC001588463315	962761542	/nfs/dbraw/zinc/76/15/42/962761542.db2.gz	MMTITJTWSKUZJL-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC001573329254	962812823	/nfs/dbraw/zinc/81/28/23/962812823.db2.gz	BFZKLCRLMRULQQ-UHFFFAOYSA-N	-1	0	259.305	3.070	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1	ZINC001573333308	962857184	/nfs/dbraw/zinc/85/71/84/962857184.db2.gz	ZQZVPGLXEUEPOX-KBPBESRZSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC001588529586	963275109	/nfs/dbraw/zinc/27/51/09/963275109.db2.gz	ABLFBYSIQFOMFW-VIFPVBQESA-N	-1	0	266.293	3.184	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccc(C)c(C(=O)[O-])c2)c1	ZINC001588522127	963279108	/nfs/dbraw/zinc/27/91/08/963279108.db2.gz	CXRFBJCIOLMJCF-UHFFFAOYSA-N	-1	0	279.339	3.311	20	30		CGEDRM
C=CCCC1(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCCC1	ZINC001588457342	963280094	/nfs/dbraw/zinc/28/00/94/963280094.db2.gz	VQMUWGUQBREWBJ-ZDUSSCGKSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=CCCC[C@@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1	ZINC001588595116	963281424	/nfs/dbraw/zinc/28/14/24/963281424.db2.gz	YVIOJDYUJXCJMJ-SSDOTTSWSA-N	-1	0	298.803	3.133	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588559960	963285018	/nfs/dbraw/zinc/28/50/18/963285018.db2.gz	WFSOMRSNOJAFLH-UHFFFAOYSA-N	-1	0	285.702	3.472	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCc1cc(C)ncn1	ZINC001588576829	963287857	/nfs/dbraw/zinc/28/78/57/963287857.db2.gz	AMUMOIHLIWJCJX-UHFFFAOYSA-N	-1	0	298.342	3.181	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1nc(CCCC(=O)[O-])cs1	ZINC001588605592	963291295	/nfs/dbraw/zinc/29/12/95/963291295.db2.gz	HSVVTJFQDWCLOL-UHFFFAOYSA-N	-1	0	296.392	3.091	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC001588605438	963292391	/nfs/dbraw/zinc/29/23/91/963292391.db2.gz	FPXCIZNZDQZWGO-UHFFFAOYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1cccc2ccccc21	ZINC001588630627	963294099	/nfs/dbraw/zinc/29/40/99/963294099.db2.gz	UJTOQQWNYXGZTM-CYBMUJFWSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)C=CCCC2	ZINC001588633659	963294171	/nfs/dbraw/zinc/29/41/71/963294171.db2.gz	MAPAQLYLTWFMNY-UHFFFAOYSA-N	-1	0	285.343	3.396	20	30		CGEDRM
C=C1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1	ZINC001588650039	963296158	/nfs/dbraw/zinc/29/61/58/963296158.db2.gz	URYAKIHWKRXRPW-UHFFFAOYSA-N	-1	0	288.347	3.131	20	30		CGEDRM
C=C1CC(C)(c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)C1	ZINC001588644204	963297267	/nfs/dbraw/zinc/29/72/67/963297267.db2.gz	HHJVCVJHIRVLJO-MNOVXSKESA-N	-1	0	276.336	3.036	20	30		CGEDRM
C=C[C@@H](C(=O)[O-])N1CCCc2cc(C(C)(C)C)ccc21	ZINC001588662687	963297791	/nfs/dbraw/zinc/29/77/91/963297791.db2.gz	FKPUHDFBPKCKJS-AWEZNQCLSA-N	-1	0	273.376	3.376	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588673307	963298811	/nfs/dbraw/zinc/29/88/11/963298811.db2.gz	QJLBGLYJLBXNGC-UHFFFAOYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C1CCC(CNC(=O)NCCCCCCC(=O)[O-])CC1	ZINC001588650101	963299866	/nfs/dbraw/zinc/29/98/66/963299866.db2.gz	YATNQNLANZLQSB-UHFFFAOYSA-N	-1	0	296.411	3.067	20	30		CGEDRM
C=C[C@@H](Nc1cc(-c2ccncc2)ccc1C)C(=O)[O-]	ZINC001588702552	963303752	/nfs/dbraw/zinc/30/37/52/963303752.db2.gz	UKSXZOSYTBDGBO-CQSZACIVSA-N	-1	0	268.316	3.108	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC001588693444	963305506	/nfs/dbraw/zinc/30/55/06/963305506.db2.gz	YNCHZGIFSWEDSJ-SNVBAGLBSA-N	-1	0	280.295	3.340	20	30		CGEDRM
C=C[C@@H](Nc1cc(-c2cccnc2)ccc1C)C(=O)[O-]	ZINC001588702017	963306273	/nfs/dbraw/zinc/30/62/73/963306273.db2.gz	GEEJJVZABKEFET-CQSZACIVSA-N	-1	0	268.316	3.108	20	30		CGEDRM
C=C[C@@H](Nc1ccc(Oc2cccnc2)c(C)c1)C(=O)[O-]	ZINC001588702233	963306663	/nfs/dbraw/zinc/30/66/63/963306663.db2.gz	NSEBPOXPBWFDJH-CQSZACIVSA-N	-1	0	284.315	3.233	20	30		CGEDRM
C=CC[C@H](Nc1cccc(SC(F)F)c1)C(=O)[O-]	ZINC001588751330	963310126	/nfs/dbraw/zinc/31/01/26/963310126.db2.gz	LNDMGEFJLHLZCO-JTQLQIEISA-N	-1	0	273.304	3.443	20	30		CGEDRM
C=CCC(C)(C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC001588731607	963310715	/nfs/dbraw/zinc/31/07/15/963310715.db2.gz	LGQMGGTVJNVBRO-CYBMUJFWSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC001588745525	963311041	/nfs/dbraw/zinc/31/10/41/963311041.db2.gz	KBXIGTFHYAVCCR-NXEZZACHSA-N	-1	0	282.409	3.121	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588731870	963312027	/nfs/dbraw/zinc/31/20/27/963312027.db2.gz	PICHQYITRJHSPN-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])s1	ZINC001588784870	963316312	/nfs/dbraw/zinc/31/63/12/963316312.db2.gz	CPSXVAAMZYMNJL-SECBINFHSA-N	-1	0	282.365	3.313	20	30		CGEDRM
C=CCCC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588776910	963317773	/nfs/dbraw/zinc/31/77/73/963317773.db2.gz	MVTGTKULJXRGHI-UHFFFAOYSA-N	-1	0	268.696	3.048	20	30		CGEDRM
C=CCCc1ccccc1N[C@H](C)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588817549	963320122	/nfs/dbraw/zinc/32/01/22/963320122.db2.gz	LQURDDPOHWNMPD-BNOWGMLFSA-N	-1	0	259.349	3.326	20	30		CGEDRM
CC(=NNc1cccc2ncccc21)c1cc(C(=O)[O-])co1	ZINC001589017393	963341055	/nfs/dbraw/zinc/34/10/55/963341055.db2.gz	KVBWITGARFRGBB-UHFFFAOYSA-N	-1	0	295.298	3.362	20	30		CGEDRM
C=CCCCCNC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000314117974	963713323	/nfs/dbraw/zinc/71/33/23/963713323.db2.gz	DBCNPVQTFWDLJE-UHFFFAOYSA-N	-1	0	290.363	3.182	20	30		CGEDRM
CC(C)(C#N)CCCSCc1cncc(C(=O)[O-])c1	ZINC001589554647	964003479	/nfs/dbraw/zinc/00/34/79/964003479.db2.gz	JENMPWOBYWEURZ-UHFFFAOYSA-N	-1	0	278.377	3.343	20	30		CGEDRM
C#CCCCCCC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC001588440917	964047763	/nfs/dbraw/zinc/04/77/63/964047763.db2.gz	XRXDLBRDINVDHI-UHFFFAOYSA-N	-1	0	293.407	3.112	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000393748499	972634830	/nfs/dbraw/zinc/63/48/30/972634830.db2.gz	RUORHBFRCOGTHI-SNVBAGLBSA-N	-1	0	280.299	3.000	20	30		CGEDRM
COc1ccc(C(=O)[O-])c(OCc2ccc(CC#N)cc2)c1	ZINC000399132439	973193956	/nfs/dbraw/zinc/19/39/56/973193956.db2.gz	OIQUUABJZRJAAJ-UHFFFAOYSA-N	-1	0	297.310	3.038	20	30		CGEDRM
CC(CC1CCOCC1)N=Nc1cccc(F)c1C(=O)[O-]	ZINC001592463676	978190491	/nfs/dbraw/zinc/19/04/91/978190491.db2.gz	GTGLJXPWWZBYHG-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC001595705340	982284740	/nfs/dbraw/zinc/28/47/40/982284740.db2.gz	WSYRYMGTXKDQSQ-QWHCGFSZSA-N	-1	0	271.401	3.305	20	30		CGEDRM
CCN(C(=O)CCCCCC#N)c1ccccc1C(=O)[O-]	ZINC001596137128	983485493	/nfs/dbraw/zinc/48/54/93/983485493.db2.gz	FOAWWSGYNODVNW-UHFFFAOYSA-N	-1	0	288.347	3.212	20	30		CGEDRM
CCC(=O)c1cccc(C#N)c1OCc1ccoc1C(=O)[O-]	ZINC001594722512	987213315	/nfs/dbraw/zinc/21/33/15/987213315.db2.gz	QWVIXWFYELNDFG-UHFFFAOYSA-N	-1	0	299.282	3.021	20	30		CGEDRM
CCc1[nH]c(CN(CCC#N)CCC(C)C)cc1C(=O)[O-]	ZINC001597380661	987577875	/nfs/dbraw/zinc/57/78/75/987577875.db2.gz	VKFGUMAAGXWIRR-UHFFFAOYSA-N	-1	0	291.395	3.037	20	30		CGEDRM
COc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC001599599097	993789789	/nfs/dbraw/zinc/78/97/89/993789789.db2.gz	FGQZVYWJBMRLNE-NSHDSACASA-N	-1	0	296.326	3.438	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2F)CC1	ZINC001599103373	997429996	/nfs/dbraw/zinc/42/99/96/997429996.db2.gz	MGOLFACDALEPMJ-NSHDSACASA-N	-1	0	294.326	3.271	20	30		CGEDRM
C=CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1	ZINC000590552841	346850503	/nfs/dbraw/zinc/85/05/03/346850503.db2.gz	ZPFGHJSKECTYJO-UHFFFAOYSA-N	-1	0	298.298	3.133	20	30		CGEDRM
CC(C)C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000591325213	346915377	/nfs/dbraw/zinc/91/53/77/346915377.db2.gz	YXNJTUNSLJUGTH-LBPRGKRZSA-N	-1	0	289.379	3.162	20	30		CGEDRM
C=CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000594737285	347215123	/nfs/dbraw/zinc/21/51/23/347215123.db2.gz	WZSRFCXTSRRYJW-NSHDSACASA-N	-1	0	290.319	3.086	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cccc(C(F)F)c2C#N)C1	ZINC000595968232	347373572	/nfs/dbraw/zinc/37/35/72/347373572.db2.gz	JDSRNPQYZXYQSI-NXEZZACHSA-N	-1	0	294.301	3.043	20	30		CGEDRM
C[C@@H]1C[C@@H](CCNc2nc(C#N)c(Cl)s2)C[C@H](C)O1	ZINC000596227559	347400903	/nfs/dbraw/zinc/40/09/03/347400903.db2.gz	QVIUZZAKCCMVKX-ILWJIGKKSA-N	-1	0	299.827	3.096	20	30		CGEDRM
C[C@H](CC#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000597456334	347576143	/nfs/dbraw/zinc/57/61/43/347576143.db2.gz	AYZZXILIPJHTOA-ZCFIWIBFSA-N	-1	0	273.119	3.187	20	30		CGEDRM
CCCC[C@H](Sc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000600675342	347828009	/nfs/dbraw/zinc/82/80/09/347828009.db2.gz	LPDWBPIBXNPZTH-JTQLQIEISA-N	-1	0	284.768	3.342	20	30		CGEDRM
Cc1[n-]n(-c2ccccc2C(F)(F)F)c(=O)c1CCC#N	ZINC000603923944	348103173	/nfs/dbraw/zinc/10/31/73/348103173.db2.gz	SGRWQFBBQVBEKV-JTQLQIEISA-N	-1	0	295.264	3.348	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(C(F)F)o2)nc(C)n1	ZINC000626292735	350292291	/nfs/dbraw/zinc/29/22/91/350292291.db2.gz	AJKPBSUYSLAVLD-VIFPVBQESA-N	-1	0	291.257	3.114	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000628485599	350554479	/nfs/dbraw/zinc/55/44/79/350554479.db2.gz	PDPYYOSILZMKQR-SNVBAGLBSA-N	-1	0	265.740	3.084	20	30		CGEDRM
C=CCN(C(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000630287779	350820768	/nfs/dbraw/zinc/82/07/68/350820768.db2.gz	AHXGDLBIZXOEDW-UHFFFAOYSA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000899295659	620635655	/nfs/dbraw/zinc/63/56/55/620635655.db2.gz	PJTUYZDCFSUHEC-NWDGAFQWSA-N	-1	0	275.348	3.416	20	30		CGEDRM
CC(=Cc1ccsc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000336155496	212970951	/nfs/dbraw/zinc/97/09/51/212970951.db2.gz	KRCNGJDXCARTDQ-ALCCZGGFSA-N	-1	0	291.763	3.225	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000899295662	620635794	/nfs/dbraw/zinc/63/57/94/620635794.db2.gz	PJTUYZDCFSUHEC-RYUDHWBXSA-N	-1	0	275.348	3.416	20	30		CGEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)c1	ZINC000049514175	369405562	/nfs/dbraw/zinc/40/55/62/369405562.db2.gz	ZVNJUTLRYYGGAI-UHFFFAOYSA-N	-1	0	295.404	3.210	20	30		CGEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nc2ccccc2[nH]1	ZINC000073972275	369867925	/nfs/dbraw/zinc/86/79/25/369867925.db2.gz	MWCYZKSCNDZZQT-MRVPVSSYSA-N	-1	0	285.690	3.299	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c(F)c1	ZINC000075040214	369894073	/nfs/dbraw/zinc/89/40/73/369894073.db2.gz	HECYBWOPIJCWHV-LLVKDONJSA-N	-1	0	297.351	3.136	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)CC1CCCCCC1	ZINC000079149676	369965842	/nfs/dbraw/zinc/96/58/42/369965842.db2.gz	VZFNEEAFEDHBCN-UHFFFAOYSA-N	-1	0	261.387	3.042	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000132472585	371177419	/nfs/dbraw/zinc/17/74/19/371177419.db2.gz	WBCJLZIKSRGBBY-LBPRGKRZSA-N	-1	0	285.372	3.460	20	30		CGEDRM
C=CCN=c1[n-]nc(SC[C@H]2CCCC2(F)F)s1	ZINC000450606470	374164880	/nfs/dbraw/zinc/16/48/80/374164880.db2.gz	DWXOWAYWQISDJT-MRVPVSSYSA-N	-1	0	291.392	3.085	20	30		CGEDRM
CC(C)(C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000183360374	374406543	/nfs/dbraw/zinc/40/65/43/374406543.db2.gz	XBNBXKAQDFRCML-UHFFFAOYSA-N	-1	0	273.119	3.187	20	30		CGEDRM
CC1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CCCC1	ZINC000330624289	374486100	/nfs/dbraw/zinc/48/61/00/374486100.db2.gz	RBGDFESWNKWYPA-UHFFFAOYSA-N	-1	0	278.308	3.185	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCCCc3ccccc32)cc1[O-]	ZINC000188258675	375184805	/nfs/dbraw/zinc/18/48/05/375184805.db2.gz	OSUZKTCLMUNJGT-UHFFFAOYSA-N	-1	0	292.338	3.247	20	30		CGEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000188645747	375246489	/nfs/dbraw/zinc/24/64/89/375246489.db2.gz	BNYRRXGYLBQSPD-CQSZACIVSA-N	-1	0	283.755	3.213	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1[O-]	ZINC000188307704	375194078	/nfs/dbraw/zinc/19/40/78/375194078.db2.gz	IRVLMNZDXCBKDY-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCc3c2cccc3Cl)cc1[O-]	ZINC000188730061	375260296	/nfs/dbraw/zinc/26/02/96/375260296.db2.gz	OAAOPOLPYNWBHZ-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
Cc1oc(C#N)cc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000335873690	375504362	/nfs/dbraw/zinc/50/43/62/375504362.db2.gz	QFTAYDDGORSSTM-UHFFFAOYSA-N	-1	0	276.679	3.071	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000262109589	190048770	/nfs/dbraw/zinc/04/87/70/190048770.db2.gz	ILGNSKWDHPJPLQ-UHFFFAOYSA-N	-1	0	291.347	3.013	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C	ZINC000263153969	190066432	/nfs/dbraw/zinc/06/64/32/190066432.db2.gz	UYFPMGHXOKPAHI-SWLSCSKDSA-N	-1	0	289.375	3.148	20	30		CGEDRM
CC[C@H](C)[C@H](Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000263401615	377932863	/nfs/dbraw/zinc/93/28/63/377932863.db2.gz	JCFYNQGWNRJYSX-UFBFGSQYSA-N	-1	0	266.728	3.123	20	30		CGEDRM
C=CC(C)(C)CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000414092405	380189237	/nfs/dbraw/zinc/18/92/37/380189237.db2.gz	MTSYFBYWODIVSN-KRWDZBQOSA-N	-1	0	295.423	3.376	20	30		CGEDRM
CCCc1nc(=N[C@@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000419018855	380764202	/nfs/dbraw/zinc/76/42/02/380764202.db2.gz	UGQZCEIOKHMLKT-CQSZACIVSA-N	-1	0	298.415	3.274	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc(C2CC2)cs1	ZINC000647379446	392712640	/nfs/dbraw/zinc/71/26/40/392712640.db2.gz	KEAGFQTVBHXYNP-SNVBAGLBSA-N	-1	0	299.355	3.376	20	30		CGEDRM
C=CCOc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000190991559	392819520	/nfs/dbraw/zinc/81/95/20/392819520.db2.gz	FVEOOGAWSOBFKT-UHFFFAOYSA-N	-1	0	294.310	3.081	20	30		CGEDRM
CC(C)c1ccc2ncc(C#N)c(N(C)CCC(=O)[O-])c2c1	ZINC000416429940	393310955	/nfs/dbraw/zinc/31/09/55/393310955.db2.gz	YHQPNQXBKRIUEV-UHFFFAOYSA-N	-1	0	297.358	3.141	20	30		CGEDRM
C=CCC1(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CCC1	ZINC000649364608	393405833	/nfs/dbraw/zinc/40/58/33/393405833.db2.gz	DSSBWKHMYLAWHP-ZDUSSCGKSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)CC(C)(C)CC(=O)[O-])CCCC1(C)C	ZINC000668320968	543006076	/nfs/dbraw/zinc/00/60/76/543006076.db2.gz	LDMLQVYSRNMBMY-ZDUSSCGKSA-N	-1	0	295.423	3.471	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)oc(C)c2C)n1	ZINC000041516536	397611563	/nfs/dbraw/zinc/61/15/63/397611563.db2.gz	RNRDIVIYSFJYOS-LLVKDONJSA-N	-1	0	274.345	3.460	20	30		CGEDRM
N#Cc1csc(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000084390950	287081094	/nfs/dbraw/zinc/08/10/94/287081094.db2.gz	QHMILCQXFHPXLT-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=C(C)CN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000652430582	418966383	/nfs/dbraw/zinc/96/63/83/418966383.db2.gz	OQZGAZUOFZNBFB-LBPRGKRZSA-N	-1	0	271.719	3.113	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000659166310	418963645	/nfs/dbraw/zinc/96/36/45/418963645.db2.gz	JYKCVLGFPBGIAL-ZQDZILKHSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000653328665	419026818	/nfs/dbraw/zinc/02/68/18/419026818.db2.gz	LFJCRPVCVPAAQG-CQDKDKBSSA-N	-1	0	287.359	3.018	20	30		CGEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000076766687	260166716	/nfs/dbraw/zinc/16/67/16/260166716.db2.gz	LUMWZDYVEVWZLZ-UHFFFAOYSA-N	-1	0	293.388	3.011	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2ccccc2[O-])c1C	ZINC000156597727	261127295	/nfs/dbraw/zinc/12/72/95/261127295.db2.gz	XNXZTDBUUUTBNX-MDZDMXLPSA-N	-1	0	270.332	3.122	20	30		CGEDRM
C=CC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000111631939	262353779	/nfs/dbraw/zinc/35/37/79/262353779.db2.gz	KFVAKONPFCNAMY-UHFFFAOYSA-N	-1	0	265.740	3.084	20	30		CGEDRM
C=C(CN=c1[n-]nc(C(F)(F)F)s1)c1ccccc1	ZINC000340877791	263311337	/nfs/dbraw/zinc/31/13/37/263311337.db2.gz	OODKPFSTQPAACF-UHFFFAOYSA-N	-1	0	285.294	3.104	20	30		CGEDRM
N#Cc1cccc(CC(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000531157353	268278389	/nfs/dbraw/zinc/27/83/89/268278389.db2.gz	PMSFTWZXLBOWOF-UHFFFAOYSA-N	-1	0	286.718	3.098	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C	ZINC000192901383	277781710	/nfs/dbraw/zinc/78/17/10/277781710.db2.gz	ANCHUAHONALMJW-HIFRSBDPSA-N	-1	0	289.375	3.229	20	30		CGEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2cccc(F)c2C#N)n1	ZINC000565238984	322068614	/nfs/dbraw/zinc/06/86/14/322068614.db2.gz	SJIDDNBYRQTAHZ-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
C=CCC1(C(=O)Nc2cccc(Cl)c2[O-])CCOCC1	ZINC000424749471	330462018	/nfs/dbraw/zinc/46/20/18/330462018.db2.gz	JNPKWSONSUCFCY-UHFFFAOYSA-N	-1	0	295.766	3.357	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430623938	330569811	/nfs/dbraw/zinc/56/98/11/330569811.db2.gz	HLCTXSGMBXDMEO-SECBINFHSA-N	-1	0	289.360	3.227	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000185022216	333134681	/nfs/dbraw/zinc/13/46/81/333134681.db2.gz	KQMHRBZKTNXNGD-MRVPVSSYSA-N	-1	0	298.726	3.495	20	30		CGEDRM
CCC(CC)CN(CCC#N)C(=O)c1c([O-])cccc1F	ZINC000123334425	333467417	/nfs/dbraw/zinc/46/74/17/333467417.db2.gz	UTLGIIAGXRLZME-UHFFFAOYSA-N	-1	0	292.354	3.323	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1cccc(C(C)C)c1)C(=O)[O-]	ZINC000316403029	334820497	/nfs/dbraw/zinc/82/04/97/334820497.db2.gz	WXPWZOUMEYXHTG-AWEZNQCLSA-N	-1	0	290.363	3.351	20	30		CGEDRM
CCn1c(C)cc(C=NNc2cccc(C(=O)[O-])c2)c1C	ZINC000728224892	571796425	/nfs/dbraw/zinc/79/64/25/571796425.db2.gz	DAWJKFUZHBENBX-UHFFFAOYSA-N	-1	0	285.347	3.269	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1nccc2ccccc21	ZINC000740760374	571876136	/nfs/dbraw/zinc/87/61/36/571876136.db2.gz	BIDBZKBYXJIMGK-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
Cc1cccc2c1CCC2N=Nc1ccccc1C(=O)[O-]	ZINC000729143649	571877551	/nfs/dbraw/zinc/87/75/51/571877551.db2.gz	PVTINGWMJKHXBO-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
CC(C)(C(=O)[N-]OCc1ccc(C#N)cc1)c1ccccc1	ZINC000729263625	571893435	/nfs/dbraw/zinc/89/34/35/571893435.db2.gz	BLSXTEWNJYQEJP-UHFFFAOYSA-N	-1	0	294.354	3.084	20	30		CGEDRM
C#CCOc1ccc(CNc2ccc(NC(=O)[O-])cc2)cc1	ZINC000737494203	572347841	/nfs/dbraw/zinc/34/78/41/572347841.db2.gz	VKPYNIFRTKRPQQ-UHFFFAOYSA-N	-1	0	296.326	3.401	20	30		CGEDRM
CCNC(=S)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000730954788	572387581	/nfs/dbraw/zinc/38/75/81/572387581.db2.gz	KQIOQYDWRUMZGF-JTQLQIEISA-N	-1	0	279.434	3.245	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(CSCC(=O)[O-])c2)nc1	ZINC000739121059	572402900	/nfs/dbraw/zinc/40/29/00/572402900.db2.gz	KNQSTXLGZKCQEX-UHFFFAOYSA-N	-1	0	299.355	3.015	20	30		CGEDRM
Cc1cccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1	ZINC000733207390	572544170	/nfs/dbraw/zinc/54/41/70/572544170.db2.gz	XOHFHUOBPWQDTO-CMDGGOBGSA-N	-1	0	296.322	3.355	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cc(F)c(F)cc2F)cc1	ZINC000734302469	572641594	/nfs/dbraw/zinc/64/15/94/572641594.db2.gz	FGQNTBTXKAVASR-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
C#Cc1cccc(NC(=S)Nc2cccc(C(=O)[O-])c2)c1	ZINC000736095378	572768097	/nfs/dbraw/zinc/76/80/97/572768097.db2.gz	SUNUMAVTANRNLU-UHFFFAOYSA-N	-1	0	296.351	3.175	20	30		CGEDRM
CCC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(C#N)cc1	ZINC000737019703	572840031	/nfs/dbraw/zinc/84/00/31/572840031.db2.gz	JUAPLBNTYJFHMW-UHFFFAOYSA-N	-1	0	298.342	3.262	20	30		CGEDRM
Cc1cccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000748132229	572962211	/nfs/dbraw/zinc/96/22/11/572962211.db2.gz	RRTNOKIEXYKQQI-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
Cc1cccc(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000749853624	573048008	/nfs/dbraw/zinc/04/80/08/573048008.db2.gz	QUCYBVJAKJCMGU-UHFFFAOYSA-N	-1	0	262.259	3.425	20	30		CGEDRM
C=CCN(C(=O)Nc1sc(C)c(C)c1C(=O)[O-])C(C)C	ZINC000062828185	599879361	/nfs/dbraw/zinc/87/93/61/599879361.db2.gz	JZAXQODAUPYZNG-UHFFFAOYSA-N	-1	0	296.392	3.491	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000136003953	600274664	/nfs/dbraw/zinc/27/46/64/600274664.db2.gz	AGNCCPKOCJXANC-UHFFFAOYSA-N	-1	0	298.289	3.093	20	30		CGEDRM
COc1ccc([C@@H](CC(=O)[O-])/N=C/c2ccccc2O)cc1	ZINC000737947270	600494189	/nfs/dbraw/zinc/49/41/89/600494189.db2.gz	HPBCWLKDJYEQGH-CLXYIWAZSA-N	-1	0	299.326	3.036	20	30		CGEDRM
C#CCOc1cccc(N[C@H](C(=O)[O-])c2ccccc2F)c1	ZINC000825631339	600747611	/nfs/dbraw/zinc/74/76/11/600747611.db2.gz	BUXJFUSUYNWGDC-INIZCTEOSA-N	-1	0	299.301	3.076	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1OCc1occc1C(=O)[O-]	ZINC000088153245	601096210	/nfs/dbraw/zinc/09/62/10/601096210.db2.gz	HDEODSGPRXQMKW-UHFFFAOYSA-N	-1	0	271.272	3.045	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)[nH]1	ZINC000833093759	601331126	/nfs/dbraw/zinc/33/11/26/601331126.db2.gz	AEYIMMLZMTYDLM-CSKARUKUSA-N	-1	0	295.338	3.488	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CSc3ccccc3C2=O)[nH]1	ZINC000833311668	601331158	/nfs/dbraw/zinc/33/11/58/601331158.db2.gz	AAEDBAHFGVPUCU-VQHVLOKHSA-N	-1	0	285.324	3.085	20	30		CGEDRM
CCCCC[C@@H](/N=C\c1cc(OCC)ccc1O)C(=O)[O-]	ZINC000829311689	601365457	/nfs/dbraw/zinc/36/54/57/601365457.db2.gz	IOWWZLGUARAITB-RQNDZEIBSA-N	-1	0	293.363	3.243	20	30		CGEDRM
C=CCCCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000825671556	601443099	/nfs/dbraw/zinc/44/30/99/601443099.db2.gz	SWXOMOSCQBXUGY-UHFFFAOYSA-N	-1	0	296.392	3.434	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(Cl)s2)c[nH]1	ZINC000833297174	601791486	/nfs/dbraw/zinc/79/14/86/601791486.db2.gz	BXQVAUHAMZBVPT-UPHRSURJSA-N	-1	0	281.720	3.324	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1ccccc1C(=O)[O-]	ZINC000825664530	602179562	/nfs/dbraw/zinc/17/95/62/602179562.db2.gz	CTGLWRNTOKOTHB-UHFFFAOYSA-N	-1	0	260.289	3.059	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1cc(C(=O)[O-])c(C)o1	ZINC000825664857	602185180	/nfs/dbraw/zinc/18/51/80/602185180.db2.gz	OHSDKITXITXRHK-UHFFFAOYSA-N	-1	0	278.304	3.098	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000825664996	602283592	/nfs/dbraw/zinc/28/35/92/602283592.db2.gz	SGYBFSNESNHUMV-AWEZNQCLSA-N	-1	0	292.306	3.263	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1c(OC)cccc1C(=O)[O-]	ZINC000825664498	602294359	/nfs/dbraw/zinc/29/43/59/602294359.db2.gz	BYDZRCHYATUACI-UHFFFAOYSA-N	-1	0	290.315	3.067	20	30		CGEDRM
Cc1cc(COc2cc(Cl)ccc2C#N)oc1C(=O)[O-]	ZINC000128911553	602309054	/nfs/dbraw/zinc/30/90/54/602309054.db2.gz	GJOZYGOUHVDEQM-UHFFFAOYSA-N	-1	0	291.690	3.390	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1	ZINC000823475375	603272819	/nfs/dbraw/zinc/27/28/19/603272819.db2.gz	XLLARWNYPWWMMB-UHFFFAOYSA-N	-1	0	294.310	3.319	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1	ZINC000833309977	604627985	/nfs/dbraw/zinc/62/79/85/604627985.db2.gz	KHDNFZXCQCGOOM-CMDGGOBGSA-N	-1	0	296.278	3.010	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1ccccc1C(=O)[O-]	ZINC000833430949	604632946	/nfs/dbraw/zinc/63/29/46/604632946.db2.gz	XWYZIZLDVPSCDZ-UHFFFAOYSA-N	-1	0	274.364	3.147	20	30		CGEDRM
CC(N=Nc1ccc(F)cn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814842438	604640710	/nfs/dbraw/zinc/64/07/10/604640710.db2.gz	HZFKUWIJMIHSMI-JTQLQIEISA-N	-1	0	281.331	3.290	20	30		CGEDRM
CC(=NNc1ccc(Cl)nc1)c1ccc(C(=O)[O-])cc1	ZINC000825809117	604641513	/nfs/dbraw/zinc/64/15/13/604641513.db2.gz	NUVIFTUQUNEOLG-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
CC1(C)CCC(CN=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763367417	604667827	/nfs/dbraw/zinc/66/78/27/604667827.db2.gz	DDPWLXUBLXXHNB-UHFFFAOYSA-N	-1	0	275.352	3.394	20	30		CGEDRM
C[C@@H]1CC(C)(C)CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371935	604669271	/nfs/dbraw/zinc/66/92/71/604669271.db2.gz	MVOKZDDNFCRTGL-SNVBAGLBSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(C)(C)C1=CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000833426236	604769076	/nfs/dbraw/zinc/76/90/76/604769076.db2.gz	IQFWCBDHIAMXII-MRXNPFEDSA-N	-1	0	298.386	3.362	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000833072199	604772327	/nfs/dbraw/zinc/77/23/27/604772327.db2.gz	LLXMIENSEYUPKX-FPLPWBNLSA-N	-1	0	295.269	3.292	20	30		CGEDRM
N#Cc1c(Cl)nsc1Nc1cccc(CC(=O)[O-])c1	ZINC000821324346	604832008	/nfs/dbraw/zinc/83/20/08/604832008.db2.gz	BDSVIIGCFCTJGK-UHFFFAOYSA-N	-1	0	293.735	3.039	20	30		CGEDRM
C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21	ZINC000828410390	604961117	/nfs/dbraw/zinc/96/11/17/604961117.db2.gz	AXCAOYASADYQQR-YVEFUNNKSA-N	-1	0	292.338	3.308	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(NC(=O)[O-])cc2)s1	ZINC000831126804	605243178	/nfs/dbraw/zinc/24/31/78/605243178.db2.gz	RWAJMZMXGFJWSR-UHFFFAOYSA-N	-1	0	273.317	3.322	20	30		CGEDRM
Cc1cc(C(=O)Oc2ccc(C#N)cc2)ccc1NC(=O)[O-]	ZINC000829979669	605568538	/nfs/dbraw/zinc/56/85/38/605568538.db2.gz	HBDIFULBUWCBQQ-UHFFFAOYSA-N	-1	0	296.282	3.176	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000833362066	605602874	/nfs/dbraw/zinc/60/28/74/605602874.db2.gz	XUACFWJROLSYSG-UHFFFAOYSA-N	-1	0	287.359	3.226	20	30		CGEDRM
C#CCCCCCC(=O)OCc1cc(C(=O)[O-])sc1C	ZINC000833361659	605672637	/nfs/dbraw/zinc/67/26/37/605672637.db2.gz	GHLKYTVAMFFVKC-UHFFFAOYSA-N	-1	0	294.372	3.382	20	30		CGEDRM
O=C([O-])N[C@@H]1CCCCCC1N=Nc1ccc(Cl)nc1	ZINC000834184175	606080363	/nfs/dbraw/zinc/08/03/63/606080363.db2.gz	NJEFADROBVJQSM-SNVBAGLBSA-N	-1	0	296.758	3.103	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899830553	620731229	/nfs/dbraw/zinc/73/12/29/620731229.db2.gz	KQRQMOVBJFLJRF-LSDHHAIUSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)c1ccc(OCCCC)cc1O	ZINC000890552784	617638089	/nfs/dbraw/zinc/63/80/89/617638089.db2.gz	REHDYPRASDACCY-ZDUSSCGKSA-N	-1	0	289.375	3.362	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)s1	ZINC000255100804	617921977	/nfs/dbraw/zinc/92/19/77/617921977.db2.gz	LILVQWWGVDXWHK-CLTKARDFSA-N	-1	0	283.308	3.214	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)CSCc1ccc(Cl)cc1	ZINC000846542106	618090621	/nfs/dbraw/zinc/09/06/21/618090621.db2.gz	UQKYIUBJAKANSR-SNVBAGLBSA-N	-1	0	285.796	3.196	20	30		CGEDRM
C=CCOCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000160756258	618142775	/nfs/dbraw/zinc/14/27/75/618142775.db2.gz	LHNDJNJDIDVGIO-UHFFFAOYSA-N	-1	0	292.360	3.038	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1cccc(F)c1C)C(=O)[O-]	ZINC000900328989	620781242	/nfs/dbraw/zinc/78/12/42/620781242.db2.gz	ZPCZISWWOOQEGQ-ZDUSSCGKSA-N	-1	0	294.326	3.065	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1	ZINC000900355272	620781618	/nfs/dbraw/zinc/78/16/18/620781618.db2.gz	JWVFBZYKLZAVLU-MRXNPFEDSA-N	-1	0	288.347	3.095	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(CC)C(C)(C)C(=O)[O-])c1	ZINC000900355936	620782326	/nfs/dbraw/zinc/78/23/26/620782326.db2.gz	WHCZJGOFQBKPDL-UHFFFAOYSA-N	-1	0	290.363	3.437	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1	ZINC000900356008	620782529	/nfs/dbraw/zinc/78/25/29/620782529.db2.gz	YJKMUABTYCNOJG-NSHDSACASA-N	-1	0	288.347	3.189	20	30		CGEDRM
CCn1nc(C)c(/C=C\C(=O)c2ccc(C)cc2[O-])c1C	ZINC000255441296	618500498	/nfs/dbraw/zinc/50/04/98/618500498.db2.gz	UXQXZPBYVCLBOQ-HJWRWDBZSA-N	-1	0	284.359	3.430	20	30		CGEDRM
Cc1ccc(F)c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255506607	618620806	/nfs/dbraw/zinc/62/08/06/618620806.db2.gz	QQKCZDCKHOBHPY-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)s1	ZINC000255567984	618688485	/nfs/dbraw/zinc/68/84/85/618688485.db2.gz	NRAAQISMHJGYQI-XQRVVYSFSA-N	-1	0	273.288	3.361	20	30		CGEDRM
COCc1cccc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC000176953477	618769356	/nfs/dbraw/zinc/76/93/56/618769356.db2.gz	OEUYHTPZDVBQTK-MDZDMXLPSA-N	-1	0	268.312	3.435	20	30		CGEDRM
CC1(C)CCC/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000255873435	618832536	/nfs/dbraw/zinc/83/25/36/618832536.db2.gz	POIFWZMPXASPHG-DHZHZOJOSA-N	-1	0	275.304	3.463	20	30		CGEDRM
CCc1nn(C)cc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000092208797	618910442	/nfs/dbraw/zinc/91/04/42/618910442.db2.gz	UTVLVDNFVMUVRY-GQCTYLIASA-N	-1	0	290.750	3.238	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C	ZINC000909369124	619188360	/nfs/dbraw/zinc/18/83/60/619188360.db2.gz	ACOGLSIZZAGKED-AWEZNQCLSA-N	-1	0	289.375	3.229	20	30		CGEDRM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)s1	ZINC000254843913	619397934	/nfs/dbraw/zinc/39/79/34/619397934.db2.gz	CFPHADXBYSDMLD-UHFFFAOYSA-N	-1	0	290.373	3.453	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814753096	619422844	/nfs/dbraw/zinc/42/28/44/619422844.db2.gz	FPRNQDGYVZIHSB-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518908	619503254	/nfs/dbraw/zinc/50/32/54/619503254.db2.gz	ZUVADAOTLBIRHM-SNVBAGLBSA-N	-1	0	299.779	3.342	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000793164751	619701251	/nfs/dbraw/zinc/70/12/51/619701251.db2.gz	XWPDQODIQMYOQM-VIFPVBQESA-N	-1	0	266.297	3.087	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000078264421	620385293	/nfs/dbraw/zinc/38/52/93/620385293.db2.gz	LHAADTVBJVRIFC-LLVKDONJSA-N	-1	0	269.366	3.076	20	30		CGEDRM
CS[C@@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2)C1	ZINC000901122493	620834035	/nfs/dbraw/zinc/83/40/35/620834035.db2.gz	DGVZDFOHJWKEDV-CYBMUJFWSA-N	-1	0	278.377	3.458	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cncn2C(C)C)cc(O)c1O	ZINC000901522682	620913159	/nfs/dbraw/zinc/91/31/59/620913159.db2.gz	MUIXWJJBNUMGBT-SNAWJCMRSA-N	-1	0	286.331	3.080	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC000902280113	621223183	/nfs/dbraw/zinc/22/31/83/621223183.db2.gz	OORYKPBCJZGRIP-VOTSOKGWSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000907443738	622297101	/nfs/dbraw/zinc/29/71/01/622297101.db2.gz	GBPAUZMXOCUWBZ-ZANVPECISA-N	-1	0	299.729	3.104	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000909724946	622419733	/nfs/dbraw/zinc/41/97/33/622419733.db2.gz	KZNUEMDCVQUZPP-NVPAJSRCSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	ZINC000910503445	622491306	/nfs/dbraw/zinc/49/13/06/622491306.db2.gz	BXOZMRPKUDHBAN-UHFFFAOYSA-N	-1	0	283.412	3.184	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1sccc1C(C)C)C(=O)[O-]	ZINC000910915140	622508297	/nfs/dbraw/zinc/50/82/97/622508297.db2.gz	VICRCBLWHQIMQR-LBPRGKRZSA-N	-1	0	295.404	3.411	20	30		CGEDRM
CCCCCCCC(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC000911659405	622541174	/nfs/dbraw/zinc/54/11/74/622541174.db2.gz	KTGYKNZEHOWPSI-CQSZACIVSA-N	-1	0	292.379	3.074	20	30		CGEDRM
Cc1ccc2ncc(/C=C/C(=O)c3cc(F)ccc3[O-])n2c1	ZINC000151446069	622784268	/nfs/dbraw/zinc/78/42/68/622784268.db2.gz	NICVJPJSSLKWPW-GQCTYLIASA-N	-1	0	296.301	3.384	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2ccc(F)cc2[O-])c1	ZINC000156722117	622841227	/nfs/dbraw/zinc/84/12/27/622841227.db2.gz	LATCPBLWGFAKPI-QPJJXVBHSA-N	-1	0	267.259	3.299	20	30		CGEDRM
CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1	ZINC000156721653	622841305	/nfs/dbraw/zinc/84/13/05/622841305.db2.gz	JZFZPQZIHMXXDW-RUDMXATFSA-N	-1	0	299.301	3.386	20	30		CGEDRM
CCc1ccccc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000915051288	623890342	/nfs/dbraw/zinc/89/03/42/623890342.db2.gz	CGSHSJPNGXFVOC-UHFFFAOYSA-N	-1	0	268.316	3.393	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2ccsc2)cc1	ZINC000915106477	623895936	/nfs/dbraw/zinc/89/59/36/623895936.db2.gz	SQKOEEBWNYXERC-ZZXKWVIFSA-N	-1	0	272.325	3.271	20	30		CGEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C#N)cc1	ZINC000915112643	623897966	/nfs/dbraw/zinc/89/79/66/623897966.db2.gz	BQGLWEBDUBIKQL-IPHDDYSGSA-N	-1	0	295.298	3.352	20	30		CGEDRM
Cc1cc(C#N)ccc1C(=O)Nc1ccc(O)c(Cl)c1	ZINC000153641606	624008073	/nfs/dbraw/zinc/00/80/73/624008073.db2.gz	WUCGGXZQJJMRAD-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CC(=NOCc1ccccc1)c1ccc(CC(=O)[O-])cc1	ZINC000915959386	624080001	/nfs/dbraw/zinc/08/00/01/624080001.db2.gz	CQEJEXCUOUWABU-UHFFFAOYSA-N	-1	0	283.327	3.255	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F	ZINC000916240529	624124373	/nfs/dbraw/zinc/12/43/73/624124373.db2.gz	GAVUHIMKSWFURA-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CCOC(=O)[C@@H](C)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000920173727	624454156	/nfs/dbraw/zinc/45/41/56/624454156.db2.gz	VSKVQIPFHXFRCP-YBNGVGCVSA-N	-1	0	290.146	3.070	20	30		CGEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccc(F)cc1	ZINC000179742891	624681358	/nfs/dbraw/zinc/68/13/58/624681358.db2.gz	XCGMUKGQLJITRV-UHFFFAOYSA-N	-1	0	298.317	3.319	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc3c2CCC3)c1	ZINC000179733042	624681706	/nfs/dbraw/zinc/68/17/06/624681706.db2.gz	MHPRMMMBYVJFCF-UHFFFAOYSA-N	-1	0	278.311	3.005	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/C2CCCCC2)c1	ZINC000179740980	624681747	/nfs/dbraw/zinc/68/17/47/624681747.db2.gz	CWZLGEYNVDOXIX-VQHVLOKHSA-N	-1	0	270.332	3.339	20	30		CGEDRM
Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1C(=O)[O-]	ZINC000923055876	626126648	/nfs/dbraw/zinc/12/66/48/626126648.db2.gz	HENWHWUSDOUJQM-KRWDZBQOSA-N	-1	0	298.342	3.106	20	30		CGEDRM
Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1C(=O)[O-]	ZINC000923055877	626126913	/nfs/dbraw/zinc/12/69/13/626126913.db2.gz	HENWHWUSDOUJQM-QGZVFWFLSA-N	-1	0	298.342	3.106	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H]2CCCc3ccccc32)n1	ZINC000752158478	626420531	/nfs/dbraw/zinc/42/05/31/626420531.db2.gz	ZEGZLTULDAARCN-ZDUSSCGKSA-N	-1	0	282.347	3.008	20	30		CGEDRM
Cc1cc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])ncn1	ZINC000756841510	626736675	/nfs/dbraw/zinc/73/66/75/626736675.db2.gz	ZIFHDOGCYHDDJA-FZSIALSZSA-N	-1	0	296.157	3.417	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(F)cc(Cl)c2)c1	ZINC000757386661	626773260	/nfs/dbraw/zinc/77/32/60/626773260.db2.gz	BKJQAQMVKWEKIX-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
Cc1cc([N+](=O)[O-])ccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000758071626	626825775	/nfs/dbraw/zinc/82/57/75/626825775.db2.gz	ODKMPFGQDSLFBR-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOCC(F)F	ZINC000758902719	626865124	/nfs/dbraw/zinc/86/51/24/626865124.db2.gz	JBAWGZGMXJMAKA-UHFFFAOYSA-N	-1	0	270.062	3.315	20	30		CGEDRM
CC[C@H](Nc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759714182	626917600	/nfs/dbraw/zinc/91/76/00/626917600.db2.gz	XDXCVRJTHBUNGY-AWEZNQCLSA-N	-1	0	295.342	3.093	20	30		CGEDRM
CCC1(CC)C(N=Nc2cccc(C(=O)[O-])c2)C[C@H]1OC	ZINC000762603069	627117186	/nfs/dbraw/zinc/11/71/86/627117186.db2.gz	KIVSHHGCUDRPME-CQSZACIVSA-N	-1	0	290.363	3.378	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC(C(F)(F)F)CC2)n1	ZINC000766008248	627286697	/nfs/dbraw/zinc/28/66/97/627286697.db2.gz	DWEDDMWESWVBIA-UHFFFAOYSA-N	-1	0	288.273	3.011	20	30		CGEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)c(C)o1	ZINC000767893398	627441600	/nfs/dbraw/zinc/44/16/00/627441600.db2.gz	OXJNAKYISFUKTO-UHFFFAOYSA-N	-1	0	258.277	3.041	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=Nn1cnc2ccccc21	ZINC000768356119	627475617	/nfs/dbraw/zinc/47/56/17/627475617.db2.gz	VPNRYMYHTBZPMK-UHFFFAOYSA-N	-1	0	289.697	3.417	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCc2cccs2)c1	ZINC000769548165	627565260	/nfs/dbraw/zinc/56/52/60/627565260.db2.gz	GSTCQPIZHMUEOP-GDNBJRDFSA-N	-1	0	290.344	3.414	20	30		CGEDRM
COc1ccc(NN=C(C)c2sccc2[O-])cc1	ZINC000769800234	627579342	/nfs/dbraw/zinc/57/93/42/627579342.db2.gz	UNPAIJWDFDLQAP-UHFFFAOYSA-N	-1	0	262.334	3.298	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CC23CCCCC3)c1	ZINC000770568784	627626719	/nfs/dbraw/zinc/62/67/19/627626719.db2.gz	NKWHVEQYQRNOCX-KWZJRMENSA-N	-1	0	274.320	3.442	20	30		CGEDRM
N#Cc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1F	ZINC000770572290	627627260	/nfs/dbraw/zinc/62/72/60/627627260.db2.gz	NTTXGGPPLRWNCR-GORDUTHDSA-N	-1	0	283.258	3.005	20	30		CGEDRM
CC(C)CN(CCC#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000772150651	627768124	/nfs/dbraw/zinc/76/81/24/627768124.db2.gz	FHOXVZYIFMRKRG-UHFFFAOYSA-N	-1	0	298.745	3.197	20	30		CGEDRM
CCC(CC)CNN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000774470480	627994854	/nfs/dbraw/zinc/99/48/54/627994854.db2.gz	IRRDLCMMTQUTNK-UHFFFAOYSA-N	-1	0	282.771	3.398	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC000775648821	628119142	/nfs/dbraw/zinc/11/91/42/628119142.db2.gz	YQKMWRBQCJQRRH-UHFFFAOYSA-N	-1	0	271.703	3.279	20	30		CGEDRM
CCN(Cc1cc(Cl)cc(F)c1[O-])C[C@H](C)C#N	ZINC000775655786	628120447	/nfs/dbraw/zinc/12/04/47/628120447.db2.gz	LHNZHQZODJUEHS-SECBINFHSA-N	-1	0	270.735	3.166	20	30		CGEDRM
C#CCN(C(=O)c1cccc(Cl)c1[O-])C1CCCCC1	ZINC000775678456	628124646	/nfs/dbraw/zinc/12/46/46/628124646.db2.gz	ZTABNWLCYVEDGE-UHFFFAOYSA-N	-1	0	291.778	3.454	20	30		CGEDRM
COC[C@@H](C)C(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000777879707	628306931	/nfs/dbraw/zinc/30/69/31/628306931.db2.gz	VJRFUBNBHDIBPZ-MRVPVSSYSA-N	-1	0	284.743	3.109	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2CCC=CO2)c1[O-]	ZINC000780150905	628457927	/nfs/dbraw/zinc/45/79/27/628457927.db2.gz	ZKINHEGZVWNRJX-LBMJDHPKSA-N	-1	0	296.710	3.065	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000783798310	628748282	/nfs/dbraw/zinc/74/82/82/628748282.db2.gz	FMJJIHKDXVGNAW-HTQZYQBOSA-N	-1	0	292.330	3.246	20	30		CGEDRM
N#Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2Cl)cc1	ZINC000783825277	628749233	/nfs/dbraw/zinc/74/92/33/628749233.db2.gz	BQPHITNDSSGKON-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
N#Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000783881109	628755178	/nfs/dbraw/zinc/75/51/78/628755178.db2.gz	QPJDKKILWJHOIA-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cnccc2C)n1	ZINC000784819008	628834238	/nfs/dbraw/zinc/83/42/38/628834238.db2.gz	GVBNXXRAUMCMCB-SCOBNMCVSA-N	-1	0	283.356	3.045	20	30		CGEDRM
CCCCCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000862358116	629349758	/nfs/dbraw/zinc/34/97/58/629349758.db2.gz	UYASMLRMILSLGS-UHFFFAOYSA-N	-1	0	280.324	3.001	20	30		CGEDRM
CC[C@H](NN=C1C[C@@H](C)C[C@H](c2ccccc2)C1)C(=O)[O-]	ZINC000793056596	629406611	/nfs/dbraw/zinc/40/66/11/629406611.db2.gz	HIITWTDJCHBKFP-NOLJZWGESA-N	-1	0	288.391	3.399	20	30		CGEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cccc(C(C)C)c1	ZINC000863081783	629469445	/nfs/dbraw/zinc/46/94/45/629469445.db2.gz	XATBJZHQRAQSCQ-UHFFFAOYSA-N	-1	0	294.362	3.312	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000864159982	629787670	/nfs/dbraw/zinc/78/76/70/629787670.db2.gz	DFIDHWGBHDFXMS-UHFFFAOYSA-N	-1	0	295.766	3.370	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC000864176346	629790903	/nfs/dbraw/zinc/79/09/03/629790903.db2.gz	QWBFDDKRSCNUCZ-QLFBSQMISA-N	-1	0	295.423	3.449	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@H]2CCCS2)c1	ZINC000864347009	629815771	/nfs/dbraw/zinc/81/57/71/629815771.db2.gz	IJPSCBDUWGUIJK-ZMTLZGASSA-N	-1	0	280.349	3.005	20	30		CGEDRM
N#CC1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1	ZINC000807839890	630600483	/nfs/dbraw/zinc/60/04/83/630600483.db2.gz	TYEYSXAIPUWZKH-UHFFFAOYSA-N	-1	0	299.157	3.009	20	30		CGEDRM
COc1cccc(C(C)N=Nc2ccccc2C(=O)[O-])c1	ZINC000812442196	631261812	/nfs/dbraw/zinc/26/18/12/631261812.db2.gz	SXZLDBFENWUXGE-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cccc(O)c2Cl)c1	ZINC000814687696	631623827	/nfs/dbraw/zinc/62/38/27/631623827.db2.gz	RKZQPEMEBOYXRI-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
C[C@H]1C(N=Nc2ccccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814790473	631639570	/nfs/dbraw/zinc/63/95/70/631639570.db2.gz	UKRAODJODUTSFK-NXEZZACHSA-N	-1	0	264.300	3.114	20	30		CGEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2ccccc2F)C1	ZINC000814790408	631639835	/nfs/dbraw/zinc/63/98/35/631639835.db2.gz	STXZOQFKIHCLCZ-UHFFFAOYSA-N	-1	0	298.317	3.410	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)cn2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814842457	631653684	/nfs/dbraw/zinc/65/36/84/631653684.db2.gz	ISLPZRRYFIYRMY-KOLCDFICSA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@H]1C(N=NCc2cccc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814867815	631659432	/nfs/dbraw/zinc/65/94/32/631659432.db2.gz	OTOTXQOMHHSJHZ-ZYHUDNBSSA-N	-1	0	294.782	3.306	20	30		CGEDRM
Cc1cc(Cl)cc(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000814890739	631666522	/nfs/dbraw/zinc/66/65/22/631666522.db2.gz	XCIJFEFMALTNPU-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
CC[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000814889796	631667025	/nfs/dbraw/zinc/66/70/25/631667025.db2.gz	SLYZFHHOMBRMHJ-LBPRGKRZSA-N	-1	0	283.331	3.371	20	30		CGEDRM
C[C@H]1C(=NOCc2ccc(F)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814903488	631673472	/nfs/dbraw/zinc/67/34/72/631673472.db2.gz	LSYCNDGUGDAYAQ-ZYHUDNBSSA-N	-1	0	279.311	3.219	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000814923177	631683646	/nfs/dbraw/zinc/68/36/46/631683646.db2.gz	AMGSLHLXOZFCBM-RISCZKNCSA-N	-1	0	291.347	3.089	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000820495479	632637979	/nfs/dbraw/zinc/63/79/79/632637979.db2.gz	RXMSHUIIXLTIKE-NSHDSACASA-N	-1	0	285.347	3.323	20	30		CGEDRM
C#CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000823580345	633122473	/nfs/dbraw/zinc/12/24/73/633122473.db2.gz	QEKKTSLZWGPZBY-UHFFFAOYSA-N	-1	0	298.169	3.184	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000121185642	633232637	/nfs/dbraw/zinc/23/26/37/633232637.db2.gz	VBXJVHKVPNMERU-FNORWQNLSA-N	-1	0	267.259	3.299	20	30		CGEDRM
C=C[C@H](C)ON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000844620661	635943836	/nfs/dbraw/zinc/94/38/36/635943836.db2.gz	NVZGFPIZQRBAPU-HBNTYKKESA-N	-1	0	253.342	3.090	20	30		CGEDRM
C[C@H](C#N)N(C(=O)c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000825105274	633329372	/nfs/dbraw/zinc/32/93/72/633329372.db2.gz	LZGIUTKEGGYINF-SSDOTTSWSA-N	-1	0	299.157	3.216	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](c1cccnc1)C1CCCCC1	ZINC000869153563	633409330	/nfs/dbraw/zinc/40/93/30/633409330.db2.gz	CYMBDERMUHWTGX-CJNGLKHVSA-N	-1	0	288.391	3.368	20	30		CGEDRM
C[C@@]1(CC(=O)Nc2cc(C#N)ccc2[O-])CC1(Cl)Cl	ZINC000826603660	633422097	/nfs/dbraw/zinc/42/20/97/633422097.db2.gz	JNEVFYVSEWMVNW-GFCCVEGCSA-N	-1	0	299.157	3.176	20	30		CGEDRM
N#CCC1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000826991007	633447272	/nfs/dbraw/zinc/44/72/72/633447272.db2.gz	RDUMANPMVYDIOD-UHFFFAOYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
CC(C)C#CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000831504424	633968091	/nfs/dbraw/zinc/96/80/91/633968091.db2.gz	PABXVHAVJDZCBD-UHFFFAOYSA-N	-1	0	272.131	3.297	20	30		CGEDRM
C=CCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833374896	634118373	/nfs/dbraw/zinc/11/83/73/634118373.db2.gz	LYTOEEMPYQQBJP-UHFFFAOYSA-N	-1	0	295.338	3.147	20	30		CGEDRM
C[C@H]1CC(N=NC2CCC(C)(C)CC2)CC[C@@H]1C(=O)[O-]	ZINC000872395334	634130351	/nfs/dbraw/zinc/13/03/51/634130351.db2.gz	IOWMDTCMPIFYIR-FZMZJTMJSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])nc1	ZINC000835006964	634311821	/nfs/dbraw/zinc/31/18/21/634311821.db2.gz	MXKHHDIBNOTRBI-GHMZBOCLSA-N	-1	0	261.325	3.004	20	30		CGEDRM
N#CC(=C([O-])C=C[C@@H]1CCOC1)c1nc2ccccc2s1	ZINC000835040086	634329257	/nfs/dbraw/zinc/32/92/57/634329257.db2.gz	NZAUILNTPHFVIF-IEVRTODYSA-N	-1	0	298.367	3.065	20	30		CGEDRM
CO[C@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)CC(C)C	ZINC000841605291	635194909	/nfs/dbraw/zinc/19/49/09/635194909.db2.gz	ZGFKELVLFXEJAA-NSHDSACASA-N	-1	0	298.770	3.497	20	30		CGEDRM
C=C[C@H](C)ON=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000844620082	635943373	/nfs/dbraw/zinc/94/33/73/635943373.db2.gz	HJAZUAJGPABAFM-ZDUSSCGKSA-N	-1	0	291.347	3.050	20	30		CGEDRM
C=C[C@H](C)ON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000844620659	635943871	/nfs/dbraw/zinc/94/38/71/635943871.db2.gz	NVZGFPIZQRBAPU-DCAQKATOSA-N	-1	0	253.342	3.090	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000844622947	635944585	/nfs/dbraw/zinc/94/45/85/635944585.db2.gz	JKTALEQCCTWEGP-GFCCVEGCSA-N	-1	0	276.336	3.050	20	30		CGEDRM
Cc1c(NNC=CC(F)(F)F)cccc1C(=O)[O-]	ZINC000844623061	635944752	/nfs/dbraw/zinc/94/47/52/635944752.db2.gz	JYABIQABPPYJOL-UHFFFAOYSA-N	-1	0	260.215	3.043	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(F)cc2)CCCC1	ZINC000846536965	636195349	/nfs/dbraw/zinc/19/53/49/636195349.db2.gz	CXPSKGIBWAVJMA-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccccc2)cs1	ZINC000106586796	636273180	/nfs/dbraw/zinc/27/31/80/636273180.db2.gz	NOIJQYMJLXNXRE-VOTSOKGWSA-N	-1	0	258.298	3.342	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCC[C@@H]2CCF)cc1	ZINC000848414328	636570490	/nfs/dbraw/zinc/57/04/90/636570490.db2.gz	LYHAZONZAZYNGY-GFCCVEGCSA-N	-1	0	278.327	3.241	20	30		CGEDRM
CC(C)C[C@@H](C)CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415155	636571229	/nfs/dbraw/zinc/57/12/29/636571229.db2.gz	YAJGNFAOJQLEPI-GFCCVEGCSA-N	-1	0	262.353	3.394	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2	ZINC000108145266	636720961	/nfs/dbraw/zinc/72/09/61/636720961.db2.gz	IUPATUNSTIXEHP-QPEQYQDCSA-N	-1	0	295.294	3.431	20	30		CGEDRM
CSCC1(CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000849169635	636762534	/nfs/dbraw/zinc/76/25/34/636762534.db2.gz	FHNGCLKKGHRQCW-DHDCSXOGSA-N	-1	0	294.376	3.253	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000849247664	636779944	/nfs/dbraw/zinc/77/99/44/636779944.db2.gz	VOCSMQQEOYDERU-ALCCZGGFSA-N	-1	0	286.306	3.038	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1C#N	ZINC000132650688	636827244	/nfs/dbraw/zinc/82/72/44/636827244.db2.gz	CROPPRZLKNGOSB-GORDUTHDSA-N	-1	0	297.285	3.308	20	30		CGEDRM
CC(=NOCC1CC1)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853351881	637820934	/nfs/dbraw/zinc/82/09/34/637820934.db2.gz	YBUULDOWBYNJPC-UHFFFAOYSA-N	-1	0	291.347	3.323	20	30		CGEDRM
COC1(C(C)N=Nc2cccc(C(=O)[O-])c2C)CCC1	ZINC000853370399	637826794	/nfs/dbraw/zinc/82/67/94/637826794.db2.gz	MFFSPYNLTKWMIU-UHFFFAOYSA-N	-1	0	276.336	3.050	20	30		CGEDRM
CC(=NOCC1CCC1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000853440801	637844761	/nfs/dbraw/zinc/84/47/61/637844761.db2.gz	JCOFTDYKFSUPBM-GFCCVEGCSA-N	-1	0	291.347	3.079	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](CCC)c1ccc(Cl)cc1	ZINC000854853086	638112726	/nfs/dbraw/zinc/11/27/26/638112726.db2.gz	WNSYXMYZKZUGKT-ZDUSSCGKSA-N	-1	0	267.756	3.458	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000113651316	638217968	/nfs/dbraw/zinc/21/79/68/638217968.db2.gz	JYIAYRYOGSQYBV-QWHCGFSZSA-N	-1	0	269.385	3.107	20	30		CGEDRM
COc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000034847040	638874898	/nfs/dbraw/zinc/87/48/98/638874898.db2.gz	SJDQYBNZACZDGI-YFHOEESVSA-N	-1	0	282.295	3.290	20	30		CGEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1CCCC1	ZINC000042320453	639915088	/nfs/dbraw/zinc/91/50/88/639915088.db2.gz	KSLVQPTVJOSAMA-ZHACJKMWSA-N	-1	0	279.361	3.134	20	30		CGEDRM
CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000049003758	640078969	/nfs/dbraw/zinc/07/89/69/640078969.db2.gz	QWQOVJBLNXCQCL-UHFFFAOYSA-N	-1	0	295.385	3.004	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C1CCCCCCC1	ZINC000076761807	640212538	/nfs/dbraw/zinc/21/25/38/640212538.db2.gz	ZQKWJWQXNFLMQP-UHFFFAOYSA-N	-1	0	275.414	3.433	20	30		CGEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CCCC1CCCC1	ZINC000076910530	640224034	/nfs/dbraw/zinc/22/40/34/640224034.db2.gz	HSPFOCQJRNBXMG-UHFFFAOYSA-N	-1	0	275.414	3.289	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000194589170	640542995	/nfs/dbraw/zinc/54/29/95/640542995.db2.gz	QRGPWOFOHAKDCQ-AATRIKPKSA-N	-1	0	285.249	3.438	20	30		CGEDRM
Oc1ccc(Cl)cc1/C=N/C1CCSCC1	ZINC000194640383	640544845	/nfs/dbraw/zinc/54/48/45/640544845.db2.gz	BXTNVNCJWZIAPM-RIYZIHGNSA-N	-1	0	255.770	3.360	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1Cl	ZINC000088817650	640625777	/nfs/dbraw/zinc/62/57/77/640625777.db2.gz	MBVDNPDHCKIONN-UHFFFAOYSA-N	-1	0	299.779	3.404	20	30		CGEDRM
S=c1[n-]nc(-c2ccco2)n1N=CC=Cc1ccco1	ZINC000254833306	640915717	/nfs/dbraw/zinc/91/57/17/640915717.db2.gz	GFBXSWZKKQOHQG-YHHAPTPFSA-N	-1	0	286.316	3.341	20	30		CGEDRM
COc1ccc(-c2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC001250636973	805742104	/nfs/dbraw/zinc/74/21/04/805742104.db2.gz	ZIMIXUQLNDEQPV-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(F)c2F)ccc1F	ZINC001250636896	805742345	/nfs/dbraw/zinc/74/23/45/805742345.db2.gz	SUUKPZYNFFPIES-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
Cn1c(-c2cc(C#N)ccc2[O-])nc2ccc(F)c(F)c21	ZINC001251180421	805859801	/nfs/dbraw/zinc/85/98/01/805859801.db2.gz	VCJRVLNRUCKGAT-UHFFFAOYSA-N	-1	0	285.253	3.096	20	30		CGEDRM
O=C(CCc1nnc(-c2ccc(F)cc2)o1)C1=CC=C[CH]1	ZINC001252220760	806031225	/nfs/dbraw/zinc/03/12/25/806031225.db2.gz	GVLNGBJHIWTTQB-UHFFFAOYSA-N	-1	0	283.282	3.078	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c1	ZINC000046929245	798891274	/nfs/dbraw/zinc/89/12/74/798891274.db2.gz	LNUQFVFXUBGEJS-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
C=CC[C@@H](NC(=O)C1CCC(CCCC)CC1)C(=O)[O-]	ZINC000150230763	799053767	/nfs/dbraw/zinc/05/37/67/799053767.db2.gz	OWDKOIYOMCJADS-JXQTWKCFSA-N	-1	0	281.396	3.129	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(C(F)F)c2)c1	ZINC000176404678	799096224	/nfs/dbraw/zinc/09/62/24/799096224.db2.gz	YHJSCUPOGCQVOK-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])c(OC)c1	ZINC000588495737	799701539	/nfs/dbraw/zinc/70/15/39/799701539.db2.gz	GWFUPIUJFJDLDY-XQRVVYSFSA-N	-1	0	290.340	3.367	20	30		CGEDRM
Cn1cc(C=CC(=O)c2sccc2[O-])c(C(C)(C)C)n1	ZINC000588599143	799719891	/nfs/dbraw/zinc/71/98/91/799719891.db2.gz	QDNNKXLWGJFJEQ-WAYWQWQTSA-N	-1	0	290.388	3.381	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccsc2)ccc1O	ZINC000809154435	800413811	/nfs/dbraw/zinc/41/38/11/800413811.db2.gz	VJTSFLISCZMJGU-IWQZZHSRSA-N	-1	0	274.297	3.048	20	30		CGEDRM
CC(C)c1scnc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122648141	802878512	/nfs/dbraw/zinc/87/85/12/802878512.db2.gz	ZDVFLWKAWGYXQP-VIFPVBQESA-N	-1	0	289.335	3.291	20	30		CGEDRM
C=CC1(CC(=O)OCc2n[n-]c(C)cc2=O)CCCCC1	ZINC001122948503	802894057	/nfs/dbraw/zinc/89/40/57/802894057.db2.gz	REVRREAJHJTXEA-UHFFFAOYSA-N	-1	0	290.363	3.060	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cc(F)c([O-])c(F)c1	ZINC001244093267	803181632	/nfs/dbraw/zinc/18/16/32/803181632.db2.gz	FQPRMJSVEJFECU-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cccc3[nH]c(C#N)cc32)c1	ZINC001244177216	803226644	/nfs/dbraw/zinc/22/66/44/803226644.db2.gz	XLGHGDVWLPQSGY-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ncc(C#N)cc1C	ZINC001244417594	803360628	/nfs/dbraw/zinc/36/06/28/803360628.db2.gz	CZCLVOBOMVXJMV-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1ccc(OC(F)(F)F)cc1[O-]	ZINC001244464504	803380635	/nfs/dbraw/zinc/38/06/35/803380635.db2.gz	PCXLMLNIQUIJKM-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(Cl)cc1[O-])CCC2	ZINC001244466423	803383190	/nfs/dbraw/zinc/38/31/90/803383190.db2.gz	JMSYTDFBJWMEBC-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cc(F)c([O-])c(Cl)c2)n1	ZINC001244500927	803405778	/nfs/dbraw/zinc/40/57/78/803405778.db2.gz	XQVLIDRTECVWDI-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)c([O-])c(Cl)c2)cn1	ZINC001244500176	803406675	/nfs/dbraw/zinc/40/66/75/803406675.db2.gz	CAGHXXFBIBBMED-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
COc1ncc(-c2ccc(Cl)c([O-])c2F)cc1C#N	ZINC001244629546	803473315	/nfs/dbraw/zinc/47/33/15/803473315.db2.gz	JGFYVLUCXJWHFG-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cc(C)c(C(=O)[O-])c(C)c1	ZINC001244946227	803586317	/nfs/dbraw/zinc/58/63/17/803586317.db2.gz	WYMPLCXMTYMIIN-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cnc(-c2cc(C)c(C(=O)[O-])c(C)c2)cc1C#N	ZINC001244945887	803586453	/nfs/dbraw/zinc/58/64/53/803586453.db2.gz	DHUTWBVZLDCIBD-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
N#Cc1cncc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)n1	ZINC001244999253	803608329	/nfs/dbraw/zinc/60/83/29/803608329.db2.gz	ATXVJNXURUPTQJ-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
CC#Cc1cncc(-c2cccc(C(=O)[O-])c2C)c1	ZINC001245298882	803694046	/nfs/dbraw/zinc/69/40/46/803694046.db2.gz	CVNMFTHWSZSZNN-UHFFFAOYSA-N	-1	0	251.285	3.127	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(C#N)c(CC#N)c1	ZINC001245301313	803695476	/nfs/dbraw/zinc/69/54/76/803695476.db2.gz	QSMOUOKFOJQEMT-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cc([O-])c(F)c(F)c1F	ZINC001245635913	803869302	/nfs/dbraw/zinc/86/93/02/803869302.db2.gz	WDVPUSJSENHGEK-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cc(Cl)c([O-])cc2F)n1	ZINC001245667970	803895599	/nfs/dbraw/zinc/89/55/99/803895599.db2.gz	OOVIBZMIFNBFMJ-UHFFFAOYSA-N	-1	0	295.726	3.235	20	30		CGEDRM
N#CCCn1[n-]c(-c2cc(Cl)ccc2Cl)cc1=O	ZINC001245926728	804054682	/nfs/dbraw/zinc/05/46/82/804054682.db2.gz	FCTHSYXTXRCADY-UHFFFAOYSA-N	-1	0	282.130	3.476	20	30		CGEDRM
COc1ccccc1-n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245937280	804066508	/nfs/dbraw/zinc/06/65/08/804066508.db2.gz	KSMUGCQHKLEAEJ-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2c(Cl)cccc2Cl)[n-]1	ZINC001245951400	804086813	/nfs/dbraw/zinc/08/68/13/804086813.db2.gz	FKPJXOFIMHLNIS-UHFFFAOYSA-N	-1	0	281.142	3.451	20	30		CGEDRM
CCCCCCCCCc1cc(=O)n(CCCO)[n-]1	ZINC001245954715	804089807	/nfs/dbraw/zinc/08/98/07/804089807.db2.gz	PMQKIWPDKCUYOI-UHFFFAOYSA-N	-1	0	268.401	3.264	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2Cl)c(O)c1	ZINC001248557310	804951585	/nfs/dbraw/zinc/95/15/85/804951585.db2.gz	LEHNFEQTODNIGQ-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1c(F)ccc([O-])c1Cl	ZINC001250236462	805511850	/nfs/dbraw/zinc/51/18/50/805511850.db2.gz	QSMIWBWOTUFAFE-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
N#Cc1cccc(C(=O)Cc2cccc([S-])c2)c1	ZINC001250287735	805543955	/nfs/dbraw/zinc/54/39/55/805543955.db2.gz	JMHRMQSHOCISSZ-UHFFFAOYSA-N	-1	0	253.326	3.272	20	30		CGEDRM
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(C#N)s2)c1	ZINC001259517736	807679867	/nfs/dbraw/zinc/67/98/67/807679867.db2.gz	LSLFJXSXOQXULT-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#CC1CCC(=Nc2nc(Br)ccc2[O-])CC1	ZINC001212854239	815159674	/nfs/dbraw/zinc/15/96/74/815159674.db2.gz	AQIZGPNFDMTYNT-QMMMGPOBSA-N	-1	0	294.152	3.169	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc3c(o2)CCCC3)nc(C)n1	ZINC001263305367	807945290	/nfs/dbraw/zinc/94/52/90/807945290.db2.gz	WLSIWZJYGPLKJG-ZDUSSCGKSA-N	-1	0	295.342	3.055	20	30		CGEDRM
CC(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001173897411	808749820	/nfs/dbraw/zinc/74/98/20/808749820.db2.gz	QSOJXDORPFGRHX-UHFFFAOYSA-N	-1	0	270.263	3.349	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1scc(C)c1C#N	ZINC001174671686	809126297	/nfs/dbraw/zinc/12/62/97/809126297.db2.gz	YIDNEPIJTGPQDM-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
COc1cc(Nc2csc(C#N)c2)ccc1C(=O)[O-]	ZINC001174683541	809128916	/nfs/dbraw/zinc/12/89/16/809128916.db2.gz	OZFPFFQRPLSGBI-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)c(F)c2)ccc1C(=O)[O-]	ZINC001174685192	809129739	/nfs/dbraw/zinc/12/97/39/809129739.db2.gz	KGIUNYFCBHDFHF-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001174687164	809130790	/nfs/dbraw/zinc/13/07/90/809130790.db2.gz	ONNISBMKNMMYDF-UHFFFAOYSA-N	-1	0	297.314	3.050	20	30		CGEDRM
Cc1cccc(Nc2ccc(C(=O)[O-])s2)c1C#N	ZINC001174811202	809169913	/nfs/dbraw/zinc/16/99/13/809169913.db2.gz	YSNDNILGDGVNGF-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175221151	809312990	/nfs/dbraw/zinc/31/29/90/809312990.db2.gz	JFJGYAWIPNCWTM-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1nsc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC001175313485	809350975	/nfs/dbraw/zinc/35/09/75/809350975.db2.gz	FLHMUMGPLISNIS-UHFFFAOYSA-N	-1	0	293.735	3.418	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175332696	809360146	/nfs/dbraw/zinc/36/01/46/809360146.db2.gz	VERLIGBCOXVYJR-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CSc1nc2ccccc2s1	ZINC001300220144	809564473	/nfs/dbraw/zinc/56/44/73/809564473.db2.gz	SYHKYNDCUHNIHZ-UHFFFAOYSA-N	-1	0	294.401	3.012	20	30		CGEDRM
COc1cc(Nc2cccc(C)c2C#N)cc(C(=O)[O-])c1	ZINC001213591432	815307479	/nfs/dbraw/zinc/30/74/79/815307479.db2.gz	ZUJLNVMHHGDTAP-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1sccc1Nc1csc(C(=O)[O-])c1	ZINC001176434758	809695701	/nfs/dbraw/zinc/69/57/01/809695701.db2.gz	CEARHKZUNDHHJU-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176584652	809724594	/nfs/dbraw/zinc/72/45/94/809724594.db2.gz	OPZGUXJGSWJRJJ-UHFFFAOYSA-N	-1	0	293.326	3.122	20	30		CGEDRM
Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cnc1C#N	ZINC001176594747	809726571	/nfs/dbraw/zinc/72/65/71/809726571.db2.gz	ZUXJBAPZGBGSCQ-QPJJXVBHSA-N	-1	0	279.299	3.103	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(O)cc(Cl)c1	ZINC001176623847	809732758	/nfs/dbraw/zinc/73/27/58/809732758.db2.gz	ILJVNAJTZCCUIG-UHFFFAOYSA-N	-1	0	266.709	3.428	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176663877	809738782	/nfs/dbraw/zinc/73/87/82/809738782.db2.gz	NCTQOKSRCPHPDF-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC001176678059	809741179	/nfs/dbraw/zinc/74/11/79/809741179.db2.gz	JXKPBETYJVMTNM-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(C(=O)[O-])cc1	ZINC001176706933	809745454	/nfs/dbraw/zinc/74/54/54/809745454.db2.gz	BZWBQMKZAKGCMO-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176710426	809745774	/nfs/dbraw/zinc/74/57/74/809745774.db2.gz	JIDZYXSZAYHYCO-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
CC#CCCCCCCCC(=O)Nc1ncccc1O	ZINC001182763939	810123044	/nfs/dbraw/zinc/12/30/44/810123044.db2.gz	FCNPNGZHODVTRN-UHFFFAOYSA-N	-1	0	274.364	3.480	20	30		CGEDRM
CN(C(=O)CCC(=O)C1=CC=C[CH]1)[C@@H]1CCc2ccccc21	ZINC001184245662	810185140	/nfs/dbraw/zinc/18/51/40/810185140.db2.gz	WLXHABDYXOUXGE-QGZVFWFLSA-N	-1	0	294.374	3.182	20	30		CGEDRM
CC1(C)CC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001185172208	810240940	/nfs/dbraw/zinc/24/09/40/810240940.db2.gz	DWIZSCKUWUPVNW-SECBINFHSA-N	-1	0	276.311	3.168	20	30		CGEDRM
CCOCc1ccc(C(=O)Nc2ccc(C#N)cc2O)cc1	ZINC001187103954	810385320	/nfs/dbraw/zinc/38/53/20/810385320.db2.gz	INEOMSLKKZCDIV-UHFFFAOYSA-N	-1	0	296.326	3.053	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cccnc1C#N	ZINC001187993027	810439646	/nfs/dbraw/zinc/43/96/46/810439646.db2.gz	FPKRXAAURXUPMO-UHFFFAOYSA-N	-1	0	295.408	3.055	20	30		CGEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1	ZINC001190499582	810630846	/nfs/dbraw/zinc/63/08/46/810630846.db2.gz	DSHGSPBWFHTOHS-UHFFFAOYSA-N	-1	0	298.367	3.236	20	30		CGEDRM
N#Cc1ccc(F)c([N-]c2nnc(-c3ccco3)o2)c1	ZINC001214590320	815428123	/nfs/dbraw/zinc/42/81/23/815428123.db2.gz	GYTVRIVMWMUKHE-UHFFFAOYSA-N	-1	0	270.223	3.084	20	30		CGEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)cc2[O-])Cc2ccccc21	ZINC001195740764	811283221	/nfs/dbraw/zinc/28/32/21/811283221.db2.gz	LIZBONKNMLGYRE-LBPRGKRZSA-N	-1	0	292.338	3.023	20	30		CGEDRM
N#CC1=C(NC(=S)Nc2ccccc2F)SCC1=O	ZINC001195745537	811284919	/nfs/dbraw/zinc/28/49/19/811284919.db2.gz	SRUFGJDQKVZNBT-UHFFFAOYSA-N	-1	0	293.348	3.273	20	30		CGEDRM
C=CC[C@@H](NC(=O)c1ccc(C#N)cc1[O-])c1ccccc1	ZINC001195768026	811289729	/nfs/dbraw/zinc/28/97/29/811289729.db2.gz	CTJGXKRQRWWOGJ-MRXNPFEDSA-N	-1	0	292.338	3.311	20	30		CGEDRM
Cc1ccc(C)c(Nc2cnc(F)c(C(=O)[O-])c2)c1C#N	ZINC001215117970	815485032	/nfs/dbraw/zinc/48/50/32/815485032.db2.gz	OOAVVCOMTUJNMI-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
C=CCNC(=O)Nc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001202572249	812125638	/nfs/dbraw/zinc/12/56/38/812125638.db2.gz	ZKAZFYOOEOKLTG-ZDUSSCGKSA-N	-1	0	290.363	3.208	20	30		CGEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])s1	ZINC001215389808	815514247	/nfs/dbraw/zinc/51/42/47/815514247.db2.gz	GQTMVWSZIZRKPZ-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccsc1C(=O)[O-]	ZINC001215395218	815515706	/nfs/dbraw/zinc/51/57/06/815515706.db2.gz	HIHCCNMOPOJIPS-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])cc2F)cc1F	ZINC001203292607	812295803	/nfs/dbraw/zinc/29/58/03/812295803.db2.gz	KPIHYKLYBMFFAQ-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292635	812295903	/nfs/dbraw/zinc/29/59/03/812295903.db2.gz	RTNDJENUOMCLJZ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203292478	812296209	/nfs/dbraw/zinc/29/62/09/812296209.db2.gz	IVIZFCYZUPMCMU-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1nn(C)c2ccc(Nc3scc([O-])c3C#N)cc12	ZINC001204848436	812753140	/nfs/dbraw/zinc/75/31/40/812753140.db2.gz	FGESFFGZDNJWRH-UHFFFAOYSA-N	-1	0	284.344	3.264	20	30		CGEDRM
C[C@H](CC(C)(C)S)OCc1ccc(C(=O)[O-])cc1	ZINC001205690116	813052978	/nfs/dbraw/zinc/05/29/78/813052978.db2.gz	MQKNNXHQXBNGLK-SNVBAGLBSA-N	-1	0	268.378	3.388	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccnc(Cl)c1[O-]	ZINC001209326226	814000147	/nfs/dbraw/zinc/00/01/47/814000147.db2.gz	VXQVWGXJVUXWPO-UHFFFAOYSA-N	-1	0	275.695	3.064	20	30		CGEDRM
COc1ccc(C)c(Nc2scc([O-])c2C#N)c1	ZINC001209839439	814157716	/nfs/dbraw/zinc/15/77/16/814157716.db2.gz	PCSAPNMPOIEVNE-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210074293	814275857	/nfs/dbraw/zinc/27/58/57/814275857.db2.gz	IADDPDNMKLQLRP-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1C#N	ZINC001210242163	814361633	/nfs/dbraw/zinc/36/16/33/814361633.db2.gz	DOVIAOULLSGTNF-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(OC)c1	ZINC001210260030	814370404	/nfs/dbraw/zinc/37/04/04/814370404.db2.gz	WPZYIXMIRUCEPM-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210397595	814443426	/nfs/dbraw/zinc/44/34/26/814443426.db2.gz	CQSPGMWETXOMBH-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
C#Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC001210398495	814444109	/nfs/dbraw/zinc/44/41/09/814444109.db2.gz	GKKPRUOUQYCQRA-UHFFFAOYSA-N	-1	0	272.235	3.164	20	30		CGEDRM
Cc1cc([N-]c2nnc(-c3ccco3)o2)ccc1C#N	ZINC001210802746	814635719	/nfs/dbraw/zinc/63/57/19/814635719.db2.gz	HOHGXSMOCZIQCM-UHFFFAOYSA-N	-1	0	266.260	3.253	20	30		CGEDRM
Cc1coc([N-]c2ccc(F)cc2[N+](=O)[O-])c1C#N	ZINC001210956359	814691860	/nfs/dbraw/zinc/69/18/60/814691860.db2.gz	YNALIDVNKFCBQW-UHFFFAOYSA-N	-1	0	261.212	3.251	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccccc1C(=O)[O-]	ZINC001210969015	814696446	/nfs/dbraw/zinc/69/64/46/814696446.db2.gz	OSRXHYJELIGVOR-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
C#CCOc1ccc(Nc2cccc(C(=O)[O-])c2OC)cc1	ZINC001211036238	814714293	/nfs/dbraw/zinc/71/42/93/814714293.db2.gz	CUXDJTMYUBSGJJ-UHFFFAOYSA-N	-1	0	297.310	3.149	20	30		CGEDRM
COc1cc(Nc2cccc(C(=O)[O-])c2OC)ccc1C#N	ZINC001211037775	814714770	/nfs/dbraw/zinc/71/47/70/814714770.db2.gz	YWRVGPDBLMCXNT-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2cc(F)c(O)cc2F)c1	ZINC001211359636	814886155	/nfs/dbraw/zinc/88/61/55/814886155.db2.gz	JTRLWQCEBJSJNI-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
Cc1cc(Nc2nc(Cl)ccc2C#N)cc(C(=O)[O-])c1	ZINC001211537726	814902925	/nfs/dbraw/zinc/90/29/25/814902925.db2.gz	YCQWDALXYHPDTJ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(Nc2cc(F)ccc2C#N)cc(C(=O)[O-])c1	ZINC001211544762	814905073	/nfs/dbraw/zinc/90/50/73/814905073.db2.gz	KASRGZKAMOHYLO-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC001211601833	814916157	/nfs/dbraw/zinc/91/61/57/814916157.db2.gz	NQNFWESJGUKPPI-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1c(C#N)cccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001216176863	815720794	/nfs/dbraw/zinc/72/07/94/815720794.db2.gz	MNVRGPLJWVTNEG-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
Cc1cc(Nc2cncc(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001216307723	815774329	/nfs/dbraw/zinc/77/43/29/815774329.db2.gz	IKEZEHDUVWFSMZ-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cccc(C(=O)[O-])c1C	ZINC001216661817	815889189	/nfs/dbraw/zinc/88/91/89/815889189.db2.gz	ROLCBSCYDLGGPA-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccccc1-c1noc(-c2ccc([O-])c(C#N)c2)n1	ZINC001216970053	815904416	/nfs/dbraw/zinc/90/44/16/815904416.db2.gz	ZIWFHDMCTITPOM-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
Cc1ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1F	ZINC001216979779	815905225	/nfs/dbraw/zinc/90/52/25/815905225.db2.gz	JJYRQDOMWPTNTD-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(C)c1C#N	ZINC001242922514	823172994	/nfs/dbraw/zinc/17/29/94/823172994.db2.gz	MCLFOHKLOHZDQA-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3c(F)cc(C(=O)[O-])cc3F)cc12	ZINC001222411815	816437735	/nfs/dbraw/zinc/43/77/35/816437735.db2.gz	CGKQEHQERBIMSR-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ncccn1	ZINC001223596715	816655639	/nfs/dbraw/zinc/65/56/39/816655639.db2.gz	MVDWQXHJDYQLKD-KWSCKXNYSA-N	-1	0	277.711	3.044	20	30		CGEDRM
CCC1=C(O/C(=N\[O-])c2ccc(Cl)cc2)C(=O)[C@@H](C)O1	ZINC001223596989	816655817	/nfs/dbraw/zinc/65/58/17/816655817.db2.gz	OWHIVBAGONUAOX-SLPSSQAOSA-N	-1	0	295.722	3.102	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCC[C@@H](C)C2)c1	ZINC001223891930	816699315	/nfs/dbraw/zinc/69/93/15/816699315.db2.gz	WELBHIMKHQRERA-QPVORFQCSA-N	-1	0	293.363	3.435	20	30		CGEDRM
CCCCCCC[C@@H](C)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225735839	817161251	/nfs/dbraw/zinc/16/12/51/817161251.db2.gz	YSVKBHKSAPLYQF-LLVKDONJSA-N	-1	0	296.367	3.097	20	30		CGEDRM
C=C[C@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225878694	817204261	/nfs/dbraw/zinc/20/42/61/817204261.db2.gz	FPARTOSYPBSIJO-RXMQYKEDSA-N	-1	0	250.191	3.292	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2F)C1	ZINC001225882673	817205287	/nfs/dbraw/zinc/20/52/87/817205287.db2.gz	WHGTYFHNZPZWNA-CMPLNLGQSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC(C)=CCC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009323	817248436	/nfs/dbraw/zinc/24/84/36/817248436.db2.gz	VKVYALHFYYZAFD-SNVBAGLBSA-N	-1	0	264.300	3.312	20	30		CGEDRM
CC[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013867	817249385	/nfs/dbraw/zinc/24/93/85/817249385.db2.gz	SBHAJCQREFQEHE-BXKDBHETSA-N	-1	0	264.300	3.146	20	30		CGEDRM
[O-]/N=C/c1cccc(OC(C(F)(F)F)C(F)(F)F)c1	ZINC001226109134	817275216	/nfs/dbraw/zinc/27/52/16/817275216.db2.gz	CMDOWLNMTIFSGK-YAXRCOADSA-N	-1	0	287.159	3.367	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccc(F)c2F)c1C#N	ZINC001226224016	817302622	/nfs/dbraw/zinc/30/26/22/817302622.db2.gz	YCFOBVFLGQRMON-VIFPVBQESA-N	-1	0	290.269	3.386	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[nH]c(=O)ncc1C(C)=O	ZINC001226237581	817305692	/nfs/dbraw/zinc/30/56/92/817305692.db2.gz	KNJXEOPTSYRGTI-OSMZGAPFSA-N	-1	0	290.363	3.145	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(C)[n-]c(=O)c2F)C1	ZINC001226418815	817351700	/nfs/dbraw/zinc/35/17/00/817351700.db2.gz	DBMDZQQEQFOOFQ-VXGBXAGGSA-N	-1	0	278.327	3.310	20	30		CGEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481065	817371765	/nfs/dbraw/zinc/37/17/65/817371765.db2.gz	BVMRASCAIDJXME-LBPRGKRZSA-N	-1	0	288.343	3.283	20	30		CGEDRM
C=CC[C@H](Oc1nc(=O)[n-]c(C)c1Cl)C(C)C	ZINC001227112483	817560859	/nfs/dbraw/zinc/56/08/59/817560859.db2.gz	KLVPJQNSQXMONY-VIFPVBQESA-N	-1	0	256.733	3.124	20	30		CGEDRM
C#C[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)c1ccccc1	ZINC001227601623	817678974	/nfs/dbraw/zinc/67/89/74/817678974.db2.gz	CKNOXADXLSBDNS-VIFPVBQESA-N	-1	0	295.125	3.242	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C#N)cc1C#N	ZINC001243205119	823290524	/nfs/dbraw/zinc/29/05/24/823290524.db2.gz	YMRWCENHMBEOBP-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
COc1nccc(-c2ccc(/C=N/[O-])c(F)c2)c1Cl	ZINC001243319805	823345326	/nfs/dbraw/zinc/34/53/26/823345326.db2.gz	UILMMDWRINBHQR-REZTVBANSA-N	-1	0	280.686	3.358	20	30		CGEDRM
N#CCc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)ccn1	ZINC001243327308	823349953	/nfs/dbraw/zinc/34/99/53/823349953.db2.gz	ZIWGJPXOCCLKED-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](Oc2n[n-]c(=O)cc2Cl)C(C)(C)O1	ZINC001233590331	818651042	/nfs/dbraw/zinc/65/10/42/818651042.db2.gz	PBNRXNRYCSIYFS-YGRLFVJLSA-N	-1	0	298.770	3.117	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2ccc(O)c(F)c2F)c1	ZINC001243340765	823354383	/nfs/dbraw/zinc/35/43/83/823354383.db2.gz	HLZCAKWTCTYHGE-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1ccccc1C=N[O-]	ZINC001234819863	818927621	/nfs/dbraw/zinc/92/76/21/818927621.db2.gz	PXMALIOQZUTCCQ-LBPRGKRZSA-N	-1	0	261.397	3.143	20	30		CGEDRM
CC(C)Oc1cc(COc2ccccc2C=N[O-])ccn1	ZINC001234826677	818928730	/nfs/dbraw/zinc/92/87/30/818928730.db2.gz	XRYJSGXAFBVKMK-UHFFFAOYSA-N	-1	0	286.331	3.256	20	30		CGEDRM
N#Cc1ccc(-c2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001235998465	819267178	/nfs/dbraw/zinc/26/71/78/819267178.db2.gz	YIWKIVPQVWEPTH-UHFFFAOYSA-N	-1	0	274.201	3.220	20	30		CGEDRM
Cc1cc(F)cc(-c2ccc(C(=O)[O-])cc2)c1C#N	ZINC001236061809	819295403	/nfs/dbraw/zinc/29/54/03/819295403.db2.gz	HWDUQJRAKAQSGU-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)cc(F)c2[O-])c(C#N)c1	ZINC001243503268	823422632	/nfs/dbraw/zinc/42/26/32/823422632.db2.gz	FKLUTYBYWBUSKY-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
CCCN(CCC#N)Cc1cc(Cl)cc(F)c1[O-]	ZINC001237619573	819789318	/nfs/dbraw/zinc/78/93/18/819789318.db2.gz	AIEXWLDBUYPEMU-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
C#CC1CCN(Cc2cc(Cl)c([O-])cc2F)CC1	ZINC001238150675	819942579	/nfs/dbraw/zinc/94/25/79/819942579.db2.gz	XIHJDGJPWMNDRV-UHFFFAOYSA-N	-1	0	267.731	3.030	20	30		CGEDRM
CCCCN(CCC#N)Cc1ccc(F)cc1C(=O)[O-]	ZINC001238235843	819966353	/nfs/dbraw/zinc/96/63/53/819966353.db2.gz	XNYPXQCXWBWPME-UHFFFAOYSA-N	-1	0	278.327	3.040	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(C(=O)[O-])cc2F)cc1F	ZINC001239255735	820241593	/nfs/dbraw/zinc/24/15/93/820241593.db2.gz	DORGBCQFUJQOAL-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
N#CCc1ccccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240973084	821457061	/nfs/dbraw/zinc/45/70/61/821457061.db2.gz	AMVBSODJMIKNQF-UHFFFAOYSA-N	-1	0	251.285	3.047	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001241184919	821622075	/nfs/dbraw/zinc/62/20/75/821622075.db2.gz	JDSDLQXZIQTEKW-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
CC(C)c1ccc(C#N)c(-c2cccc(C(=O)[O-])c2)n1	ZINC001241356898	821757733	/nfs/dbraw/zinc/75/77/33/821757733.db2.gz	JZDRMVHIFNMOKV-UHFFFAOYSA-N	-1	0	266.300	3.442	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3cccc(C(=O)[O-])c3)cc12	ZINC001241359026	821759884	/nfs/dbraw/zinc/75/98/84/821759884.db2.gz	GCWZKESETKFTRJ-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
C[Si](C)(C)C#Cc1cccnc1-c1cncc(C(=O)[O-])c1	ZINC001241799653	822149422	/nfs/dbraw/zinc/14/94/22/822149422.db2.gz	BCTAORXKPLOJLB-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
Cc1cccc(-c2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001241828754	822166902	/nfs/dbraw/zinc/16/69/02/822166902.db2.gz	JXZUHHPCSZSUKM-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
COc1ccc(-c2cc(F)cc(C)c2C#N)cc1C(=O)[O-]	ZINC001241868862	822187191	/nfs/dbraw/zinc/18/71/91/822187191.db2.gz	QDVGLBVERZADSI-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
COc1ccc(-c2ccc(C(C)(C)C#N)nc2)cc1C(=O)[O-]	ZINC001241874489	822190143	/nfs/dbraw/zinc/19/01/43/822190143.db2.gz	HWQUFXRUKDVMKN-UHFFFAOYSA-N	-1	0	296.326	3.257	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242131181	822888445	/nfs/dbraw/zinc/88/84/45/822888445.db2.gz	FSCHBZDNXPBLRO-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(C#N)nc(C2CC2)n1	ZINC001242210918	822911616	/nfs/dbraw/zinc/91/16/16/822911616.db2.gz	YRLKQCGVLNCPBK-UHFFFAOYSA-N	-1	0	297.289	3.038	20	30		CGEDRM
N#CCc1ccc(-c2cccc(CC(=O)[O-])c2)cc1F	ZINC001242263111	822929896	/nfs/dbraw/zinc/92/98/96/822929896.db2.gz	XZAKUTSRVXDOSQ-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1ccc(-c2cccc(F)c2[O-])nc1C(F)(F)F	ZINC001242349391	822960426	/nfs/dbraw/zinc/96/04/26/822960426.db2.gz	JHZFWECACBFQQI-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cccc(Cl)c2[O-])n1	ZINC001242363741	822967724	/nfs/dbraw/zinc/96/77/24/822967724.db2.gz	JKYVBMCHJYSBMD-UHFFFAOYSA-N	-1	0	276.723	3.376	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2cccc(C(=O)[O-])c2F)cc1	ZINC001242381778	822975355	/nfs/dbraw/zinc/97/53/55/822975355.db2.gz	GNWDOWDXKJKWMG-RQZCQDPDSA-N	-1	0	273.263	3.389	20	30		CGEDRM
N#Cc1cc(-c2ncc(C(F)(F)F)cc2C#N)ccc1[O-]	ZINC001242562528	823033074	/nfs/dbraw/zinc/03/30/74/823033074.db2.gz	CGBOPSXLYXFCFD-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
C=C(C)CCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC001345120822	936802493	/nfs/dbraw/zinc/80/24/93/936802493.db2.gz	JNBSGFMDFYKXCF-GJZGRUSLSA-N	-1	0	287.359	3.160	20	30		CGEDRM
Cc1oc(C)c(C([O-])=C(C#N)c2ncc(F)cc2F)c1C	ZINC001346764550	936860657	/nfs/dbraw/zinc/86/06/57/936860657.db2.gz	QKVJVTQLSYXMAF-LLVKDONJSA-N	-1	0	290.269	3.368	20	30		CGEDRM
C=CCCO[N-]C(=O)Cc1csc(-c2cccs2)n1	ZINC001454238515	937407342	/nfs/dbraw/zinc/40/73/42/937407342.db2.gz	CGQIWXHXXIQWIE-UHFFFAOYSA-N	-1	0	294.401	3.038	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1c[n-]ncc1=O)c1ccccc1	ZINC001455281004	937416237	/nfs/dbraw/zinc/41/62/37/937416237.db2.gz	BKYIVHNKVSCDLY-HNNXBMFYSA-N	-1	0	297.358	3.010	20	30		CGEDRM
N#Cc1cccc([N-]c2nnc(-c3ccco3)o2)c1F	ZINC001216412845	932019576	/nfs/dbraw/zinc/01/95/76/932019576.db2.gz	VUSVKWOJQSPNIA-UHFFFAOYSA-N	-1	0	270.223	3.084	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1OC1CCC(C(F)(F)F)CC1	ZINC001228898591	932048120	/nfs/dbraw/zinc/04/81/20/932048120.db2.gz	JUPFFJBVPNPFJV-UHFFFAOYSA-N	-1	0	286.253	3.159	20	30		CGEDRM
CC1=CC(=O)c2c(O[C@@H](C)C3=CC=C[CH]3)cccc2C1=O	ZINC001229914280	932502489	/nfs/dbraw/zinc/50/24/89/932502489.db2.gz	PNRHZGMSPGOQEE-LBPRGKRZSA-N	-1	0	279.315	3.480	20	30		CGEDRM
C#Cc1cccc(N(CC)Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC001307575924	932970952	/nfs/dbraw/zinc/97/09/52/932970952.db2.gz	KTNJRUGIAJIDTP-UHFFFAOYSA-N	-1	0	296.326	3.308	20	30		CGEDRM
CC(C)(C)ON=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC001337762706	936287180	/nfs/dbraw/zinc/28/71/80/936287180.db2.gz	OWVCXHXCLHOFJO-UHFFFAOYSA-N	-1	0	260.293	3.015	20	30		CGEDRM
CC[C@@H](F)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC001515768245	938007413	/nfs/dbraw/zinc/00/74/13/938007413.db2.gz	PZQPMMMMFUVKLY-WDEREUQCSA-N	-1	0	293.363	3.267	20	30		CGEDRM
N#C[C@@H]1CCC[C@H](OC(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001594606107	956177622	/nfs/dbraw/zinc/17/76/22/956177622.db2.gz	QHIFGZNWPOELDS-OLZOCXBDSA-N	-1	0	293.363	3.037	20	30		CGEDRM
N#Cc1c(F)cccc1N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC001594611737	956219372	/nfs/dbraw/zinc/21/93/72/956219372.db2.gz	BADWISNSNPBCQG-BLLLJJGKSA-N	-1	0	296.301	3.422	20	30		CGEDRM
N#Cc1c(F)cccc1N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001594611740	956219460	/nfs/dbraw/zinc/21/94/60/956219460.db2.gz	BADWISNSNPBCQG-WBMJQRKESA-N	-1	0	296.301	3.422	20	30		CGEDRM
N#CC1CCC(CSCc2cncc(C(=O)[O-])c2)CC1	ZINC001601059634	960542139	/nfs/dbraw/zinc/54/21/39/960542139.db2.gz	IWRRZSSFIBIAHT-UHFFFAOYSA-N	-1	0	290.388	3.343	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Oc1cc(CC)ccc1C(=O)[O-]	ZINC001602750397	960548999	/nfs/dbraw/zinc/54/89/99/960548999.db2.gz	RKSQVTRMQOYSIT-NSHDSACASA-N	-1	0	276.332	3.455	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC001573463233	962256254	/nfs/dbraw/zinc/25/62/54/962256254.db2.gz	GNVCSMRMMBMBNQ-UHFFFAOYSA-N	-1	0	275.348	3.025	20	30		CGEDRM
C=C(C)C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001573323549	962773499	/nfs/dbraw/zinc/77/34/99/962773499.db2.gz	CNYFEISJABDNIY-JTQLQIEISA-N	-1	0	284.699	3.080	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1	ZINC001573333314	962857175	/nfs/dbraw/zinc/85/71/75/962857175.db2.gz	ZQZVPGLXEUEPOX-ZIAGYGMSSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CC1(CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC001573350150	962966076	/nfs/dbraw/zinc/96/60/76/962966076.db2.gz	CZGCKBYEDGHQCF-CQSZACIVSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=C[C@H](Nc1cc(C(F)(F)F)ccc1OCC)C(=O)[O-]	ZINC001588702207	963088659	/nfs/dbraw/zinc/08/86/59/963088659.db2.gz	MLQRZPNKAVHOII-VIFPVBQESA-N	-1	0	289.253	3.155	20	30		CGEDRM
C#C[C@H](C)N(C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588368138	963265753	/nfs/dbraw/zinc/26/57/53/963265753.db2.gz	GZCBMHOEFHOQDJ-NSHDSACASA-N	-1	0	296.326	3.023	20	30		CGEDRM
C#C[C@@H](CC)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC001588369382	963265862	/nfs/dbraw/zinc/26/58/62/963265862.db2.gz	KDFNXYSAQJESIT-CABZTGNLSA-N	-1	0	286.158	3.121	20	30		CGEDRM
C=C(C)CCOc1c(Cl)cc(F)cc1-c1nn[nH]n1	ZINC001588424508	963268217	/nfs/dbraw/zinc/26/82/17/963268217.db2.gz	LELRYYRMOKSVEI-UHFFFAOYSA-N	-1	0	282.706	3.004	20	30		CGEDRM
C#CCC1(C(=O)Nc2cccc(C(=O)[O-])c2)CCCCC1	ZINC001588428380	963268599	/nfs/dbraw/zinc/26/85/99/963268599.db2.gz	MSRKDDSFTSAIIR-UHFFFAOYSA-N	-1	0	285.343	3.297	20	30		CGEDRM
C#C[C@H](N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)C(C)C	ZINC001588376381	963270184	/nfs/dbraw/zinc/27/01/84/963270184.db2.gz	DEUMSRZMJQNFHJ-STQMWFEESA-N	-1	0	299.292	3.079	20	30		CGEDRM
C#C[C@](C)(CC)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC001588367119	963270501	/nfs/dbraw/zinc/27/05/01/963270501.db2.gz	JHWYLJQWHVKPBP-GXTWGEPZSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C#Cc1ccc(CNc2ccc3c(c2)[nH]cc3C(=O)[O-])cc1	ZINC001588517070	963274272	/nfs/dbraw/zinc/27/42/72/963274272.db2.gz	JPXGDHALCQLSOY-UHFFFAOYSA-N	-1	0	290.322	3.460	20	30		CGEDRM
C#CCN(Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC001588469753	963275332	/nfs/dbraw/zinc/27/53/32/963275332.db2.gz	QFMQNKURYUBUTD-QGZVFWFLSA-N	-1	0	297.329	3.087	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCC[C@H]1CCOC1	ZINC001588577032	963282911	/nfs/dbraw/zinc/28/29/11/963282911.db2.gz	LBRSHXSZIGGQLF-CYBMUJFWSA-N	-1	0	290.359	3.309	20	30		CGEDRM
C=C(C)CCC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC001588559161	963283711	/nfs/dbraw/zinc/28/37/11/963283711.db2.gz	JRBRNLSEUGEZGJ-VURMDHGXSA-N	-1	0	290.315	3.055	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588559819	963283942	/nfs/dbraw/zinc/28/39/42/963283942.db2.gz	UMESCMFBRFZADA-UHFFFAOYSA-N	-1	0	267.712	3.333	20	30		CGEDRM
C=C(C)CCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC001588554372	963284005	/nfs/dbraw/zinc/28/40/05/963284005.db2.gz	GMYDVMKARZKQDR-AWEZNQCLSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(C)c1cccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1	ZINC001588605451	963292434	/nfs/dbraw/zinc/29/24/34/963292434.db2.gz	ICEBDQSKOADCDT-UHFFFAOYSA-N	-1	0	299.286	3.465	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(SC)c1C	ZINC001588634170	963293320	/nfs/dbraw/zinc/29/33/20/963293320.db2.gz	SOMGUFASHUJZRJ-UHFFFAOYSA-N	-1	0	279.361	3.076	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1	ZINC001588649846	963296284	/nfs/dbraw/zinc/29/62/84/963296284.db2.gz	HZUYRFMPIFQXQM-UHFFFAOYSA-N	-1	0	294.738	3.118	20	30		CGEDRM
C=C[C@H](C(=O)[O-])N1CC2(CCCC2)c2c1cccc2F	ZINC001588663129	963296775	/nfs/dbraw/zinc/29/67/75/963296775.db2.gz	CCUFLJPODLFPSP-GFCCVEGCSA-N	-1	0	275.323	3.097	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC001588682843	963297533	/nfs/dbraw/zinc/29/75/33/963297533.db2.gz	RAXXMVIXRDAESM-OTYXRUKQSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CC[C@H](N[C@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588745312	963307920	/nfs/dbraw/zinc/30/79/20/963307920.db2.gz	HNVVQKCLVKYBGA-YPMHNXCESA-N	-1	0	286.331	3.022	20	30		CGEDRM
C=CC[C@@H](Sc1nccn1-c1cccc(C)c1)C(=O)[O-]	ZINC001588759690	963310468	/nfs/dbraw/zinc/31/04/68/963310468.db2.gz	ZACQJDUNLPDDGL-CYBMUJFWSA-N	-1	0	288.372	3.302	20	30		CGEDRM
C=CCC(CC=C)c1nc(-c2cc(C(=O)[O-])n(C)c2)no1	ZINC001588737406	963310899	/nfs/dbraw/zinc/31/08/99/963310899.db2.gz	KJXGWYPEYGIFDD-UHFFFAOYSA-N	-1	0	287.319	3.009	20	30		CGEDRM
C=CC[C@H](Nc1cccc2c1ccn2C(F)F)C(=O)[O-]	ZINC001588751425	963312482	/nfs/dbraw/zinc/31/24/82/963312482.db2.gz	MNGNEEMOGHNXPF-NSHDSACASA-N	-1	0	280.274	3.478	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC001588792835	963313646	/nfs/dbraw/zinc/31/36/46/963313646.db2.gz	OJOPXGLUPGUJHJ-GFCCVEGCSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588782663	963314420	/nfs/dbraw/zinc/31/44/20/963314420.db2.gz	YPYMAKKXSOTZCH-CQSZACIVSA-N	-1	0	291.322	3.095	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC001588792867	963315002	/nfs/dbraw/zinc/31/50/02/963315002.db2.gz	ONVMWYOIAJMFJS-OAHLLOKOSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cccc(Cl)c1C)C(=O)[O-]	ZINC001588793652	963315392	/nfs/dbraw/zinc/31/53/92/963315392.db2.gz	VWOLFRCKCNWPAX-ZDUSSCGKSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588785494	963315574	/nfs/dbraw/zinc/31/55/74/963315574.db2.gz	HMJYZSRIMBQOIH-JTQLQIEISA-N	-1	0	280.295	3.426	20	30		CGEDRM
C=CCCC[C@@H](C)Sc1[nH]c(=O)nc(C)c1C(=O)[O-]	ZINC001588784794	963317341	/nfs/dbraw/zinc/31/73/41/963317341.db2.gz	BKLLMGYWYRVURL-MRVPVSSYSA-N	-1	0	282.365	3.026	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588771539	963317842	/nfs/dbraw/zinc/31/78/42/963317842.db2.gz	XEUUDYDDOLNINJ-SMDDNHRTSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])oc1C)c1ccccc1	ZINC001588829154	963322477	/nfs/dbraw/zinc/32/24/77/963322477.db2.gz	GEWKCVSBUZWLHR-UHFFFAOYSA-N	-1	0	271.316	3.479	20	30		CGEDRM
CC(=NO[C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(F)cc1	ZINC001589017650	963342457	/nfs/dbraw/zinc/34/24/57/963342457.db2.gz	XIAFYPFUGKEMBC-VIFPVBQESA-N	-1	0	292.266	3.014	20	30		CGEDRM
CC(=NNc1ccc(F)cc1C)c1cc(C(=O)[O-])co1	ZINC001589016308	963344933	/nfs/dbraw/zinc/34/49/33/963344933.db2.gz	DSEDOGQSOWUSIH-UHFFFAOYSA-N	-1	0	276.267	3.261	20	30		CGEDRM
N#CCc1cccc(Nc2ncc(C(=O)[O-])cc2Cl)c1	ZINC000313450724	963642493	/nfs/dbraw/zinc/64/24/93/963642493.db2.gz	QOWPVCXXLXRSJE-UHFFFAOYSA-N	-1	0	287.706	3.243	20	30		CGEDRM
C=CCCCCCCNC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000314484291	963759180	/nfs/dbraw/zinc/75/91/80/963759180.db2.gz	PGJVQALTUQIAHZ-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C#CCCCCCCOC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588441825	964054237	/nfs/dbraw/zinc/05/42/37/964054237.db2.gz	KQKOZIXNMNBHMH-UONOGXRCSA-N	-1	0	280.364	3.004	20	30		CGEDRM
CCc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F	ZINC001597483451	987987596	/nfs/dbraw/zinc/98/75/96/987987596.db2.gz	RXLQMFNAKHPYMO-INIZCTEOSA-N	-1	0	298.317	3.498	20	30		CGEDRM
CCc1ccc(C=NOCc2cc(C)c(C(=O)[O-])o2)cc1	ZINC001597519822	988142335	/nfs/dbraw/zinc/14/23/35/988142335.db2.gz	CVVONUXGZBBPML-UHFFFAOYSA-N	-1	0	287.315	3.399	20	30		CGEDRM
CSc1ccc(NCC2(CC#N)CC2)cc1C(=O)[O-]	ZINC001599820627	988507847	/nfs/dbraw/zinc/50/78/47/988507847.db2.gz	GAJCTZRFMZVRDG-UHFFFAOYSA-N	-1	0	276.361	3.212	20	30		CGEDRM
C[C@H](Nc1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1	ZINC001593362486	995033094	/nfs/dbraw/zinc/03/30/94/995033094.db2.gz	JJRKMIZVBCSAIH-LBPRGKRZSA-N	-1	0	296.326	3.195	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1NCC1CCC(C#N)CC1	ZINC001599375671	998481756	/nfs/dbraw/zinc/48/17/56/998481756.db2.gz	RYYGFDHFSKKQLI-UHFFFAOYSA-N	-1	0	288.347	3.135	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1	ZINC000041556462	344972126	/nfs/dbraw/zinc/97/21/26/344972126.db2.gz	MVEKWFVCKRRCFM-JTQLQIEISA-N	-1	0	294.232	3.492	20	30		CGEDRM
N#CC(=C([O-])c1ccsc1)c1nc2ccccc2o1	ZINC000041544179	344972146	/nfs/dbraw/zinc/97/21/46/344972146.db2.gz	YRKXLBFKKRYGQS-JTQLQIEISA-N	-1	0	268.297	3.379	20	30		CGEDRM
C=CCCCN(C)c1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000135979788	346089446	/nfs/dbraw/zinc/08/94/46/346089446.db2.gz	ABYNPVLNPVNANH-UHFFFAOYSA-N	-1	0	291.376	3.100	20	30		CGEDRM
N#Cc1ccccc1CSc1n[nH]c(-c2ccccn2)n1	ZINC000172161250	346215912	/nfs/dbraw/zinc/21/59/12/346215912.db2.gz	YOYNUBUFKFGSCU-UHFFFAOYSA-N	-1	0	293.355	3.031	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000172378889	346220403	/nfs/dbraw/zinc/22/04/03/346220403.db2.gz	OOEDFGKEXMFRGN-VIFPVBQESA-N	-1	0	283.312	3.083	20	30		CGEDRM
CC(C)Cc1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000593944901	347121925	/nfs/dbraw/zinc/12/19/25/347121925.db2.gz	ANEOOKXJTKYFCS-UHFFFAOYSA-N	-1	0	298.390	3.103	20	30		CGEDRM
N#Cc1c(Cl)cccc1NC[C@H](C(=O)[O-])C1CCC1	ZINC000595978505	347373305	/nfs/dbraw/zinc/37/33/05/347373305.db2.gz	WOYSXPVTZKUFBX-NSHDSACASA-N	-1	0	278.739	3.124	20	30		CGEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1Cl	ZINC000601985610	347931297	/nfs/dbraw/zinc/93/12/97/347931297.db2.gz	BPYHHXKJROUDER-CQSZACIVSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CCC(C)(C)c1n[n-]c(=N[C@@H]2CCc3cc(C#N)ccc32)o1	ZINC000603366080	348074834	/nfs/dbraw/zinc/07/48/34/348074834.db2.gz	NSGKZLOBRXDLND-CQSZACIVSA-N	-1	0	296.374	3.150	20	30		CGEDRM
Cc1c(NC(=O)c2cccc(CC#N)c2)cccc1C(=O)[O-]	ZINC000603738683	348094511	/nfs/dbraw/zinc/09/45/11/348094511.db2.gz	GKELULHNQFKIQQ-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C=CCN=c1[n-]nc(S[C@@H]2CCC[C@@H](C)C2)s1	ZINC000605075989	348146495	/nfs/dbraw/zinc/14/64/95/348146495.db2.gz	BZCWRMOOCJQQTQ-NXEZZACHSA-N	-1	0	269.439	3.229	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc3occc3s2)nc(C)n1	ZINC000606147480	348171066	/nfs/dbraw/zinc/17/10/66/348171066.db2.gz	WZXZNTFIQZOBQP-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
CC(C)Cc1nc(=N[C@H]2CCc3cc(C#N)ccc32)s[n-]1	ZINC000618693157	349145532	/nfs/dbraw/zinc/14/55/32/349145532.db2.gz	AVGVXCZNKGMCIJ-AWEZNQCLSA-N	-1	0	298.415	3.130	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634864502	351598312	/nfs/dbraw/zinc/59/83/12/351598312.db2.gz	NDEJGFTUUVLMNO-KRWDZBQOSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634927596	351605097	/nfs/dbraw/zinc/60/50/97/351605097.db2.gz	UAELNMVPJMEUDR-IOASZLSFSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CCCc1nnc(NC(=O)c2ccc([O-])c(Cl)c2)s1	ZINC000026831660	368864839	/nfs/dbraw/zinc/86/48/39/368864839.db2.gz	ZQKRBXPYSUUPFQ-UHFFFAOYSA-N	-1	0	297.767	3.486	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(C)c2)n1	ZINC000041519704	369189225	/nfs/dbraw/zinc/18/92/25/369189225.db2.gz	DPIIALDDKHVVRF-GFCCVEGCSA-N	-1	0	256.330	3.250	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nc(C2CCC2)cs1	ZINC000291879838	372175684	/nfs/dbraw/zinc/17/56/84/372175684.db2.gz	MTXQCIMXZPEVQP-UHFFFAOYSA-N	-1	0	286.422	3.119	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1nccc2ccccc21	ZINC000429563840	372372510	/nfs/dbraw/zinc/37/25/10/372372510.db2.gz	CYQVGMTZDKFWQZ-LBPRGKRZSA-N	-1	0	279.324	3.181	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000430598644	372392457	/nfs/dbraw/zinc/39/24/57/372392457.db2.gz	DJKYYMLGYJVIAD-LBPRGKRZSA-N	-1	0	291.310	3.275	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000448997777	373653733	/nfs/dbraw/zinc/65/37/33/373653733.db2.gz	GWCAYGXLRKTFPH-TZMCWYRMSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N(CCC)[C@@H](CC)C(=O)[O-]	ZINC000514772802	375806377	/nfs/dbraw/zinc/80/63/77/375806377.db2.gz	KWRBYEKSBQZFBV-OLZOCXBDSA-N	-1	0	284.400	3.016	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccc1F	ZINC000336601521	375865803	/nfs/dbraw/zinc/86/58/03/375865803.db2.gz	CGFCTVLXPWAIKQ-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C=CCC1(C(=O)N=c2nc(C3(C)CC3)[n-]s2)CCCC1	ZINC000529699812	375934231	/nfs/dbraw/zinc/93/42/31/375934231.db2.gz	BLFPWRBQGIFQCU-UHFFFAOYSA-N	-1	0	291.420	3.087	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)CCCCC(=O)[O-]	ZINC000263265414	190067214	/nfs/dbraw/zinc/06/72/14/190067214.db2.gz	HEYNVKWREGWDQT-UHFFFAOYSA-N	-1	0	281.396	3.226	20	30		CGEDRM
Cc1sc(/C=C\c2cccc(C#N)c2)nc1C(=O)[O-]	ZINC000339115567	376688847	/nfs/dbraw/zinc/68/88/47/376688847.db2.gz	YQXIUFFCEIBOCY-WAYWQWQTSA-N	-1	0	270.313	3.192	20	30		CGEDRM
C=C(C)COc1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1	ZINC000580845017	378263474	/nfs/dbraw/zinc/26/34/74/378263474.db2.gz	WVEQKKFKGVITSJ-GFCCVEGCSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000272551103	378663688	/nfs/dbraw/zinc/66/36/88/378663688.db2.gz	PJTPCOBQKLSHEU-UHFFFAOYSA-N	-1	0	292.335	3.119	20	30		CGEDRM
C=CCCC1(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)CC1	ZINC000359740462	381364513	/nfs/dbraw/zinc/36/45/13/381364513.db2.gz	SAOXZBJJZQIATI-UHFFFAOYSA-N	-1	0	299.374	3.393	20	30		CGEDRM
CC(C)c1n[n-]c(=N[C@H]2CCCc3cc(C#N)ccc32)s1	ZINC000419022457	393363598	/nfs/dbraw/zinc/36/35/98/393363598.db2.gz	ZYXGZMURNVLCQC-AWEZNQCLSA-N	-1	0	298.415	3.445	20	30		CGEDRM
C=CCc1ccc(OCCCCC(=O)[O-])c(OC)c1	ZINC000072119873	176319735	/nfs/dbraw/zinc/31/97/35/176319735.db2.gz	XMNHSOLMSYKKEX-UHFFFAOYSA-N	-1	0	264.321	3.057	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000049632986	416473920	/nfs/dbraw/zinc/47/39/20/416473920.db2.gz	XQOFGTPOVSFFSM-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1C	ZINC000684948585	544042750	/nfs/dbraw/zinc/04/27/50/544042750.db2.gz	YOEHMWBRJJLUIA-GFCCVEGCSA-N	-1	0	295.367	3.433	20	30		CGEDRM
C[C@H]1OCC[C@@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329087772	227287726	/nfs/dbraw/zinc/28/77/26/227287726.db2.gz	HOFCJKGOHCNVFZ-RQJHMYQMSA-N	-1	0	268.363	3.371	20	30		CGEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000353876793	228161431	/nfs/dbraw/zinc/16/14/31/228161431.db2.gz	MFVCWMJFYYLTBJ-SNVBAGLBSA-N	-1	0	273.361	3.393	20	30		CGEDRM
Cc1cc(C#N)ccc1-c1nc(-c2ccc(O)c(F)c2)no1	ZINC000318698357	262034860	/nfs/dbraw/zinc/03/48/60/262034860.db2.gz	ICQJVJAJWVWIST-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#CC(=C([O-])c1sccc1C#N)c1nc2ccccc2o1	ZINC000172668222	268304018	/nfs/dbraw/zinc/30/40/18/268304018.db2.gz	MVMNMLISQAHDOK-JTQLQIEISA-N	-1	0	293.307	3.251	20	30		CGEDRM
CC(=Cc1ccc(C2CC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000565586169	322082748	/nfs/dbraw/zinc/08/27/48/322082748.db2.gz	NQMIOQLHXSGGSD-LUAWRHEFSA-N	-1	0	291.354	3.388	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000191245954	328504918	/nfs/dbraw/zinc/50/49/18/328504918.db2.gz	DDSMXCPKCZKSJI-UHFFFAOYSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCCCCNC(=O)c1cccc(Br)c1[O-]	ZINC000547463676	328691481	/nfs/dbraw/zinc/69/14/81/328691481.db2.gz	ACFZLIQSVNIJJD-UHFFFAOYSA-N	-1	0	298.180	3.241	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000398110625	329433877	/nfs/dbraw/zinc/43/38/77/329433877.db2.gz	YJCSUBQYLPROPT-OCCSQVGLSA-N	-1	0	296.411	3.064	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000262437254	330008042	/nfs/dbraw/zinc/00/80/42/330008042.db2.gz	UCGSYEHVDGXLJL-UHFFFAOYSA-N	-1	0	287.359	3.411	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)NCCC(=O)[O-]	ZINC000263120975	330044742	/nfs/dbraw/zinc/04/47/42/330044742.db2.gz	WVZHJHOWUSMFQQ-UHFFFAOYSA-N	-1	0	290.363	3.135	20	30		CGEDRM
N#CC(=C([O-])c1cc2ccccc2o1)c1ccccn1	ZINC000046439446	330352858	/nfs/dbraw/zinc/35/28/58/330352858.db2.gz	BIFOCEYHHIMTFR-LBPRGKRZSA-N	-1	0	262.268	3.318	20	30		CGEDRM
C=CCN=c1[n-]nc(SCCc2ccccc2F)s1	ZINC000432729258	330604504	/nfs/dbraw/zinc/60/45/04/330604504.db2.gz	PDGWPMFDRMMHRQ-UHFFFAOYSA-N	-1	0	295.408	3.032	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1	ZINC000439899090	330744562	/nfs/dbraw/zinc/74/45/62/330744562.db2.gz	HCJXKRHQMCVXKK-GXTWGEPZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
N#CCc1ccccc1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000564160832	333150979	/nfs/dbraw/zinc/15/09/79/333150979.db2.gz	MGIZQQJDYCKJCV-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)oc1C	ZINC000573057288	334904104	/nfs/dbraw/zinc/90/41/04/334904104.db2.gz	QKQKIPQJIMAXNZ-GFCCVEGCSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=C1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1	ZINC000576595910	335224521	/nfs/dbraw/zinc/22/45/21/335224521.db2.gz	QVYFIWTUFAEYBK-UHFFFAOYSA-N	-1	0	285.265	3.203	20	30		CGEDRM
CC(C)c1nc(/C=C/c2ccccc2C#N)ncc1C(=O)[O-]	ZINC000179329001	335487481	/nfs/dbraw/zinc/48/74/81/335487481.db2.gz	OUAHRUIQHNECDZ-BQYQJAHWSA-N	-1	0	293.326	3.340	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2ccccc2F)cc1F	ZINC000749860403	571728209	/nfs/dbraw/zinc/72/82/09/571728209.db2.gz	ZFBVXLDHJLTQGN-UHFFFAOYSA-N	-1	0	266.222	3.256	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738492497	571804488	/nfs/dbraw/zinc/80/44/88/571804488.db2.gz	FUCMVVDXDQFPJA-UHFFFAOYSA-N	-1	0	295.314	3.346	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)CC2	ZINC000738074237	572364638	/nfs/dbraw/zinc/36/46/38/572364638.db2.gz	PNLYCRAGDAXIRV-DHZHZOJOSA-N	-1	0	298.294	3.199	20	30		CGEDRM
N#Cc1c(F)cccc1NCCc1ccc(NC(=O)[O-])cc1	ZINC000739092258	572402055	/nfs/dbraw/zinc/40/20/55/572402055.db2.gz	DVKLUUMAIBCCKS-UHFFFAOYSA-N	-1	0	299.305	3.442	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2cccc(OCC(=O)[O-])c2)c1	ZINC000733201547	572542315	/nfs/dbraw/zinc/54/23/15/572542315.db2.gz	MAHPUSGAZVCYLQ-UHFFFAOYSA-N	-1	0	298.342	3.213	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)COC2	ZINC000743419418	572659194	/nfs/dbraw/zinc/65/91/94/572659194.db2.gz	VDDUKPBCWXIAGA-UHFFFAOYSA-N	-1	0	296.326	3.251	20	30		CGEDRM
C=CCCCSCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736102779	572768443	/nfs/dbraw/zinc/76/84/43/572768443.db2.gz	YRERIMLHEIWNQS-UHFFFAOYSA-N	-1	0	281.377	3.212	20	30		CGEDRM
C=CCCC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC000736098167	572769192	/nfs/dbraw/zinc/76/91/92/572769192.db2.gz	UAFQIHFOIIEGLB-UHFFFAOYSA-N	-1	0	261.321	3.413	20	30		CGEDRM
C[C@@H](C#N)Oc1ccc(/C=C\c2ccc(C(=O)[O-])cn2)cc1	ZINC000736201509	572772686	/nfs/dbraw/zinc/77/26/86/572772686.db2.gz	HNMXUDAXEGKJAC-DWMUBGRBSA-N	-1	0	294.310	3.241	20	30		CGEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)s1	ZINC000748002854	572957320	/nfs/dbraw/zinc/95/73/20/572957320.db2.gz	SOTMHZNHSHLIBQ-UHFFFAOYSA-N	-1	0	272.329	3.195	20	30		CGEDRM
O=C1c2cccc(F)c2C/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000748146485	572963368	/nfs/dbraw/zinc/96/33/68/572963368.db2.gz	IUOOFRAYVPDYRW-UXBLZVDNSA-N	-1	0	299.257	3.262	20	30		CGEDRM
[O-]c1c(F)cc(C=NOCc2ccccc2)cc1F	ZINC000749858405	573049213	/nfs/dbraw/zinc/04/92/13/573049213.db2.gz	IVCRUMSCVBEWOI-UHFFFAOYSA-N	-1	0	263.243	3.221	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000163140714	600268428	/nfs/dbraw/zinc/26/84/28/600268428.db2.gz	AXLWQCZWYCFJTK-MRVPVSSYSA-N	-1	0	282.727	3.124	20	30		CGEDRM
C=CCCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000825670993	601126601	/nfs/dbraw/zinc/12/66/01/601126601.db2.gz	ADKGFIUYTQDDQJ-UHFFFAOYSA-N	-1	0	268.696	3.300	20	30		CGEDRM
CCCCC[C@@H](/N=C\c1cccc(OCC)c1O)C(=O)[O-]	ZINC000829311397	601365322	/nfs/dbraw/zinc/36/53/22/601365322.db2.gz	FHLCYPJLWYFGLT-GPLLRDDGSA-N	-1	0	293.363	3.243	20	30		CGEDRM
N#CC1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCCCC1	ZINC000833064933	601403686	/nfs/dbraw/zinc/40/36/86/601403686.db2.gz	PANWSQJXRYYJIH-UHFFFAOYSA-N	-1	0	297.314	3.160	20	30		CGEDRM
C=CCCCCCN(C)C(=O)NCC1(C(=O)[O-])CCCC1	ZINC000825671237	601423455	/nfs/dbraw/zinc/42/34/55/601423455.db2.gz	ICEODTNVIAOGFK-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
CCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000830059937	601445222	/nfs/dbraw/zinc/44/52/22/601445222.db2.gz	TXIXCNPPXGODHI-UXBLZVDNSA-N	-1	0	285.299	3.008	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000825671136	601450710	/nfs/dbraw/zinc/45/07/10/601450710.db2.gz	DNXQVZKTOMPPBZ-UHFFFAOYSA-N	-1	0	266.272	3.210	20	30		CGEDRM
O=C([O-])c1ccccc1C=NNCc1cccc(Cl)c1	ZINC000756827526	601626254	/nfs/dbraw/zinc/62/62/54/601626254.db2.gz	PKEJWXYCYVTMQK-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2ccc(Cl)cc2Cl)c[nH]1	ZINC000814751296	601796394	/nfs/dbraw/zinc/79/63/94/601796394.db2.gz	KTYNMHCRTUIATE-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
N#Cc1cc(F)ccc1NC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000831117921	603201652	/nfs/dbraw/zinc/20/16/52/603201652.db2.gz	HYWSFLUHPUFYAV-OAHLLOKOSA-N	-1	0	299.305	3.118	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2c(C)cccc2Cl)c1=O	ZINC000899351654	620658869	/nfs/dbraw/zinc/65/88/69/620658869.db2.gz	QGEKECGTJPUVKS-NSHDSACASA-N	-1	0	260.724	3.010	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000823491213	604048219	/nfs/dbraw/zinc/04/82/19/604048219.db2.gz	SJUIBYFDNDLUAI-UHFFFAOYSA-N	-1	0	274.320	3.483	20	30		CGEDRM
N#Cc1ccc(N2CCC[C@H]2CC(=O)[O-])cc1C(F)(F)F	ZINC000042162182	604469712	/nfs/dbraw/zinc/46/97/12/604469712.db2.gz	NXMXXWQPBUKEIB-JTQLQIEISA-N	-1	0	298.264	3.021	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(F)c2)cc1	ZINC000833309604	604628110	/nfs/dbraw/zinc/62/81/10/604628110.db2.gz	CRXSPDYHLLPLIH-WTKPLQERSA-N	-1	0	270.259	3.420	20	30		CGEDRM
C[C@H](CC(=O)[O-])SCC#Cc1cccc(Cl)c1	ZINC000827386580	604788412	/nfs/dbraw/zinc/78/84/12/604788412.db2.gz	VETSUFCCYRQGBF-SNVBAGLBSA-N	-1	0	268.765	3.288	20	30		CGEDRM
C=CCCC[C@@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833374316	605021915	/nfs/dbraw/zinc/02/19/15/605021915.db2.gz	XOWMECJRPUBCPA-SNVBAGLBSA-N	-1	0	280.295	3.426	20	30		CGEDRM
C[C@H]1C/C(=C\c2c[nH]c(C(=O)[O-])c2)C(=O)c2ccccc21	ZINC000833590054	605052324	/nfs/dbraw/zinc/05/23/24/605052324.db2.gz	YPHRYRSZZGLOSG-QVIVLVACSA-N	-1	0	281.311	3.486	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C(C)C	ZINC000162358073	605132503	/nfs/dbraw/zinc/13/25/03/605132503.db2.gz	GNWLHGIXHQDPDW-UHFFFAOYSA-N	-1	0	296.754	3.467	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCCOC1	ZINC000833386453	605155782	/nfs/dbraw/zinc/15/57/82/605155782.db2.gz	GLGVOCBEMDOOBB-SNVBAGLBSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CC(C)C(C)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833386821	605158972	/nfs/dbraw/zinc/15/89/72/605158972.db2.gz	WYTAEHJSPCPVBV-UHFFFAOYSA-N	-1	0	254.717	3.482	20	30		CGEDRM
CC(C)(C#N)CCN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000148095047	605191369	/nfs/dbraw/zinc/19/13/69/605191369.db2.gz	VGHQOSZFLFONIP-LBPRGKRZSA-N	-1	0	272.348	3.005	20	30		CGEDRM
C[C@@]1(C#N)CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1	ZINC000833551485	605417393	/nfs/dbraw/zinc/41/73/93/605417393.db2.gz	MCZVFXUZPQSZNG-HNNXBMFYSA-N	-1	0	292.766	3.164	20	30		CGEDRM
CC(C)N(CCC#N)Cc1cc(C(=O)[O-])ccc1Cl	ZINC000833497019	605837723	/nfs/dbraw/zinc/83/77/23/605837723.db2.gz	WXOMPPCJJWECLJ-UHFFFAOYSA-N	-1	0	280.755	3.162	20	30		CGEDRM
O=C([O-])N1CCCC(N=Nc2cccc3cnccc32)CC1	ZINC000834096983	605992411	/nfs/dbraw/zinc/99/24/11/605992411.db2.gz	KZDJUZXIBYKIAV-UHFFFAOYSA-N	-1	0	298.346	3.167	20	30		CGEDRM
Cc1ccc(CCCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417637	617607557	/nfs/dbraw/zinc/60/75/57/617607557.db2.gz	ZHPMQIXUZJXSRY-UHFFFAOYSA-N	-1	0	283.393	3.012	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)CCCc1ccc(O)c(F)c1	ZINC000890552016	617636040	/nfs/dbraw/zinc/63/60/40/617636040.db2.gz	JJTYBOQWDYXPAY-ZDUSSCGKSA-N	-1	0	277.339	3.031	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cc(F)ccc2F)c1	ZINC000254951606	617689971	/nfs/dbraw/zinc/68/99/71/617689971.db2.gz	CRJNHCDRGAVIKO-IUXPMGMMSA-N	-1	0	292.241	3.198	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1cccc(C(=O)[O-])c1	ZINC000806559004	617719504	/nfs/dbraw/zinc/71/95/04/617719504.db2.gz	RPGSSLYJIQMMKM-KTKRTIGZSA-N	-1	0	282.295	3.290	20	30		CGEDRM
CC(C)(C)[C@H]1CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000807981479	618012334	/nfs/dbraw/zinc/01/23/34/618012334.db2.gz	IEONJHKUEJMGDM-JTQLQIEISA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1cccc(Cl)c1	ZINC000846546723	618092860	/nfs/dbraw/zinc/09/28/60/618092860.db2.gz	YMHMOKCBGCRMAQ-JTQLQIEISA-N	-1	0	267.756	3.240	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1ccccc1CC)C(=O)[O-]	ZINC000900322568	620780956	/nfs/dbraw/zinc/78/09/56/620780956.db2.gz	MHXXRPFZDORMGT-AWEZNQCLSA-N	-1	0	290.363	3.180	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)c([O-])c1	ZINC000255316178	618192812	/nfs/dbraw/zinc/19/28/12/618192812.db2.gz	QYTINPIXEMQAIN-TWGQIWQCSA-N	-1	0	279.295	3.169	20	30		CGEDRM
O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(O)cc1[O-]	ZINC000255542885	618661368	/nfs/dbraw/zinc/66/13/68/618661368.db2.gz	HUGJCLNKDTUEGX-YVMONPNESA-N	-1	0	294.306	3.313	20	30		CGEDRM
N#Cc1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)s1	ZINC000255556492	618670157	/nfs/dbraw/zinc/67/01/57/618670157.db2.gz	TZYQHANNMYIGEV-GLIMQPGKSA-N	-1	0	288.353	3.344	20	30		CGEDRM
Cc1ccc2cc(C(=O)Nc3cc(C#N)ccc3[O-])[nH]c2c1	ZINC000176830643	618742634	/nfs/dbraw/zinc/74/26/34/618742634.db2.gz	MAWQVTHOCHJBSB-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
COC(=O)c1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000255630344	618769007	/nfs/dbraw/zinc/76/90/07/618769007.db2.gz	BYCJANSBCAOSNA-FLIBITNWSA-N	-1	0	282.295	3.075	20	30		CGEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2ccccc2C#N)c1	ZINC000255691278	618777854	/nfs/dbraw/zinc/77/78/54/618777854.db2.gz	BTFRRJWUJPVQPM-CLFYSBASSA-N	-1	0	263.296	3.468	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cccc3cccnc23)cc1	ZINC000013138396	618805381	/nfs/dbraw/zinc/80/53/81/618805381.db2.gz	PNOSERZHRKSFFX-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)C1CC1	ZINC000048474910	619498027	/nfs/dbraw/zinc/49/80/27/619498027.db2.gz	MSMWEENUMATAGB-XFXZXTDPSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518956	619503181	/nfs/dbraw/zinc/50/31/81/619503181.db2.gz	XWUFFRCUJNZGQB-QMMMGPOBSA-N	-1	0	275.757	3.031	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)cc1	ZINC000049134997	619701659	/nfs/dbraw/zinc/70/16/59/619701659.db2.gz	QOSSNTZORUYLOR-NSHDSACASA-N	-1	0	281.377	3.076	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909521786	619830872	/nfs/dbraw/zinc/83/08/72/619830872.db2.gz	XFBPDMQBJDHFPS-LBPRGKRZSA-N	-1	0	289.375	3.491	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CC1=CCOCC1	ZINC000840706825	620085970	/nfs/dbraw/zinc/08/59/70/620085970.db2.gz	KONGIMBLXPLSBF-LZYBPNLTSA-N	-1	0	286.158	3.465	20	30		CGEDRM
Cc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)sn1	ZINC000785452701	620377008	/nfs/dbraw/zinc/37/70/08/620377008.db2.gz	XJFQEWKPFKHMJM-UHFFFAOYSA-N	-1	0	295.751	3.249	20	30		CGEDRM
CS[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000901118083	620834355	/nfs/dbraw/zinc/83/43/55/620834355.db2.gz	FOXKQKPWFDAOTN-CYBMUJFWSA-N	-1	0	278.377	3.458	20	30		CGEDRM
C=C(C)C[C@@H](N[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901682430	620984702	/nfs/dbraw/zinc/98/47/02/620984702.db2.gz	UNLZZZLVYUIWRO-UONOGXRCSA-N	-1	0	297.345	3.262	20	30		CGEDRM
CC(C)(C)c1[n-]n(Cc2ccsc2)c(=O)c1CCC#N	ZINC000902286213	621227943	/nfs/dbraw/zinc/22/79/43/621227943.db2.gz	KMKBTOFXFWJEEL-UHFFFAOYSA-N	-1	0	289.404	3.452	20	30		CGEDRM
C[C@@H]1[C@@](F)(Cl)[C@]1(C)CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000905483407	622077238	/nfs/dbraw/zinc/07/72/38/622077238.db2.gz	HLGUTDIXKXIBHA-FZZIBODNSA-N	-1	0	298.745	3.272	20	30		CGEDRM
CCO[C@@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000905485218	622077346	/nfs/dbraw/zinc/07/73/46/622077346.db2.gz	VPOWQTVWLMLKCN-CYBMUJFWSA-N	-1	0	290.363	3.440	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000907582080	622302155	/nfs/dbraw/zinc/30/21/55/622302155.db2.gz	OUFQRAMTTCTKCN-OFFHKIPUSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=CC1(CC(=O)N[C@](C)(CC)CC(=O)[O-])CCCCC1	ZINC000907579574	622302198	/nfs/dbraw/zinc/30/21/98/622302198.db2.gz	QUJSKKCXHDQYLW-OAHLLOKOSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CC1(CC(=O)N2CCCC[C@H]2CC(=O)[O-])CCCCC1	ZINC000907629729	622304177	/nfs/dbraw/zinc/30/41/77/622304177.db2.gz	SIHYMWWKGPYXLZ-AWEZNQCLSA-N	-1	0	293.407	3.369	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000907681779	622307289	/nfs/dbraw/zinc/30/72/89/622307289.db2.gz	RBFAQOASACGLLX-NWDGAFQWSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21	ZINC000907705026	622308487	/nfs/dbraw/zinc/30/84/87/622308487.db2.gz	SSWPJSQCPCFOLW-KBXIAJHMSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CCCCN(CC)C(=O)CC1CCC(C(=O)[O-])CC1	ZINC000908218188	622336036	/nfs/dbraw/zinc/33/60/36/622336036.db2.gz	CCGIDVBQKHOSJV-UHFFFAOYSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909295126	622413353	/nfs/dbraw/zinc/41/33/53/622413353.db2.gz	PKNGAMNFSKXKOV-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
CCCCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000769511606	625572570	/nfs/dbraw/zinc/57/25/70/625572570.db2.gz	IKJVJIAEUNYQPE-CQSZACIVSA-N	-1	0	283.412	3.450	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2o1	ZINC000054735114	622794449	/nfs/dbraw/zinc/79/44/49/622794449.db2.gz	NRDJRINYVQMQLM-ABZNLYFFSA-N	-1	0	278.267	3.310	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1C#N	ZINC000156669220	622832572	/nfs/dbraw/zinc/83/25/72/622832572.db2.gz	HKCVIBWRXQUSCX-GORDUTHDSA-N	-1	0	297.285	3.308	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2nc(Cl)cs2)c([O-])c1	ZINC000759084694	623520367	/nfs/dbraw/zinc/52/03/67/623520367.db2.gz	PXWLEIFQVIYOHM-PLNGDYQASA-N	-1	0	295.747	3.407	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1	ZINC000238117764	624000432	/nfs/dbraw/zinc/00/04/32/624000432.db2.gz	WNZKNVZZVRUPRS-UHFFFAOYSA-N	-1	0	295.338	3.066	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc(F)cc2F)cc1	ZINC000916240621	624123753	/nfs/dbraw/zinc/12/37/53/624123753.db2.gz	IKVBPSJNXJUYHX-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2c[nH]c3ccccc23)c1	ZINC000916255180	624125736	/nfs/dbraw/zinc/12/57/36/624125736.db2.gz	IACNCFCSFBCIKO-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2ccc(OCC(=O)[O-])cc2)c1	ZINC000916346691	624148186	/nfs/dbraw/zinc/14/81/86/624148186.db2.gz	PARAWRUPEOWZQC-UHFFFAOYSA-N	-1	0	298.342	3.213	20	30		CGEDRM
O=C([O-])COc1cccc(C(=O)/C=C/c2cccs2)c1	ZINC000008322878	625809935	/nfs/dbraw/zinc/80/99/35/625809935.db2.gz	UVXAJUZFHNBPTC-VOTSOKGWSA-N	-1	0	288.324	3.108	20	30		CGEDRM
C[C@H]1Cc2ccccc2C1N=Nc1ccc(C(=O)[O-])cc1	ZINC000751128116	626376927	/nfs/dbraw/zinc/37/69/27/626376927.db2.gz	WIVAEUREVKSZFU-NSHDSACASA-N	-1	0	280.327	3.393	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1cccc(Cl)c1	ZINC000751131422	626376997	/nfs/dbraw/zinc/37/69/97/626376997.db2.gz	POZDSLZQFHFQFO-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
CN1CCc2cc(/C=C\C(=O)c3ccccc3[O-])ccc21	ZINC000751535201	626395177	/nfs/dbraw/zinc/39/51/77/626395177.db2.gz	MSWCVKBLDBZYOJ-CLFYSBASSA-N	-1	0	279.339	3.281	20	30		CGEDRM
CC1(C)CCC[C@@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000752723748	626435959	/nfs/dbraw/zinc/43/59/59/626435959.db2.gz	NYQBHWTWVAJGCL-SECBINFHSA-N	-1	0	282.775	3.450	20	30		CGEDRM
CCCCCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755616276	626631589	/nfs/dbraw/zinc/63/15/89/626631589.db2.gz	BBTPCBKLKBFQJO-UHFFFAOYSA-N	-1	0	275.377	3.099	20	30		CGEDRM
C[C@@H](CCCC(F)(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000756796233	626733163	/nfs/dbraw/zinc/73/31/63/626733163.db2.gz	YWQOKAJDRKNEHP-YFKPBYRVSA-N	-1	0	283.187	3.124	20	30		CGEDRM
N#CCOc1cccc(/C=C/C(=O)c2cc(F)ccc2[O-])c1	ZINC000757467704	626780641	/nfs/dbraw/zinc/78/06/41/626780641.db2.gz	KPEUJNNHCWGTHG-GQCTYLIASA-N	-1	0	297.285	3.330	20	30		CGEDRM
O=c1[n-]c(N=NC=CCc2ccco2)nc2ccccc12	ZINC000757585870	626790995	/nfs/dbraw/zinc/79/09/95/626790995.db2.gz	QVTVWYHYEFVWNZ-QKYNCGQJSA-N	-1	0	280.287	3.040	20	30		CGEDRM
O=C(/C=C\c1cccc(-n2cccn2)c1)c1ccccc1[O-]	ZINC000760263369	626950307	/nfs/dbraw/zinc/95/03/07/626950307.db2.gz	GUSPQEFICYLXSR-KTKRTIGZSA-N	-1	0	290.322	3.474	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c[nH]c3cccc(F)c23)cc1	ZINC000763336971	627152644	/nfs/dbraw/zinc/15/26/44/627152644.db2.gz	ARLUEUOSZFRLAH-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
O=C([O-])c1ccccc1C=NNCc1ccc(Cl)cc1	ZINC000764719247	627220196	/nfs/dbraw/zinc/22/01/96/627220196.db2.gz	VNPBQRHIJXKASS-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1ccccc1N(C)C	ZINC000769570694	627567528	/nfs/dbraw/zinc/56/75/28/627567528.db2.gz	VEDFENJLCPATIT-UHFFFAOYSA-N	-1	0	297.358	3.287	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])ccc1O	ZINC000772807170	627824559	/nfs/dbraw/zinc/82/45/59/627824559.db2.gz	PWLFCTHGRHAYCJ-FARCUNLSSA-N	-1	0	299.282	3.211	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C\c1cc([O-])ccc1[N+](=O)[O-])C2=O	ZINC000772808705	627825294	/nfs/dbraw/zinc/82/52/94/627825294.db2.gz	WCXYKRWZSFMREX-MDWZMJQESA-N	-1	0	295.294	3.431	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Oc3ccc(F)cc3C2=O)c1	ZINC000774136495	627949520	/nfs/dbraw/zinc/94/95/20/627949520.db2.gz	BQEFNEUXKKBCGQ-VGOFMYFVSA-N	-1	0	284.242	3.140	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOC1CCOCC1	ZINC000774467746	627994201	/nfs/dbraw/zinc/99/42/01/627994201.db2.gz	GCCGYWIMKRTBMC-UHFFFAOYSA-N	-1	0	290.146	3.229	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000776192876	628178996	/nfs/dbraw/zinc/17/89/96/628178996.db2.gz	ULFYUNACEOHJDU-GQCTYLIASA-N	-1	0	298.298	3.154	20	30		CGEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OC1CCCCC1	ZINC000779320421	628407727	/nfs/dbraw/zinc/40/77/27/628407727.db2.gz	KCWXZZYKXVICQU-CQSZACIVSA-N	-1	0	284.400	3.338	20	30		CGEDRM
C[C@@H]1CC(C(=O)Nc2cc(C#N)ccc2[O-])C[C@@H](C)C1	ZINC000780605638	628504353	/nfs/dbraw/zinc/50/43/53/628504353.db2.gz	WSKONTUQVIZSTN-QWRGUYRKSA-N	-1	0	272.348	3.275	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)o1	ZINC000782206756	628624798	/nfs/dbraw/zinc/62/47/98/628624798.db2.gz	KDFCGLKODONBMS-SNAWJCMRSA-N	-1	0	276.313	3.498	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCCS2)c1	ZINC000783681319	628738668	/nfs/dbraw/zinc/73/86/68/628738668.db2.gz	CFIIFSSILAVTQP-ZBQKXELDSA-N	-1	0	280.349	3.005	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1[O-]	ZINC000787682108	629022033	/nfs/dbraw/zinc/02/20/33/629022033.db2.gz	VUAPMAUTRGZBJA-JTQLQIEISA-N	-1	0	265.740	3.226	20	30		CGEDRM
O=[N+]([O-])c1c(F)cccc1N=NCc1cccc(F)c1O	ZINC000790311059	629203592	/nfs/dbraw/zinc/20/35/92/629203592.db2.gz	VZHXTGDEHFLARA-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
C#C[C@@H](CCC)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000791737696	629297749	/nfs/dbraw/zinc/29/77/49/629297749.db2.gz	GRJJWWVRVRHWKD-VIFPVBQESA-N	-1	0	286.158	3.231	20	30		CGEDRM
C[C@@]1(CN=Nc2ccccc2C(=O)[O-])CCCS1	ZINC000792942525	629396649	/nfs/dbraw/zinc/39/66/49/629396649.db2.gz	UHUWLRUEFMSFSY-ZDUSSCGKSA-N	-1	0	264.350	3.068	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@@H](C(C)(C)C)CC1)C(=O)[O-]	ZINC000793056881	629406259	/nfs/dbraw/zinc/40/62/59/629406259.db2.gz	YFCWQGWTYIDYQG-YPMHNXCESA-N	-1	0	268.401	3.422	20	30		CGEDRM
C[C@H](NN=Cc1cc(F)c([O-])c(F)c1)C(C)(C)C	ZINC000793112485	629412332	/nfs/dbraw/zinc/41/23/32/629412332.db2.gz	SXNPSUFIMKKVSJ-QMMMGPOBSA-N	-1	0	256.296	3.029	20	30		CGEDRM
CC[C@@H](C)CON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000793159334	629418030	/nfs/dbraw/zinc/41/80/30/629418030.db2.gz	NIFOLVMSIBWVAO-RISCZKNCSA-N	-1	0	275.348	3.415	20	30		CGEDRM
CC(N=Nc1ccccc1C(=O)[O-])C1CC(F)(F)C1	ZINC000863074512	629467358	/nfs/dbraw/zinc/46/73/58/629467358.db2.gz	DFMVEWDHFVJQNF-UHFFFAOYSA-N	-1	0	268.263	3.218	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1	ZINC000794729273	629573103	/nfs/dbraw/zinc/57/31/03/629573103.db2.gz	ZZFROUNLEZRTFH-KPKJPENVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccco1	ZINC000794940557	629602911	/nfs/dbraw/zinc/60/29/11/629602911.db2.gz	ADXWFUZSNQAEMI-WAYWQWQTSA-N	-1	0	270.284	3.491	20	30		CGEDRM
CCCCCCCC(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000864167526	629787556	/nfs/dbraw/zinc/78/75/56/629787556.db2.gz	HMLAOLSBPNZBGE-OAHLLOKOSA-N	-1	0	293.363	3.151	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](CCCC)C(C)C)C(=O)[O-]	ZINC000864186809	629794327	/nfs/dbraw/zinc/79/43/27/629794327.db2.gz	XYTTVBMMLGUPPE-NEPJUHHUSA-N	-1	0	289.803	3.161	20	30		CGEDRM
O=C([O-])[C@H]1C/C(=C\c2ccc(F)nc2)C(=O)c2ccccc21	ZINC000806559453	630566686	/nfs/dbraw/zinc/56/66/86/630566686.db2.gz	BKXLAJMHEWLFSE-OIOXUXFSSA-N	-1	0	297.285	3.059	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C\c1cc(F)c([O-])c(F)c1)C2	ZINC000811696672	631111384	/nfs/dbraw/zinc/11/13/84/631111384.db2.gz	VQROBHYZYIBAQR-BASWHVEKSA-N	-1	0	297.260	3.364	20	30		CGEDRM
CC(C)OCCON=Cc1cc(Cl)c([O-])cc1Cl	ZINC000812237637	631228230	/nfs/dbraw/zinc/22/82/30/631228230.db2.gz	AHOINSFVUDOXMB-UHFFFAOYSA-N	-1	0	292.162	3.475	20	30		CGEDRM
Cc1sccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000814687714	631624136	/nfs/dbraw/zinc/62/41/36/631624136.db2.gz	SBTQUOFWZNYDJE-UHFFFAOYSA-N	-1	0	260.318	3.201	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814815347	631648180	/nfs/dbraw/zinc/64/81/80/631648180.db2.gz	UYJWDNJRWZMGHC-NXEZZACHSA-N	-1	0	264.300	3.114	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccc(F)cc1F	ZINC000814829649	631649891	/nfs/dbraw/zinc/64/98/91/631649891.db2.gz	DRDOTQRIHLCFRC-UHFFFAOYSA-N	-1	0	296.317	3.075	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)nc1	ZINC000814831422	631650892	/nfs/dbraw/zinc/65/08/92/631650892.db2.gz	AYNMPOZZZNVCNA-NEPJUHHUSA-N	-1	0	289.379	3.315	20	30		CGEDRM
Cc1ccnc(N=NC2CCCc3cc(C(=O)[O-])ccc32)c1	ZINC000814868467	631659484	/nfs/dbraw/zinc/65/94/84/631659484.db2.gz	UWSRPMHJOANFAW-UHFFFAOYSA-N	-1	0	295.342	3.241	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2c(Cl)cc(F)cc2Cl)C1	ZINC000814891496	631667780	/nfs/dbraw/zinc/66/77/80/631667780.db2.gz	WVGVMFDVLKIDOJ-UHFFFAOYSA-N	-1	0	291.109	3.395	20	30		CGEDRM
CSCCON=C(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814922013	631682776	/nfs/dbraw/zinc/68/27/76/631682776.db2.gz	PEXLUGKJAFZPKA-JTQLQIEISA-N	-1	0	261.387	3.023	20	30		CGEDRM
CC(=NOC/C=C/Cl)[C@H](C)CCCCC(=O)[O-]	ZINC000814934652	631689486	/nfs/dbraw/zinc/68/94/86/631689486.db2.gz	XPTFHSNUMADTDA-MBNYTRFMSA-N	-1	0	261.749	3.413	20	30		CGEDRM
C[C@@H]1C(=NOC2CCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814936511	631690807	/nfs/dbraw/zinc/69/08/07/631690807.db2.gz	WLSPQUMQCYUYFS-MWLCHTKSSA-N	-1	0	253.342	3.068	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1csc(C(=O)[O-])c1	ZINC000814939193	631692695	/nfs/dbraw/zinc/69/26/95/631692695.db2.gz	HMUCCOJWKKJHCC-QMMMGPOBSA-N	-1	0	255.339	3.233	20	30		CGEDRM
CC(C)(CC(=O)Nc1cc(C#N)ccc1[O-])C1CC1	ZINC000815877926	631829620	/nfs/dbraw/zinc/82/96/20/631829620.db2.gz	LYEUFNRSAXXXLU-UHFFFAOYSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C=CCC[C@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000823365851	633093254	/nfs/dbraw/zinc/09/32/54/633093254.db2.gz	OWGQXCZHBPPEFD-ZDUSSCGKSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C#C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000824263835	633219886	/nfs/dbraw/zinc/21/98/86/633219886.db2.gz	GXJPJOIXLKLBLT-SECBINFHSA-N	-1	0	298.169	3.184	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000831034139	633911819	/nfs/dbraw/zinc/91/18/19/633911819.db2.gz	YRQMZWARKMDEBS-KGLIPLIRSA-N	-1	0	298.427	3.099	20	30		CGEDRM
C[C@@H]1CC[C@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000834966547	634296462	/nfs/dbraw/zinc/29/64/62/634296462.db2.gz	JXOJVTJZBYUYLC-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H](C3CC3)C2)cn1	ZINC000835006824	634311665	/nfs/dbraw/zinc/31/16/65/634311665.db2.gz	KEYYANPVBHHDNL-NSHDSACASA-N	-1	0	273.336	3.148	20	30		CGEDRM
CC1(C)CCCC(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835006936	634311881	/nfs/dbraw/zinc/31/18/81/634311881.db2.gz	MIEFCZQVLHGUSH-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])nc1)C1CCCCC1	ZINC000835006231	634311918	/nfs/dbraw/zinc/31/19/18/634311918.db2.gz	BNXSZKQKUVTHRV-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC(C)CCCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008943	634313264	/nfs/dbraw/zinc/31/32/64/634313264.db2.gz	PHFXBBYNVARMGT-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC23CCC3)cc1F	ZINC000835009708	634314292	/nfs/dbraw/zinc/31/42/92/634314292.db2.gz	YXOCOPIFPAZEHK-UHFFFAOYSA-N	-1	0	262.284	3.256	20	30		CGEDRM
CC1CC(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)C1	ZINC000877879365	635249694	/nfs/dbraw/zinc/24/96/94/635249694.db2.gz	ZEKWAGNBOMZDTR-UHFFFAOYSA-N	-1	0	275.396	3.388	20	30		CGEDRM
Cc1c(N=NC[C@@H]2CCCSC2)cccc1C(=O)[O-]	ZINC000844623624	635945426	/nfs/dbraw/zinc/94/54/26/635945426.db2.gz	ORUKPOXHWBLHFH-NSHDSACASA-N	-1	0	278.377	3.234	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1	ZINC000845886215	636114418	/nfs/dbraw/zinc/11/44/18/636114418.db2.gz	DGTPUNLXIQGJOS-CHWSQXEVSA-N	-1	0	270.332	3.029	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000846537619	636195435	/nfs/dbraw/zinc/19/54/35/636195435.db2.gz	MCXDSJZYYCVLQP-UHFFFAOYSA-N	-1	0	283.755	3.121	20	30		CGEDRM
O=C(/C=C\c1ccc(F)cc1F)c1ccc(O)cc1[O-]	ZINC000213368507	636449901	/nfs/dbraw/zinc/44/99/01/636449901.db2.gz	JQBFSNVYXXXQLY-KXFIGUGUSA-N	-1	0	276.238	3.272	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2cccc(F)c2)c1	ZINC000026805179	636547075	/nfs/dbraw/zinc/54/70/75/636547075.db2.gz	BAAXEIDWOVPXEB-LICLKQGHSA-N	-1	0	288.278	3.101	20	30		CGEDRM
C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(CC(=O)[O-])cc2)o1	ZINC000848416045	636571420	/nfs/dbraw/zinc/57/14/20/636571420.db2.gz	XBHIOVAZFHYWLE-IAQYHMDHSA-N	-1	0	298.342	3.476	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1	ZINC000086054275	636780295	/nfs/dbraw/zinc/78/02/95/636780295.db2.gz	BAFOXNOUKAKFJW-QXMHVHEDSA-N	-1	0	293.388	3.319	20	30		CGEDRM
CC[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1	ZINC000086054748	636780302	/nfs/dbraw/zinc/78/03/02/636780302.db2.gz	DKWBGSULLAORKU-CQSZACIVSA-N	-1	0	295.404	3.409	20	30		CGEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)CCCCCCCC	ZINC000850913777	637185011	/nfs/dbraw/zinc/18/50/11/637185011.db2.gz	VXADYXUDHTUVGC-CYBMUJFWSA-N	-1	0	289.441	3.005	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000851617401	637460239	/nfs/dbraw/zinc/46/02/39/637460239.db2.gz	YHMPBZDTYGGMTO-TUBUQKNSSA-N	-1	0	295.423	3.449	20	30		CGEDRM
CC(=O)c1cc(Cl)cc(CN([C@@H](C)C#N)C2CC2)c1O	ZINC000852479004	637658760	/nfs/dbraw/zinc/65/87/60/637658760.db2.gz	CDHZZZWVVKUVHE-VIFPVBQESA-N	-1	0	292.766	3.125	20	30		CGEDRM
O=C([O-])c1ccc(N=NCC2CCSCC2)cc1F	ZINC000853354638	637823429	/nfs/dbraw/zinc/82/34/29/637823429.db2.gz	QESLFIFZEVSSMU-UHFFFAOYSA-N	-1	0	282.340	3.065	20	30		CGEDRM
Cc1c(N=NC(C)CSCCF)cccc1C(=O)[O-]	ZINC000853370692	637826738	/nfs/dbraw/zinc/82/67/38/637826738.db2.gz	UCKLAQRLOSHZDI-UHFFFAOYSA-N	-1	0	284.356	3.184	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1coc2ccccc12	ZINC000113651912	638248638	/nfs/dbraw/zinc/24/86/38/638248638.db2.gz	GFIDGWHILLKQSF-CYBMUJFWSA-N	-1	0	298.342	3.062	20	30		CGEDRM
C=CCCO[N-]C(=O)CSc1ccccc1Cl	ZINC000856028479	638285818	/nfs/dbraw/zinc/28/58/18/638285818.db2.gz	IJMLBAUEWMCJNY-UHFFFAOYSA-N	-1	0	271.769	3.056	20	30		CGEDRM
N#CC(C(=O)C12CC(C1)C2)=C([O-])c1cc2c(s1)CCCC2	ZINC000860852995	639443915	/nfs/dbraw/zinc/44/39/15/639443915.db2.gz	CSWGXTOCZSISOP-JKIHBJTHSA-N	-1	0	299.395	3.319	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c1	ZINC000042271619	639914763	/nfs/dbraw/zinc/91/47/63/639914763.db2.gz	CMNZZBOWJZUKCF-ZDUSSCGKSA-N	-1	0	293.388	3.305	20	30		CGEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccs2)c1C	ZINC000048427086	640052385	/nfs/dbraw/zinc/05/23/85/640052385.db2.gz	INBAKIRDOQAXQF-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C1(c2cccc(C)c2)CC1	ZINC000049004183	640079472	/nfs/dbraw/zinc/07/94/72/640079472.db2.gz	OWNWYZRRRUNBRX-UHFFFAOYSA-N	-1	0	295.404	3.113	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)c1	ZINC000049135128	640084366	/nfs/dbraw/zinc/08/43/66/640084366.db2.gz	PIWKUHAQIZSLAQ-NSHDSACASA-N	-1	0	281.377	3.076	20	30		CGEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1)C1CC1	ZINC000049135145	640084661	/nfs/dbraw/zinc/08/46/61/640084661.db2.gz	OIEMWKOQLRDYCS-VMPCVLLUSA-N	-1	0	293.388	3.380	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000078323534	640301439	/nfs/dbraw/zinc/30/14/39/640301439.db2.gz	BXTUUTJCKNFZNY-LLVKDONJSA-N	-1	0	283.393	3.385	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1csc2ccccc12	ZINC000078777583	640341601	/nfs/dbraw/zinc/34/16/01/640341601.db2.gz	YSLANKKYXXXABJ-UHFFFAOYSA-N	-1	0	297.401	3.336	20	30		CGEDRM
N#Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)nc1	ZINC001250462278	805631372	/nfs/dbraw/zinc/63/13/72/805631372.db2.gz	TUXXMRGNGHQOGL-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ccc(F)c(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001250635182	805740363	/nfs/dbraw/zinc/74/03/63/805740363.db2.gz	ROKYMTUMFXLFMA-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
CCOc1ccc2[nH]c(-c3cc(C#N)ccc3[O-])nc2c1	ZINC001251180077	805860242	/nfs/dbraw/zinc/86/02/42/805860242.db2.gz	AQDLGGKZWDSNFD-UHFFFAOYSA-N	-1	0	279.299	3.206	20	30		CGEDRM
C=CCC[C@@H](O)CNc1c([S-])cccc1Cl	ZINC001252613305	806089976	/nfs/dbraw/zinc/08/99/76/806089976.db2.gz	WRJMWDCWJDOLDN-SECBINFHSA-N	-1	0	257.786	3.368	20	30		CGEDRM
N#Cc1sccc1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC001252963233	806140751	/nfs/dbraw/zinc/14/07/51/806140751.db2.gz	GDHXCBVAMAZFTP-VQHVLOKHSA-N	-1	0	290.369	3.032	20	30		CGEDRM
N#Cc1cc(-c2nnc(-c3cccc(F)c3)o2)ccc1[O-]	ZINC001254212213	806366156	/nfs/dbraw/zinc/36/61/56/806366156.db2.gz	BZKOIWCDJBOOSN-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000176393658	799095720	/nfs/dbraw/zinc/09/57/20/799095720.db2.gz	MYPUROVPRBYKIX-PWSUYJOCSA-N	-1	0	258.321	3.029	20	30		CGEDRM
COc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000588495766	799701566	/nfs/dbraw/zinc/70/15/66/799701566.db2.gz	RHAJSXCJMFZEIV-WAYWQWQTSA-N	-1	0	260.314	3.358	20	30		CGEDRM
N#Cc1ccc(C=CC(=O)c2sccc2[O-])s1	ZINC000588598843	799719843	/nfs/dbraw/zinc/71/98/43/799719843.db2.gz	HNUGZIRCMAKOLQ-ARJAWSKDSA-N	-1	0	261.327	3.283	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC001164413856	806945748	/nfs/dbraw/zinc/94/57/48/806945748.db2.gz	JEALUTNYVGPRLM-BYNSBNAKSA-N	-1	0	283.412	3.086	20	30		CGEDRM
CCCCCCC[C@@H](CCC)N[C@@H]1SC(=O)[N-]C1=O	ZINC001172501388	808357948	/nfs/dbraw/zinc/35/79/48/808357948.db2.gz	HFJXGYFADCRKDZ-DGCLKSJQSA-N	-1	0	286.441	3.414	20	30		CGEDRM
COc1ccc(-c2ccccc2/C=C/C(=O)[O-])c(C#N)c1	ZINC001243728709	802969044	/nfs/dbraw/zinc/96/90/44/802969044.db2.gz	HXMALRNJAPNGPA-RMKNXTFCSA-N	-1	0	279.295	3.332	20	30		CGEDRM
COc1cccc(-c2cc(F)c([O-])c(F)c2)c1C#N	ZINC001244097407	803184823	/nfs/dbraw/zinc/18/48/23/803184823.db2.gz	OXUJXFGADWXUGC-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
Nc1c(F)c(F)c(F)cc1-c1cccc(/C=N/[O-])c1	ZINC001244172531	803222987	/nfs/dbraw/zinc/22/29/87/803222987.db2.gz	PFYBIMVKQRJJKG-NGYBGAFCSA-N	-1	0	266.222	3.161	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(CCC(=O)[O-])cc1)CCC2	ZINC001244189444	803234311	/nfs/dbraw/zinc/23/43/11/803234311.db2.gz	NAYYVRWGSQJNTO-UHFFFAOYSA-N	-1	0	292.338	3.126	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(CCC(=O)[O-])cc1	ZINC001244191864	803236547	/nfs/dbraw/zinc/23/65/47/803236547.db2.gz	TZOQLMPSGRPJQR-UHFFFAOYSA-N	-1	0	291.310	3.070	20	30		CGEDRM
O=C([O-])CCc1ccc(-c2ccccc2C=NO)cc1	ZINC001244193673	803236913	/nfs/dbraw/zinc/23/69/13/803236913.db2.gz	OCNXATCPGRIZOH-UHFFFAOYSA-N	-1	0	269.300	3.179	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc(C#N)c1	ZINC001244421900	803362640	/nfs/dbraw/zinc/36/26/40/803362640.db2.gz	OGYVZNRGVADLIT-UHFFFAOYSA-N	-1	0	292.294	3.194	20	30		CGEDRM
CCc1nnc(-c2ccc(Cl)cc2[O-])c(C#N)c1CC	ZINC001244468268	803384367	/nfs/dbraw/zinc/38/43/67/803384367.db2.gz	LEAGICLHIYSDRB-UHFFFAOYSA-N	-1	0	287.750	3.499	20	30		CGEDRM
Cc1nnc(-c2cc(F)c([O-])c(Cl)c2)c(C#N)c1C	ZINC001244500510	803405775	/nfs/dbraw/zinc/40/57/75/803405775.db2.gz	NSPDADRUJCEKBT-UHFFFAOYSA-N	-1	0	277.686	3.130	20	30		CGEDRM
Cc1nccc(-c2cc(C(=O)[O-])c(Cl)cc2F)c1C#N	ZINC001244615470	803465128	/nfs/dbraw/zinc/46/51/28/803465128.db2.gz	RNWGFGMIHTZVGF-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1ccc(-c2ccc(Cl)c([O-])c2F)nc1F	ZINC001244631704	803474706	/nfs/dbraw/zinc/47/47/06/803474706.db2.gz	XDMBPFPSIRTWEX-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#CCCc1ccc(-c2cc(C(=O)[O-])cnc2F)cc1	ZINC001244760423	803522669	/nfs/dbraw/zinc/52/26/69/803522669.db2.gz	NTBAPNCKKIVBFF-UHFFFAOYSA-N	-1	0	270.263	3.042	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cccc(C(=O)[O-])c2C)n1	ZINC001245297864	803694074	/nfs/dbraw/zinc/69/40/74/803694074.db2.gz	STKSKZVXJUFJLY-UHFFFAOYSA-N	-1	0	299.355	3.052	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cccc(F)c1C#N	ZINC001245301182	803695749	/nfs/dbraw/zinc/69/57/49/803695749.db2.gz	OGGJWIJTBNRYCL-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#CCc1cc(-c2cc(CC(=O)[O-])ccc2F)ccc1C#N	ZINC001245318362	803699781	/nfs/dbraw/zinc/69/97/81/803699781.db2.gz	IVTBSUPADAYRIQ-UHFFFAOYSA-N	-1	0	294.285	3.058	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245371388	803717327	/nfs/dbraw/zinc/71/73/27/803717327.db2.gz	PPXRMYDKLOZTRU-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1ccc(-c2ccc(C(=O)[O-])cc2Cl)c(C#N)n1	ZINC001245372842	803718203	/nfs/dbraw/zinc/71/82/03/803718203.db2.gz	ZTBSOBDPEQNNHE-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1O	ZINC001211966487	814962973	/nfs/dbraw/zinc/96/29/73/814962973.db2.gz	AJNZTYLIYUWDHB-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(F)cc(F)c1[O-]	ZINC001137810834	803775991	/nfs/dbraw/zinc/77/59/91/803775991.db2.gz	XWVGDLIWBXETNR-SECBINFHSA-N	-1	0	269.291	3.145	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1c([O-])cccc1F	ZINC001245653738	803884063	/nfs/dbraw/zinc/88/40/63/803884063.db2.gz	LCYUCITWCYCXKZ-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#CCc1cccc(-c2cc(Cl)c([O-])cc2F)n1	ZINC001245667071	803896767	/nfs/dbraw/zinc/89/67/67/803896767.db2.gz	GNYMXUYWZSCOGK-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3ccc(Cl)cc3)cc2=O)cn1	ZINC001245911684	804040432	/nfs/dbraw/zinc/04/04/32/804040432.db2.gz	DGNOCCRELXRAQY-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(Cc3ccccc3F)cc2=O)cc1	ZINC001245932807	804064021	/nfs/dbraw/zinc/06/40/21/804064021.db2.gz	OCUOKSSZJNQJDZ-UHFFFAOYSA-N	-1	0	293.301	3.179	20	30		CGEDRM
N#CC1CN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1	ZINC001141348958	804634345	/nfs/dbraw/zinc/63/43/45/804634345.db2.gz	ZTJLMMVZURTDFR-UHFFFAOYSA-N	-1	0	292.338	3.007	20	30		CGEDRM
N#Cc1cc(NC(=O)/C=C/c2ccccc2)c([O-])cc1F	ZINC001142869490	804777773	/nfs/dbraw/zinc/77/77/73/804777773.db2.gz	RDVJDJBOTXQTPU-VOTSOKGWSA-N	-1	0	282.274	3.055	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccoc32)cc1	ZINC001258131560	807318599	/nfs/dbraw/zinc/31/85/99/807318599.db2.gz	ARVATHRGPZMOIW-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
C=Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1	ZINC001258266531	807387860	/nfs/dbraw/zinc/38/78/60/807387860.db2.gz	MWLGZBOZUYMRNI-UHFFFAOYSA-N	-1	0	284.340	3.002	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1	ZINC001260068593	807696471	/nfs/dbraw/zinc/69/64/71/807696471.db2.gz	KSIYHGIIYQGIFX-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cn1cc(-c2ccc(Nc3scc([O-])c3C#N)cc2)cn1	ZINC001174378126	808984233	/nfs/dbraw/zinc/98/42/33/808984233.db2.gz	OWCRSICFQJJQTG-UHFFFAOYSA-N	-1	0	296.355	3.469	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174496409	809042990	/nfs/dbraw/zinc/04/29/90/809042990.db2.gz	KUKXODSMYMEZQA-VMPITWQZSA-N	-1	0	294.310	3.408	20	30		CGEDRM
N#Cc1ccccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496777	809043670	/nfs/dbraw/zinc/04/36/70/809043670.db2.gz	SBANTNNWBXOLSO-CMDGGOBGSA-N	-1	0	264.284	3.400	20	30		CGEDRM
COc1cc(Nc2scc(C)c2C#N)ccc1C(=O)[O-]	ZINC001174679251	809127924	/nfs/dbraw/zinc/12/79/24/809127924.db2.gz	QNICFMZYFORAPB-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
COc1cc(Nc2cc(C#N)ccc2C)ccc1C(=O)[O-]	ZINC001174685267	809129691	/nfs/dbraw/zinc/12/96/91/809129691.db2.gz	OFDDWZXEZZPHDI-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(CC(=O)[O-])cc2)c1F	ZINC001174953865	809213738	/nfs/dbraw/zinc/21/37/38/809213738.db2.gz	QZRFCXNSUNLDEJ-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1sccc1C#N	ZINC001174981086	809223762	/nfs/dbraw/zinc/22/37/62/809223762.db2.gz	DLVOEARRPAHULU-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1oc(Nc2ccc(F)c(C(=O)[O-])c2)c(C#N)c1C	ZINC001175215261	809310825	/nfs/dbraw/zinc/31/08/25/809310825.db2.gz	BHEHGRLFMYAKSY-UHFFFAOYSA-N	-1	0	274.251	3.349	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175316302	809352902	/nfs/dbraw/zinc/35/29/02/809352902.db2.gz	JSBUPOIQMFUJOE-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cc(Nc2cccc(C(=O)[O-])c2)ccc1F	ZINC001175329066	809356769	/nfs/dbraw/zinc/35/67/69/809356769.db2.gz	HPQXTKCVBYQPPX-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
Cc1cccc(Nc2cccc(C(=O)[O-])c2)c1C#N	ZINC001175329757	809357303	/nfs/dbraw/zinc/35/73/03/809357303.db2.gz	UUROGXGBWOYTOZ-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1cc(F)c(Nc2cccc(C(=O)[O-])c2)cc1F	ZINC001175329706	809357816	/nfs/dbraw/zinc/35/78/16/809357816.db2.gz	QWCJKNUMZZFYIR-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1ccc2n[nH]cc2c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001175527423	809445348	/nfs/dbraw/zinc/44/53/48/809445348.db2.gz	MRMLHMJKLHVGSX-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC001293502293	809449868	/nfs/dbraw/zinc/44/98/68/809449868.db2.gz	HTNOKPPDICNZOF-MRVPVSSYSA-N	-1	0	273.254	3.105	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	ZINC001300210180	809564208	/nfs/dbraw/zinc/56/42/08/809564208.db2.gz	CGFDBEVQAUXNJI-OLZOCXBDSA-N	-1	0	291.391	3.374	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)cc(C)c1N	ZINC001175934170	809573648	/nfs/dbraw/zinc/57/36/48/809573648.db2.gz	SBBFMXDVJQEKML-UHFFFAOYSA-N	-1	0	259.334	3.268	20	30		CGEDRM
COc1cc(Nc2cccc(F)c2C#N)cc(C(=O)[O-])c1	ZINC001213590937	815306857	/nfs/dbraw/zinc/30/68/57/815306857.db2.gz	MJTSOVNXRZZNTN-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2cc(C#N)ccc2F)cc(C(=O)[O-])c1	ZINC001213592299	815308597	/nfs/dbraw/zinc/30/85/97/815308597.db2.gz	AURRXYUSNNOVND-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1coc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001176592908	809726650	/nfs/dbraw/zinc/72/66/50/809726650.db2.gz	PIZASFIAKBFIMQ-QPJJXVBHSA-N	-1	0	268.272	3.301	20	30		CGEDRM
N#Cc1c(F)c(F)cc(Nc2ccc(C(=O)[O-])cc2)c1F	ZINC001176713784	809747663	/nfs/dbraw/zinc/74/76/63/809747663.db2.gz	PYEKZQXDHKRGCL-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176714268	809748211	/nfs/dbraw/zinc/74/82/11/809748211.db2.gz	ABFDAMMLGOKPOV-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COCOc1ccc(F)cc1Nc1scc([O-])c1C#N	ZINC001176714256	809748530	/nfs/dbraw/zinc/74/85/30/809748530.db2.gz	AFWJQJAKDCVPBE-UHFFFAOYSA-N	-1	0	294.307	3.191	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213627705	815313630	/nfs/dbraw/zinc/31/36/30/815313630.db2.gz	OEJMRGQFTLKXEP-UHFFFAOYSA-N	-1	0	265.312	3.429	20	30		CGEDRM
N#Cc1cc(NC(=O)[C@@H](F)c2ccccc2)c([O-])cc1F	ZINC001180147649	809978227	/nfs/dbraw/zinc/97/82/27/809978227.db2.gz	AGPJYPOMIAXPRS-AWEZNQCLSA-N	-1	0	288.253	3.052	20	30		CGEDRM
CCC1(CC)C[C@H]1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001181887538	810080881	/nfs/dbraw/zinc/08/08/81/810080881.db2.gz	SARDPDLFQFXFMK-JTQLQIEISA-N	-1	0	276.311	3.168	20	30		CGEDRM
N#Cc1ccc(NC(=O)C2CC3(C2)CC(F)(F)C3)c(O)c1	ZINC001184202648	810182416	/nfs/dbraw/zinc/18/24/16/810182416.db2.gz	REXXEPDXPSTYSE-UHFFFAOYSA-N	-1	0	292.285	3.028	20	30		CGEDRM
CCOc1ccc(C)cc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244971	810185346	/nfs/dbraw/zinc/18/53/46/810185346.db2.gz	IIWMXXXOLKQESG-UHFFFAOYSA-N	-1	0	298.362	3.382	20	30		CGEDRM
N#CCN(Cc1ccccc1)C(=O)c1cccc([S-])c1	ZINC001186148955	810317144	/nfs/dbraw/zinc/31/71/44/810317144.db2.gz	KHBMHTHLOYVMDX-UHFFFAOYSA-N	-1	0	282.368	3.141	20	30		CGEDRM
CCOCc1ccc(C(=O)Nc2ccc(O)c(C#N)c2)cc1	ZINC001187103898	810385346	/nfs/dbraw/zinc/38/53/46/810385346.db2.gz	HNBIMTUBGMMNQI-UHFFFAOYSA-N	-1	0	296.326	3.053	20	30		CGEDRM
Cc1ccc(C)c([N-]S(=O)(=O)CC2CCCC2)c1C#N	ZINC001191535165	810723155	/nfs/dbraw/zinc/72/31/55/810723155.db2.gz	GRKCYJHPAUNMSR-UHFFFAOYSA-N	-1	0	292.404	3.107	20	30		CGEDRM
N#Cc1cc(F)c(C(=O)Nc2ccccc2[S-])c(F)c1	ZINC001191936600	810757048	/nfs/dbraw/zinc/75/70/48/810757048.db2.gz	KGWXIKDLHSVXGQ-UHFFFAOYSA-N	-1	0	290.294	3.377	20	30		CGEDRM
Cc1ccccc1C(C)(C)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193519367	810901761	/nfs/dbraw/zinc/90/17/61/810901761.db2.gz	WQHJXBVLWOHKJG-UHFFFAOYSA-N	-1	0	294.354	3.237	20	30		CGEDRM
C#C[C@H](OCCCC[P@@](=O)([O-])O)[C@H](CC)CCCC	ZINC001225019778	816933653	/nfs/dbraw/zinc/93/36/53/816933653.db2.gz	AMXZDWZFELNYRP-KGLIPLIRSA-N	-1	0	290.340	3.179	20	30		CGEDRM
COc1ccc(NC(=S)Nc2cc(C#N)ccc2[O-])cc1	ZINC001195705256	811279900	/nfs/dbraw/zinc/27/99/00/811279900.db2.gz	VHEWWWMOJMUEBP-UHFFFAOYSA-N	-1	0	299.355	3.081	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(C3CCC3)nc2)c([O-])c1	ZINC001195740157	811283200	/nfs/dbraw/zinc/28/32/00/811283200.db2.gz	AJJKHPLRMGRZQW-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
Cc1oc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C#N)c1C	ZINC001199815179	811600689	/nfs/dbraw/zinc/60/06/89/811600689.db2.gz	VTPMBIMWGMUNFY-UHFFFAOYSA-N	-1	0	273.248	3.126	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F	ZINC001201232719	811802857	/nfs/dbraw/zinc/80/28/57/811802857.db2.gz	ULDOEPQIBXUUSS-UHFFFAOYSA-N	-1	0	287.250	3.363	20	30		CGEDRM
CC(C)(C)c1nnc([N-]c2ccc(C#N)cc2F)o1	ZINC001201555990	811903705	/nfs/dbraw/zinc/90/37/05/811903705.db2.gz	RJHNLFQAOGEGRR-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
Cc1nsc(Nc2ccc(F)c(C(=O)[O-])c2F)c1C#N	ZINC001215266282	815501156	/nfs/dbraw/zinc/50/11/56/815501156.db2.gz	NPGMDXJZPATZLP-UHFFFAOYSA-N	-1	0	295.270	3.043	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)c(C#N)c1	ZINC001215282570	815502566	/nfs/dbraw/zinc/50/25/66/815502566.db2.gz	CZJFKTIXLHBRCW-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
Cc1cnc(C)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001203663206	812420582	/nfs/dbraw/zinc/42/05/82/812420582.db2.gz	DFUOAENYXSRJAD-UHFFFAOYSA-N	-1	0	257.268	3.158	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(C#N)c(F)c1	ZINC001204053572	812535936	/nfs/dbraw/zinc/53/59/36/812535936.db2.gz	JQFQCXVZUVTUAG-UHFFFAOYSA-N	-1	0	259.265	3.080	20	30		CGEDRM
Cc1cc(-c2ccc(F)c(C(=O)[O-])c2F)nc(C)c1C#N	ZINC001205081383	812851481	/nfs/dbraw/zinc/85/14/81/812851481.db2.gz	BSIPWHBIQLDONX-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(F)c(F)c(C(=O)[O-])c2)nc1C	ZINC001205996228	813156531	/nfs/dbraw/zinc/15/65/31/813156531.db2.gz	AXBBGJBPZRIZRM-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1csc(C(=O)[O-])c1	ZINC001206303641	813280022	/nfs/dbraw/zinc/28/00/22/813280022.db2.gz	OROAWKLIBYIHAU-UHFFFAOYSA-N	-1	0	277.276	3.133	20	30		CGEDRM
N#Cc1cc(Nc2cc(C(F)(F)F)ccc2[S-])ccn1	ZINC001206612898	813374157	/nfs/dbraw/zinc/37/41/57/813374157.db2.gz	HEBYTIMPXSEUOG-UHFFFAOYSA-N	-1	0	295.289	3.426	20	30		CGEDRM
N#Cc1cc(Nc2ccc3c(c2)OCC3)c([O-])cc1F	ZINC001206700165	813401221	/nfs/dbraw/zinc/40/12/21/813401221.db2.gz	GGASEFPVIXQVLI-UHFFFAOYSA-N	-1	0	270.263	3.081	20	30		CGEDRM
Cc1cc(-c2cc(F)c([O-])cc2F)nc(C)c1C#N	ZINC001206775730	813435174	/nfs/dbraw/zinc/43/51/74/813435174.db2.gz	IJEHVADWARRESQ-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
CCc1cncc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001209221494	813972808	/nfs/dbraw/zinc/97/28/08/813972808.db2.gz	RDPJKINNXVFIFC-UHFFFAOYSA-N	-1	0	257.268	3.104	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209888962	814189839	/nfs/dbraw/zinc/18/98/39/814189839.db2.gz	IFQMYDOZJXDLQW-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1cccc(CC(=O)[O-])c1	ZINC001210074743	814275555	/nfs/dbraw/zinc/27/55/55/814275555.db2.gz	OHHZXSDLFMCYBX-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1c(F)cc(Nc2cccc(C(=O)[O-])c2F)cc1F	ZINC001210242041	814361726	/nfs/dbraw/zinc/36/17/26/814361726.db2.gz	IWJVVQDDHBIDQU-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC001210398947	814445501	/nfs/dbraw/zinc/44/55/01/814445501.db2.gz	LGOPGYGOZWUMMS-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC001210400133	814445588	/nfs/dbraw/zinc/44/55/88/814445588.db2.gz	BXQAMCOKCUVUDO-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
C[C@H](O)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001210506387	814495548	/nfs/dbraw/zinc/49/55/48/814495548.db2.gz	HTMRAMFKXMEPFG-QMMMGPOBSA-N	-1	0	260.318	3.122	20	30		CGEDRM
N#Cc1cc(Nc2ccccc2-n2cccn2)c([O-])cc1F	ZINC001210733651	814601781	/nfs/dbraw/zinc/60/17/81/814601781.db2.gz	RYZMZHJMOIYUMB-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
Cc1cnc(Nc2cccc([O-])c2Cl)c(C#N)c1	ZINC001210853831	814651073	/nfs/dbraw/zinc/65/10/73/814651073.db2.gz	LWYAGHWBANGRFB-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
COc1c(Nc2cc(C#N)ccc2F)cccc1C(=O)[O-]	ZINC001211036702	814714129	/nfs/dbraw/zinc/71/41/29/814714129.db2.gz	BGOJMFLZRHGPDA-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cnn2C(C)C)cc(C(=O)[O-])c1	ZINC001211539258	814903658	/nfs/dbraw/zinc/90/36/58/814903658.db2.gz	NXOTXZSTHIRRRM-UHFFFAOYSA-N	-1	0	284.319	3.086	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)ccc2O)cc(C(=O)[O-])c1	ZINC001211544931	814904660	/nfs/dbraw/zinc/90/46/60/814904660.db2.gz	OYYPNFWCCBGLRQ-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1ccc(Nc2nc(Cl)ccc2C#N)cc1C(=O)[O-]	ZINC001211596989	814915023	/nfs/dbraw/zinc/91/50/23/814915023.db2.gz	QEIQWJGLNCMLSE-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(O)cccc1C#N	ZINC001211626369	814920736	/nfs/dbraw/zinc/92/07/36/814920736.db2.gz	CIYUSTKPXSOGBG-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccccc3C(=O)[O-])ccc12	ZINC001242877749	823161582	/nfs/dbraw/zinc/16/15/82/823161582.db2.gz	LUHHGEYRMSJVQF-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc([S-])c2)c(C#N)c1	ZINC001242864827	823157794	/nfs/dbraw/zinc/15/77/94/823157794.db2.gz	WEGPDSMHNVHIQH-UHFFFAOYSA-N	-1	0	269.325	3.301	20	30		CGEDRM
N#Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1F	ZINC001216680888	815891755	/nfs/dbraw/zinc/89/17/55/815891755.db2.gz	HCFXAPLYCYNKPL-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1ccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)cc1F	ZINC001216969974	815904126	/nfs/dbraw/zinc/90/41/26/815904126.db2.gz	VPJZSWUWUOXLDF-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1cccc(-c2noc(-c3cccc(C#N)c3[O-])n2)c1	ZINC001216980217	815905543	/nfs/dbraw/zinc/90/55/43/815905543.db2.gz	VUJDBMPSYLSZIW-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cccc([S-])c1	ZINC001242867617	823159440	/nfs/dbraw/zinc/15/94/40/823159440.db2.gz	RZKRTKXEUXYSTM-UHFFFAOYSA-N	-1	0	251.314	3.342	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)cc1C	ZINC001242924362	823173547	/nfs/dbraw/zinc/17/35/47/823173547.db2.gz	QFZXLACBBYOGQY-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C=CC[C@H](OCc1ccc(S(=O)(=O)[O-])cc1)C(C)C	ZINC001223745396	816674371	/nfs/dbraw/zinc/67/43/71/816674371.db2.gz	BRAXUEZZUOVEFG-AWEZNQCLSA-N	-1	0	284.377	3.051	20	30		CGEDRM
C#C[C@@H](OCCCC[P@@](=O)([O-])O)[C@H](CC)CCCC	ZINC001225019783	816934307	/nfs/dbraw/zinc/93/43/07/816934307.db2.gz	AMXZDWZFELNYRP-ZIAGYGMSSA-N	-1	0	290.340	3.179	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@H]2CCCc3ccccc32)[nH]1	ZINC001225467270	817061652	/nfs/dbraw/zinc/06/16/52/817061652.db2.gz	OYYGDSMLYAKZBX-INIZCTEOSA-N	-1	0	280.327	3.424	20	30		CGEDRM
C#C[C@H](CCCCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225492615	817073295	/nfs/dbraw/zinc/07/32/95/817073295.db2.gz	YFMJVJNBZOLSEC-GFCCVEGCSA-N	-1	0	263.293	3.261	20	30		CGEDRM
N#CC[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001225619628	817115471	/nfs/dbraw/zinc/11/54/71/817115471.db2.gz	FPMPFZSTWHOHIV-CYBMUJFWSA-N	-1	0	284.271	3.334	20	30		CGEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225624345	817117270	/nfs/dbraw/zinc/11/72/70/817117270.db2.gz	AWSHUZSSMWRLLH-NSHDSACASA-N	-1	0	275.304	3.283	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2F)C1	ZINC001225882676	817205746	/nfs/dbraw/zinc/20/57/46/817205746.db2.gz	WHGTYFHNZPZWNA-PWSUYJOCSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C[C@@H]1CCC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)[C@@H]1C	ZINC001226008627	817247101	/nfs/dbraw/zinc/24/71/01/817247101.db2.gz	KXULAHXMLHXDKC-LNLATYFQSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1F	ZINC001226009101	817248050	/nfs/dbraw/zinc/24/80/50/817248050.db2.gz	RXRRQSFWCBOPNQ-ZDUSSCGKSA-N	-1	0	290.269	3.467	20	30		CGEDRM
C=CCOCC(COCC=C)Oc1cccc([S-])c1	ZINC001226014884	817250309	/nfs/dbraw/zinc/25/03/09/817250309.db2.gz	BTHHBWOXIQCTDM-UHFFFAOYSA-N	-1	0	280.389	3.128	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccc(N(C)C)c2)c1C#N	ZINC001226222697	817301980	/nfs/dbraw/zinc/30/19/80/817301980.db2.gz	GWVHZSFXEOUSHM-GFCCVEGCSA-N	-1	0	297.358	3.173	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccs2)c1C#N	ZINC001226222176	817301989	/nfs/dbraw/zinc/30/19/89/817301989.db2.gz	USSXLOBKABXBFE-SECBINFHSA-N	-1	0	260.318	3.169	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[nH]c(=O)ncc2C(C)=O)C1	ZINC001226239115	817307413	/nfs/dbraw/zinc/30/74/13/817307413.db2.gz	GDFFPHAQSAXEDT-TZMCWYRMSA-N	-1	0	288.347	3.065	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(CC#N)c(C)n2)c1	ZINC001243178007	823274500	/nfs/dbraw/zinc/27/45/00/823274500.db2.gz	LASVMVIHVKTEMP-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1nc(=O)[n-]c2c1COC2	ZINC001227686344	817693617	/nfs/dbraw/zinc/69/36/17/817693617.db2.gz	MSWQPYZWDFTYGS-NSHDSACASA-N	-1	0	278.352	3.116	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(C)c(C(=O)[O-])c2)c1	ZINC001243194250	823284296	/nfs/dbraw/zinc/28/42/96/823284296.db2.gz	CCHCPSKELNAVCC-UHFFFAOYSA-N	-1	0	251.285	3.127	20	30		CGEDRM
Cc1cc(-c2ccc(CC#N)c(C)n2)ccc1C(=O)[O-]	ZINC001243213203	823295065	/nfs/dbraw/zinc/29/50/65/823295065.db2.gz	XLBOKKRTSJGEKK-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1cc(-c2cc3cc[nH]c3nc2C#N)ccc1C(=O)[O-]	ZINC001243214489	823295496	/nfs/dbraw/zinc/29/54/96/823295496.db2.gz	DRMXEAFRDPYXSU-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
C=CCCCCN(C)Cc1c(F)ccc(O)c1F	ZINC001233396648	818611286	/nfs/dbraw/zinc/61/12/86/818611286.db2.gz	OCPHCEDIHPRHCD-UHFFFAOYSA-N	-1	0	255.308	3.459	20	30		CGEDRM
C[C@@H](Oc1ncc(C(F)(F)F)cc1C#N)C1=CC=C[CH]1	ZINC001233509038	818630196	/nfs/dbraw/zinc/63/01/96/818630196.db2.gz	DXTIEVUFFZMRLN-SECBINFHSA-N	-1	0	279.241	3.440	20	30		CGEDRM
COc1cc(/C=N/O)ccc1O[C@H](C)c1cccnc1	ZINC001233801427	818707622	/nfs/dbraw/zinc/70/76/22/818707622.db2.gz	ZRHPLJOACKPBQL-LBFZPMSMSA-N	-1	0	272.304	3.038	20	30		CGEDRM
C#C[C@H](CCCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832039	818715192	/nfs/dbraw/zinc/71/51/92/818715192.db2.gz	CAWJWHHTBNIYND-GFCCVEGCSA-N	-1	0	272.300	3.069	20	30		CGEDRM
COc1cccc(-c2ccc([O-])c(F)c2F)c1C#N	ZINC001243342660	823357984	/nfs/dbraw/zinc/35/79/84/823357984.db2.gz	NPUCQAKIPJEEBJ-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915277	818730598	/nfs/dbraw/zinc/73/05/98/818730598.db2.gz	GIAXZSSNXAPJEN-LBPRGKRZSA-N	-1	0	260.337	3.481	20	30		CGEDRM
C=CC(C=C)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234411620	818848961	/nfs/dbraw/zinc/84/89/61/818848961.db2.gz	ICOQTZZZXPKHMB-UHFFFAOYSA-N	-1	0	296.248	3.474	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1cc(O)c(O)cc1C(C)=O	ZINC001234475264	818862799	/nfs/dbraw/zinc/86/27/99/818862799.db2.gz	FHXGBSBVDRQIGH-NSHDSACASA-N	-1	0	264.321	3.424	20	30		CGEDRM
CC(C)CC[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529205	818874389	/nfs/dbraw/zinc/87/43/89/818874389.db2.gz	CTNRWXJAYWYCBO-LLVKDONJSA-N	-1	0	285.347	3.411	20	30		CGEDRM
Cc1ccc(F)c(-c2cnc3ccc(C#N)cc3n2)c1[O-]	ZINC001236390395	819447906	/nfs/dbraw/zinc/44/79/06/819447906.db2.gz	KAFVHSWYYXGRDD-UHFFFAOYSA-N	-1	0	279.274	3.322	20	30		CGEDRM
Cc1nc(-c2cc(F)cc(F)c2[O-])ccc1CC#N	ZINC001243501305	823420976	/nfs/dbraw/zinc/42/09/76/823420976.db2.gz	GFMKDNRYEQPCDU-UHFFFAOYSA-N	-1	0	260.243	3.107	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])c(F)c3F)ccc12	ZINC001243511724	823426332	/nfs/dbraw/zinc/42/63/32/823426332.db2.gz	GLZWFTKADPRUGF-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])cc2F)nc1C	ZINC001239245107	820238996	/nfs/dbraw/zinc/23/89/96/820238996.db2.gz	JMQFQGJETAIBHF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
COc1ccc(C#N)c(-c2ccc(C(F)(F)F)cc2[O-])n1	ZINC001243611764	823467090	/nfs/dbraw/zinc/46/70/90/823467090.db2.gz	MUTBZEOMEGPBCV-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#Cc1c(F)cccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239345817	820285598	/nfs/dbraw/zinc/28/55/98/820285598.db2.gz	GRBMOBDGRAGWLH-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1F	ZINC001239363801	820288585	/nfs/dbraw/zinc/28/85/85/820288585.db2.gz	WVBKMQMGXNHMRI-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
O=C([O-])/C=C/c1cccc(-c2ccc(/C=N/O)c(F)c2)c1	ZINC001240551540	821137878	/nfs/dbraw/zinc/13/78/78/821137878.db2.gz	VXXINXGRUXFXTO-UOMISXDJSA-N	-1	0	285.274	3.399	20	30		CGEDRM
COc1cc(-c2ccc(C(C)(C)C#N)nc2)ccc1C(=O)[O-]	ZINC001240743706	821295435	/nfs/dbraw/zinc/29/54/35/821295435.db2.gz	QNEGIZIXIZLZDQ-UHFFFAOYSA-N	-1	0	296.326	3.257	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])s2)c1F	ZINC001240848619	821369593	/nfs/dbraw/zinc/36/95/93/821369593.db2.gz	SMOZPOAWHROXTL-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240976861	821460489	/nfs/dbraw/zinc/46/04/89/821460489.db2.gz	BSBSINTYPHOIEZ-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
COc1cc(C(F)(F)F)c(C#N)c(-c2ccccc2[O-])n1	ZINC001241003669	821483579	/nfs/dbraw/zinc/48/35/79/821483579.db2.gz	SBHSWBXWMYWYDM-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3c(F)cc([O-])cc3F)c2c1	ZINC001241117606	821573428	/nfs/dbraw/zinc/57/34/28/821573428.db2.gz	SNMJNEJCGNZRNK-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
Cc1nc(-c2ccc(F)c(C(=O)[O-])c2)c(C#N)c(C)c1C	ZINC001241244798	821666147	/nfs/dbraw/zinc/66/61/47/821666147.db2.gz	BDZNTRAKFBFDIQ-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001241245771	821667054	/nfs/dbraw/zinc/66/70/54/821667054.db2.gz	PRFQPHWKVOTSFV-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ncc1C#N	ZINC001241345125	821749656	/nfs/dbraw/zinc/74/96/56/821749656.db2.gz	DGSMAIKJAUCJDL-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
COc1ccc(-c2cc(CC#N)ccc2OC)cc1C(=O)[O-]	ZINC001241868872	822187212	/nfs/dbraw/zinc/18/72/12/822187212.db2.gz	QUEAXXYPEANQRD-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
C#Cc1cccc(-c2nc[n-]c3nc(=S)sc2-3)c1	ZINC001241916253	822214937	/nfs/dbraw/zinc/21/49/37/822214937.db2.gz	BUBUBFNAOARUKY-UHFFFAOYSA-N	-1	0	269.354	3.023	20	30		CGEDRM
Cc1nccc(-c2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001242210237	822911330	/nfs/dbraw/zinc/91/13/30/822911330.db2.gz	YEAODHKKZANHPT-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(C#N)c(CC#N)c1	ZINC001242211133	822911621	/nfs/dbraw/zinc/91/16/21/822911621.db2.gz	SOBZGXNYLBKFSE-UHFFFAOYSA-N	-1	0	294.285	3.437	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])nc3)cc2)CC1	ZINC001242336727	822954059	/nfs/dbraw/zinc/95/40/59/822954059.db2.gz	ZRQCVMWXUGBMLE-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
CCc1nnc(-c2cccc(Cl)c2[O-])c(C#N)c1CC	ZINC001242365906	822968716	/nfs/dbraw/zinc/96/87/16/822968716.db2.gz	VNXIPFXWMPVZQT-UHFFFAOYSA-N	-1	0	287.750	3.499	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C2(C#N)CC2)cn1	ZINC001242388688	822978293	/nfs/dbraw/zinc/97/82/93/822978293.db2.gz	OQZFZIAPOFXIBP-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2cccc(F)n2)ccc1C	ZINC001342679681	936475505	/nfs/dbraw/zinc/47/55/05/936475505.db2.gz	GCZPVNWFJLSOET-AWEZNQCLSA-N	-1	0	296.301	3.222	20	30		CGEDRM
CCCC[C@@H](CCC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362034102	937230357	/nfs/dbraw/zinc/23/03/57/937230357.db2.gz	GDZLQUIIHLPTQP-CYBMUJFWSA-N	-1	0	289.379	3.056	20	30		CGEDRM
Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=O)ccc1C#N	ZINC001228899066	932047964	/nfs/dbraw/zinc/04/79/64/932047964.db2.gz	QOIZYTSGDOEREV-AWEZNQCLSA-N	-1	0	266.300	3.034	20	30		CGEDRM
C=C[C@@H](C)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229355001	932138573	/nfs/dbraw/zinc/13/85/73/932138573.db2.gz	BMCCVHXKHCWIMP-SNVBAGLBSA-N	-1	0	278.329	3.040	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1nc[n-]c(=O)c1Cl	ZINC001230018120	932522311	/nfs/dbraw/zinc/52/23/11/932522311.db2.gz	NHNHJDMZDCEVNX-LBPRGKRZSA-N	-1	0	288.734	3.045	20	30		CGEDRM
C=C[C@@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230018013	932522600	/nfs/dbraw/zinc/52/26/00/932522600.db2.gz	LPVHFOABHKYSLN-SNVBAGLBSA-N	-1	0	262.696	3.142	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230282623	932550749	/nfs/dbraw/zinc/55/07/49/932550749.db2.gz	XBRJZASQSKSUTH-NSHDSACASA-N	-1	0	266.341	3.100	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1nccc(Br)c1[O-]	ZINC001470752107	937757351	/nfs/dbraw/zinc/75/73/51/937757351.db2.gz	KYRSBHLFYRMSFH-MRVPVSSYSA-N	-1	0	299.168	3.091	20	30		CGEDRM
CC(C)=C[C@H]1[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1(C)C	ZINC001471085354	937761612	/nfs/dbraw/zinc/76/16/12/937761612.db2.gz	DKFMAFMGPYHCBA-LSDHHAIUSA-N	-1	0	284.359	3.207	20	30		CGEDRM
C=C[C@@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1	ZINC001329496346	935220846	/nfs/dbraw/zinc/22/08/46/935220846.db2.gz	VBFLFMAWPHBROH-ZDUSSCGKSA-N	-1	0	289.375	3.058	20	30		CGEDRM
CSc1cc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC001546332279	938000417	/nfs/dbraw/zinc/00/04/17/938000417.db2.gz	CLSNZLCHIXMXRW-UHFFFAOYSA-N	-1	0	288.328	3.140	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1nc(C2CCCCC2)cs1	ZINC001557325959	938209349	/nfs/dbraw/zinc/20/93/49/938209349.db2.gz	JEQLQPRCUSUSLK-LLVKDONJSA-N	-1	0	294.420	3.356	20	30		CGEDRM
C#Cc1ccc(NCc2ccc(C(=O)[O-])s2)cc1	ZINC001602706982	971340309	/nfs/dbraw/zinc/34/03/09/971340309.db2.gz	GMZRQZNIFVAOOD-UHFFFAOYSA-N	-1	0	257.314	3.040	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1	ZINC001602712378	971355290	/nfs/dbraw/zinc/35/52/90/971355290.db2.gz	PATNCYPSNZZEIS-INIZCTEOSA-N	-1	0	273.332	3.159	20	30		CGEDRM
C=C1CCC(C(=O)Nc2sccc2C(=O)[O-])CC1	ZINC001602713197	971361299	/nfs/dbraw/zinc/36/12/99/971361299.db2.gz	QPMPBRYTKNFPOH-UHFFFAOYSA-N	-1	0	265.334	3.131	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001602718289	971373183	/nfs/dbraw/zinc/37/31/83/971373183.db2.gz	IUTNCDSARKCCKD-CQSZACIVSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCCCCCCNC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001602719189	971382518	/nfs/dbraw/zinc/38/25/18/971382518.db2.gz	VZDSWCHWORGHHF-UHFFFAOYSA-N	-1	0	291.351	3.038	20	30		CGEDRM
C#CCN(CC(=O)[O-])[C@H](C)c1cc(Cl)ccc1Cl	ZINC000092491959	949162267	/nfs/dbraw/zinc/16/22/67/949162267.db2.gz	BJXOUPHLFXDFJG-SECBINFHSA-N	-1	0	286.158	3.074	20	30		CGEDRM
CCCC#CC(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC001184270674	957887045	/nfs/dbraw/zinc/88/70/45/957887045.db2.gz	YELYMDQICPXTST-UHFFFAOYSA-N	-1	0	276.386	3.327	20	30		CGEDRM
CC#CCCCC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21	ZINC001573384939	962254758	/nfs/dbraw/zinc/25/47/58/962254758.db2.gz	RYYGFGFPHOZEMC-UHFFFAOYSA-N	-1	0	299.370	3.166	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1	ZINC001573333188	962852806	/nfs/dbraw/zinc/85/28/06/962852806.db2.gz	XPNAICRJVFVURG-WCQYABFASA-N	-1	0	291.347	3.000	20	30		CGEDRM
C=C[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001573346991	962945163	/nfs/dbraw/zinc/94/51/63/962945163.db2.gz	INFQAZKYRUSPSP-MRXNPFEDSA-N	-1	0	296.322	3.398	20	30		CGEDRM
C=C(CNc1nc(C(=O)[O-])c(C)s1)c1ccccc1	ZINC001588637787	963000860	/nfs/dbraw/zinc/00/08/60/963000860.db2.gz	VXGBLXCMXRZSTG-UHFFFAOYSA-N	-1	0	274.345	3.275	20	30		CGEDRM
C#CCCCCNc1cccc(C(F)F)c1-c1nn[nH]n1	ZINC001588345970	963266672	/nfs/dbraw/zinc/26/66/72/963266672.db2.gz	RFIBSQVLLLGUBI-UHFFFAOYSA-N	-1	0	291.305	3.020	20	30		CGEDRM
C=C(C)c1cccc(Nc2cc(C)c(-c3nn[nH]n3)cn2)c1	ZINC001588442441	963272994	/nfs/dbraw/zinc/27/29/94/963272994.db2.gz	OVYBOOUNFHGBBS-UHFFFAOYSA-N	-1	0	292.346	3.347	20	30		CGEDRM
C=C(Br)COc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588529155	963279821	/nfs/dbraw/zinc/27/98/21/963279821.db2.gz	QNVIJPUIVZNYNC-UHFFFAOYSA-N	-1	0	291.528	3.326	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588535499	963286318	/nfs/dbraw/zinc/28/63/18/963286318.db2.gz	IDMUNMHGQFQBPG-MRVPVSSYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C(CC(C)C)C(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC001588606247	963291709	/nfs/dbraw/zinc/29/17/09/963291709.db2.gz	TUQISIIWSASNLV-UHFFFAOYSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)OCCc1ccccc1C(=O)[O-]	ZINC001588681859	963296016	/nfs/dbraw/zinc/29/60/16/963296016.db2.gz	FNORLUMRKRDTME-MRXNPFEDSA-N	-1	0	276.332	3.073	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588682811	963299841	/nfs/dbraw/zinc/29/98/41/963299841.db2.gz	QNDHSOHOIBSYER-MEBBXXQBSA-N	-1	0	280.320	3.493	20	30		CGEDRM
C=C1CCC(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001588650092	963300701	/nfs/dbraw/zinc/30/07/01/963300701.db2.gz	XSCWXQXZWBSFPH-UHFFFAOYSA-N	-1	0	290.319	3.451	20	30		CGEDRM
C=C1CCN(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1	ZINC001588649993	963301149	/nfs/dbraw/zinc/30/11/49/963301149.db2.gz	RALINRRXONEECP-UHFFFAOYSA-N	-1	0	288.347	3.186	20	30		CGEDRM
C=C[C@@H](Nc1ccccc1COCc1ccccc1)C(=O)[O-]	ZINC001588701927	963305525	/nfs/dbraw/zinc/30/55/25/963305525.db2.gz	CXYZXOPCWPLEOY-MRXNPFEDSA-N	-1	0	297.354	3.455	20	30		CGEDRM
C=C[C@@H](Sc1nc(C)c(C)n1CCCC)C(=O)[O-]	ZINC001588715341	963306034	/nfs/dbraw/zinc/30/60/34/963306034.db2.gz	WKEWUBJJRFWJAB-LLVKDONJSA-N	-1	0	268.382	3.031	20	30		CGEDRM
C=CC1(CC(=O)N(CC)C(C)(C)C(=O)[O-])CCCCC1	ZINC001588715318	963307158	/nfs/dbraw/zinc/30/71/58/963307158.db2.gz	VLXFOOXELDKJRF-UHFFFAOYSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588770775	963315275	/nfs/dbraw/zinc/31/52/75/963315275.db2.gz	GOXUGZHWWBPPIZ-BXUZGUMPSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC001588792288	963316010	/nfs/dbraw/zinc/31/60/10/963316010.db2.gz	BXNWYTDJMBCUMT-OAHLLOKOSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=CC[C@H]1CCN1[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001588773042	963317905	/nfs/dbraw/zinc/31/79/05/963317905.db2.gz	VDUXWXPONOSDCF-ZANVPECISA-N	-1	0	283.730	3.255	20	30		CGEDRM
C=CCCCCCOC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588799704	963320407	/nfs/dbraw/zinc/32/04/07/963320407.db2.gz	BGCBIRBAKNORPG-CHWSQXEVSA-N	-1	0	268.353	3.167	20	30		CGEDRM
C=CCCc1ccccc1N[C@H](C)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588817551	963323481	/nfs/dbraw/zinc/32/34/81/963323481.db2.gz	LQURDDPOHWNMPD-MRVWCRGKSA-N	-1	0	259.349	3.326	20	30		CGEDRM
CC#CCN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588931395	963329399	/nfs/dbraw/zinc/32/93/99/963329399.db2.gz	UDUZWZNQGCBSIR-UHFFFAOYSA-N	-1	0	296.326	3.025	20	30		CGEDRM
CC(=NNc1cccc(F)c1C(=O)[O-])c1scnc1C	ZINC001589017450	963343890	/nfs/dbraw/zinc/34/38/90/963343890.db2.gz	QGMZVMZSNAIBKL-UHFFFAOYSA-N	-1	0	293.323	3.125	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000311738864	963508044	/nfs/dbraw/zinc/50/80/44/963508044.db2.gz	QIHQGMJHHUWTLP-UHFFFAOYSA-N	-1	0	282.365	3.103	20	30		CGEDRM
CC(C)(C#N)C(=O)Nc1cccc2cc(C(=O)[O-])sc21	ZINC001589554110	964002723	/nfs/dbraw/zinc/00/27/23/964002723.db2.gz	VJZRUVPGKFNBEO-UHFFFAOYSA-N	-1	0	288.328	3.088	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000393795620	972641866	/nfs/dbraw/zinc/64/18/66/972641866.db2.gz	NCRGPQMOOAPMPY-LBPRGKRZSA-N	-1	0	276.336	3.169	20	30		CGEDRM
CCCCCCCCNC(=O)C1(CC(=O)[O-])CCC1	ZINC001603640326	973980537	/nfs/dbraw/zinc/98/05/37/973980537.db2.gz	CFNFOQAHGRGWKY-UHFFFAOYSA-N	-1	0	269.385	3.108	20	30		CGEDRM
C[C@H](CC#N)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001592211225	977261285	/nfs/dbraw/zinc/26/12/85/977261285.db2.gz	KKLSQARKEILTSA-SNVBAGLBSA-N	-1	0	282.299	3.026	20	30		CGEDRM
C[C@@H](CCN=Nc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC001592472012	978235806	/nfs/dbraw/zinc/23/58/06/978235806.db2.gz	ZEYBYPHSMVITCU-QMMMGPOBSA-N	-1	0	274.242	3.214	20	30		CGEDRM
C[C@H](Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1)C(=O)[O-]	ZINC001592877928	979747345	/nfs/dbraw/zinc/74/73/45/979747345.db2.gz	RLMQQWFGZURDCA-XNRPHZJLSA-N	-1	0	286.375	3.444	20	30		CGEDRM
CCC[C@@H](CN=Nc1ccc(C(=O)[O-])c(Cl)c1)OC	ZINC001595578279	981499735	/nfs/dbraw/zinc/49/97/35/981499735.db2.gz	CIBIRSJHAKJTRI-JTQLQIEISA-N	-1	0	284.743	3.251	20	30		CGEDRM
CCCC[C@@H](S[C@H](C#N)Cc1ccccc1)C(=O)[O-]	ZINC001595652632	982035000	/nfs/dbraw/zinc/03/50/00/982035000.db2.gz	VWCOONWSQATDID-UONOGXRCSA-N	-1	0	277.389	3.498	20	30		CGEDRM
CCCCCCCC(=O)Nc1cccc(C(=O)[O-])c1N	ZINC001595705234	982283665	/nfs/dbraw/zinc/28/36/65/982283665.db2.gz	SGBXKGDKDFGEGJ-UHFFFAOYSA-N	-1	0	278.352	3.266	20	30		CGEDRM
Cc1c(C#N)c(NC2CC(CC(=O)[O-])C2)nc2ccccc12	ZINC001599973504	986049354	/nfs/dbraw/zinc/04/93/54/986049354.db2.gz	WWWAJRQTVAOUKQ-UHFFFAOYSA-N	-1	0	295.342	3.080	20	30		CGEDRM
CCOc1cccc(/C=N\[C@H](CC(C)(C)C)C(=O)[O-])c1O	ZINC001597149930	986923144	/nfs/dbraw/zinc/92/31/44/986923144.db2.gz	MWVBZIRMPYGCKT-HJPCULJESA-N	-1	0	293.363	3.099	20	30		CGEDRM
CC[C@H](C#N)Sc1nc(C(F)(F)F)ccc1C(=O)[O-]	ZINC001594725160	987227340	/nfs/dbraw/zinc/22/73/40/987227340.db2.gz	NAJWZTNWFVBHKM-ZCFIWIBFSA-N	-1	0	290.266	3.193	20	30		CGEDRM
CCc1ccc(NC(=O)CCCCCC#N)c(C(=O)[O-])c1	ZINC001597542764	988234007	/nfs/dbraw/zinc/23/40/07/988234007.db2.gz	JTKDUMQDMBOJIE-UHFFFAOYSA-N	-1	0	288.347	3.360	20	30		CGEDRM
CCc1cccc(C)c1NN=Cc1ccc(C(=O)[O-])o1	ZINC001597580695	988381998	/nfs/dbraw/zinc/38/19/98/988381998.db2.gz	ANTPRTTUDMRDER-UHFFFAOYSA-N	-1	0	272.304	3.295	20	30		CGEDRM
C[C@@H](CC1CCCCC1)Nc1ccc(C(=O)[O-])nc1C#N	ZINC001599835497	988735655	/nfs/dbraw/zinc/73/56/55/988735655.db2.gz	WQXPGCQIDKFELE-NSHDSACASA-N	-1	0	287.363	3.422	20	30		CGEDRM
CC(C)(CSCC#Cc1ccc(F)cc1)C(=O)[O-]	ZINC001590811988	990642160	/nfs/dbraw/zinc/64/21/60/990642160.db2.gz	FAIPREOFFQGPLW-UHFFFAOYSA-N	-1	0	266.337	3.021	20	30		CGEDRM
CC(C)[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001591088787	991624932	/nfs/dbraw/zinc/62/49/32/991624932.db2.gz	LTPBBCJZRCGQTI-NEPJUHHUSA-N	-1	0	287.363	3.278	20	30		CGEDRM
COc1cc(Oc2cccc(F)c2C#N)ccc1C(=O)[O-]	ZINC001599456468	998196790	/nfs/dbraw/zinc/19/67/90/998196790.db2.gz	RGERHCPZHRHGOM-UHFFFAOYSA-N	-1	0	287.246	3.196	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)c(NCCCCC(=O)[O-])c1	ZINC000591326999	346915568	/nfs/dbraw/zinc/91/55/68/346915568.db2.gz	WCZDSWXJGUCRAL-UHFFFAOYSA-N	-1	0	286.253	3.244	20	30		CGEDRM
N#CC1(NC(=O)c2ccc(Cl)cc2O)CCCCC1	ZINC000040217111	344960482	/nfs/dbraw/zinc/96/04/82/344960482.db2.gz	WVSWFYMLFMQDRN-UHFFFAOYSA-N	-1	0	278.739	3.002	20	30		CGEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC000062785017	345240220	/nfs/dbraw/zinc/24/02/20/345240220.db2.gz	AODDCBXIKKVKHL-LLVKDONJSA-N	-1	0	292.766	3.293	20	30		CGEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000076757383	345548704	/nfs/dbraw/zinc/54/87/04/345548704.db2.gz	BKJUXMMURVCBQI-HWKANZROSA-N	-1	0	291.781	3.013	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C	ZINC000080454759	345675033	/nfs/dbraw/zinc/67/50/33/345675033.db2.gz	XRKMEWNRRVFLRX-SNVBAGLBSA-N	-1	0	288.376	3.097	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000128696852	346043276	/nfs/dbraw/zinc/04/32/76/346043276.db2.gz	IKXKSVSLJRLVKV-UHFFFAOYSA-N	-1	0	273.332	3.400	20	30		CGEDRM
CC[C@@H](C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000593568925	347091637	/nfs/dbraw/zinc/09/16/37/347091637.db2.gz	KTFBYAWUUSWGNZ-LURJTMIESA-N	-1	0	273.119	3.187	20	30		CGEDRM
N#Cc1nc(NCC2(C3CC3)CCC2)sc1Cl	ZINC000596175270	347394441	/nfs/dbraw/zinc/39/44/41/347394441.db2.gz	QQALFDNCEJSSJW-UHFFFAOYSA-N	-1	0	267.785	3.082	20	30		CGEDRM
Cc1[n-]n(-c2ccc(F)c(Cl)c2)c(=O)c1CCC#N	ZINC000601937833	347926184	/nfs/dbraw/zinc/92/61/84/347926184.db2.gz	IVXVRMZGCYIYCA-SNVBAGLBSA-N	-1	0	279.702	3.122	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1Cl	ZINC000601950035	347928440	/nfs/dbraw/zinc/92/84/40/347928440.db2.gz	SQYXDRDHPHANIO-NSHDSACASA-N	-1	0	273.723	3.104	20	30		CGEDRM
C[C@@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c2C1	ZINC000601950024	347928676	/nfs/dbraw/zinc/92/86/76/347928676.db2.gz	SKZUTYZLFMFEAU-SKDRFNHKSA-N	-1	0	287.750	3.350	20	30		CGEDRM
CC(C)[C@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601933032	347925928	/nfs/dbraw/zinc/92/59/28/347925928.db2.gz	XDUXJWMSKATQPL-DZGCQCFKSA-N	-1	0	281.359	3.333	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3ccc(Cl)cc3)cc2=O)cc1	ZINC000603920709	348102695	/nfs/dbraw/zinc/10/26/95/348102695.db2.gz	DVIPTXHMRHAQQP-UHFFFAOYSA-N	-1	0	295.729	3.353	20	30		CGEDRM
C=CCN=c1[n-]nc(S[C@H]2CCC[C@@H](C)C2)s1	ZINC000605075992	348146405	/nfs/dbraw/zinc/14/64/05/348146405.db2.gz	BZCWRMOOCJQQTQ-ZJUUUORDSA-N	-1	0	269.439	3.229	20	30		CGEDRM
Cc1c(NC(=O)c2ccc(CC#N)cc2)cccc1C(=O)[O-]	ZINC000611463383	348453352	/nfs/dbraw/zinc/45/33/52/348453352.db2.gz	BBMDEYHLMIGXLS-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C=CCC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCCC1	ZINC000619111268	349205989	/nfs/dbraw/zinc/20/59/89/349205989.db2.gz	SARSWVDSRAZNPZ-UHFFFAOYSA-N	-1	0	281.302	3.289	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1ccc([O-])c(Cl)c1	ZINC000628317549	350497761	/nfs/dbraw/zinc/49/77/61/350497761.db2.gz	OCQWROTYZJHYFG-UHFFFAOYSA-N	-1	0	267.756	3.378	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)[O-]	ZINC000630326389	350823978	/nfs/dbraw/zinc/82/39/78/350823978.db2.gz	PHTBRIHDDAHCJD-JSGCOSHPSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)CC(CC)(CC)C(=O)[O-])C1	ZINC000634928639	351604929	/nfs/dbraw/zinc/60/49/29/351604929.db2.gz	RXDGCBMPPGVNQP-CYBMUJFWSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634932522	351605658	/nfs/dbraw/zinc/60/56/58/351605658.db2.gz	BDWUCRYHZHBEKM-AWEZNQCLSA-N	-1	0	289.375	3.106	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513599	369405222	/nfs/dbraw/zinc/40/52/22/369405222.db2.gz	VTHCOZCNFZSDON-UHFFFAOYSA-N	-1	0	261.387	3.042	20	30		CGEDRM
C#CCO[N-]C(=O)C1(c2c(Cl)cccc2Cl)CCC1	ZINC000291306611	372157444	/nfs/dbraw/zinc/15/74/44/372157444.db2.gz	RFVMGJURSGVBAC-UHFFFAOYSA-N	-1	0	298.169	3.096	20	30		CGEDRM
Cc1ccsc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000429569918	372375740	/nfs/dbraw/zinc/37/57/40/372375740.db2.gz	TUSYYHBYTJGOCT-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000430598643	372392633	/nfs/dbraw/zinc/39/26/33/372392633.db2.gz	DJKYYMLGYJVIAD-GFCCVEGCSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1nc(=N[C@@H](CCCC#N)c2ccccc2)s[n-]1	ZINC000431495129	372478371	/nfs/dbraw/zinc/47/83/71/372478371.db2.gz	OWIYLUIGWPCAOV-ZDUSSCGKSA-N	-1	0	272.377	3.116	20	30		CGEDRM
Cc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1C#N	ZINC000435750728	372803865	/nfs/dbraw/zinc/80/38/65/372803865.db2.gz	ZFERFMYDLOACMW-UTCJRWHESA-N	-1	0	289.294	3.002	20	30		CGEDRM
O=C([O-])c1cccc(CNC(=O)[C@H]2CC23CCCC3)c1	ZINC000329280060	374402245	/nfs/dbraw/zinc/40/22/45/374402245.db2.gz	MRIUTMOEMFGJCB-CYBMUJFWSA-N	-1	0	273.332	3.422	20	30		CGEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000183634074	374436506	/nfs/dbraw/zinc/43/65/06/374436506.db2.gz	UMZDCTMXPSAYHA-BMIGLBTASA-N	-1	0	292.766	3.248	20	30		CGEDRM
N#Cc1cnccc1/C=C/c1cc(F)c([O-])c(F)c1	ZINC000334428092	374741528	/nfs/dbraw/zinc/74/15/28/374741528.db2.gz	XTGPYHJOKWPOLT-OWOJBTEDSA-N	-1	0	258.227	3.107	20	30		CGEDRM
Cc1cc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2[nH]1	ZINC000188284671	375191010	/nfs/dbraw/zinc/19/10/10/375191010.db2.gz	XKBHBMTVBMWPHA-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)o1	ZINC000190942241	375553787	/nfs/dbraw/zinc/55/37/87/375553787.db2.gz	FEQWIEWEQFYASX-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000335958498	375570991	/nfs/dbraw/zinc/57/09/91/375570991.db2.gz	RPHBIRSZWPGZAP-JTQLQIEISA-N	-1	0	283.730	3.365	20	30		CGEDRM
Cc1nc(NC[C@H](CC(C)C)C(=O)[O-])c(Cl)cc1C#N	ZINC000336834134	375996780	/nfs/dbraw/zinc/99/67/80/375996780.db2.gz	QDGSDTBXFMVJFJ-NSHDSACASA-N	-1	0	295.770	3.074	20	30		CGEDRM
N#CC(=C([O-])c1cccnc1)c1nc2ccccc2s1	ZINC000338186386	376277149	/nfs/dbraw/zinc/27/71/49/376277149.db2.gz	PYHYFPZPPDCACN-NSHDSACASA-N	-1	0	279.324	3.181	20	30		CGEDRM
CC1CC(C#N)(C(=O)Nc2cc(F)cc(Cl)c2[O-])C1	ZINC000547458275	376841363	/nfs/dbraw/zinc/84/13/63/376841363.db2.gz	OTYGIRWXQHEJON-UHFFFAOYSA-N	-1	0	282.702	3.063	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)oc1C	ZINC000573057289	377552657	/nfs/dbraw/zinc/55/26/57/377552657.db2.gz	QKQKIPQJIMAXNZ-LBPRGKRZSA-N	-1	0	291.310	3.330	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)sc1C	ZINC000343140802	377912111	/nfs/dbraw/zinc/91/21/11/377912111.db2.gz	WSQUUBPUOYMCAA-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1	ZINC000345388105	378274791	/nfs/dbraw/zinc/27/47/91/378274791.db2.gz	AUXAYQQDYNZXRZ-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274714920	378881296	/nfs/dbraw/zinc/88/12/96/378881296.db2.gz	RFPNDQOBAFXACJ-UHFFFAOYSA-N	-1	0	257.692	3.480	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000281730866	379843086	/nfs/dbraw/zinc/84/30/86/379843086.db2.gz	OCLZGCHTQYAPBZ-SNVBAGLBSA-N	-1	0	276.361	3.201	20	30		CGEDRM
CC(C)n1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1	ZINC000355616885	380729619	/nfs/dbraw/zinc/72/96/19/380729619.db2.gz	GGJBDSQLFJWBLO-LLVKDONJSA-N	-1	0	294.314	3.095	20	30		CGEDRM
C=C(CN=c1nc(CCC)[n-]s1)c1ccccc1	ZINC000359952674	381384718	/nfs/dbraw/zinc/38/47/18/381384718.db2.gz	OWFGEKKJIZNSHL-UHFFFAOYSA-N	-1	0	259.378	3.038	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000681679021	543801523	/nfs/dbraw/zinc/80/15/23/543801523.db2.gz	FZUQDZCCUWDABF-UHFFFAOYSA-N	-1	0	259.305	3.092	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc2ccccc2o1	ZINC000683901803	543952833	/nfs/dbraw/zinc/95/28/33/543952833.db2.gz	DIWYAKFSJAZNHL-JTQLQIEISA-N	-1	0	293.282	3.183	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000654999413	419014326	/nfs/dbraw/zinc/01/43/26/419014326.db2.gz	GXSNTJALKSGDLI-VIFPVBQESA-N	-1	0	288.328	3.112	20	30		CGEDRM
C=CC[C@H]1N(C(=O)NCCCCC(=O)[O-])CCCC1(C)C	ZINC000666559045	419226303	/nfs/dbraw/zinc/22/63/03/419226303.db2.gz	OFHSQXNZXLLEPH-CYBMUJFWSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C=CCC1(NC(=O)c2cccc(C(=O)[O-])c2)CCCC1	ZINC000663135568	419516634	/nfs/dbraw/zinc/51/66/34/419516634.db2.gz	SCOCVZWMIPILLB-UHFFFAOYSA-N	-1	0	273.332	3.004	20	30		CGEDRM
CC(C)(C)c1[n-]n(Cc2ccccc2)c(=O)c1CCC#N	ZINC000151834027	261055928	/nfs/dbraw/zinc/05/59/28/261055928.db2.gz	CLOCBHTUGKFVBY-UHFFFAOYSA-N	-1	0	283.375	3.391	20	30		CGEDRM
CC(C)Cn1cc(C=CC(=O)c2sccc2[O-])cn1	ZINC000193147834	262217152	/nfs/dbraw/zinc/21/71/52/262217152.db2.gz	TWWVWSXHEFCNDB-ONEGZZNKSA-N	-1	0	276.361	3.202	20	30		CGEDRM
CC1(C)CCCN(C(=O)c2ccc([O-])c(Cl)c2)[C@H]1C#N	ZINC000277623172	263042382	/nfs/dbraw/zinc/04/23/82/263042382.db2.gz	WMDAGQJPVFERKS-ZDUSSCGKSA-N	-1	0	292.766	3.200	20	30		CGEDRM
C[C@@H]1CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000331095203	264120980	/nfs/dbraw/zinc/12/09/80/264120980.db2.gz	ZYBLQQKLQSGKQN-ZJUUUORDSA-N	-1	0	278.308	3.041	20	30		CGEDRM
C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC=CCC1	ZINC000331361613	264210070	/nfs/dbraw/zinc/21/00/70/264210070.db2.gz	ZHJHMDGBLRQXLP-AWEZNQCLSA-N	-1	0	276.292	3.104	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc2ccccc2s1	ZINC000429679177	268207280	/nfs/dbraw/zinc/20/72/80/268207280.db2.gz	DZNDHVORVVNSHG-JTQLQIEISA-N	-1	0	293.307	3.251	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000263259178	277783296	/nfs/dbraw/zinc/78/32/96/277783296.db2.gz	JHMFBEKVFXIKEW-GWCFXTLKSA-N	-1	0	295.766	3.184	20	30		CGEDRM
C[C@H]1CCN(C(=O)N=c2cn[n-]s2)CC12CCCCC2	ZINC000330204212	299967182	/nfs/dbraw/zinc/96/71/82/299967182.db2.gz	BLNZLXQICUZRPM-NSHDSACASA-N	-1	0	294.424	3.376	20	30		CGEDRM
COc1csc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1	ZINC000177588563	329187904	/nfs/dbraw/zinc/18/79/04/329187904.db2.gz	YQZOIITZZHWRAL-SNVBAGLBSA-N	-1	0	297.339	3.123	20	30		CGEDRM
COc1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000177587968	329187933	/nfs/dbraw/zinc/18/79/33/329187933.db2.gz	ZENOEDVIWDRZSM-SECBINFHSA-N	-1	0	278.358	3.012	20	30		CGEDRM
C=CCC[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000262910938	330036726	/nfs/dbraw/zinc/03/67/26/330036726.db2.gz	NDURVFSLMKDDNM-ZIAGYGMSSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263352929	330052883	/nfs/dbraw/zinc/05/28/83/330052883.db2.gz	IGFNQQHSGYDCAB-CQSZACIVSA-N	-1	0	296.411	3.019	20	30		CGEDRM
Cc1ccccc1-c1nc(=NCC(C)(C)CC#N)s[n-]1	ZINC000528034095	330302334	/nfs/dbraw/zinc/30/23/34/330302334.db2.gz	SPXPHQJJBGRZDG-UHFFFAOYSA-N	-1	0	286.404	3.287	20	30		CGEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1	ZINC000088475022	330376539	/nfs/dbraw/zinc/37/65/39/330376539.db2.gz	QIFYUMMCGSEYGG-SNVBAGLBSA-N	-1	0	293.175	3.037	20	30		CGEDRM
COc1cc(C)sc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000114048792	533710984	/nfs/dbraw/zinc/71/09/84/533710984.db2.gz	SKQGLUVTVPFZLX-VIFPVBQESA-N	-1	0	292.385	3.320	20	30		CGEDRM
N#CC[C@@H]1CC[C@H](N=c2[n-]nc(-c3ccccc3)s2)C1	ZINC000450670099	330992377	/nfs/dbraw/zinc/99/23/77/330992377.db2.gz	DQDBINISIADCKA-AAEUAGOBSA-N	-1	0	284.388	3.121	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000451892430	331046357	/nfs/dbraw/zinc/04/63/57/331046357.db2.gz	PGSAOCFUBUNLSO-UHFFFAOYSA-N	-1	0	261.321	3.136	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@H](C)C3)n1	ZINC000453596725	331135562	/nfs/dbraw/zinc/13/55/62/331135562.db2.gz	XSOBJPDHJRUXQR-ZWNOBZJWSA-N	-1	0	298.367	3.265	20	30		CGEDRM
C=CCOc1ccccc1CN=c1nc(CCC)[n-]s1	ZINC000461946210	331315909	/nfs/dbraw/zinc/31/59/09/331315909.db2.gz	MOYBDGDQWBMZBR-UHFFFAOYSA-N	-1	0	289.404	3.089	20	30		CGEDRM
C=CCN=c1[n-]nc(SCc2ccc(F)cc2C)s1	ZINC000548476822	334159113	/nfs/dbraw/zinc/15/91/13/334159113.db2.gz	HUZJDMWHYNNUBV-UHFFFAOYSA-N	-1	0	295.408	3.298	20	30		CGEDRM
Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000576724883	335240518	/nfs/dbraw/zinc/24/05/18/335240518.db2.gz	LNSILEOJRQNUCE-GFCCVEGCSA-N	-1	0	298.346	3.003	20	30		CGEDRM
CCC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163844786	520795301	/nfs/dbraw/zinc/79/53/01/520795301.db2.gz	MCJVQRMLNSTKHP-LLVKDONJSA-N	-1	0	286.253	3.242	20	30		CGEDRM
N#CC(=C([O-])c1occc1-c1ccccc1)c1ccncn1	ZINC000354466688	534740159	/nfs/dbraw/zinc/74/01/59/534740159.db2.gz	NDWGIKGRZQHJQH-AWEZNQCLSA-N	-1	0	289.294	3.227	20	30		CGEDRM
CCSc1cccc(C([O-])=C(C#N)c2ccncn2)c1	ZINC000354405729	529249620	/nfs/dbraw/zinc/24/96/20/529249620.db2.gz	IXWPSQFGBXBDOX-ZDUSSCGKSA-N	-1	0	283.356	3.079	20	30		CGEDRM
Cc1csc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000727653739	571761117	/nfs/dbraw/zinc/76/11/17/571761117.db2.gz	YNADZGSARLROAR-WFNNLQEBSA-N	-1	0	291.332	3.245	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1O	ZINC000727779803	571768884	/nfs/dbraw/zinc/76/88/84/571768884.db2.gz	WCQVGAUTEPTADZ-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(O)c(F)c1	ZINC000728427059	571805450	/nfs/dbraw/zinc/80/54/50/571805450.db2.gz	GYZQDSOWIZTSSV-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc(F)cc2)cs1	ZINC000730148268	571951334	/nfs/dbraw/zinc/95/13/34/571951334.db2.gz	DFZAPVPACIQVIF-ZZXKWVIFSA-N	-1	0	276.288	3.482	20	30		CGEDRM
C#CCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000730950979	572385707	/nfs/dbraw/zinc/38/57/07/572385707.db2.gz	IBLNSKQKVDAEMI-UHFFFAOYSA-N	-1	0	296.282	3.063	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1	ZINC000739132473	572402870	/nfs/dbraw/zinc/40/28/70/572402870.db2.gz	SGMXDMUCXFZIRT-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1	ZINC000740314785	572439436	/nfs/dbraw/zinc/43/94/36/572439436.db2.gz	BNCSDAUUILHNBJ-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
N#Cc1ccc(NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1	ZINC000740318412	572439608	/nfs/dbraw/zinc/43/96/08/572439608.db2.gz	ZZCUGMXAHBGUQU-UHFFFAOYSA-N	-1	0	296.286	3.292	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@H]2Cc2ccccc2)c1	ZINC000741463433	572499999	/nfs/dbraw/zinc/49/99/99/572499999.db2.gz	FNBIEWIINYTKGV-UURSAVIFSA-N	-1	0	296.326	3.351	20	30		CGEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1cccc(C#N)c1	ZINC000743501800	572667599	/nfs/dbraw/zinc/66/75/99/572667599.db2.gz	RLDMEIHFXQYSPN-TZQXVGBESA-N	-1	0	295.298	3.352	20	30		CGEDRM
C#CCN(Cc1cc(C(=O)[O-])co1)[C@@H]1CCc2ccccc21	ZINC000736080845	572766365	/nfs/dbraw/zinc/76/63/65/572766365.db2.gz	YUDFZAPEZFZTNE-QGZVFWFLSA-N	-1	0	295.338	3.101	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2cc(F)cc(F)c2)cc1F	ZINC000749857692	573049451	/nfs/dbraw/zinc/04/94/51/573049451.db2.gz	FMEWWYVCLKXONJ-UHFFFAOYSA-N	-1	0	284.212	3.395	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(Cl)nc2)c1	ZINC000774136907	598201773	/nfs/dbraw/zinc/20/17/73/598201773.db2.gz	WJXNBNBZUSJHRE-XQRVVYSFSA-N	-1	0	287.702	3.329	20	30		CGEDRM
Cc1cc(CSc2ccc(C#N)cc2)oc1C(=O)[O-]	ZINC000832884978	601406882	/nfs/dbraw/zinc/40/68/82/601406882.db2.gz	GFQCLIKCTUTOQK-UHFFFAOYSA-N	-1	0	273.313	3.450	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000825671660	601448318	/nfs/dbraw/zinc/44/83/18/601448318.db2.gz	ZFYGVCYZVZURPB-UHFFFAOYSA-N	-1	0	267.712	3.333	20	30		CGEDRM
C=CCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C	ZINC000825665359	601450346	/nfs/dbraw/zinc/45/03/46/601450346.db2.gz	YYFFDMAEXJRRBG-UHFFFAOYSA-N	-1	0	287.315	3.057	20	30		CGEDRM
CC(C)(C#N)CCCNc1cc(C(=O)[O-])ccc1F	ZINC000826071380	601552712	/nfs/dbraw/zinc/55/27/12/601552712.db2.gz	LDHIGNZJGOUBCZ-UHFFFAOYSA-N	-1	0	264.300	3.266	20	30		CGEDRM
CC(C)(C/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000826551173	601612611	/nfs/dbraw/zinc/61/26/11/601612611.db2.gz	OTTAQKSRURDYRJ-RQZCQDPDSA-N	-1	0	271.316	3.075	20	30		CGEDRM
C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000825671622	601619065	/nfs/dbraw/zinc/61/90/65/601619065.db2.gz	XTWXBTVESHJVNI-ZDUSSCGKSA-N	-1	0	295.766	3.328	20	30		CGEDRM
Cc1ccnc(N=NCc2c[nH]c3ccc(C(=O)[O-])cc23)c1	ZINC000832983620	601806987	/nfs/dbraw/zinc/80/69/87/601806987.db2.gz	CSGBDQBQUMOCAP-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2cccc3ncccc23)CC1	ZINC000831869136	603858975	/nfs/dbraw/zinc/85/89/75/603858975.db2.gz	JLNYQUBBTLIQRQ-UHFFFAOYSA-N	-1	0	298.346	3.023	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccccc1NC(=O)[O-]	ZINC000823490767	604048087	/nfs/dbraw/zinc/04/80/87/604048087.db2.gz	KXROQTOMUSCASS-UHFFFAOYSA-N	-1	0	274.320	3.483	20	30		CGEDRM
O=C(/C=C/c1cnn(C2CCC2)c1)c1ccccc1[O-]	ZINC000899362031	620668755	/nfs/dbraw/zinc/66/87/55/620668755.db2.gz	HYPBTEASCNFAQM-CMDGGOBGSA-N	-1	0	268.316	3.210	20	30		CGEDRM
Cc1[n-]n(-c2ccc(F)cc2Cl)c(=O)c1CCC#N	ZINC000899362109	620668659	/nfs/dbraw/zinc/66/86/59/620668659.db2.gz	KFYCXUNJWCYKCU-SNVBAGLBSA-N	-1	0	279.702	3.122	20	30		CGEDRM
COc1cc(NCc2cccc(C#N)c2)ccc1NC(=O)[O-]	ZINC000829197145	604214324	/nfs/dbraw/zinc/21/43/24/604214324.db2.gz	FEGVDMNKDAAUKN-UHFFFAOYSA-N	-1	0	297.314	3.269	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1nc(-c2ccc(C#N)cc2)cs1	ZINC000825453360	604350269	/nfs/dbraw/zinc/35/02/69/604350269.db2.gz	INJZNDNNXNIOQV-QMMMGPOBSA-N	-1	0	273.317	3.010	20	30		CGEDRM
C[C@@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000768366180	604536806	/nfs/dbraw/zinc/53/68/06/604536806.db2.gz	CNSQPIJBXHZVEL-MNOVXSKESA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(C)c1)OCC	ZINC000833367201	604553910	/nfs/dbraw/zinc/55/39/10/604553910.db2.gz	IXAOUULIZWPDRZ-AWEZNQCLSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C/C=C(/C=C\C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)CC	ZINC000828542845	604618949	/nfs/dbraw/zinc/61/89/49/604618949.db2.gz	OBHMWYYLXZTFFX-ODOOHUAESA-N	-1	0	299.326	3.140	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccsc2)cc1	ZINC000833310923	604628985	/nfs/dbraw/zinc/62/89/85/604628985.db2.gz	ZNSILBBQXYRVTD-BHQIHCQQSA-N	-1	0	258.298	3.342	20	30		CGEDRM
C#CCCCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000833362622	605018787	/nfs/dbraw/zinc/01/87/87/605018787.db2.gz	BAMPLAYSTJAEGI-AWEZNQCLSA-N	-1	0	294.734	3.203	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833371858	605280258	/nfs/dbraw/zinc/28/02/58/605280258.db2.gz	XWNOHWKXQZLYHQ-MRVPVSSYSA-N	-1	0	281.287	3.002	20	30		CGEDRM
C=CCCCC(=O)OCc1ccc(NC(=O)[O-])cc1	ZINC000833373337	605302835	/nfs/dbraw/zinc/30/28/35/605302835.db2.gz	LNDORTWZTCHLCD-UHFFFAOYSA-N	-1	0	263.293	3.176	20	30		CGEDRM
O=C([O-])NCCCN=Nc1ccc(Cl)c(Cl)c1	ZINC000832605450	605464859	/nfs/dbraw/zinc/46/48/59/605464859.db2.gz	XFZPPFYCXXVGCH-UHFFFAOYSA-N	-1	0	276.123	3.049	20	30		CGEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ccccc1	ZINC000824760154	605456992	/nfs/dbraw/zinc/45/69/92/605456992.db2.gz	SHJXSMZAEMKWOI-ZDUSSCGKSA-N	-1	0	261.325	3.007	20	30		CGEDRM
C=CCCCC(=O)OCc1cccc(NC(=O)[O-])c1	ZINC000823496428	605548362	/nfs/dbraw/zinc/54/83/62/605548362.db2.gz	IXZIDALZOHNNEK-UHFFFAOYSA-N	-1	0	263.293	3.176	20	30		CGEDRM
CC(=NNc1ccc2n[nH]cc2c1)c1ccc(C(=O)[O-])cc1	ZINC000833387226	605584487	/nfs/dbraw/zinc/58/44/87/605584487.db2.gz	VVQXLUGCIHQEKH-UHFFFAOYSA-N	-1	0	294.314	3.097	20	30		CGEDRM
C=CCCCN(C)C(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823496534	605693815	/nfs/dbraw/zinc/69/38/15/605693815.db2.gz	KWAPNYUMZMERGJ-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
C#Cc1ccc(NC(=O)[C@@](C)(CC)CC(=O)[O-])c(Cl)c1	ZINC000899841833	620731482	/nfs/dbraw/zinc/73/14/82/620731482.db2.gz	GBJKGGGFASWZPH-HNNXBMFYSA-N	-1	0	293.750	3.151	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)CC(C)(C)C(=O)[O-])c1	ZINC000899854712	620731795	/nfs/dbraw/zinc/73/17/95/620731795.db2.gz	NJMJUQRAVYGUNN-UHFFFAOYSA-N	-1	0	261.321	3.159	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)NCc1cccc(Cl)c1O	ZINC000890759936	617816200	/nfs/dbraw/zinc/81/62/00/617816200.db2.gz	WHEMONWRAYUCOS-AWEZNQCLSA-N	-1	0	267.756	3.264	20	30		CGEDRM
COc1ccc(F)c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255079063	617915025	/nfs/dbraw/zinc/91/50/25/617915025.db2.gz	KONBGHZXFSGPRP-UHFFFAOYSA-N	-1	0	290.250	3.199	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042320533	620767342	/nfs/dbraw/zinc/76/73/42/620767342.db2.gz	GPKHCWSHCJQKGL-MDZDMXLPSA-N	-1	0	281.377	3.380	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2o1	ZINC000255279976	618155785	/nfs/dbraw/zinc/15/57/85/618155785.db2.gz	NRDJRINYVQMQLM-KRZKBDHCSA-N	-1	0	278.267	3.310	20	30		CGEDRM
O=C1c2cc(F)ccc2C/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000255317666	618193376	/nfs/dbraw/zinc/19/33/76/618193376.db2.gz	GRRPZLHICCMXIE-VZUCSPMQSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	ZINC000042343828	620788657	/nfs/dbraw/zinc/78/86/57/620788657.db2.gz	FQNOTBHZLCFFQM-RYUDHWBXSA-N	-1	0	287.425	3.311	20	30		CGEDRM
COCc1cccc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000255423074	618441275	/nfs/dbraw/zinc/44/12/75/618441275.db2.gz	OEUYHTPZDVBQTK-KTKRTIGZSA-N	-1	0	268.312	3.435	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\C2CCCCC2)c1	ZINC000255572809	618719317	/nfs/dbraw/zinc/71/93/17/618719317.db2.gz	CWZLGEYNVDOXIX-CLFYSBASSA-N	-1	0	270.332	3.339	20	30		CGEDRM
COCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255657658	618771940	/nfs/dbraw/zinc/77/19/40/618771940.db2.gz	ZEVIZJPMCGQFJW-UHFFFAOYSA-N	-1	0	286.287	3.197	20	30		CGEDRM
COc1cccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000255919888	618884733	/nfs/dbraw/zinc/88/47/33/618884733.db2.gz	ZAUIBAGLWSYHDO-YVMONPNESA-N	-1	0	299.282	3.205	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000072595076	625312451	/nfs/dbraw/zinc/31/24/51/625312451.db2.gz	WPOAWYMADRQWBD-NSHDSACASA-N	-1	0	269.366	3.076	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000072595066	625312531	/nfs/dbraw/zinc/31/25/31/625312531.db2.gz	GOLMOOIUZYNZTE-LLVKDONJSA-N	-1	0	269.366	3.076	20	30		CGEDRM
COC[C@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000777893803	619184442	/nfs/dbraw/zinc/18/44/42/619184442.db2.gz	VSHVRNRGQZJACL-ZETCQYMHSA-N	-1	0	291.178	3.048	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)C1CC1	ZINC000049135011	619701924	/nfs/dbraw/zinc/70/19/24/619701924.db2.gz	QVJVLRAGWVBFIS-LLVKDONJSA-N	-1	0	281.377	3.076	20	30		CGEDRM
C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F	ZINC000840712061	620140444	/nfs/dbraw/zinc/14/04/44/620140444.db2.gz	FQYUDRXTLLNSAP-XUNMKLQISA-N	-1	0	290.241	3.308	20	30		CGEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000073086850	625430099	/nfs/dbraw/zinc/43/00/99/625430099.db2.gz	WDCOZKJDRULZPC-ZETCQYMHSA-N	-1	0	295.813	3.339	20	30		CGEDRM
CCC(CC)NN=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901197132	620841341	/nfs/dbraw/zinc/84/13/41/620841341.db2.gz	UPGRVBLQCGBYCG-UHFFFAOYSA-N	-1	0	274.773	3.212	20	30		CGEDRM
CC(=NNC1C[C@H](C)O[C@@H](C)C1)[C@H](C)CCCCC(=O)[O-]	ZINC000901304267	620851493	/nfs/dbraw/zinc/85/14/93/620851493.db2.gz	RUPCKDRNYVNCPS-AGIUHOORSA-N	-1	0	298.427	3.189	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1c(CC)oc2ccccc21	ZINC000901585796	620948568	/nfs/dbraw/zinc/94/85/68/620948568.db2.gz	FBHGJWUJAPEENM-UHFFFAOYSA-N	-1	0	273.332	3.068	20	30		CGEDRM
C=C(Cl)CNCc1ccc(C(=O)[O-])cc1C(F)(F)F	ZINC000902272002	621235825	/nfs/dbraw/zinc/23/58/25/621235825.db2.gz	BWUYLGGXEJMVNH-UHFFFAOYSA-N	-1	0	293.672	3.246	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000907582082	622302435	/nfs/dbraw/zinc/30/24/35/622302435.db2.gz	OUFQRAMTTCTKCN-UMAGTOLTSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=C[C@H](CC)CC(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908328341	622345135	/nfs/dbraw/zinc/34/51/35/622345135.db2.gz	LKLPLBOKWNPOJI-CYBMUJFWSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(CCC(=O)[O-])Cc1ccccc1	ZINC000908578918	622359134	/nfs/dbraw/zinc/35/91/34/622359134.db2.gz	GGOHCNYZPIHDEH-UHFFFAOYSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1	ZINC000909095720	622391441	/nfs/dbraw/zinc/39/14/41/622391441.db2.gz	GFGTYFCWUMAIHI-VMPITWQZSA-N	-1	0	271.316	3.079	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000909096893	622391648	/nfs/dbraw/zinc/39/16/48/622391648.db2.gz	BLMYTWPUQUSJLM-YFHOEESVSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909298029	622414294	/nfs/dbraw/zinc/41/42/94/622414294.db2.gz	XCJNSWCWUUBAHO-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000909283948	622415874	/nfs/dbraw/zinc/41/58/74/622415874.db2.gz	WLCIRMQIZUDKSC-INIZCTEOSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC000909714184	622418529	/nfs/dbraw/zinc/41/85/29/622418529.db2.gz	VDKVBNUATBFAJR-GFCCVEGCSA-N	-1	0	295.766	3.106	20	30		CGEDRM
C#CCCCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909836021	622429628	/nfs/dbraw/zinc/42/96/28/622429628.db2.gz	ZJFBSBJATPHIRJ-LBPRGKRZSA-N	-1	0	273.332	3.007	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1oc(C(=O)[O-])cc1C	ZINC000909933649	622437817	/nfs/dbraw/zinc/43/78/17/622437817.db2.gz	YVVXZHWWQZHMJJ-RYUDHWBXSA-N	-1	0	291.347	3.151	20	30		CGEDRM
CC(=O)Nc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000199986264	623252321	/nfs/dbraw/zinc/25/23/21/623252321.db2.gz	TYZLHSJJXYRANH-FLIBITNWSA-N	-1	0	281.311	3.247	20	30		CGEDRM
Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000152083358	623615261	/nfs/dbraw/zinc/61/52/61/623615261.db2.gz	NMYGLEKESOYINQ-SECBINFHSA-N	-1	0	299.330	3.001	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@@H]3CCCC[C@@H]3C2)n1	ZINC000916241424	624124395	/nfs/dbraw/zinc/12/43/95/624124395.db2.gz	AIYIXTPWCOBKAG-NWDGAFQWSA-N	-1	0	274.368	3.249	20	30		CGEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(C)c1O	ZINC000916255184	624125478	/nfs/dbraw/zinc/12/54/78/624125478.db2.gz	IHPIIGNMSQLDBH-UHFFFAOYSA-N	-1	0	284.315	3.153	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2csc(C3CC3)n2)cc1	ZINC000920360599	624482825	/nfs/dbraw/zinc/48/28/25/624482825.db2.gz	YXVWCDTZSYVTQG-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1	ZINC000091127217	625824234	/nfs/dbraw/zinc/82/42/34/625824234.db2.gz	XTTRJHCUQQJGKJ-UHFFFAOYSA-N	-1	0	297.376	3.085	20	30		CGEDRM
CC[C@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)C(C)C	ZINC000086056706	625981116	/nfs/dbraw/zinc/98/11/16/625981116.db2.gz	GKPIJPDAAOTWBI-LLVKDONJSA-N	-1	0	275.414	3.288	20	30		CGEDRM
Cn1cc(C=NNc2cccc(C(=O)[O-])c2)c2ccccc21	ZINC000755472211	626624802	/nfs/dbraw/zinc/62/48/02/626624802.db2.gz	NEYCWFNILYQSRW-UHFFFAOYSA-N	-1	0	293.326	3.323	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)c([O-])c1	ZINC000755599093	626631291	/nfs/dbraw/zinc/63/12/91/626631291.db2.gz	OWDGQJIOOMNLQT-UTCJRWHESA-N	-1	0	272.275	3.441	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000757475431	626782342	/nfs/dbraw/zinc/78/23/42/626782342.db2.gz	KHNKKIVAFPYAEX-SREVYHEPSA-N	-1	0	290.750	3.292	20	30		CGEDRM
COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cc1	ZINC000757475286	626782457	/nfs/dbraw/zinc/78/24/57/626782457.db2.gz	ITFHBEYECUCOFE-POHAHGRESA-N	-1	0	296.322	3.383	20	30		CGEDRM
Cc1cc(NN=Cc2cc(Cl)c([O-])cc2Cl)ncn1	ZINC000758109275	626827634	/nfs/dbraw/zinc/82/76/34/626827634.db2.gz	HOJJKQQPQACKCL-UHFFFAOYSA-N	-1	0	297.145	3.243	20	30		CGEDRM
C=CCCC(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000758129630	626829480	/nfs/dbraw/zinc/82/94/80/626829480.db2.gz	QCXZBUVIZMWBSV-UHFFFAOYSA-N	-1	0	262.309	3.147	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc3c(c2)ncn3C)c([O-])c1	ZINC000761206339	627025652	/nfs/dbraw/zinc/02/56/52/627025652.db2.gz	UNHXNIJRJTWHDV-VMPITWQZSA-N	-1	0	292.338	3.483	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@H](C)c2cccc(Cl)c2)n1	ZINC000763339805	627152982	/nfs/dbraw/zinc/15/29/82/627152982.db2.gz	RXACNJLHUSRBOF-VIFPVBQESA-N	-1	0	290.754	3.345	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccs1	ZINC000763371683	627154253	/nfs/dbraw/zinc/15/42/53/627154253.db2.gz	IDISCXLHLSFLKI-UHFFFAOYSA-N	-1	0	275.333	3.068	20	30		CGEDRM
CC1(C)CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000768268287	627471700	/nfs/dbraw/zinc/47/17/00/627471700.db2.gz	GWSFVQNNACZODS-BTAWCLGRSA-N	-1	0	262.309	3.298	20	30		CGEDRM
COc1cc(F)cc(NN=C(C)c2sccc2[O-])c1	ZINC000769794320	627578226	/nfs/dbraw/zinc/57/82/26/627578226.db2.gz	TYFGGSFDBPWDCE-UHFFFAOYSA-N	-1	0	280.324	3.438	20	30		CGEDRM
CC1(C)CCC/C(=C\c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000772801211	627824184	/nfs/dbraw/zinc/82/41/84/627824184.db2.gz	LCGDOLPNDQDFMS-CSKARUKUSA-N	-1	0	275.304	3.463	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)o1	ZINC000774130655	627949186	/nfs/dbraw/zinc/94/91/86/627949186.db2.gz	MLMODSKLIPBDIK-VURMDHGXSA-N	-1	0	270.284	3.436	20	30		CGEDRM
CC(CCCC(F)(F)F)N=Nc1ccc(C(=O)[O-])cn1	ZINC000774395890	627984891	/nfs/dbraw/zinc/98/48/91/627984891.db2.gz	GMGYIKZVBNSKTG-UHFFFAOYSA-N	-1	0	289.257	3.300	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cccc(F)c2)ccc1O	ZINC000779358314	628409447	/nfs/dbraw/zinc/40/94/47/628409447.db2.gz	OXHZDYDRKBTTJM-XQRVVYSFSA-N	-1	0	286.258	3.126	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000779357125	628409604	/nfs/dbraw/zinc/40/96/04/628409604.db2.gz	ANGJVOSKNHDJFE-YWEYNIOJSA-N	-1	0	282.295	3.295	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2CCC=CO2)c1[O-]	ZINC000780150906	628458001	/nfs/dbraw/zinc/45/80/01/628458001.db2.gz	ZKINHEGZVWNRJX-LYGDGENHSA-N	-1	0	296.710	3.065	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000782347655	628641476	/nfs/dbraw/zinc/64/14/76/628641476.db2.gz	MBEQNELECODBDZ-DJWKRKHSSA-N	-1	0	275.254	3.270	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2ccc(OC)cc2[O-])s1	ZINC000783710165	628741929	/nfs/dbraw/zinc/74/19/29/628741929.db2.gz	BJBPIASPCGAYMM-SREVYHEPSA-N	-1	0	289.356	3.316	20	30		CGEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cncs1	ZINC000787169602	628998822	/nfs/dbraw/zinc/99/88/22/628998822.db2.gz	OZMBIWOIWPXWFY-UPHRSURJSA-N	-1	0	267.256	3.023	20	30		CGEDRM
C#CCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCCC1	ZINC000788521099	629062773	/nfs/dbraw/zinc/06/27/73/629062773.db2.gz	LUTDYHIRRNQYPD-UHFFFAOYSA-N	-1	0	282.343	3.176	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)nc1	ZINC000789005722	629096230	/nfs/dbraw/zinc/09/62/30/629096230.db2.gz	STFIKBSQORFRSI-CQSZACIVSA-N	-1	0	295.342	3.168	20	30		CGEDRM
Cc1ccc2nc(C=CC(=O)c3sccc3[O-])cn2c1	ZINC000789147009	629108193	/nfs/dbraw/zinc/10/81/93/629108193.db2.gz	FEVBWHNLHAYXDK-ARJAWSKDSA-N	-1	0	284.340	3.306	20	30		CGEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1c(F)cccc1Cl	ZINC000793058340	629406658	/nfs/dbraw/zinc/40/66/58/629406658.db2.gz	TTYMCYISIFKBFL-NSHDSACASA-N	-1	0	286.734	3.046	20	30		CGEDRM
CC[C@@H](NN=Cc1sc2ccccc2c1Cl)C(=O)[O-]	ZINC000793073449	629408102	/nfs/dbraw/zinc/40/81/02/629408102.db2.gz	VMYHSIIPFZZWAI-SECBINFHSA-N	-1	0	296.779	3.341	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc2c3c(cccc31)CC2)C(=O)[O-]	ZINC000793078954	629408514	/nfs/dbraw/zinc/40/85/14/629408514.db2.gz	PUFNHGBVYMGLDY-MRXNPFEDSA-N	-1	0	296.370	3.115	20	30		CGEDRM
CC[C@@H](NN=C1CC(c2ccc(Cl)cc2)C1)C(=O)[O-]	ZINC000793080484	629408801	/nfs/dbraw/zinc/40/88/01/629408801.db2.gz	ZMEDAYQHQXWSTF-JLOHTSLTSA-N	-1	0	280.755	3.026	20	30		CGEDRM
CC1(CNN=Cc2cc(F)c([O-])c(F)c2)CCCC1	ZINC000793081327	629408911	/nfs/dbraw/zinc/40/89/11/629408911.db2.gz	JQVFTPUISLYICZ-UHFFFAOYSA-N	-1	0	268.307	3.174	20	30		CGEDRM
CC1(O)CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000863065437	629466358	/nfs/dbraw/zinc/46/63/58/629466358.db2.gz	TUOKHLCGOPGQAM-UHFFFAOYSA-N	-1	0	296.754	3.131	20	30		CGEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1cc(C)ccc1C	ZINC000863081346	629468273	/nfs/dbraw/zinc/46/82/73/629468273.db2.gz	GRZNGSJKXLWSHW-UHFFFAOYSA-N	-1	0	294.362	3.196	20	30		CGEDRM
CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736421	629498862	/nfs/dbraw/zinc/49/88/62/629498862.db2.gz	WLWBIHSCCKSIQP-OLZOCXBDSA-N	-1	0	272.348	3.419	20	30		CGEDRM
CC(=NNCCC(F)(F)F)c1cc(Cl)ccc1O	ZINC000794546077	629553824	/nfs/dbraw/zinc/55/38/24/629553824.db2.gz	PUZDGBVSUNTLOZ-UHFFFAOYSA-N	-1	0	280.677	3.312	20	30		CGEDRM
C[C@@H]1CC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000794848509	629587716	/nfs/dbraw/zinc/58/77/16/629587716.db2.gz	PMICGVHNBTZTTQ-SCVIVROUSA-N	-1	0	262.309	3.156	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cncc(F)c1	ZINC000794942427	629604150	/nfs/dbraw/zinc/60/41/50/629604150.db2.gz	MYRGPYCKYRLTND-ARJAWSKDSA-N	-1	0	299.301	3.432	20	30		CGEDRM
CCCCCCCNC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864158950	629787157	/nfs/dbraw/zinc/78/71/57/629787157.db2.gz	JWBWOJZJNSAOSH-BQYQJAHWSA-N	-1	0	279.336	3.078	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864188396	629794341	/nfs/dbraw/zinc/79/43/41/629794341.db2.gz	IDZLWEXQKATZHN-VQHVLOKHSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000864189326	629796240	/nfs/dbraw/zinc/79/62/40/629796240.db2.gz	NZKODMVYKGXHOQ-MNOVXSKESA-N	-1	0	289.803	3.161	20	30		CGEDRM
Cc1oc(C#N)cc1C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000797937914	630004533	/nfs/dbraw/zinc/00/45/33/630004533.db2.gz	XHDAMMYHQFMFRW-UHFFFAOYSA-N	-1	0	299.311	3.142	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC(C(F)F)CC2)nc1	ZINC000799483278	630188548	/nfs/dbraw/zinc/18/85/48/630188548.db2.gz	WFCPZTGNYQOHJG-UHFFFAOYSA-N	-1	0	283.278	3.003	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)oc1C	ZINC000799896223	630240488	/nfs/dbraw/zinc/24/04/88/630240488.db2.gz	HMUARPJTKXOBOO-GQCTYLIASA-N	-1	0	287.271	3.406	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H](C)C(C)(C)C	ZINC000800814894	630301885	/nfs/dbraw/zinc/30/18/85/630301885.db2.gz	CRTHWJGZYYUXPB-SNVBAGLBSA-N	-1	0	278.352	3.473	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNCC1CCCC1)CCC2	ZINC000808005877	630616730	/nfs/dbraw/zinc/61/67/30/630616730.db2.gz	LEWLWRSGDOECLP-UHFFFAOYSA-N	-1	0	290.363	3.106	20	30		CGEDRM
Cn1cncc1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000811624889	631093596	/nfs/dbraw/zinc/09/35/96/631093596.db2.gz	VHYXUUVQHJCRBR-SYZQJQIISA-N	-1	0	284.146	3.052	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000811628407	631094431	/nfs/dbraw/zinc/09/44/31/631094431.db2.gz	WUMAUEKOONYOMR-GJZGRUSLSA-N	-1	0	293.407	3.296	20	30		CGEDRM
C=C(C)CNN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000811651359	631098149	/nfs/dbraw/zinc/09/81/49/631098149.db2.gz	TWERKYAZBZVOGH-UHFFFAOYSA-N	-1	0	259.136	3.199	20	30		CGEDRM
CC(=NOC/C=C/Cl)c1ccc(C(=O)[O-])c(F)c1	ZINC000811672440	631109459	/nfs/dbraw/zinc/10/94/59/631109459.db2.gz	YZUCQTLFNIDXAP-MDIBBOIVSA-N	-1	0	271.675	3.017	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(Cl)cc1	ZINC000812442741	631261916	/nfs/dbraw/zinc/26/19/16/631261916.db2.gz	IBYUWTSNJZRQLT-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccccc2Cl)c1	ZINC000814691272	631624251	/nfs/dbraw/zinc/62/42/51/631624251.db2.gz	UDKQEEVMFAWFIR-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
CO[C@@](C)(CN=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1	ZINC000814689248	631624468	/nfs/dbraw/zinc/62/44/68/631624468.db2.gz	XSUUVCKKKVBQMR-AWEZNQCLSA-N	-1	0	296.754	3.251	20	30		CGEDRM
CC(N=Nc1cncc(Cl)n1)[C@H](C)CCCCC(=O)[O-]	ZINC000814798024	631641595	/nfs/dbraw/zinc/64/15/95/631641595.db2.gz	WDXBOWHTEYMFMM-SECBINFHSA-N	-1	0	298.774	3.199	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NOC1CCCCC1	ZINC000814909341	631677142	/nfs/dbraw/zinc/67/71/42/631677142.db2.gz	HUBCNXBCYWDYCJ-MNOVXSKESA-N	-1	0	253.342	3.213	20	30		CGEDRM
C[C@@H]1C(=NN[C@@H]2CCCCC2(C)C)CC[C@H]1CC(=O)[O-]	ZINC000814917070	631681266	/nfs/dbraw/zinc/68/12/66/631681266.db2.gz	HIQZEXRKSWWSKC-SGMGOOAPSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H](NN=C1CC(C(=O)[O-])(c2ccccc2)C1)C(C)(C)C	ZINC000814938082	631692832	/nfs/dbraw/zinc/69/28/32/631692832.db2.gz	VMWQXSHQBJLCOI-MTATWXBHSA-N	-1	0	288.391	3.183	20	30		CGEDRM
O=C([O-])c1cccc(C=NOCCC2CC2)c1Cl	ZINC000814941493	631693785	/nfs/dbraw/zinc/69/37/85/631693785.db2.gz	JKWZCPAWIWEDJU-UHFFFAOYSA-N	-1	0	267.712	3.189	20	30		CGEDRM
O=C([N-][C@H](C1CCCC1)C(F)(F)F)C(F)C(F)(F)F	ZINC000815769795	631823885	/nfs/dbraw/zinc/82/38/85/631823885.db2.gz	RSMDHVMMWQPPRO-RNFRBKRXSA-N	-1	0	295.198	3.124	20	30		CGEDRM
CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000210008742	635777908	/nfs/dbraw/zinc/77/79/08/635777908.db2.gz	ONYIAECKFLEMQX-YHYXMXQVSA-N	-1	0	284.311	3.393	20	30		CGEDRM
C=C(C)CON=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000844619036	635942571	/nfs/dbraw/zinc/94/25/71/635942571.db2.gz	AISXLTWQBSXQEC-UHFFFAOYSA-N	-1	0	291.347	3.051	20	30		CGEDRM
CC(=NOCc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000825808820	633382534	/nfs/dbraw/zinc/38/25/34/633382534.db2.gz	FKKVUEQWPRZSMV-UHFFFAOYSA-N	-1	0	269.300	3.326	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](c1cccnc1)C1CCCCC1	ZINC000869153565	633408881	/nfs/dbraw/zinc/40/88/81/633408881.db2.gz	CYMBDERMUHWTGX-CZUORRHYSA-N	-1	0	288.391	3.368	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCC(F)(F)C2)cc1	ZINC000872324426	634108849	/nfs/dbraw/zinc/10/88/49/634108849.db2.gz	RDUBTNGUXLJXMV-VIFPVBQESA-N	-1	0	268.263	3.218	20	30		CGEDRM
C[C@@H]1CC[C@@H](C)C(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000834966544	634296688	/nfs/dbraw/zinc/29/66/88/634296688.db2.gz	JXOJVTJZBYUYLC-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H]1CCCC[C@H]1C	ZINC000834966244	634297077	/nfs/dbraw/zinc/29/70/77/634297077.db2.gz	FNZRYSDMGDEFQZ-MFKMUULPSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CCC(=NNC1CC[C@@H](c2ccc(Cl)cc2)C1)C(=O)[O-]	ZINC000834981186	634303005	/nfs/dbraw/zinc/30/30/05/634303005.db2.gz	JOMMZOKAPBOUAV-RISCZKNCSA-N	-1	0	294.782	3.416	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCF)cc1F	ZINC000835008588	634313558	/nfs/dbraw/zinc/31/35/58/634313558.db2.gz	HJAKXURHWYPYQZ-SECBINFHSA-N	-1	0	282.290	3.452	20	30		CGEDRM
C#CCCN(Cc1ccc(F)c(F)c1[O-])CC(F)(F)F	ZINC000877393521	635034539	/nfs/dbraw/zinc/03/45/39/635034539.db2.gz	ZDWJIJCSPXFIRN-UHFFFAOYSA-N	-1	0	293.235	3.058	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC2CC(F)(F)C2)c1	ZINC000840708351	635038078	/nfs/dbraw/zinc/03/80/78/635038078.db2.gz	AJEDPVGVHIOOQK-LZYBPNLTSA-N	-1	0	284.262	3.155	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2cccc(Cl)c2Cl)C1	ZINC000841644671	635207291	/nfs/dbraw/zinc/20/72/91/635207291.db2.gz	JQOQVZQEPRHYOW-UHFFFAOYSA-N	-1	0	273.119	3.256	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845837828	636105471	/nfs/dbraw/zinc/10/54/71/636105471.db2.gz	POCVXCNTQMJSPK-IYMAKHKGSA-N	-1	0	287.384	3.485	20	30		CGEDRM
N#CC(C(=O)c1ccoc1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835580	636105605	/nfs/dbraw/zinc/10/56/05/636105605.db2.gz	CMDOWSHMVIVAOQ-LBPRGKRZSA-N	-1	0	299.351	3.425	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(OC)c2)CCCC1	ZINC000846539216	636195946	/nfs/dbraw/zinc/19/59/46/636195946.db2.gz	RGBKRLUZWJMSPC-UHFFFAOYSA-N	-1	0	289.375	3.131	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1ccccc1)[C@H](C)CC	ZINC000846539210	636196268	/nfs/dbraw/zinc/19/62/68/636196268.db2.gz	RFKZWDKOFYVNEJ-UKRRQHHQSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(C)c2)CCC1	ZINC000846543014	636197411	/nfs/dbraw/zinc/19/74/11/636197411.db2.gz	FPCLDOZPJQNYSL-ZDUSSCGKSA-N	-1	0	259.349	3.039	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1ccc(Cl)s1	ZINC000846544537	636197524	/nfs/dbraw/zinc/19/75/24/636197524.db2.gz	BRCIISZBGFIITE-HTQZYQBOSA-N	-1	0	259.758	3.127	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC(C)C)c1ccccc1	ZINC000846547953	636198638	/nfs/dbraw/zinc/19/86/38/636198638.db2.gz	RHBLHFUIRFGXSH-UKRRQHHQSA-N	-1	0	261.365	3.439	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(C)cc2)CCC1	ZINC000846554589	636201720	/nfs/dbraw/zinc/20/17/20/636201720.db2.gz	MDFWTTPLVRGKDW-ZDUSSCGKSA-N	-1	0	259.349	3.039	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(C2CC2)c1	ZINC000847622962	636404099	/nfs/dbraw/zinc/40/40/99/636404099.db2.gz	VTECKAHFIAPOQN-INIZCTEOSA-N	-1	0	298.386	3.193	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CC[C@H]2C2CCC2)cc1	ZINC000848414083	636570329	/nfs/dbraw/zinc/57/03/29/636570329.db2.gz	IXLKVUITSKWHIQ-AWEZNQCLSA-N	-1	0	272.348	3.292	20	30		CGEDRM
CC1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000848415905	636571828	/nfs/dbraw/zinc/57/18/28/636571828.db2.gz	RZBDSXQGOLDJBF-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
C=CCCC1(CNC(=O)N(C)C(C)(C)C(=O)[O-])CCCC1	ZINC000849238399	636774595	/nfs/dbraw/zinc/77/45/95/636774595.db2.gz	XWKUMRDTVXTQKD-UHFFFAOYSA-N	-1	0	296.411	3.018	20	30		CGEDRM
CCCCCCCC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000110300928	637551611	/nfs/dbraw/zinc/55/16/11/637551611.db2.gz	JTMPOSROMCCCAK-UHFFFAOYSA-N	-1	0	269.385	3.060	20	30		CGEDRM
CC(C)(C)O[C@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000852998448	637727680	/nfs/dbraw/zinc/72/76/80/637727680.db2.gz	LRBCSXIVUFDIHY-BVWSIMCRSA-N	-1	0	292.335	3.065	20	30		CGEDRM
CC(C)(C)C(F)(F)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000852997965	637727980	/nfs/dbraw/zinc/72/79/80/637727980.db2.gz	FZEKZIRORSUYBD-FRKPEAEDSA-N	-1	0	286.278	3.401	20	30		CGEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])nc2)[C@H]2CCC[C@H]21	ZINC000853354639	637823575	/nfs/dbraw/zinc/82/35/75/637823575.db2.gz	QFTVELTUXIMYHH-WDEREUQCSA-N	-1	0	273.336	3.004	20	30		CGEDRM
C#CC1CCC(N=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000853370348	637826831	/nfs/dbraw/zinc/82/68/31/637826831.db2.gz	KQJAUYXNFLAPHJ-UHFFFAOYSA-N	-1	0	270.332	3.285	20	30		CGEDRM
CN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C1(C#N)CCC1	ZINC000930592418	639032849	/nfs/dbraw/zinc/03/28/49/639032849.db2.gz	VIJDOAQXVPRTAY-UHFFFAOYSA-N	-1	0	299.157	3.217	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250453	639914249	/nfs/dbraw/zinc/91/42/49/639914249.db2.gz	WVQUFUGXJJCASH-UHFFFAOYSA-N	-1	0	273.329	3.051	20	30		CGEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407553	640052585	/nfs/dbraw/zinc/05/25/85/640052585.db2.gz	LXUPEAYYPLKCJI-HZMBPMFUSA-N	-1	0	289.356	3.141	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000076758825	640212752	/nfs/dbraw/zinc/21/27/52/640212752.db2.gz	VQDBKWVTFSBPSP-VIFPVBQESA-N	-1	0	289.784	3.421	20	30		CGEDRM
COc1ccc(OC)c(C=CC(=O)c2sccc2[O-])c1	ZINC000193147720	640435945	/nfs/dbraw/zinc/43/59/45/640435945.db2.gz	NOTWTWOQTRBREC-HWKANZROSA-N	-1	0	290.340	3.367	20	30		CGEDRM
N#Cc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)ccc1F	ZINC001250637318	805742289	/nfs/dbraw/zinc/74/22/89/805742289.db2.gz	ACFWJAMNCKRHLY-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC001250915992	805796996	/nfs/dbraw/zinc/79/69/96/805796996.db2.gz	LLTNHFOHXTWMGD-JTQLQIEISA-N	-1	0	292.385	3.176	20	30		CGEDRM
Cc1cccc(-c2nnc(CCC(=O)C3=CC=C[CH]3)o2)c1	ZINC001253673978	806278167	/nfs/dbraw/zinc/27/81/67/806278167.db2.gz	SQPSZDURQVDAAU-UHFFFAOYSA-N	-1	0	279.319	3.247	20	30		CGEDRM
Cc1ccc(Nc2cccc(F)c2C#N)cc1C(=O)[O-]	ZINC000093396261	798963556	/nfs/dbraw/zinc/96/35/56/798963556.db2.gz	WVXMAZPWQIZNJA-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc3ncccc32)c1	ZINC000176399658	799095436	/nfs/dbraw/zinc/09/54/36/799095436.db2.gz	FHSPKCIKSJGITO-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC000397026454	799513694	/nfs/dbraw/zinc/51/36/94/799513694.db2.gz	NDXWMJYALGWSLC-QWHCGFSZSA-N	-1	0	269.385	3.059	20	30		CGEDRM
CCn1nccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480236	799699966	/nfs/dbraw/zinc/69/99/66/799699966.db2.gz	CDBFIIWILYWPFU-XQRVVYSFSA-N	-1	0	276.723	3.158	20	30		CGEDRM
COC(=O)c1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588495773	799701306	/nfs/dbraw/zinc/70/13/06/799701306.db2.gz	VEIFVAJMEXZTCC-DAXSKMNVSA-N	-1	0	288.324	3.136	20	30		CGEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588534963	799707356	/nfs/dbraw/zinc/70/73/56/799707356.db2.gz	DWENZAJOIIJQJV-HYXAFXHYSA-N	-1	0	297.141	3.329	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	ZINC001164413859	806945809	/nfs/dbraw/zinc/94/58/09/806945809.db2.gz	JEALUTNYVGPRLM-ZQDZILKHSA-N	-1	0	283.412	3.086	20	30		CGEDRM
N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cs1	ZINC001256726806	806960000	/nfs/dbraw/zinc/96/00/00/806960000.db2.gz	CDHSBBRUMNNHMW-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(CCC(=O)[O-])cc2)n1	ZINC001244187519	803233440	/nfs/dbraw/zinc/23/34/40/803233440.db2.gz	QWSHHIWCAPKDLN-UHFFFAOYSA-N	-1	0	298.342	3.034	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(C#N)c(C)cn1	ZINC001244420464	803362109	/nfs/dbraw/zinc/36/21/09/803362109.db2.gz	MWRRCLFGZCTKDD-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
Cc1cnc(-c2cc(F)c([O-])c(Cl)c2)cc1C#N	ZINC001244499082	803405013	/nfs/dbraw/zinc/40/50/13/803405013.db2.gz	DPRCUJWFLGTCKK-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cc(-c2c(Cl)ccc([O-])c2F)cnc1F	ZINC001244543284	803430594	/nfs/dbraw/zinc/43/05/94/803430594.db2.gz	QQGCYQBYKSBPMF-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
COc1ccc(-c2ccc(Cl)c([O-])c2F)nc1CC#N	ZINC001244631840	803475061	/nfs/dbraw/zinc/47/50/61/803475061.db2.gz	VFPLHPRQQYOHSM-UHFFFAOYSA-N	-1	0	292.697	3.321	20	30		CGEDRM
N#Cc1cnc(-c2cnc(F)c(C(=O)[O-])c2)c2sccc21	ZINC001244752936	803520255	/nfs/dbraw/zinc/52/02/55/803520255.db2.gz	SUMLZSQNXUIEFV-UHFFFAOYSA-N	-1	0	299.286	3.067	20	30		CGEDRM
C=C(C)c1cncc(-c2cc(C(=O)[O-])cnc2F)c1	ZINC001244761526	803522521	/nfs/dbraw/zinc/52/25/21/803522521.db2.gz	NDZZREDCHUSOPI-UHFFFAOYSA-N	-1	0	258.252	3.014	20	30		CGEDRM
Cc1ccc(-c2cc(C)c(C(=O)[O-])c(C)c2)nc1C#N	ZINC001244945714	803585771	/nfs/dbraw/zinc/58/57/71/803585771.db2.gz	LJVQMOHCYMOFEL-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cnc2c(C#N)c[nH]c2c1	ZINC001245299778	803695047	/nfs/dbraw/zinc/69/50/47/803695047.db2.gz	KPMSJESKLZXURJ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#CCCOc1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1	ZINC001245318869	803699865	/nfs/dbraw/zinc/69/98/65/803699865.db2.gz	QOLFAIKCLGGLNV-UHFFFAOYSA-N	-1	0	299.301	3.412	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2Cl)nc1	ZINC001245371787	803717235	/nfs/dbraw/zinc/71/72/35/803717235.db2.gz	SKXPIQLMDMQBSR-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
Cc1cnc(-c2cc([O-])c(F)c(F)c2F)cc1C#N	ZINC001245634872	803870434	/nfs/dbraw/zinc/87/04/34/803870434.db2.gz	ICBQRMFGVMQCDO-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#CCc1ccc(-c2cc([O-])c(F)c(F)c2F)cc1C#N	ZINC001245637806	803874959	/nfs/dbraw/zinc/87/49/59/803874959.db2.gz	WXAPNOWLRFQIFP-UHFFFAOYSA-N	-1	0	288.228	3.414	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1c([O-])cccc1F	ZINC001245651549	803882057	/nfs/dbraw/zinc/88/20/57/803882057.db2.gz	DDZRUTFELMSDEK-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1c([O-])cccc1F	ZINC001245652009	803882925	/nfs/dbraw/zinc/88/29/25/803882925.db2.gz	KLACFEVIOPINSJ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1ccc(-c2cc(Cl)c([O-])cc2F)nc1C#N	ZINC001245667981	803896697	/nfs/dbraw/zinc/89/66/97/803896697.db2.gz	OWIKEMRMAYVYBC-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
C[C@H]1CCC[C@@H]1n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245932643	804063141	/nfs/dbraw/zinc/06/31/41/804063141.db2.gz	JUSQXMRPBNZVDM-NHYWBVRUSA-N	-1	0	267.332	3.488	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(Cc3ccccc3F)cc2=O)c1	ZINC001245933647	804063763	/nfs/dbraw/zinc/06/37/63/804063763.db2.gz	XCEDEHWYZYFTQE-UHFFFAOYSA-N	-1	0	293.301	3.179	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(Cc3ccccc3F)[n-]2)c1	ZINC001245937944	804069598	/nfs/dbraw/zinc/06/95/98/804069598.db2.gz	YPNVSFCRUFIOAX-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
C[C@@]1(C#N)CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140836255	804531516	/nfs/dbraw/zinc/53/15/16/804531516.db2.gz	SDNXQCNFVAOICE-ZDUSSCGKSA-N	-1	0	285.174	3.435	20	30		CGEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140834250	804531541	/nfs/dbraw/zinc/53/15/41/804531541.db2.gz	LRKBIZVDZZTEOW-VIFPVBQESA-N	-1	0	285.174	3.435	20	30		CGEDRM
C#C[C@H](NC(=O)c1ccc(Cl)c([O-])c1)c1ccccc1	ZINC001143136697	804807510	/nfs/dbraw/zinc/80/75/10/804807510.db2.gz	RZAXYGSUCPDHNP-AWEZNQCLSA-N	-1	0	285.730	3.150	20	30		CGEDRM
C=CCCCNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001148813835	805211378	/nfs/dbraw/zinc/21/13/78/805211378.db2.gz	IZUWKSSGNSLQTQ-UHFFFAOYSA-N	-1	0	274.147	3.395	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccccc2C)CCCC1	ZINC001149451664	805233551	/nfs/dbraw/zinc/23/35/51/805233551.db2.gz	DAYLDGQGPVWRLL-UHFFFAOYSA-N	-1	0	273.376	3.431	20	30		CGEDRM
CCCCN(CCC#N)Cc1ccc(F)c(C(=O)[O-])c1F	ZINC001249769949	805240267	/nfs/dbraw/zinc/24/02/67/805240267.db2.gz	SEKSTFZSPGFZGH-UHFFFAOYSA-N	-1	0	296.317	3.179	20	30		CGEDRM
N#Cc1cc(F)cc(NC(=O)c2c([O-])cccc2Cl)c1	ZINC001151647929	805303979	/nfs/dbraw/zinc/30/39/79/805303979.db2.gz	GKPBVNMDYPVOCW-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CSc1cnc(F)c(C=C([O-])c2ccc(C#N)cc2)c1	ZINC001250208104	805489954	/nfs/dbraw/zinc/48/99/54/805489954.db2.gz	AJMIMPFXMHBVKV-UHFFFAOYSA-N	-1	0	286.331	3.240	20	30		CGEDRM
Cc1csc([N-]S(=O)(=O)c2cccc(C)c2)c1C#N	ZINC001256855432	806992507	/nfs/dbraw/zinc/99/25/07/806992507.db2.gz	QBWBQFQJNGDAIN-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2csc(Cl)c2)cc1	ZINC001258038856	807271150	/nfs/dbraw/zinc/27/11/50/807271150.db2.gz	DINHKYDBYMUYMT-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#CC1CCC(=Nc2ncc(Br)cc2[O-])CC1	ZINC001212855277	815160303	/nfs/dbraw/zinc/16/03/03/815160303.db2.gz	UMPKSWIQJJZUAR-QMMMGPOBSA-N	-1	0	294.152	3.169	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1OC	ZINC001173888082	808743176	/nfs/dbraw/zinc/74/31/76/808743176.db2.gz	KHWIHYWVFNMVHZ-UHFFFAOYSA-N	-1	0	288.278	3.164	20	30		CGEDRM
COc1ccc(F)c(Nc2scc([O-])c2C#N)c1	ZINC001174209794	808900324	/nfs/dbraw/zinc/90/03/24/808900324.db2.gz	GBEZLOPXYKSFBI-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
N#Cc1ncc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1Cl	ZINC001174495308	809041865	/nfs/dbraw/zinc/04/18/65/809041865.db2.gz	LEKDTCVDVSHBHI-SNAWJCMRSA-N	-1	0	299.717	3.448	20	30		CGEDRM
Cc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1C#N	ZINC001174955029	809214133	/nfs/dbraw/zinc/21/41/33/809214133.db2.gz	YMHWEEZYUYDUHW-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(Cl)cnc1C#N	ZINC001174981723	809225009	/nfs/dbraw/zinc/22/50/09/809225009.db2.gz	GXLNJIGTPKYAPD-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cc(C(=O)[O-])ccc1C	ZINC001174982238	809225101	/nfs/dbraw/zinc/22/51/01/809225101.db2.gz	KVBSFJWELPRTNR-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CC(=O)c1ccccc1Nc1scc([O-])c1C#N	ZINC001175176604	809299200	/nfs/dbraw/zinc/29/92/00/809299200.db2.gz	UDLGFUSOEKNHOS-UHFFFAOYSA-N	-1	0	258.302	3.272	20	30		CGEDRM
CC(=O)c1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001175181808	809301080	/nfs/dbraw/zinc/30/10/80/809301080.db2.gz	XSHFTIUZKSDAPL-UHFFFAOYSA-N	-1	0	270.263	3.349	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001175219148	809312559	/nfs/dbraw/zinc/31/25/59/809312559.db2.gz	VRAPIMSYGRACAZ-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cnc(Nc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC001175328322	809356184	/nfs/dbraw/zinc/35/61/84/809356184.db2.gz	GXQUDQVEZCGQPW-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
CC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2)c(C#N)c1	ZINC001175330965	809358816	/nfs/dbraw/zinc/35/88/16/809358816.db2.gz	NEJXXCMJTOHXOP-UHFFFAOYSA-N	-1	0	280.283	3.203	20	30		CGEDRM
COc1ncc([N-]c2onc(C(C)(C)C)c2C#N)s1	ZINC001175389045	809386824	/nfs/dbraw/zinc/38/68/24/809386824.db2.gz	ULDHDHFRWPCSFI-UHFFFAOYSA-N	-1	0	278.337	3.052	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001291981905	809425339	/nfs/dbraw/zinc/42/53/39/809425339.db2.gz	VPEWCEJAWIDGNL-UHFFFAOYSA-N	-1	0	281.400	3.246	20	30		CGEDRM
N#Cc1cc(F)cc([N-]c2nnc(-c3ccco3)o2)c1	ZINC001175680541	809502489	/nfs/dbraw/zinc/50/24/89/809502489.db2.gz	ZRMSKOOREYPFAU-UHFFFAOYSA-N	-1	0	270.223	3.084	20	30		CGEDRM
C=CCCCCNC(=O)c1ccc(Cl)c([O-])c1	ZINC001296818823	809509612	/nfs/dbraw/zinc/50/96/12/809509612.db2.gz	UPEDGTSHSVAITI-UHFFFAOYSA-N	-1	0	253.729	3.132	20	30		CGEDRM
N#Cc1ccc(Cl)c(Nc2cncc(C(=O)[O-])c2)c1	ZINC001175841576	809553406	/nfs/dbraw/zinc/55/34/06/809553406.db2.gz	MITFGHIHHPDXRW-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
COc1cc(Nc2cccc(CC#N)c2)cc(C(=O)[O-])c1	ZINC001213595212	815308451	/nfs/dbraw/zinc/30/84/51/815308451.db2.gz	SPMUUUAARAEGEA-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
C#Cc1ccc(Nc2cc(OC)cc(C(=O)[O-])c2)cc1F	ZINC001213599733	815309005	/nfs/dbraw/zinc/30/90/05/815309005.db2.gz	WFNQFEPMQCAUGI-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1csc(C(=O)[O-])c1	ZINC001176440194	809698224	/nfs/dbraw/zinc/69/82/24/809698224.db2.gz	GSQBBZLPMWZMCR-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176664717	809738943	/nfs/dbraw/zinc/73/89/43/809738943.db2.gz	YMSDBFCLTUIGPE-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2)s1	ZINC001176707049	809745547	/nfs/dbraw/zinc/74/55/47/809745547.db2.gz	FICWDTCFYSXABJ-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
CCC1(CC)C[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001181887540	810080820	/nfs/dbraw/zinc/08/08/20/810080820.db2.gz	SARDPDLFQFXFMK-SNVBAGLBSA-N	-1	0	276.311	3.168	20	30		CGEDRM
C#CC(C)(C)C(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001182635265	810118695	/nfs/dbraw/zinc/11/86/95/810118695.db2.gz	BNTVTUYSPUERAZ-UHFFFAOYSA-N	-1	0	272.131	3.297	20	30		CGEDRM
CCCC1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184243748	810185287	/nfs/dbraw/zinc/18/52/87/810185287.db2.gz	MKXVQBPWFFJGMO-UHFFFAOYSA-N	-1	0	274.384	3.075	20	30		CGEDRM
N#Cc1c(F)ccc(NC(=O)c2cccc([S-])c2)c1F	ZINC001186153129	810316692	/nfs/dbraw/zinc/31/66/92/810316692.db2.gz	VXQNBFMBZHSOMO-UHFFFAOYSA-N	-1	0	290.294	3.377	20	30		CGEDRM
N#Cc1oc2ccccc2c1NC(=O)c1ccc([O-])c(F)c1	ZINC001186208957	810321798	/nfs/dbraw/zinc/32/17/98/810321798.db2.gz	LPPBKTBDDAXROC-UHFFFAOYSA-N	-1	0	296.257	3.401	20	30		CGEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccccc2)cs1	ZINC001193107286	810858712	/nfs/dbraw/zinc/85/87/12/810858712.db2.gz	SOINSQUQIUHETE-JTQLQIEISA-N	-1	0	292.385	3.069	20	30		CGEDRM
C[C@H]1C[C@H](NC(=O)c2ccc([O-])c(C#N)c2)c2ccccc21	ZINC001193515596	810902136	/nfs/dbraw/zinc/90/21/36/810902136.db2.gz	PDNWWOGXQDMZMN-ZBEGNZNMSA-N	-1	0	292.338	3.242	20	30		CGEDRM
CCCCCCCOC(=O)N=c1nc(C)[n-]s1	ZINC001193979936	810993925	/nfs/dbraw/zinc/99/39/25/810993925.db2.gz	AYVQYFGJLLOJPT-UHFFFAOYSA-N	-1	0	257.359	3.365	20	30		CGEDRM
N#Cc1ccc(F)c([N-]c2nnc(Br)s2)c1	ZINC001214590328	815428195	/nfs/dbraw/zinc/42/81/95/815428195.db2.gz	HBDDOHXELYXNNP-UHFFFAOYSA-N	-1	0	299.128	3.055	20	30		CGEDRM
C=C(C)c1ccccc1NC(=S)NC(=O)OCC	ZINC001195487365	811260359	/nfs/dbraw/zinc/26/03/59/811260359.db2.gz	UVNRETQYWLVPAD-UHFFFAOYSA-N	-1	0	264.350	3.163	20	30		CGEDRM
Cc1ccccc1NC(=S)Nc1ccc(C#N)cc1O	ZINC001198430533	811501756	/nfs/dbraw/zinc/50/17/56/811501756.db2.gz	FCWUWEAZLXTALI-UHFFFAOYSA-N	-1	0	283.356	3.381	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201232528	811803332	/nfs/dbraw/zinc/80/33/32/811803332.db2.gz	RAKMIJYPHFIQOY-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2cc(F)c([O-])cc2F)c1	ZINC001202791202	812175461	/nfs/dbraw/zinc/17/54/61/812175461.db2.gz	UOMAYBAUVREAFW-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])c(F)c1	ZINC001215393977	815515713	/nfs/dbraw/zinc/51/57/13/815515713.db2.gz	DMAGCNGPUVELTC-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1c(F)c(F)cc(Nc2ccsc2C(=O)[O-])c1F	ZINC001215397451	815516360	/nfs/dbraw/zinc/51/63/60/815516360.db2.gz	GHFAGRJAOAYZBE-UHFFFAOYSA-N	-1	0	298.245	3.479	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203291894	812294281	/nfs/dbraw/zinc/29/42/81/812294281.db2.gz	AUFICFIDBJEAAK-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292278	812295828	/nfs/dbraw/zinc/29/58/28/812295828.db2.gz	JFAODHSKUSCXHC-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
Cc1coc(Nc2c(F)cc(C(=O)[O-])cc2F)c1C#N	ZINC001215613288	815547397	/nfs/dbraw/zinc/54/73/97/815547397.db2.gz	NTNKPWFOXIGZJY-UHFFFAOYSA-N	-1	0	278.214	3.180	20	30		CGEDRM
N#CCc1cc(-c2ccsc2C(=O)[O-])ccc1C#N	ZINC001205579432	813010659	/nfs/dbraw/zinc/01/06/59/813010659.db2.gz	MKJXJPGDHPPNTR-UHFFFAOYSA-N	-1	0	268.297	3.051	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2ccsc2C(=O)[O-])c1	ZINC001205604987	813021180	/nfs/dbraw/zinc/02/11/80/813021180.db2.gz	CPDWUTFNTXYCLL-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
Cc1ncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001205864846	813114226	/nfs/dbraw/zinc/11/42/26/813114226.db2.gz	ZUBWFCOIEBLQBQ-PTXOJBNSSA-N	-1	0	281.237	3.279	20	30		CGEDRM
Cc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)nc(C)c1C#N	ZINC001206025124	813170614	/nfs/dbraw/zinc/17/06/14/813170614.db2.gz	LGWVDGBHJFTSSJ-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001206045239	813180407	/nfs/dbraw/zinc/18/04/07/813180407.db2.gz	MCGWDICGAHMMTH-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
N#Cc1c(F)ccc(-c2csc(C(=O)[O-])c2)c1F	ZINC001206298432	813277930	/nfs/dbraw/zinc/27/79/30/813277930.db2.gz	FIJNBQNMUWTTGT-UHFFFAOYSA-N	-1	0	265.240	3.263	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cc([O-])c(F)c(F)c1	ZINC001209433764	814035758	/nfs/dbraw/zinc/03/57/58/814035758.db2.gz	NMVTUNGYEHUGFT-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
COc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001209889384	814189873	/nfs/dbraw/zinc/18/98/73/814189873.db2.gz	MAAJAFWYCZZFRY-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1C#N	ZINC001210240336	814360173	/nfs/dbraw/zinc/36/01/73/814360173.db2.gz	BDICQKNQXFGQMD-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cccc(Nc2cccc(C(=O)[O-])c2F)c1C#N	ZINC001210240386	814360691	/nfs/dbraw/zinc/36/06/91/814360691.db2.gz	DBPQYGOPQMBSNA-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cc(C(=O)[O-])ccc2OC)c1	ZINC001210259020	814370955	/nfs/dbraw/zinc/37/09/55/814370955.db2.gz	PMYPSGJXMPUPCD-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1c(C#N)cccc1OC	ZINC001210260074	814371072	/nfs/dbraw/zinc/37/10/72/814371072.db2.gz	XOHKRTWAGFWDQY-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1ncc(Cl)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210453522	814464976	/nfs/dbraw/zinc/46/49/76/814464976.db2.gz	QRGHTWASOBDWAM-UHFFFAOYSA-N	-1	0	293.685	3.204	20	30		CGEDRM
COC(=O)c1cc(Nc2cccc([S-])c2)ccc1C#N	ZINC001210948417	814687627	/nfs/dbraw/zinc/68/76/27/814687627.db2.gz	VADHHOSHUVCXRG-UHFFFAOYSA-N	-1	0	284.340	3.377	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1	ZINC001211547687	814905446	/nfs/dbraw/zinc/90/54/46/814905446.db2.gz	WCWILSKYJCEVOS-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1ccc(Nc2ccc(Cl)nc2C#N)cc1C(=O)[O-]	ZINC001211594365	814914087	/nfs/dbraw/zinc/91/40/87/814914087.db2.gz	VACNBKMFQCLMTD-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2C)c(C#N)c1	ZINC001211622407	814919963	/nfs/dbraw/zinc/91/99/63/814919963.db2.gz	CPPGYBYHXHVWNI-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1noc([N-]c2cc3c(cccc3F)o2)c1C#N	ZINC001216289160	815768712	/nfs/dbraw/zinc/76/87/12/815768712.db2.gz	JBMJCFBPYVDJQK-UHFFFAOYSA-N	-1	0	257.224	3.484	20	30		CGEDRM
Cc1cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cnc1C#N	ZINC001216309426	815774660	/nfs/dbraw/zinc/77/46/60/815774660.db2.gz	VHSPHUCHIXDSFY-UHFFFAOYSA-N	-1	0	281.315	3.320	20	30		CGEDRM
CCc1cc([N-]c2nnc(C(C)C)o2)ccc1C#N	ZINC001216313712	815776566	/nfs/dbraw/zinc/77/65/66/815776566.db2.gz	RPYFAMYCXLTTGE-UHFFFAOYSA-N	-1	0	256.309	3.371	20	30		CGEDRM
Cc1c(Nc2ncc(C#N)cc2Cl)cccc1C(=O)[O-]	ZINC001216656958	815885246	/nfs/dbraw/zinc/88/52/46/815885246.db2.gz	NFQCNXUIIKRMPD-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cnc(Nc2cccc(C(=O)[O-])c2C)c(C#N)c1	ZINC001216658489	815886400	/nfs/dbraw/zinc/88/64/00/815886400.db2.gz	AOVYPPUNOUGSMN-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(F)cc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1	ZINC001216969685	815904155	/nfs/dbraw/zinc/90/41/55/815904155.db2.gz	MKKAVJLNPIDBMH-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3cc(F)ccc3F)no2)c1[O-]	ZINC001216979957	815905383	/nfs/dbraw/zinc/90/53/83/815905383.db2.gz	NHZBJYXBKSLDQN-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#CCc1ccc(-c2ccccc2C(=O)[O-])cc1F	ZINC001242877772	823161790	/nfs/dbraw/zinc/16/17/90/823161790.db2.gz	AUUHOSQXTYFGOP-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#Cc1ccc2c(c1)nccc2-c1ccccc1C(=O)[O-]	ZINC001242878305	823161808	/nfs/dbraw/zinc/16/18/08/823161808.db2.gz	JMLUVNGASWQZNI-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)cc1F	ZINC001242922856	823173202	/nfs/dbraw/zinc/17/32/02/823173202.db2.gz	PHQFBOZBKYZKIV-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C[C@H](CS)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222939307	816538011	/nfs/dbraw/zinc/53/80/11/816538011.db2.gz	XHAGKSAJGOYMFP-QJFBIWCHSA-N	-1	0	295.738	3.445	20	30		CGEDRM
C[C@@H](CS)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222939306	816538015	/nfs/dbraw/zinc/53/80/15/816538015.db2.gz	XHAGKSAJGOYMFP-DCTGVVQBSA-N	-1	0	295.738	3.445	20	30		CGEDRM
C=C[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225562905	817093072	/nfs/dbraw/zinc/09/30/72/817093072.db2.gz	NXSJNXSPMMXJAD-JTQLQIEISA-N	-1	0	262.696	3.142	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1[n-]c(=O)ncc1F	ZINC001225884557	817205823	/nfs/dbraw/zinc/20/58/23/817205823.db2.gz	HQBPEMRQZHIACD-JTQLQIEISA-N	-1	0	254.305	3.225	20	30		CGEDRM
CC[C@H]1CC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226008767	817247418	/nfs/dbraw/zinc/24/74/18/817247418.db2.gz	MHSOUFCVMIYCNE-HOMQSWHASA-N	-1	0	264.300	3.146	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](c2ccccc2)C2CC2)c1C#N	ZINC001226222374	817301602	/nfs/dbraw/zinc/30/16/02/817301602.db2.gz	ZEWMVTNJHAYVNV-INIZCTEOSA-N	-1	0	280.327	3.497	20	30		CGEDRM
C=C(C)C[C@H](Oc1n[n-]c(=O)cc1Br)C(=C)C	ZINC001226848269	817483317	/nfs/dbraw/zinc/48/33/17/817483317.db2.gz	CPYBWNCOBODJMB-JTQLQIEISA-N	-1	0	299.168	3.234	20	30		CGEDRM
C=CC[C@H](CCC)Oc1n[n-]c(=O)cc1Br	ZINC001226848540	817483738	/nfs/dbraw/zinc/48/37/38/817483738.db2.gz	FDFPYEMWLRAYJF-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)ccn1	ZINC001243154997	823267139	/nfs/dbraw/zinc/26/71/39/823267139.db2.gz	DWYGQYFYPKUWDF-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
CCCCCCC[C@@H](C)Oc1[n-]c(=O)nc2cnccc21	ZINC001226974456	817521081	/nfs/dbraw/zinc/52/10/81/817521081.db2.gz	NBZGERXIOVBNNU-GFCCVEGCSA-N	-1	0	289.379	3.446	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111229	817560747	/nfs/dbraw/zinc/56/07/47/817560747.db2.gz	FPFVMZCJGFMAEK-VIFPVBQESA-N	-1	0	256.733	3.268	20	30		CGEDRM
C=C[C@H](CCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601921	817680689	/nfs/dbraw/zinc/68/06/89/817680689.db2.gz	JAXIUMAPQVHZGW-ZCFIWIBFSA-N	-1	0	263.124	3.223	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C)C1Oc1ccc(O)c(C#N)c1C#N	ZINC001227623452	817686600	/nfs/dbraw/zinc/68/66/00/817686600.db2.gz	RSRUOLCNTNNTFZ-GHMZBOCLSA-N	-1	0	270.332	3.339	20	30		CGEDRM
Cc1ccc(-c2ncnc3ccc(C#N)cc32)cc1C(=O)[O-]	ZINC001243194538	823283910	/nfs/dbraw/zinc/28/39/10/823283910.db2.gz	CFFIDLADAAATPL-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc2c(C#N)c[nH]c2n1	ZINC001243199940	823287167	/nfs/dbraw/zinc/28/71/67/823287167.db2.gz	CWFAYIYXJRUNEM-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227988691	817775541	/nfs/dbraw/zinc/77/55/41/817775541.db2.gz	DMGFRFSHNGXQRE-JTQLQIEISA-N	-1	0	276.723	3.170	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cccc(/C=N/O)c1	ZINC001243205043	823290454	/nfs/dbraw/zinc/29/04/54/823290454.db2.gz	FAOPXBJECDOPMR-CXUHLZMHSA-N	-1	0	255.273	3.168	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228390059	817895406	/nfs/dbraw/zinc/89/54/06/817895406.db2.gz	JAXFSISUHCECOX-SECBINFHSA-N	-1	0	256.733	3.349	20	30		CGEDRM
C=CC[C@H](Oc1nc(O)cc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001228391043	817895878	/nfs/dbraw/zinc/89/58/78/817895878.db2.gz	LPJXDGCMNHOSIK-NSHDSACASA-N	-1	0	292.722	3.237	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)ncc1Cl	ZINC001228480211	817917540	/nfs/dbraw/zinc/91/75/40/817917540.db2.gz	KEDVRRXAJPQIPN-VIFPVBQESA-N	-1	0	256.733	3.349	20	30		CGEDRM
C=C[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccccc1	ZINC001231262413	818067780	/nfs/dbraw/zinc/06/77/80/818067780.db2.gz	GBSGMIZBEIRJQA-CYBMUJFWSA-N	-1	0	286.287	3.310	20	30		CGEDRM
CN(CC#N)Cc1ccccc1-c1ccccc1C(=O)[O-]	ZINC001231680173	818157050	/nfs/dbraw/zinc/15/70/50/818157050.db2.gz	XYTJZJKFLDZWBB-UHFFFAOYSA-N	-1	0	280.327	3.007	20	30		CGEDRM
Cc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)nc1C#N	ZINC001243323268	823347314	/nfs/dbraw/zinc/34/73/14/823347314.db2.gz	RWHQLQAVEIWWDO-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(Cl)cc(C(=O)[O-])c1)CCC2	ZINC001243323601	823347878	/nfs/dbraw/zinc/34/78/78/823347878.db2.gz	IMBRGDDLNPFKQN-UHFFFAOYSA-N	-1	0	298.729	3.461	20	30		CGEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511185	818870163	/nfs/dbraw/zinc/87/01/63/818870163.db2.gz	LJPCRSHYIZZXOV-CYBMUJFWSA-N	-1	0	295.342	3.168	20	30		CGEDRM
N#CCc1cnc(F)c(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235670737	819134102	/nfs/dbraw/zinc/13/41/02/819134102.db2.gz	QGYQVWZVAOZVIC-ZZXKWVIFSA-N	-1	0	282.274	3.052	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3c(F)cc(F)c([O-])c3F)c12	ZINC001235991065	819262208	/nfs/dbraw/zinc/26/22/08/819262208.db2.gz	UFEQTFBOZQFLJY-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
N#Cc1c(F)c(F)c(-c2ccc(C(=O)[O-])cc2)c(F)c1F	ZINC001236065893	819298457	/nfs/dbraw/zinc/29/84/57/819298457.db2.gz	PZOACVBNSGJWKV-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
CCc1nnc(-c2cc(F)cc(F)c2[O-])c(C#N)c1CC	ZINC001243503950	823422842	/nfs/dbraw/zinc/42/28/42/823422842.db2.gz	LIVYTQGVQDKOHX-UHFFFAOYSA-N	-1	0	289.285	3.124	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cc(F)cc(F)c1[O-]	ZINC001243505177	823423202	/nfs/dbraw/zinc/42/32/02/823423202.db2.gz	VMATXEGXNQTBSM-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cc(F)cc(F)c3[O-])cc12	ZINC001243506425	823424077	/nfs/dbraw/zinc/42/40/77/823424077.db2.gz	VRLRDJWVYPZXBD-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc(Cl)c([O-])c3)c12	ZINC001243581283	823454230	/nfs/dbraw/zinc/45/42/30/823454230.db2.gz	NYYYSIPJDHDBKH-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])cc2F)c1F	ZINC001239255501	820241553	/nfs/dbraw/zinc/24/15/53/820241553.db2.gz	ASAVRNDCDLHIKG-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2F)c(CC#N)c1	ZINC001239261257	820244138	/nfs/dbraw/zinc/24/41/38/820244138.db2.gz	BVBGYRVNBRHELO-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1c(F)cccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240548372	821133840	/nfs/dbraw/zinc/13/38/40/821133840.db2.gz	MAUAHDOYYCGUCN-BQYQJAHWSA-N	-1	0	267.259	3.462	20	30		CGEDRM
N#Cc1ccc2cc(-c3ccc(CC(=O)[O-])cc3)ccc2n1	ZINC001240976384	821460480	/nfs/dbraw/zinc/46/04/80/821460480.db2.gz	LGLLLQKOAPAEEL-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccccc1[O-]	ZINC001241003117	821481630	/nfs/dbraw/zinc/48/16/30/821481630.db2.gz	HDDAZLWZFVRMKR-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#Cc1cc2c(nc1-c1c(F)cc([O-])cc1F)CCCC2	ZINC001241119633	821574121	/nfs/dbraw/zinc/57/41/21/821574121.db2.gz	HVJPMQASWRJVLK-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C(=O)[O-])c(F)c2)n1	ZINC001241181645	821619933	/nfs/dbraw/zinc/61/99/33/821619933.db2.gz	AJWCBNAROFPSPA-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CCc1ccccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241185692	821622561	/nfs/dbraw/zinc/62/25/61/821622561.db2.gz	MIBKJOWFOJRFTR-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCCOc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001241186388	821623721	/nfs/dbraw/zinc/62/37/21/821623721.db2.gz	KMFODCRUCBKMGN-UHFFFAOYSA-N	-1	0	285.274	3.483	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(F)c2)c(CC#N)c1	ZINC001241186185	821623945	/nfs/dbraw/zinc/62/39/45/821623945.db2.gz	AAMZCVQOFWNXBE-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
O=C([O-])c1ccc(-c2ccc(/C=N/O)c(F)c2)cc1F	ZINC001241188227	821624667	/nfs/dbraw/zinc/62/46/67/821624667.db2.gz	VRDDKDCZGIFDCG-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc(F)c(C(=O)[O-])c1	ZINC001241243687	821664987	/nfs/dbraw/zinc/66/49/87/821664987.db2.gz	PFGMWRBOFNYFFM-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
COc1cc(-c2ccc(F)c(C(=O)[O-])c2)cc(F)c1C#N	ZINC001241246963	821667983	/nfs/dbraw/zinc/66/79/83/821667983.db2.gz	GQHGFWFHDWKIEF-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)nc1F	ZINC001241347812	821750744	/nfs/dbraw/zinc/75/07/44/821750744.db2.gz	MLSUDXHHPISKAM-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
O=C([O-])c1cccc(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001241360940	821761563	/nfs/dbraw/zinc/76/15/63/821761563.db2.gz	WBZBHMVBRVDXBQ-ICFOKQHNSA-N	-1	0	267.284	3.176	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cc(F)cc(C(=O)[O-])c3)nc2c1	ZINC001241823873	822165380	/nfs/dbraw/zinc/16/53/80/822165380.db2.gz	OSNUAIXGKPHMTR-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#CCCOc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001241834832	822170539	/nfs/dbraw/zinc/17/05/39/822170539.db2.gz	ZKBXRDCJULOFEB-UHFFFAOYSA-N	-1	0	285.274	3.483	20	30		CGEDRM
COc1ccc(-c2ccc(CC#N)cc2F)cc1C(=O)[O-]	ZINC001241868699	822187231	/nfs/dbraw/zinc/18/72/31/822187231.db2.gz	LWLAUTIPMGXMAF-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C=C(C)c1cncc(-c2ccc(OC)c(C(=O)[O-])c2)c1	ZINC001241868900	822187869	/nfs/dbraw/zinc/18/78/69/822187869.db2.gz	SGOFPUDBMFCKGI-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
COc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1C(=O)[O-]	ZINC001241868911	822188077	/nfs/dbraw/zinc/18/80/77/822188077.db2.gz	SVYQOCOJCWSYFT-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1cc(-c2ccccc2C=N[O-])c(F)cc1F	ZINC001242050665	822309065	/nfs/dbraw/zinc/30/90/65/822309065.db2.gz	YZPQSVUMRFWSIZ-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
N#Cc1cccnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242147871	822894255	/nfs/dbraw/zinc/89/42/55/822894255.db2.gz	GYXKTADXGOAIKK-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(F)c1	ZINC001242152691	822896169	/nfs/dbraw/zinc/89/61/69/822896169.db2.gz	JRCDHLYZQURUIP-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1nc(-c2ccc([O-])c(C(F)(F)F)c2)cnc1C#N	ZINC001242152842	822896919	/nfs/dbraw/zinc/89/69/19/822896919.db2.gz	KVKADUQVLBFXPL-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncc2c(c1C#N)CCC2	ZINC001242210770	822911404	/nfs/dbraw/zinc/91/14/04/822911404.db2.gz	WRPKKTRQQCVKPN-UHFFFAOYSA-N	-1	0	296.301	3.255	20	30		CGEDRM
N#Cc1nc2c(cccc2-c2cccc(CC(=O)[O-])c2)s1	ZINC001242265140	822930620	/nfs/dbraw/zinc/93/06/20/822930620.db2.gz	QMWPIUMAGLRIEK-UHFFFAOYSA-N	-1	0	294.335	3.462	20	30		CGEDRM
N#CCc1cc(-c2cccc(C(=O)[O-])c2F)ccc1C#N	ZINC001242379260	822974288	/nfs/dbraw/zinc/97/42/88/822974288.db2.gz	LBSWCVFKGZEPGK-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cc1	ZINC001242390320	822978567	/nfs/dbraw/zinc/97/85/67/822978567.db2.gz	GTFXBTCVRPYHTI-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C2(C#N)CC2)ccn1	ZINC001242390038	822978609	/nfs/dbraw/zinc/97/86/09/822978609.db2.gz	RCKQKHDQXKPCRZ-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(F)c(C#N)c1F	ZINC001242391836	822979187	/nfs/dbraw/zinc/97/91/87/822979187.db2.gz	FZDNSGDWMVMLGL-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562892	823033682	/nfs/dbraw/zinc/03/36/82/823033682.db2.gz	MXUBZFCWWRRLIS-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
Cc1cc2cnc(-c3ccc([O-])c(C#N)c3)nc2s1	ZINC001242564148	823034662	/nfs/dbraw/zinc/03/46/62/823034662.db2.gz	SCVVJCWULFBAEA-UHFFFAOYSA-N	-1	0	267.313	3.244	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001342638194	936473068	/nfs/dbraw/zinc/47/30/68/936473068.db2.gz	SMIADTHPBROIFG-VIFPVBQESA-N	-1	0	260.293	3.081	20	30		CGEDRM
C=C1CCC(C(=O)N2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)CC1	ZINC001346371619	936846876	/nfs/dbraw/zinc/84/68/76/936846876.db2.gz	TXJWUYDSLKRKQR-KYEXWDHISA-N	-1	0	293.407	3.079	20	30		CGEDRM
N#CC(=C([O-])c1ccnc(C2CC2)c1)c1ncc(F)cc1F	ZINC001346762837	936860796	/nfs/dbraw/zinc/86/07/96/936860796.db2.gz	HGRVFVCVCAKAQX-LBPRGKRZSA-N	-1	0	299.280	3.122	20	30		CGEDRM
C=CCOc1ccccc1[C@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228900334	932047526	/nfs/dbraw/zinc/04/75/26/932047526.db2.gz	FCNJQSLEQXWMKK-LBPRGKRZSA-N	-1	0	296.326	3.364	20	30		CGEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228901523	932047555	/nfs/dbraw/zinc/04/75/55/932047555.db2.gz	MDORLJRDBJKRPO-LLVKDONJSA-N	-1	0	254.289	3.107	20	30		CGEDRM
CC(C)C1CCC(Oc2[n-]c(=O)ccc2C#N)CC1	ZINC001228899884	932047752	/nfs/dbraw/zinc/04/77/52/932047752.db2.gz	AGFVORGCKUIHQP-UHFFFAOYSA-N	-1	0	260.337	3.252	20	30		CGEDRM
COc1ccc([C@@H](Oc2[n-]c(=O)ccc2C#N)C(C)C)cc1	ZINC001228901105	932047877	/nfs/dbraw/zinc/04/78/77/932047877.db2.gz	JJYWENZNBDJRFK-INIZCTEOSA-N	-1	0	298.342	3.444	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1F	ZINC001228901525	932047978	/nfs/dbraw/zinc/04/79/78/932047978.db2.gz	MEFUPQRLSARPLM-CYBMUJFWSA-N	-1	0	272.279	3.328	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC001228901742	932048216	/nfs/dbraw/zinc/04/82/16/932048216.db2.gz	NUEKLSGCJWIRCR-OUCADQQQSA-N	-1	0	272.348	3.397	20	30		CGEDRM
C=C(C)C(=O)OC[C@H](C)Oc1ccc([S-])cc1C	ZINC001229633930	932181036	/nfs/dbraw/zinc/18/10/36/932181036.db2.gz	CUGWMNHYIPFLJX-NSHDSACASA-N	-1	0	266.362	3.170	20	30		CGEDRM
C/C(=N\[O-])c1ccccc1O[C@H]1CC(F)(F)C1(F)F	ZINC001229739573	932477338	/nfs/dbraw/zinc/47/73/38/932477338.db2.gz	ZBEHHHYVZYTNKV-GBYSLYJZSA-N	-1	0	277.217	3.307	20	30		CGEDRM
N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)c([O-])c1	ZINC001468915270	937732994	/nfs/dbraw/zinc/73/29/94/937732994.db2.gz	KBQYNRYHIMOYDE-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1	ZINC001328168749	935121209	/nfs/dbraw/zinc/12/12/09/935121209.db2.gz	ZEOJOSJEKDCPMJ-UHFFFAOYSA-N	-1	0	273.376	3.250	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1ccc(Cl)cc1	ZINC001332711002	935483884	/nfs/dbraw/zinc/48/38/84/935483884.db2.gz	WMMMEOBATVCTRD-MRVPVSSYSA-N	-1	0	275.682	3.054	20	30		CGEDRM
CCn1ccnc1C(C#N)=C([O-])c1conc1C1CCCC1	ZINC001526588299	938056374	/nfs/dbraw/zinc/05/63/74/938056374.db2.gz	XFCXJDCJNOKNRN-LBPRGKRZSA-N	-1	0	298.346	3.039	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000232913081	949791763	/nfs/dbraw/zinc/79/17/63/949791763.db2.gz	GLAFHWKQWBBWQK-HIFRSBDPSA-N	-1	0	283.412	3.449	20	30		CGEDRM
C=CCCCCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC000387211274	972111201	/nfs/dbraw/zinc/11/12/01/972111201.db2.gz	DSPVGPXZBMNMKU-UHFFFAOYSA-N	-1	0	298.289	3.141	20	30		CGEDRM
N#C[C@H](SCCC(=O)[O-])c1ccc(Cl)cc1	ZINC001594601172	956131739	/nfs/dbraw/zinc/13/17/39/956131739.db2.gz	JJZZZMICXNSEAD-JTQLQIEISA-N	-1	0	255.726	3.113	20	30		CGEDRM
N#Cc1ccc(Oc2ncc(C(=O)[O-])cc2Cl)cc1	ZINC000019260078	957103004	/nfs/dbraw/zinc/10/30/04/957103004.db2.gz	GFRCSNIAMXCUEU-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
Cc1ccc(C#N)c(Sc2ccc(C(=O)[O-])cc2)n1	ZINC000043395354	957430542	/nfs/dbraw/zinc/43/05/42/957430542.db2.gz	WNKHLXAMZLAHBN-UHFFFAOYSA-N	-1	0	270.313	3.111	20	30		CGEDRM
CC(C)(C#N)CCOc1ccc(Cl)cc1C(=O)[O-]	ZINC000087590278	958019098	/nfs/dbraw/zinc/01/90/98/958019098.db2.gz	GPNDUIQDQSAESA-UHFFFAOYSA-N	-1	0	267.712	3.357	20	30		CGEDRM
Cc1cc(NC(=O)c2ccc(C#N)cc2C)ccc1C(=O)[O-]	ZINC001594325576	958167365	/nfs/dbraw/zinc/16/73/65/958167365.db2.gz	OXVWVXXMYKIMSI-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
Cc1cc(SCC2(CC(=O)[O-])CC2)ccc1C#N	ZINC000132584379	958791787	/nfs/dbraw/zinc/79/17/87/958791787.db2.gz	WIPHSNYMTDOSDA-UHFFFAOYSA-N	-1	0	261.346	3.214	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)s1	ZINC000134513834	958840808	/nfs/dbraw/zinc/84/08/08/958840808.db2.gz	LILVQWWGVDXWHK-XVNBXDOJSA-N	-1	0	283.308	3.214	20	30		CGEDRM
C=C(CC)COc1cc(/C=C\C(=O)[O-])ccc1OC	ZINC000217658215	959775405	/nfs/dbraw/zinc/77/54/05/959775405.db2.gz	OXYJHQQLGCROLT-VURMDHGXSA-N	-1	0	262.305	3.138	20	30		CGEDRM
N#Cc1cccc(CSc2ncccc2C(=O)[O-])c1F	ZINC000221874625	959810934	/nfs/dbraw/zinc/81/09/34/959810934.db2.gz	SYNCXBTYJCPBHT-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1	ZINC001602791490	960549240	/nfs/dbraw/zinc/54/92/40/960549240.db2.gz	RSASPOFAJWRMHW-UHFFFAOYSA-N	-1	0	297.713	3.472	20	30		CGEDRM
C=C[C@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)[O-]	ZINC001602821109	960549469	/nfs/dbraw/zinc/54/94/69/960549469.db2.gz	VKRWYLKGYYILMM-ZDUSSCGKSA-N	-1	0	263.337	3.053	20	30		CGEDRM
CC(=NNCc1ccc(F)cc1)c1cc(C(=O)[O-])cs1	ZINC001602990699	960551461	/nfs/dbraw/zinc/55/14/61/960551461.db2.gz	AARQJGLENSZJEL-UHFFFAOYSA-N	-1	0	292.335	3.099	20	30		CGEDRM
CC#CCCCC(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC001602946649	960552437	/nfs/dbraw/zinc/55/24/37/960552437.db2.gz	AHTPRTIIPMMIIK-UHFFFAOYSA-N	-1	0	279.361	3.141	20	30		CGEDRM
C#CCCCCCC(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC001573318294	962108667	/nfs/dbraw/zinc/10/86/67/962108667.db2.gz	NCFKWUUJWBLARJ-UHFFFAOYSA-N	-1	0	273.332	3.215	20	30		CGEDRM
C=CCCOCCCCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001573328095	962237665	/nfs/dbraw/zinc/23/76/65/962237665.db2.gz	AJPXZOREYFJISB-UHFFFAOYSA-N	-1	0	291.347	3.086	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001573330366	962245890	/nfs/dbraw/zinc/24/58/90/962245890.db2.gz	XWYOXLZGAJFPQL-VQHVLOKHSA-N	-1	0	291.347	3.100	20	30		CGEDRM
Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(CC#N)c1	ZINC001574389688	962306589	/nfs/dbraw/zinc/30/65/89/962306589.db2.gz	QBNCBUPXIDDRQP-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C=CCC1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCCCC1	ZINC001573352873	962994547	/nfs/dbraw/zinc/99/45/47/962994547.db2.gz	LUCOBNCXGOHCAM-UONOGXRCSA-N	-1	0	293.407	3.273	20	30		CGEDRM
Cc1oc(CNc2cc(C)cc(C#N)c2)cc1C(=O)[O-]	ZINC000308102272	963258257	/nfs/dbraw/zinc/25/82/57/963258257.db2.gz	HHSXQSBULUEHNH-UHFFFAOYSA-N	-1	0	270.288	3.078	20	30		CGEDRM
C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C(=O)[O-])c1	ZINC001588432308	963266355	/nfs/dbraw/zinc/26/63/55/963266355.db2.gz	KCWICROYEDIOLQ-UHFFFAOYSA-N	-1	0	297.329	3.159	20	30		CGEDRM
C#C[C@@](C)(CC)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC001588367122	963268840	/nfs/dbraw/zinc/26/88/40/963268840.db2.gz	JHWYLJQWHVKPBP-OCCSQVGLSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588530086	963276117	/nfs/dbraw/zinc/27/61/17/963276117.db2.gz	PFTKEWXUKKJTIB-UHFFFAOYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=CC1(CC(=O)Nc2ncccc2C(=O)[O-])CCCCC1	ZINC001588452157	963278472	/nfs/dbraw/zinc/27/84/72/963278472.db2.gz	KHJIPMYRBXZFSY-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C=C[C@@H](OC(=O)CCCCC(=O)[O-])c1ccccc1	ZINC001588452634	963278944	/nfs/dbraw/zinc/27/89/44/963278944.db2.gz	PYJYUXKRBLRCHQ-CYBMUJFWSA-N	-1	0	262.305	3.102	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC001588530278	963280076	/nfs/dbraw/zinc/28/00/76/963280076.db2.gz	YCRQYEQEAYGHBJ-AWEZNQCLSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C#CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F	ZINC001588471624	963280368	/nfs/dbraw/zinc/28/03/68/963280368.db2.gz	UBTPPFHVZQBYFM-UHFFFAOYSA-N	-1	0	297.329	3.159	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588535502	963282330	/nfs/dbraw/zinc/28/23/30/963282330.db2.gz	IDMUNMHGQFQBPG-QMMMGPOBSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CC)C1CCC(C)CC1)C(=O)[O-]	ZINC001588537689	963282696	/nfs/dbraw/zinc/28/26/96/963282696.db2.gz	WAMIVPGLEJVPLE-NEXFUWMNSA-N	-1	0	295.423	3.375	20	30		CGEDRM
CC(C)(C#N)CCCCOC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001588607716	963291518	/nfs/dbraw/zinc/29/15/18/963291518.db2.gz	XUXONAVWKLTYMS-INIZCTEOSA-N	-1	0	293.363	3.061	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC001588605721	963292774	/nfs/dbraw/zinc/29/27/74/963292774.db2.gz	OIFUTUWKGJXOBV-HNNXBMFYSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C[C@@H](Nc1ccc(OCCC)c(Cl)c1)C(=O)[O-]	ZINC001588702166	963303764	/nfs/dbraw/zinc/30/37/64/963303764.db2.gz	LIKDDPYTAMBMBC-LLVKDONJSA-N	-1	0	269.728	3.180	20	30		CGEDRM
C=CCC(F)(F)C(=O)OCc1cc(C(=O)[O-])sc1C	ZINC001588742866	963308510	/nfs/dbraw/zinc/30/85/10/963308510.db2.gz	MLOZSCJLTTUARF-UHFFFAOYSA-N	-1	0	290.287	3.009	20	30		CGEDRM
C=CCC(C)(C)c1noc(-c2ccc(/C=C/C(=O)[O-])o2)n1	ZINC001588736340	963310702	/nfs/dbraw/zinc/31/07/02/963310702.db2.gz	HRHGKBFSLUXUSO-SOFGYWHQSA-N	-1	0	288.303	3.281	20	30		CGEDRM
C=CCC1(CNc2nc(C)cc(C(=O)[O-])n2)CCCC1	ZINC001588767014	963313916	/nfs/dbraw/zinc/31/39/16/963313916.db2.gz	DMSUNFZLAQATGM-UHFFFAOYSA-N	-1	0	275.352	3.032	20	30		CGEDRM
C=CCC1(NC(=O)NCC(C)(C)CC(=O)[O-])CCCCC1	ZINC001588767347	963314275	/nfs/dbraw/zinc/31/42/75/963314275.db2.gz	WOTYZRIUHKADTH-UHFFFAOYSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C=CCC1(NC(=O)c2ccc(C(=O)[O-])cc2F)CCCC1	ZINC001588767315	963314868	/nfs/dbraw/zinc/31/48/68/963314868.db2.gz	USUGJHLMPIDPPT-UHFFFAOYSA-N	-1	0	291.322	3.143	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC001588789276	963316586	/nfs/dbraw/zinc/31/65/86/963316586.db2.gz	AHXVRCSTHMPDCI-CQSZACIVSA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC001588789351	963316990	/nfs/dbraw/zinc/31/69/90/963316990.db2.gz	BKVLHGYUEUJKNE-IHRRRGAJSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC001588792987	963317406	/nfs/dbraw/zinc/31/74/06/963317406.db2.gz	JPKVYXRIXZCXQD-GFCCVEGCSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=CCN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1	ZINC001588822756	963319996	/nfs/dbraw/zinc/31/99/96/963319996.db2.gz	NTCAEQKFWXNELV-UHFFFAOYSA-N	-1	0	288.372	3.126	20	30		CGEDRM
C=CCOc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])co1	ZINC001588877535	963325817	/nfs/dbraw/zinc/32/58/17/963325817.db2.gz	YWVCNHHPFQHWOS-BQYQJAHWSA-N	-1	0	298.294	3.439	20	30		CGEDRM
C=CCOc1ccc(Oc2ccc(C(=O)[O-])nc2C#N)cc1	ZINC001588872884	963328280	/nfs/dbraw/zinc/32/82/80/963328280.db2.gz	QNMBMFOSUGUPIL-UHFFFAOYSA-N	-1	0	296.282	3.009	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@]1(C)CCCO1	ZINC001589016862	963342101	/nfs/dbraw/zinc/34/21/01/963342101.db2.gz	NBYOMPKUQQGWAE-AWEZNQCLSA-N	-1	0	296.754	3.395	20	30		CGEDRM
C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCCCC#N)cc1	ZINC001589504823	963996104	/nfs/dbraw/zinc/99/61/04/963996104.db2.gz	NJUHTJAWWGUINW-GFCCVEGCSA-N	-1	0	288.347	3.287	20	30		CGEDRM
CC(C)(C)C#CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC001589684485	964018103	/nfs/dbraw/zinc/01/81/03/964018103.db2.gz	GEBXFADDYAHHRJ-ZDUSSCGKSA-N	-1	0	294.734	3.058	20	30		CGEDRM
C=C(C)CCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000395342330	972790946	/nfs/dbraw/zinc/79/09/46/972790946.db2.gz	HLYVWLCVWDDXAT-UHFFFAOYSA-N	-1	0	290.363	3.137	20	30		CGEDRM
N#CCc1ccc(CSc2nc(C(=O)[O-])cs2)cc1	ZINC000399174916	973198055	/nfs/dbraw/zinc/19/80/55/973198055.db2.gz	HJFWJEJLIONDGD-UHFFFAOYSA-N	-1	0	290.369	3.200	20	30		CGEDRM
CC[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)[O-]	ZINC001603585850	973756101	/nfs/dbraw/zinc/75/61/01/973756101.db2.gz	NEPMDWBLOIWEBB-OAHLLOKOSA-N	-1	0	297.314	3.021	20	30		CGEDRM
C[C@H](CC#N)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21	ZINC001592211673	977263502	/nfs/dbraw/zinc/26/35/02/977263502.db2.gz	MMJHVQRSVKWTNN-SNVBAGLBSA-N	-1	0	282.299	3.026	20	30		CGEDRM
C[C@@H](CC(=O)[O-])SCC#Cc1ccccc1Cl	ZINC001592421314	978032517	/nfs/dbraw/zinc/03/25/17/978032517.db2.gz	SCAMTGMRWDZURU-JTQLQIEISA-N	-1	0	268.765	3.288	20	30		CGEDRM
CC(CC(C)(C)CC(=O)[O-])N=Nc1cc(Cl)ccn1	ZINC001592444227	978101899	/nfs/dbraw/zinc/10/18/99/978101899.db2.gz	LXXMNHCUWHAQNV-UHFFFAOYSA-N	-1	0	283.759	3.414	20	30		CGEDRM
CCC(CC)(CCOC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001595059751	979310514	/nfs/dbraw/zinc/31/05/14/979310514.db2.gz	NGKRIYWOONMDBW-UHFFFAOYSA-N	-1	0	295.360	3.058	20	30		CGEDRM
CC[C@@H]1C[C@H](CN=Nc2cccc(C(=O)[O-])c2F)CCO1	ZINC001595409303	981006730	/nfs/dbraw/zinc/00/67/30/981006730.db2.gz	VYJMCWSBZNVEPZ-GHMZBOCLSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCCCCCCNC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001595704273	982273091	/nfs/dbraw/zinc/27/30/91/982273091.db2.gz	BDUWWXLSRMYEIM-UHFFFAOYSA-N	-1	0	281.327	3.224	20	30		CGEDRM
CCC(C#N)(CC)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001594722110	987208797	/nfs/dbraw/zinc/20/87/97/987208797.db2.gz	ISBDQFHJFPNMPK-SNVBAGLBSA-N	-1	0	293.319	3.220	20	30		CGEDRM
CC(C)C(C)(C)CSc1ccc(C(=O)[O-])nc1C#N	ZINC001590963876	991066419	/nfs/dbraw/zinc/06/64/19/991066419.db2.gz	NWCDNTXIFMABLE-UHFFFAOYSA-N	-1	0	278.377	3.426	20	30		CGEDRM
CC(C)C1CCC(Nc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001591081593	991593825	/nfs/dbraw/zinc/59/38/25/991593825.db2.gz	JGTUJIOKFCOVAV-UHFFFAOYSA-N	-1	0	287.363	3.278	20	30		CGEDRM
C[C@@H](OC(=O)CCCCCC#N)c1cc(C(=O)[O-])co1	ZINC001593513270	995521881	/nfs/dbraw/zinc/52/18/81/995521881.db2.gz	AQTXRYJOSFAGPD-SNVBAGLBSA-N	-1	0	279.292	3.056	20	30		CGEDRM
C[C@@H](OC(=O)CC#Cc1ccccc1)c1ccc(C(=O)[O-])o1	ZINC001593516412	995547481	/nfs/dbraw/zinc/54/74/81/995547481.db2.gz	SNCFPGQNLJJRRE-GFCCVEGCSA-N	-1	0	298.294	3.024	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N[C@@H](C)CC(C)(C)C#N	ZINC001599375494	998478447	/nfs/dbraw/zinc/47/84/47/998478447.db2.gz	MKSBCGFFIRIKDJ-JTQLQIEISA-N	-1	0	276.336	3.134	20	30		CGEDRM
N#CC(=C([O-])c1cocn1)c1nc(-c2ccccc2)cs1	ZINC000105759047	345929408	/nfs/dbraw/zinc/92/94/08/345929408.db2.gz	KJDLLNSACXLXKI-NSHDSACASA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)c(C)o2)n1	ZINC000128571239	346041507	/nfs/dbraw/zinc/04/15/07/346041507.db2.gz	VWGKOTZILODGIH-JTQLQIEISA-N	-1	0	260.318	3.151	20	30		CGEDRM
N#CC1(C(=O)Nc2cccc(Cl)c2[O-])CCCCC1	ZINC000172111969	346215746	/nfs/dbraw/zinc/21/57/46/346215746.db2.gz	KAKIBMNJCHISFX-UHFFFAOYSA-N	-1	0	278.739	3.458	20	30		CGEDRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(C#N)c1	ZINC000601985425	347931407	/nfs/dbraw/zinc/93/14/07/347931407.db2.gz	VWSZVJMMYHMETI-MRXNPFEDSA-N	-1	0	288.347	3.024	20	30		CGEDRM
Cc1sc(/C=C/c2ccccc2C#N)nc1C(=O)[O-]	ZINC000352035211	219297752	/nfs/dbraw/zinc/29/77/52/219297752.db2.gz	NMCBNQIWFUWZEB-VOTSOKGWSA-N	-1	0	270.313	3.192	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630246783	350819334	/nfs/dbraw/zinc/81/93/34/350819334.db2.gz	AMZKYTOSMLPBEQ-WBMJQRKESA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630246780	350819370	/nfs/dbraw/zinc/81/93/70/350819370.db2.gz	AMZKYTOSMLPBEQ-BLLLJJGKSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634864503	351598445	/nfs/dbraw/zinc/59/84/45/351598445.db2.gz	NDEJGFTUUVLMNO-QGZVFWFLSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)CC2(CC(=O)[O-])CCCCC2)C1	ZINC000634938147	351606397	/nfs/dbraw/zinc/60/63/97/351606397.db2.gz	BRGNLVWZGORVEM-AWEZNQCLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
Cc1ccc(F)c(/C=C/c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000342079347	216212657	/nfs/dbraw/zinc/21/26/57/216212657.db2.gz	CXNDTYSSOONOFL-ZZXKWVIFSA-N	-1	0	282.274	3.269	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1	ZINC000048505717	369356869	/nfs/dbraw/zinc/35/68/69/369356869.db2.gz	ZGSOZMOXFRLWKG-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
CC(C)C[C@H](Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000061845373	369608454	/nfs/dbraw/zinc/60/84/54/369608454.db2.gz	WPENPCCUTHZCHX-LBPRGKRZSA-N	-1	0	266.728	3.123	20	30		CGEDRM
CC(C)C[C@H](CNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000094703537	370168671	/nfs/dbraw/zinc/16/86/71/370168671.db2.gz	ADYXOKZLPQJQAL-SNVBAGLBSA-N	-1	0	280.755	3.370	20	30		CGEDRM
C=CCN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000154134049	371821114	/nfs/dbraw/zinc/82/11/14/371821114.db2.gz	MQPODZQWYHXYSF-UHFFFAOYSA-N	-1	0	275.735	3.457	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000429353215	372354746	/nfs/dbraw/zinc/35/47/46/372354746.db2.gz	YMYFNJRRJCYHHD-LLVKDONJSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1ccsc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190912395	375550069	/nfs/dbraw/zinc/55/00/69/375550069.db2.gz	GXZOSXVDBUCQRG-NSHDSACASA-N	-1	0	293.351	3.490	20	30		CGEDRM
C#CCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000192198063	375711428	/nfs/dbraw/zinc/71/14/28/375711428.db2.gz	PYEWJZWUYXOUGF-UHFFFAOYSA-N	-1	0	272.131	3.441	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccnc(C#N)c2)n1	ZINC000193635814	375900045	/nfs/dbraw/zinc/90/00/45/375900045.db2.gz	WNYVAXKFUWKZMJ-GFCCVEGCSA-N	-1	0	296.355	3.023	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000539454959	376313349	/nfs/dbraw/zinc/31/33/49/376313349.db2.gz	MBNADDGWWONWIB-SNVBAGLBSA-N	-1	0	296.440	3.124	20	30		CGEDRM
C=C(C)CCNc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000572647417	377550649	/nfs/dbraw/zinc/55/06/49/377550649.db2.gz	MIHRVPPIJWDGFM-UHFFFAOYSA-N	-1	0	291.376	3.384	20	30		CGEDRM
Cc1ncoc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361524335	381787206	/nfs/dbraw/zinc/78/72/06/381787206.db2.gz	KKCQNMBEVGQNBH-ZDUSSCGKSA-N	-1	0	277.283	3.021	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1cc(C(F)(F)F)ccn1	ZINC000362132579	381885707	/nfs/dbraw/zinc/88/57/07/381885707.db2.gz	BVKVSVVUOBTURO-SNVBAGLBSA-N	-1	0	280.205	3.183	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cccc(C(=O)[O-])c1	ZINC000574810439	335049102	/nfs/dbraw/zinc/04/91/02/335049102.db2.gz	FQXNLCFDUJYPDS-UHFFFAOYSA-N	-1	0	275.348	3.203	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647373815	392710621	/nfs/dbraw/zinc/71/06/21/392710621.db2.gz	PDXXWORKHMGJKY-NSHDSACASA-N	-1	0	272.329	3.412	20	30		CGEDRM
CCc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1	ZINC000647380147	392713884	/nfs/dbraw/zinc/71/38/84/392713884.db2.gz	OQDLLZYPUMZREX-GFCCVEGCSA-N	-1	0	297.383	3.468	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C)c2)n1	ZINC000671745090	543184161	/nfs/dbraw/zinc/18/41/61/543184161.db2.gz	PRNXLBCTXNAEBL-JTQLQIEISA-N	-1	0	262.359	3.312	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NC1CCC(C(=O)[O-])CC1	ZINC000062784926	175674190	/nfs/dbraw/zinc/67/41/90/175674190.db2.gz	MWNSSBMUFRSEHB-UHFFFAOYSA-N	-1	0	278.739	3.267	20	30		CGEDRM
C=C(C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC000652430652	418966313	/nfs/dbraw/zinc/96/63/13/418966313.db2.gz	SWJRUINUNQUMIN-LBPRGKRZSA-N	-1	0	287.281	3.339	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)NCCCCC(=O)[O-])CCCC1(C)C	ZINC000666559046	419226530	/nfs/dbraw/zinc/22/65/30/419226530.db2.gz	OFHSQXNZXLLEPH-ZDUSSCGKSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000336191681	228209189	/nfs/dbraw/zinc/20/91/89/228209189.db2.gz	CWKYKFVKINQNDG-INWYIAFRSA-N	-1	0	285.130	3.187	20	30		CGEDRM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000336191683	228209367	/nfs/dbraw/zinc/20/93/67/228209367.db2.gz	CWKYKFVKINQNDG-QTTZVWFDSA-N	-1	0	285.130	3.187	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1	ZINC000076755580	260166775	/nfs/dbraw/zinc/16/67/75/260166775.db2.gz	JYRJQAULDLGGAR-VXGBXAGGSA-N	-1	0	281.377	3.158	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C1C(C)(C)C1(C)C	ZINC000080292835	260179928	/nfs/dbraw/zinc/17/99/28/260179928.db2.gz	SZOQTYCGLPQDCW-UHFFFAOYSA-N	-1	0	275.414	3.144	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCC(F)(F)C2)c1	ZINC000280466878	263062004	/nfs/dbraw/zinc/06/20/04/263062004.db2.gz	XZCYHBMYBFHCDL-PTPOTIKZSA-N	-1	0	284.262	3.155	20	30		CGEDRM
C[C@@H]1CCC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000330779736	264035898	/nfs/dbraw/zinc/03/58/98/264035898.db2.gz	MSRCDGBAKMUXCE-GHMZBOCLSA-N	-1	0	292.335	3.431	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286888362	264594231	/nfs/dbraw/zinc/59/42/31/264594231.db2.gz	LWZGXMXNVZBJSJ-UHFFFAOYSA-N	-1	0	269.703	3.317	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000263259182	277781604	/nfs/dbraw/zinc/78/16/04/277781604.db2.gz	JHMFBEKVFXIKEW-ZWNOBZJWSA-N	-1	0	295.766	3.184	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C	ZINC000192901350	277783229	/nfs/dbraw/zinc/78/32/29/277783229.db2.gz	ANCHUAHONALMJW-DZGCQCFKSA-N	-1	0	289.375	3.229	20	30		CGEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000285971485	328248510	/nfs/dbraw/zinc/24/85/10/328248510.db2.gz	DWHYIPQJXDVZQT-GFCCVEGCSA-N	-1	0	270.691	3.063	20	30		CGEDRM
CC[C@H](CC#N)NCc1cc(O)cc(C(F)(F)F)c1	ZINC000290972759	328261339	/nfs/dbraw/zinc/26/13/39/328261339.db2.gz	XOYXEPGEBPMLAV-LLVKDONJSA-N	-1	0	272.270	3.193	20	30		CGEDRM
C=C[C@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1	ZINC000534736007	328358539	/nfs/dbraw/zinc/35/85/39/328358539.db2.gz	ZMHBRHLDIXXHNC-CYBMUJFWSA-N	-1	0	293.370	3.074	20	30		CGEDRM
CCn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1	ZINC000358672394	328891006	/nfs/dbraw/zinc/89/10/06/328891006.db2.gz	YXROWDPGFJLASO-LLVKDONJSA-N	-1	0	296.355	3.003	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000262889762	330036297	/nfs/dbraw/zinc/03/62/97/330036297.db2.gz	AGCJUASMCKFTSA-LBPRGKRZSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000263026387	330039168	/nfs/dbraw/zinc/03/91/68/330039168.db2.gz	MMOKYMUDJIHNPY-DZGCQCFKSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC000263042387	330040230	/nfs/dbraw/zinc/04/02/30/330040230.db2.gz	ZUKWLKZVCCUBEA-CYBMUJFWSA-N	-1	0	295.766	3.106	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@H](C)C3)n1	ZINC000453596724	331135621	/nfs/dbraw/zinc/13/56/21/331135621.db2.gz	XSOBJPDHJRUXQR-MFKMUULPSA-N	-1	0	298.367	3.265	20	30		CGEDRM
CC#CCCSc1n[n-]c(=Nc2ccccc2)s1	ZINC000462403537	331321401	/nfs/dbraw/zinc/32/14/01/331321401.db2.gz	YURLBMUAORYZCJ-UHFFFAOYSA-N	-1	0	275.402	3.209	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)s1	ZINC000178716799	333077043	/nfs/dbraw/zinc/07/70/43/333077043.db2.gz	LCKSNDMZLTXOQY-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
CC#CCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000185022240	333134539	/nfs/dbraw/zinc/13/45/39/333134539.db2.gz	ZMQYPQCZWRSDMH-UHFFFAOYSA-N	-1	0	296.710	3.086	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000569136478	334857378	/nfs/dbraw/zinc/85/73/78/334857378.db2.gz	CKNGDRLQKRALDV-UHFFFAOYSA-N	-1	0	287.281	3.449	20	30		CGEDRM
CC(C)c1ncc(/C=C/c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000344010675	528339698	/nfs/dbraw/zinc/33/96/98/528339698.db2.gz	LFLFBSTUNOHPBO-GQCTYLIASA-N	-1	0	299.355	3.402	20	30		CGEDRM
C=CCCCOC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738493431	571805148	/nfs/dbraw/zinc/80/51/48/571805148.db2.gz	NNNSIPSJHWNWFI-UHFFFAOYSA-N	-1	0	267.256	3.039	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCOc3ccccc3C2=O)cc1	ZINC000728442025	571806197	/nfs/dbraw/zinc/80/61/97/571806197.db2.gz	TYXZCNHCHGGIKY-SDNWHVSQSA-N	-1	0	294.306	3.434	20	30		CGEDRM
C=C(Cl)COC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738495465	571806729	/nfs/dbraw/zinc/80/67/29/571806729.db2.gz	YMZYFUMMVAJMPL-UHFFFAOYSA-N	-1	0	290.102	3.339	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc(F)cc2)cs1	ZINC000730148266	571951073	/nfs/dbraw/zinc/95/10/73/571951073.db2.gz	DFZAPVPACIQVIF-UTCJRWHESA-N	-1	0	276.288	3.482	20	30		CGEDRM
CCC(N=Nc1nc(C)cc(=O)[n-]1)C1CCCCC1	ZINC000750910231	572334641	/nfs/dbraw/zinc/33/46/41/572334641.db2.gz	JRLSOXXJBUQDPO-UHFFFAOYSA-N	-1	0	262.357	3.249	20	30		CGEDRM
COc1cccc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738111268	572364660	/nfs/dbraw/zinc/36/46/60/572364660.db2.gz	BTKLWEFYCWLUAQ-OAHLLOKOSA-N	-1	0	299.351	3.485	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(O)c2)s1	ZINC000730589304	572364873	/nfs/dbraw/zinc/36/48/73/572364873.db2.gz	BJXZXXJAROARGC-PLNGDYQASA-N	-1	0	274.297	3.048	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cccc(F)c2F)c1	ZINC000730722795	572370263	/nfs/dbraw/zinc/37/02/63/572370263.db2.gz	UDVNBKLWHVKDHO-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1	ZINC000738357630	572372308	/nfs/dbraw/zinc/37/23/08/572372308.db2.gz	LIIDSOBDZWNQCM-HWKANZROSA-N	-1	0	270.284	3.491	20	30		CGEDRM
Cc1oc(C=NNc2cccc3cnccc32)cc1C(=O)[O-]	ZINC000738969527	572397899	/nfs/dbraw/zinc/39/78/99/572397899.db2.gz	LHIXYQDYEFBZDG-UHFFFAOYSA-N	-1	0	295.298	3.280	20	30		CGEDRM
N#Cc1ccc([C@@H](OC(=O)C=C2CCCCC2)C(=O)[O-])cc1	ZINC000739110530	572401782	/nfs/dbraw/zinc/40/17/82/572401782.db2.gz	QWYPEHAUCGKNDP-MRXNPFEDSA-N	-1	0	299.326	3.118	20	30		CGEDRM
N#Cc1ccnc(SCc2ccc(F)cc2C(=O)[O-])c1	ZINC000739143145	572402903	/nfs/dbraw/zinc/40/29/03/572402903.db2.gz	XJBBHMWDBABOLQ-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
O=C([O-])CC[C@@H](/N=C\c1cccc(O)c1O)c1ccccc1	ZINC000739659876	572422062	/nfs/dbraw/zinc/42/20/62/572422062.db2.gz	PXYLQCRVJRSKJP-JVVDOCDTSA-N	-1	0	299.326	3.123	20	30		CGEDRM
COc1cccc(O)c1C=Nc1ccc(NC(=O)[O-])cc1	ZINC000739952273	572428088	/nfs/dbraw/zinc/42/80/88/572428088.db2.gz	LDZHBUDHTGDJTP-UHFFFAOYSA-N	-1	0	286.287	3.241	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCc3ccccc32)c1	ZINC000731938543	572439267	/nfs/dbraw/zinc/43/92/67/572439267.db2.gz	UJTYKPZWEOPIOJ-FHXOWUIVSA-N	-1	0	296.326	3.449	20	30		CGEDRM
N#Cc1ccc(NC[C@@H]2CCCN(C(=O)[O-])C2)cc1Cl	ZINC000740319387	572439815	/nfs/dbraw/zinc/43/98/15/572439815.db2.gz	REBGORKWPJYUSI-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
CC(=NNCC(F)F)c1ccc(Cl)c(Cl)c1[O-]	ZINC000740617768	572447052	/nfs/dbraw/zinc/44/70/52/572447052.db2.gz	OWPVDJTVZQBNIN-UHFFFAOYSA-N	-1	0	283.105	3.278	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CC=CCC2)c1[O-]	ZINC000735979026	572759235	/nfs/dbraw/zinc/75/92/35/572759235.db2.gz	UNMBSAHOORBQCM-SHLUWWQESA-N	-1	0	280.711	3.481	20	30		CGEDRM
C[C@@H](C#N)Oc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)cc1	ZINC000736201510	572772144	/nfs/dbraw/zinc/77/21/44/572772144.db2.gz	HNMXUDAXEGKJAC-QSLRECBCSA-N	-1	0	294.310	3.241	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(N=Cc2cccc(O)c2O)cc1	ZINC000736230124	572774924	/nfs/dbraw/zinc/77/49/24/572774924.db2.gz	BPMGTIZIRFKZJX-UHFFFAOYSA-N	-1	0	299.326	3.211	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2=O	ZINC000748146695	572963119	/nfs/dbraw/zinc/96/31/19/572963119.db2.gz	LMTKEMCENLNCLD-QPEQYQDCSA-N	-1	0	295.294	3.431	20	30		CGEDRM
C/C(=C\C(=O)Nc1cc(C#N)ccc1[O-])c1ccc(F)cc1	ZINC000748410641	572975962	/nfs/dbraw/zinc/97/59/62/572975962.db2.gz	BPTNJPQITQLXPC-DHZHZOJOSA-N	-1	0	296.301	3.445	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Cl)nc2)s1	ZINC000749000194	572987910	/nfs/dbraw/zinc/98/79/10/572987910.db2.gz	VBDRORCSULUONX-IWQZZHSRSA-N	-1	0	293.731	3.391	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccsc2)cc1	ZINC000749105637	572989184	/nfs/dbraw/zinc/98/91/84/572989184.db2.gz	WJRUQSHFGKQCKJ-ZZXKWVIFSA-N	-1	0	258.298	3.342	20	30		CGEDRM
[O-]c1c(F)cc(C=NNCc2ccc(F)c(F)c2)cc1F	ZINC000749858385	573048911	/nfs/dbraw/zinc/04/89/11/573048911.db2.gz	KIIIHCRCZXMCJE-UHFFFAOYSA-N	-1	0	298.239	3.072	20	30		CGEDRM
C=CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1	ZINC000237283287	599844033	/nfs/dbraw/zinc/84/40/33/599844033.db2.gz	VFKSKNGKRJKMPN-CYBMUJFWSA-N	-1	0	293.388	3.007	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1	ZINC000158287670	598201297	/nfs/dbraw/zinc/20/12/97/598201297.db2.gz	SLCASKIGKYIQND-RMKNXTFCSA-N	-1	0	277.279	3.153	20	30		CGEDRM
C[C@@H](Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827773121	600738160	/nfs/dbraw/zinc/73/81/60/600738160.db2.gz	ABQNGIYSZSRBRK-GFCCVEGCSA-N	-1	0	296.326	3.195	20	30		CGEDRM
CCC(C)(C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000828609783	600742960	/nfs/dbraw/zinc/74/29/60/600742960.db2.gz	YWXMQNRRDGNXEK-CQSZACIVSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCCC[C@H](Sc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000829296792	600841002	/nfs/dbraw/zinc/84/10/02/600841002.db2.gz	YSTWTRRARCEKJD-LBPRGKRZSA-N	-1	0	267.325	3.433	20	30		CGEDRM
N#Cc1cccc([C@@H](Nc2ccc(Cl)cc2)C(=O)[O-])c1	ZINC000833074710	601297958	/nfs/dbraw/zinc/29/79/58/601297958.db2.gz	DTEWTRWBPYOSDU-CQSZACIVSA-N	-1	0	286.718	3.449	20	30		CGEDRM
N#Cc1cccc([C@H](Nc2ccc(F)c(F)c2)C(=O)[O-])c1	ZINC000833076535	601299887	/nfs/dbraw/zinc/29/98/87/601299887.db2.gz	WOXPMSPZYMKCRV-AWEZNQCLSA-N	-1	0	288.253	3.074	20	30		CGEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCCc3ccccc32)c1	ZINC000833074374	601309853	/nfs/dbraw/zinc/30/98/53/601309853.db2.gz	WQMQONJIGNHPEZ-KRWDZBQOSA-N	-1	0	292.338	3.137	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c(C)s1	ZINC000832859135	601330736	/nfs/dbraw/zinc/33/07/36/601330736.db2.gz	LRDTYYHNFABHKI-XQRVVYSFSA-N	-1	0	275.329	3.287	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Cc3c(cccc3Cl)C2=O)[nH]1	ZINC000833312386	601332222	/nfs/dbraw/zinc/33/22/22/601332222.db2.gz	OSCHZYZZERPVNM-VURMDHGXSA-N	-1	0	287.702	3.189	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCCCC(C)(C)C#N	ZINC000087596464	601346302	/nfs/dbraw/zinc/34/63/02/601346302.db2.gz	QYKJLTZYSOUENT-UHFFFAOYSA-N	-1	0	261.321	3.402	20	30		CGEDRM
C=CCCCC(=O)Nc1cccc(CSCC(=O)[O-])c1	ZINC000825671028	601436658	/nfs/dbraw/zinc/43/66/58/601436658.db2.gz	AVYFTPMDDHVKME-UHFFFAOYSA-N	-1	0	293.388	3.299	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc3ccccc3o2)[nH]1	ZINC000833311674	601444843	/nfs/dbraw/zinc/44/48/43/601444843.db2.gz	AFVRNBWRKMTMKL-SOFGYWHQSA-N	-1	0	281.267	3.355	20	30		CGEDRM
C=CCCCC(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC000825664505	601449253	/nfs/dbraw/zinc/44/92/53/601449253.db2.gz	CHEUCZQILJCXFH-UHFFFAOYSA-N	-1	0	273.332	3.020	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2cc(C(F)(F)F)ccc2F)[n-]1	ZINC000899353156	620649141	/nfs/dbraw/zinc/64/91/41/620649141.db2.gz	UVYQQEOXEKGQBP-UHFFFAOYSA-N	-1	0	298.239	3.351	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)s1	ZINC000830229122	601791864	/nfs/dbraw/zinc/79/18/64/601791864.db2.gz	LDPOQVIIIYVOAS-HWKANZROSA-N	-1	0	275.329	3.233	20	30		CGEDRM
Cc1cc(C)c(NN=Cc2c[nH]c(C(=O)[O-])c2)c(C)c1	ZINC000814860615	601797787	/nfs/dbraw/zinc/79/77/87/601797787.db2.gz	RHAGYYQYRIDGCC-UHFFFAOYSA-N	-1	0	271.320	3.084	20	30		CGEDRM
N#Cc1ccccc1CNc1cc(F)c(F)cc1C(=O)[O-]	ZINC000833075061	601830589	/nfs/dbraw/zinc/83/05/89/601830589.db2.gz	KIRHDKAFGLDSOO-UHFFFAOYSA-N	-1	0	288.253	3.147	20	30		CGEDRM
N#CCCCOc1cccc(NCc2c[nH]c(C(=O)[O-])c2)c1	ZINC000833065928	601831671	/nfs/dbraw/zinc/83/16/71/601831671.db2.gz	PHYWMSBIOSYNEP-UHFFFAOYSA-N	-1	0	299.330	3.008	20	30		CGEDRM
CCCCCCCCCC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000109061800	602014700	/nfs/dbraw/zinc/01/47/00/602014700.db2.gz	GKKOLHAWMZTJHX-INIZCTEOSA-N	-1	0	283.412	3.450	20	30		CGEDRM
CCCCCCCCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000829357268	602056979	/nfs/dbraw/zinc/05/69/79/602056979.db2.gz	MQTWSCSJCWXRDV-MRXNPFEDSA-N	-1	0	298.427	3.243	20	30		CGEDRM
Cc1cc(NCc2ccc(F)c(C#N)c2)ccc1C(=O)[O-]	ZINC000832897202	602102206	/nfs/dbraw/zinc/10/22/06/602102206.db2.gz	MOHYYOYRPWFNRB-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cc3c(s2)CCC3)o1	ZINC000833311770	602150178	/nfs/dbraw/zinc/15/01/78/602150178.db2.gz	COKDTUYVUQMNFP-XQRVVYSFSA-N	-1	0	288.324	3.424	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1COc1cc(Cl)ccc1C#N	ZINC000128904924	602308953	/nfs/dbraw/zinc/30/89/53/602308953.db2.gz	KIYOWEYNGQNACQ-UHFFFAOYSA-N	-1	0	291.690	3.390	20	30		CGEDRM
CCCCCCCC(=O)N(C)c1ncc(C(=O)[O-])s1	ZINC000829356270	602331597	/nfs/dbraw/zinc/33/15/97/602331597.db2.gz	AFFLCXMDGQKSIK-UHFFFAOYSA-N	-1	0	284.381	3.165	20	30		CGEDRM
C=CCCCN(C)C(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823496682	602967420	/nfs/dbraw/zinc/96/74/20/602967420.db2.gz	OEAQLVGLAWITDA-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
N#Cc1cccc(CNc2cc(NC(=O)[O-])ccc2F)c1	ZINC000831146815	604220068	/nfs/dbraw/zinc/22/00/68/604220068.db2.gz	ZOUYERAXNQVKJL-UHFFFAOYSA-N	-1	0	285.278	3.399	20	30		CGEDRM
O=C(C=Cc1ccnn1C1CCC1)c1sccc1[O-]	ZINC000899365603	620673791	/nfs/dbraw/zinc/67/37/91/620673791.db2.gz	BQKHZXCGXNPZML-SNAWJCMRSA-N	-1	0	274.345	3.271	20	30		CGEDRM
C=CCC[C@H](Nc1ccc(C(=O)[O-])nn1)c1ccccc1	ZINC000825664861	604462935	/nfs/dbraw/zinc/46/29/35/604462935.db2.gz	OMBYXYYGEPOMNR-ZDUSSCGKSA-N	-1	0	283.331	3.294	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C)cc1C(=O)[O-])OCC	ZINC000833367700	604553862	/nfs/dbraw/zinc/55/38/62/604553862.db2.gz	RMTLUVBRNYPQKG-CQSZACIVSA-N	-1	0	291.347	3.003	20	30		CGEDRM
CC(=NNC1CCCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814832926	604638768	/nfs/dbraw/zinc/63/87/68/604638768.db2.gz	RTMCMVMJRWHHGP-NSHDSACASA-N	-1	0	254.374	3.176	20	30		CGEDRM
C[C@H](SCc1ccccc1C(C)(C)C#N)C(=O)[O-]	ZINC000827909234	604711887	/nfs/dbraw/zinc/71/18/87/604711887.db2.gz	UYFOWLQPNOTZPQ-JTQLQIEISA-N	-1	0	263.362	3.194	20	30		CGEDRM
Cc1cc([C@@H](C)Sc2ccc(C#N)cn2)oc1C(=O)[O-]	ZINC000832873412	604712679	/nfs/dbraw/zinc/71/26/79/604712679.db2.gz	JXXVCONAQSTDNN-SECBINFHSA-N	-1	0	288.328	3.406	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1ccc(C(=O)[O-])cc1F	ZINC000833482936	604761081	/nfs/dbraw/zinc/76/10/81/604761081.db2.gz	CNGXNAPUJOQZJZ-UHFFFAOYSA-N	-1	0	292.354	3.286	20	30		CGEDRM
CCOc1ccc(/C=N/CC(CC)(CC)C(=O)[O-])c(O)c1	ZINC000833664594	605052139	/nfs/dbraw/zinc/05/21/39/605052139.db2.gz	YWIULSILSCJRAP-LICLKQGHSA-N	-1	0	293.363	3.101	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC=C1COc2ccccc2C1	ZINC000812446018	605099041	/nfs/dbraw/zinc/09/90/41/605099041.db2.gz	JSEYRUKNJOBLPG-UHFFFAOYSA-N	-1	0	294.310	3.259	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(F)ccc1O	ZINC000812442278	605101121	/nfs/dbraw/zinc/10/11/21/605101121.db2.gz	XBOSBRJGIRJQQU-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC=CCc1ccco1	ZINC000833783693	605102224	/nfs/dbraw/zinc/10/22/24/605102224.db2.gz	DBXNXDAMVPAPGJ-JPYZBZMJSA-N	-1	0	256.261	3.089	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000040547171	605134970	/nfs/dbraw/zinc/13/49/70/605134970.db2.gz	SQJRHYMNGOLJMR-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833373736	605280078	/nfs/dbraw/zinc/28/00/78/605280078.db2.gz	AAQNBXMKOUTCJO-UHFFFAOYSA-N	-1	0	295.314	3.346	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)[C@@H](C)C1	ZINC000783862901	605328767	/nfs/dbraw/zinc/32/87/67/605328767.db2.gz	NVACANQWIYBBMI-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](CC)C1	ZINC000833853147	605362327	/nfs/dbraw/zinc/36/23/27/605362327.db2.gz	NTWMQLQBVUQZHF-UONOGXRCSA-N	-1	0	298.427	3.242	20	30		CGEDRM
Cc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])cc1	ZINC000050920979	605544408	/nfs/dbraw/zinc/54/44/08/605544408.db2.gz	LTLGJGNKTDBGPN-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
O=C([O-])N1CCCC(N=Nc2ccc3ccccc3n2)CC1	ZINC000834097237	605990942	/nfs/dbraw/zinc/99/09/42/605990942.db2.gz	UYYQLSNBTLBRHG-UHFFFAOYSA-N	-1	0	298.346	3.167	20	30		CGEDRM
O=C([O-])Nc1cccc(CON=Cc2ccccc2F)c1	ZINC000834269678	605992383	/nfs/dbraw/zinc/99/23/83/605992383.db2.gz	MPLPRGJCWOWRNN-UHFFFAOYSA-N	-1	0	288.278	3.466	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000899540144	620708290	/nfs/dbraw/zinc/70/82/90/620708290.db2.gz	HWPGJPUZCRCCMJ-GFCCVEGCSA-N	-1	0	275.348	3.245	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccccc2)c(C)s1	ZINC000049501723	617611503	/nfs/dbraw/zinc/61/15/03/617611503.db2.gz	WNRATWHRIVQDCG-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
Cc1noc(C)c1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000254967184	617695613	/nfs/dbraw/zinc/69/56/13/617695613.db2.gz	HRBCGKBLNTVVSV-XQRVVYSFSA-N	-1	0	261.252	3.032	20	30		CGEDRM
Cc1c(C#N)cccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000255002551	617723040	/nfs/dbraw/zinc/72/30/40/617723040.db2.gz	ZOSOMAZJRMGDBA-UHFFFAOYSA-N	-1	0	281.271	3.231	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccc(F)c2)n1	ZINC000255047958	617778012	/nfs/dbraw/zinc/77/80/12/617778012.db2.gz	RVEVJAAMLCULRD-SZZPACECSA-N	-1	0	286.331	3.480	20	30		CGEDRM
COCCOc1ccccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000255107372	617924115	/nfs/dbraw/zinc/92/41/15/617924115.db2.gz	HCYNONFLRYHUGS-KHPPLWFESA-N	-1	0	298.338	3.314	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2o1	ZINC000255217506	618093919	/nfs/dbraw/zinc/09/39/19/618093919.db2.gz	PUJZITVCNWTLQW-MEJMFZKBSA-N	-1	0	289.294	3.112	20	30		CGEDRM
Cc1ccc(N=Cc2ccc(O)c(O)c2O)c(F)c1	ZINC000255357047	618216134	/nfs/dbraw/zinc/21/61/34/618216134.db2.gz	WYUZAEPZOKAGOR-UHFFFAOYSA-N	-1	0	261.252	3.002	20	30		CGEDRM
Cc1noc(C)c1CC/N=C\c1cc(Cl)ccc1O	ZINC000255540584	618661254	/nfs/dbraw/zinc/66/12/54/618661254.db2.gz	DZBOABRRVQAGGC-PXNMLYILSA-N	-1	0	278.739	3.312	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2ccc(F)cc2)c1	ZINC000255560579	618680459	/nfs/dbraw/zinc/68/04/59/618680459.db2.gz	UUFPKAUVDMHQPP-YVLHZVERSA-N	-1	0	288.278	3.101	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(F)c(F)c2)c1	ZINC000255773483	618790949	/nfs/dbraw/zinc/79/09/49/618790949.db2.gz	QKAYGLWBFHYEOL-UHFFFAOYSA-N	-1	0	278.214	3.329	20	30		CGEDRM
CC(C)CC1(C(=O)Nc2cc(C#N)ccc2[O-])CCC1	ZINC000179735492	618799907	/nfs/dbraw/zinc/79/99/07/618799907.db2.gz	XASSDKJDJSQWFU-UHFFFAOYSA-N	-1	0	272.348	3.419	20	30		CGEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119271014	618976614	/nfs/dbraw/zinc/97/66/14/618976614.db2.gz	QPXZZMVYTJDFFT-GQCTYLIASA-N	-1	0	276.723	3.282	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1ncc(C)s1	ZINC000194787174	619142904	/nfs/dbraw/zinc/14/29/04/619142904.db2.gz	SCWYYOJNPZXLNA-UHFFFAOYSA-N	-1	0	276.427	3.164	20	30		CGEDRM
CCCCCCCC(=O)N[C@@](C)(CC)CC(=O)[O-]	ZINC000236841385	619306314	/nfs/dbraw/zinc/30/63/14/619306314.db2.gz	TUTMGPSPUOGWGC-AWEZNQCLSA-N	-1	0	257.374	3.107	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccnn1C1CCC1	ZINC000901122386	620833974	/nfs/dbraw/zinc/83/39/74/620833974.db2.gz	BLDOTLDZZYZOTM-UHFFFAOYSA-N	-1	0	298.346	3.142	20	30		CGEDRM
CC1(C)CC2(CC(N=Nc3ccccc3C(=O)[O-])C2)CO1	ZINC000901159027	620835860	/nfs/dbraw/zinc/83/58/60/620835860.db2.gz	NAEYPOXGKVBYOB-UHFFFAOYSA-N	-1	0	288.347	3.132	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000901261402	620849452	/nfs/dbraw/zinc/84/94/52/620849452.db2.gz	GVWSMJGIXHXSLL-NSHDSACASA-N	-1	0	285.347	3.074	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)c(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000901318181	620859346	/nfs/dbraw/zinc/85/93/46/620859346.db2.gz	QYHAEOGGWYVXPA-IUCAKERBSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)c(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000901318179	620859385	/nfs/dbraw/zinc/85/93/85/620859385.db2.gz	QYHAEOGGWYVXPA-DTWKUNHWSA-N	-1	0	282.290	3.254	20	30		CGEDRM
CCCCCCCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC000902134630	621151714	/nfs/dbraw/zinc/15/17/14/621151714.db2.gz	PDPBIVQNACUITI-BQYQJAHWSA-N	-1	0	279.336	3.078	20	30		CGEDRM
C=C(C)COc1cccc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000902219705	621197576	/nfs/dbraw/zinc/19/75/76/621197576.db2.gz	PKOWFUMLYSJMGU-KCPJHIHWSA-N	-1	0	275.348	3.163	20	30		CGEDRM
C=CCCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21	ZINC000902825330	621457358	/nfs/dbraw/zinc/45/73/58/621457358.db2.gz	LFQPPAVLQIGMKA-ZDUSSCGKSA-N	-1	0	287.359	3.023	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000907582611	622302306	/nfs/dbraw/zinc/30/23/06/622302306.db2.gz	SHAJYGVWXGUJMH-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1NCC	ZINC000907787384	622312669	/nfs/dbraw/zinc/31/26/69/622312669.db2.gz	BFGBOJHSSVLTPM-LLVKDONJSA-N	-1	0	290.363	3.357	20	30		CGEDRM
C=CC1(CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCCCC1	ZINC000908387495	622349123	/nfs/dbraw/zinc/34/91/23/622349123.db2.gz	SJNXXDRWTGCFRS-KGLIPLIRSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000909108350	622396307	/nfs/dbraw/zinc/39/63/07/622396307.db2.gz	ROFUXBGRRIQMOF-UHFFFAOYSA-N	-1	0	279.723	3.333	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000909836455	622430084	/nfs/dbraw/zinc/43/00/84/622430084.db2.gz	PZKQICHHNZPSCP-JTQLQIEISA-N	-1	0	261.321	3.025	20	30		CGEDRM
C=CCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000909916176	622434092	/nfs/dbraw/zinc/43/40/92/622434092.db2.gz	FFFYCQZGZLONGR-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000910282959	622471376	/nfs/dbraw/zinc/47/13/76/622471376.db2.gz	YBWSXOWLAUSWOE-UHFFFAOYSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911686158	622543358	/nfs/dbraw/zinc/54/33/58/622543358.db2.gz	HOIIKBJMIMQFOM-HNNXBMFYSA-N	-1	0	279.311	3.373	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)c([O-])c1	ZINC000044603017	622814482	/nfs/dbraw/zinc/81/44/82/622814482.db2.gz	DBXHRFIGJFDOIL-VQHVLOKHSA-N	-1	0	263.296	3.468	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000764442923	623903890	/nfs/dbraw/zinc/90/38/90/623903890.db2.gz	SIRFAFVXNFRNGE-SNAWJCMRSA-N	-1	0	276.313	3.064	20	30		CGEDRM
O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccccc2)cc1	ZINC000915981058	624089034	/nfs/dbraw/zinc/08/90/34/624089034.db2.gz	IPHXKUJSAGJBJW-FLIBITNWSA-N	-1	0	296.322	3.436	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc3ncccc32)cc1	ZINC000915964607	624092968	/nfs/dbraw/zinc/09/29/68/624092968.db2.gz	FNIHJLBMIAYUFZ-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2F)n1	ZINC000916843811	624217485	/nfs/dbraw/zinc/21/74/85/624217485.db2.gz	KJSGCIKYRQIJER-ZHRWSRJISA-N	-1	0	286.331	3.480	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(F)c(F)c2)c1	ZINC000920387539	624489325	/nfs/dbraw/zinc/48/93/25/624489325.db2.gz	REAZTXMHSRFXNL-IUXPMGMMSA-N	-1	0	292.241	3.198	20	30		CGEDRM
Cc1ccc(C(C)(C)C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000179742751	624681340	/nfs/dbraw/zinc/68/13/40/624681340.db2.gz	LCFHGQLZKNKEGD-UHFFFAOYSA-N	-1	0	294.354	3.489	20	30		CGEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)CCCC	ZINC000069574664	624868673	/nfs/dbraw/zinc/86/86/73/624868673.db2.gz	PNCOFKVEVRIEQY-NSHDSACASA-N	-1	0	263.403	3.289	20	30		CGEDRM
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1sccc1[O-]	ZINC000184517599	625242724	/nfs/dbraw/zinc/24/27/24/625242724.db2.gz	IBGLYHVZMOWOFV-ZZXKWVIFSA-N	-1	0	275.285	3.258	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054410	625981227	/nfs/dbraw/zinc/98/12/27/625981227.db2.gz	VHYPSMSIULFZEX-MNOVXSKESA-N	-1	0	273.398	3.042	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2o1	ZINC000788082264	626095651	/nfs/dbraw/zinc/09/56/51/626095651.db2.gz	YKMQYYSUDFTDHO-QDZRJHCZSA-N	-1	0	277.283	3.046	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000923210852	626136601	/nfs/dbraw/zinc/13/66/01/626136601.db2.gz	HWLDTGNQXZWSLA-UHFFFAOYSA-N	-1	0	293.407	3.439	20	30		CGEDRM
CN1CCc2cc(/C=C\C(=O)c3ccc(F)cc3[O-])ccc21	ZINC000751535245	626395392	/nfs/dbraw/zinc/39/53/92/626395392.db2.gz	NFSZQDSGNJPOEG-CLTKARDFSA-N	-1	0	297.329	3.420	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)s1	ZINC000755586194	626629983	/nfs/dbraw/zinc/62/99/83/626629983.db2.gz	ZYQMSJFSFGNYHA-RQOWECAXSA-N	-1	0	292.287	3.187	20	30		CGEDRM
Cc1cc(F)ccc1NN=Cc1cc(C(=O)[O-])cs1	ZINC000755800716	626647726	/nfs/dbraw/zinc/64/77/26/626647726.db2.gz	FDLMORXYOVAHQV-UHFFFAOYSA-N	-1	0	278.308	3.340	20	30		CGEDRM
CCC[C@H](C)CN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756905814	626740154	/nfs/dbraw/zinc/74/01/54/626740154.db2.gz	LJBWHGBQMIJXLI-JTQLQIEISA-N	-1	0	264.325	3.227	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000757474297	626781396	/nfs/dbraw/zinc/78/13/96/626781396.db2.gz	RQJNQWZCTNXZOM-PLNGDYQASA-N	-1	0	285.249	3.438	20	30		CGEDRM
O=C(/C=C\c1ccc(Cl)nc1)c1ccc(O)cc1[O-]	ZINC000757472769	626781553	/nfs/dbraw/zinc/78/15/53/626781553.db2.gz	SIECPNHVJUKZRS-KTAJNNJTSA-N	-1	0	275.691	3.042	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1C	ZINC000757471577	626781729	/nfs/dbraw/zinc/78/17/29/626781729.db2.gz	GOHKLYOWNDIWOR-XVNBXDOJSA-N	-1	0	284.311	3.311	20	30		CGEDRM
CCC(N=Nc1nc(C)cc(C)n1)c1ccc(C(=O)[O-])cc1	ZINC000760219522	626945260	/nfs/dbraw/zinc/94/52/60/626945260.db2.gz	UWDXKRMFAJUEIH-UHFFFAOYSA-N	-1	0	298.346	3.018	20	30		CGEDRM
CCC(N=Nc1cc(C)nc(C)n1)c1ccc(C(=O)[O-])cc1	ZINC000760242380	626947032	/nfs/dbraw/zinc/94/70/32/626947032.db2.gz	JPWWRAYZTWRICT-UHFFFAOYSA-N	-1	0	298.346	3.018	20	30		CGEDRM
CCC(N=Nc1ccc(F)cn1)c1ccc(C(=O)[O-])cc1	ZINC000760252303	626948204	/nfs/dbraw/zinc/94/82/04/626948204.db2.gz	DZLQNTQKBFXWCW-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
CCC(N=Nc1cc(C)ccn1)c1ccc(C(=O)[O-])cc1	ZINC000760261107	626950364	/nfs/dbraw/zinc/95/03/64/626950364.db2.gz	WUXDRAJWOHLFTI-UHFFFAOYSA-N	-1	0	283.331	3.314	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cnc(C3CC3)s2)cc1	ZINC000761792339	627060785	/nfs/dbraw/zinc/06/07/85/627060785.db2.gz	JHEIGVQOXARZEX-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
CC(CSC(C)(C)C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763368429	627154229	/nfs/dbraw/zinc/15/42/29/627154229.db2.gz	NWZSDSAUEYLDMY-UHFFFAOYSA-N	-1	0	281.381	3.099	20	30		CGEDRM
Cc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CCC2	ZINC000763369912	627154397	/nfs/dbraw/zinc/15/43/97/627154397.db2.gz	JYOJXDNKCRWAQO-UHFFFAOYSA-N	-1	0	295.342	3.241	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000764431272	627207082	/nfs/dbraw/zinc/20/70/82/627207082.db2.gz	AVTCRGKXFOSELS-IHWYPQMZSA-N	-1	0	294.353	3.413	20	30		CGEDRM
CC(=NNc1ccc([N+](=O)[O-])cc1)c1sccc1[O-]	ZINC000769765422	627576991	/nfs/dbraw/zinc/57/69/91/627576991.db2.gz	GKZXSGBTZZQEHT-UHFFFAOYSA-N	-1	0	277.305	3.198	20	30		CGEDRM
CC(=NNc1cnnc2ccccc21)c1sccc1[O-]	ZINC000769779867	627577417	/nfs/dbraw/zinc/57/74/17/627577417.db2.gz	PCTPPGOPYYMIMZ-UHFFFAOYSA-N	-1	0	284.344	3.233	20	30		CGEDRM
N#Cc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1F	ZINC000770572907	627627427	/nfs/dbraw/zinc/62/74/27/627627427.db2.gz	ULQQPGLDNCKUOZ-QHHAFSJGSA-N	-1	0	283.258	3.005	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cncc3ccccc23)cc1	ZINC000772828564	627827351	/nfs/dbraw/zinc/82/73/51/627827351.db2.gz	XWZYWLVBXOGXHK-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
COc1ccsc1C=CC(=O)c1sccc1[O-]	ZINC000773144066	627862477	/nfs/dbraw/zinc/86/24/77/627862477.db2.gz	VVZSQNRQMZETCG-IHWYPQMZSA-N	-1	0	266.343	3.420	20	30		CGEDRM
Cc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)cc1C#N	ZINC000874970725	634661775	/nfs/dbraw/zinc/66/17/75/634661775.db2.gz	XWDCTXIYFXENMW-UHFFFAOYSA-N	-1	0	265.268	3.044	20	30		CGEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)[C@H](C)CC	ZINC000785095968	628852037	/nfs/dbraw/zinc/85/20/37/628852037.db2.gz	ZKRGIIXLLWBPBB-CYBMUJFWSA-N	-1	0	291.457	3.372	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000789802297	629168589	/nfs/dbraw/zinc/16/85/89/629168589.db2.gz	BPTBXMZYOVYLOU-FJOGCWAESA-N	-1	0	285.372	3.484	20	30		CGEDRM
CC1(C)CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000790007359	629178695	/nfs/dbraw/zinc/17/86/95/629178695.db2.gz	QYGFRHOKHMEKFZ-GFCCVEGCSA-N	-1	0	272.348	3.419	20	30		CGEDRM
CC[C@@H](NN=C(C)c1cc(Cl)sc1Cl)C(=O)[O-]	ZINC000793055704	629406285	/nfs/dbraw/zinc/40/62/85/629406285.db2.gz	BREFBVQUFJYCKS-SSDOTTSWSA-N	-1	0	295.191	3.232	20	30		CGEDRM
CC[C@@H](NN=Cc1cccc(-c2ccc(C)cc2)c1)C(=O)[O-]	ZINC000793055695	629406686	/nfs/dbraw/zinc/40/66/86/629406686.db2.gz	BLPPGVBJQXHVID-QGZVFWFLSA-N	-1	0	296.370	3.449	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc(SC(C)C)cc1)C(=O)[O-]	ZINC000793071936	629408228	/nfs/dbraw/zinc/40/82/28/629408228.db2.gz	NKTSGDVDZHFMIQ-AWEZNQCLSA-N	-1	0	294.420	3.364	20	30		CGEDRM
CC(C)(CN=Nc1ccccc1C(=O)[O-])C(C)(F)F	ZINC000863075510	629467689	/nfs/dbraw/zinc/46/76/89/629467689.db2.gz	QUHVCZDXRKVDNZ-UHFFFAOYSA-N	-1	0	270.279	3.464	20	30		CGEDRM
C[C@@H]1CC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000794677265	629565916	/nfs/dbraw/zinc/56/59/16/629565916.db2.gz	TZRXOAVUAPTDRS-VGJDBEPUSA-N	-1	0	268.700	3.171	20	30		CGEDRM
O=C([O-])c1ccc(CN=Nc2ncccc2F)c(Cl)c1	ZINC000794983427	629613305	/nfs/dbraw/zinc/61/33/05/629613305.db2.gz	AOOMECGITHKJFT-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC000864183557	629792319	/nfs/dbraw/zinc/79/23/19/629792319.db2.gz	KWDNEAMSASTNIT-LBPRGKRZSA-N	-1	0	287.787	3.059	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)CCCCC)C(=O)[O-]	ZINC000864187500	629796229	/nfs/dbraw/zinc/79/62/29/629796229.db2.gz	MIQRJVXOQWTLBZ-OLZOCXBDSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C[C@@H]1CCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000798343313	630046032	/nfs/dbraw/zinc/04/60/32/630046032.db2.gz	CSRYDVAUPPCOBV-SCVIVROUSA-N	-1	0	262.309	3.156	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])ccc1C#N	ZINC000799497183	630191139	/nfs/dbraw/zinc/19/11/39/630191139.db2.gz	JYOVGZXRQJALQA-ZZXKWVIFSA-N	-1	0	297.285	3.308	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCOCC3)cc1	ZINC000799865348	630236119	/nfs/dbraw/zinc/23/61/19/630236119.db2.gz	FNBUTHSCQIDCLB-UHFFFAOYSA-N	-1	0	288.347	3.133	20	30		CGEDRM
Cc1[nH]c(C=NNc2ccccc2Cl)cc1C(=O)[O-]	ZINC000800805031	630299782	/nfs/dbraw/zinc/29/97/82/630299782.db2.gz	IFEXKOGDAGWXMQ-UHFFFAOYSA-N	-1	0	277.711	3.121	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000806558999	630566894	/nfs/dbraw/zinc/56/68/94/630566894.db2.gz	RKNRBQYPQOGVJZ-PLNGDYQASA-N	-1	0	283.308	3.214	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000811694318	631110998	/nfs/dbraw/zinc/11/09/98/631110998.db2.gz	VCZUMRAUKBRCJO-GQCTYLIASA-N	-1	0	285.249	3.438	20	30		CGEDRM
C=CCO[N-]C(=O)C1(Sc2ccccc2)CCCC1	ZINC000837047146	634848074	/nfs/dbraw/zinc/84/80/74/634848074.db2.gz	XPHXNLUHLFUNKF-UHFFFAOYSA-N	-1	0	277.389	3.325	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccc(F)cc2F)CCCC1	ZINC000837047332	634848095	/nfs/dbraw/zinc/84/80/95/634848095.db2.gz	HDWARLATDRTLBE-UHFFFAOYSA-N	-1	0	281.302	3.010	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@@H](Cc3ccccc3)C2)n1	ZINC000814681239	631620485	/nfs/dbraw/zinc/62/04/85/631620485.db2.gz	DGNIOYCVYCTTJW-AWEZNQCLSA-N	-1	0	296.374	3.301	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CC3(CC3)C2)ccc1Cl	ZINC000814690122	631623994	/nfs/dbraw/zinc/62/39/94/631623994.db2.gz	UYWMSZYLTMJAIZ-UHFFFAOYSA-N	-1	0	264.712	3.380	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2nc(-c3ccccc3)cs2)C1	ZINC000814768786	631635596	/nfs/dbraw/zinc/63/55/96/631635596.db2.gz	BDWXPJULVYRGPO-UHFFFAOYSA-N	-1	0	287.344	3.073	20	30		CGEDRM
CC(=NNc1ccccc1F)c1csc(C(=O)[O-])c1	ZINC000814790725	631639696	/nfs/dbraw/zinc/63/96/96/631639696.db2.gz	XPCVMQWPNGRMDG-UHFFFAOYSA-N	-1	0	278.308	3.422	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cccc3ncccc32)c1	ZINC000814804218	631643585	/nfs/dbraw/zinc/64/35/85/631643585.db2.gz	FFHKXNHNTRFBOL-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(F)c2F)CC[C@@H]1CC(=O)[O-]	ZINC000814859064	631657066	/nfs/dbraw/zinc/65/70/66/631657066.db2.gz	IWRHEGWKDOMXOW-DTWKUNHWSA-N	-1	0	282.290	3.254	20	30		CGEDRM
Cc1ccnc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@H]2C)c1	ZINC000814868340	631659598	/nfs/dbraw/zinc/65/95/98/631659598.db2.gz	OQCFGSUHVXVCAY-NWDGAFQWSA-N	-1	0	289.379	3.315	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2c(Cl)cccc2Cl)C1	ZINC000814871929	631660042	/nfs/dbraw/zinc/66/00/42/631660042.db2.gz	PEJMHVQNNSFKMW-UHFFFAOYSA-N	-1	0	273.119	3.256	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOCc1cccnc1	ZINC000814884523	631664979	/nfs/dbraw/zinc/66/49/79/631664979.db2.gz	ZPGQDCHWOGEHBJ-UHFFFAOYSA-N	-1	0	296.326	3.037	20	30		CGEDRM
COc1ccc(NN=C(C)c2csc(C(=O)[O-])c2)cc1	ZINC000814885110	631665163	/nfs/dbraw/zinc/66/51/63/631665163.db2.gz	NALPZOIFHBXODN-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
C[C@H]1C(=NOC2CCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814936509	631690411	/nfs/dbraw/zinc/69/04/11/631690411.db2.gz	WLSPQUMQCYUYFS-GXSJLCMTSA-N	-1	0	253.342	3.068	20	30		CGEDRM
O=C([O-])C1(c2cccc(Cl)c2)CC(=NOC2CCC2)C1	ZINC000814936314	631690648	/nfs/dbraw/zinc/69/06/48/631690648.db2.gz	KONIROAAUINTJZ-UHFFFAOYSA-N	-1	0	293.750	3.381	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H](C)C(C)(C)C	ZINC000814937312	631691623	/nfs/dbraw/zinc/69/16/23/631691623.db2.gz	BQXPVYHATXIDQN-LLVKDONJSA-N	-1	0	254.374	3.032	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc(Cl)n1	ZINC000814939475	631692622	/nfs/dbraw/zinc/69/26/22/631692622.db2.gz	RLGMHIHIIZVOLR-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCCCC/C(C=NNCC(=O)[O-])=C/c1ccccc1	ZINC000814959914	631698125	/nfs/dbraw/zinc/69/81/25/631698125.db2.gz	CWYZUIAUTUSHFG-XYCHMBMMSA-N	-1	0	274.364	3.310	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000815877962	631829146	/nfs/dbraw/zinc/82/91/46/631829146.db2.gz	NMEZZPQCTCZOGZ-UHFFFAOYSA-N	-1	0	261.655	3.196	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])C1	ZINC000830331433	633851637	/nfs/dbraw/zinc/85/16/37/633851637.db2.gz	DMCSPLWDQOCITC-UHFFFAOYSA-N	-1	0	277.295	3.029	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1C	ZINC000832910787	634104399	/nfs/dbraw/zinc/10/43/99/634104399.db2.gz	FUIXCTMRDYYXHY-VURMDHGXSA-N	-1	0	269.300	3.226	20	30		CGEDRM
C=CCC1(CN=Nc2ccc(C(=O)[O-])cc2)CCOCC1	ZINC000872323849	634108551	/nfs/dbraw/zinc/10/85/51/634108551.db2.gz	BFOILYYABUVKQW-UHFFFAOYSA-N	-1	0	288.347	3.155	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC(C1CCC1)[C@H]1CCCO1	ZINC000872338510	634110289	/nfs/dbraw/zinc/11/02/89/634110289.db2.gz	RDYNKSHPYKSIKR-CQSZACIVSA-N	-1	0	288.347	3.132	20	30		CGEDRM
CC[C@@H](C)CCN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000834966885	634296892	/nfs/dbraw/zinc/29/68/92/634296892.db2.gz	PPFDSGCQGUVADT-SNVBAGLBSA-N	-1	0	264.325	3.227	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2C2CC2)cc1F	ZINC000835008627	634313412	/nfs/dbraw/zinc/31/34/12/634313412.db2.gz	IDFKPOWGIFPOOA-JTQLQIEISA-N	-1	0	262.284	3.112	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCCF)cn1	ZINC000835009848	634314271	/nfs/dbraw/zinc/31/42/71/634314271.db2.gz	FOLKWKRCHRHPII-SNVBAGLBSA-N	-1	0	279.315	3.098	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC(C(F)F)CC2)cn1	ZINC000835009747	634314274	/nfs/dbraw/zinc/31/42/74/634314274.db2.gz	BWBYEZYKEWYFEO-UHFFFAOYSA-N	-1	0	283.278	3.003	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])nc1)C1CCCC1	ZINC000835010138	634314403	/nfs/dbraw/zinc/31/44/03/634314403.db2.gz	PVDLBMFESXDTPB-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009683	634314561	/nfs/dbraw/zinc/31/45/61/634314561.db2.gz	YIIRDJOJWDXLTN-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	ZINC000837043662	634845711	/nfs/dbraw/zinc/84/57/11/634845711.db2.gz	DTJZAGWLANGRPD-ZDUSSCGKSA-N	-1	0	277.364	3.120	20	30		CGEDRM
C=CCO[N-]C(=O)CSc1cccc(C(F)(F)F)c1	ZINC000837043934	634846302	/nfs/dbraw/zinc/84/63/02/634846302.db2.gz	HINCPCDPIRJYEW-UHFFFAOYSA-N	-1	0	291.294	3.031	20	30		CGEDRM
CC[C@@H](C)[C@@H](CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844624310	635945468	/nfs/dbraw/zinc/94/54/68/635945468.db2.gz	VTPZFEMTIRHDTI-QMTHXVAHSA-N	-1	0	278.352	3.152	20	30		CGEDRM
Cc1c(N=NC2CCO[C@H](C(C)C)C2)cccc1C(=O)[O-]	ZINC000844623876	635945604	/nfs/dbraw/zinc/94/56/04/635945604.db2.gz	NTYXLIQTCNPFPK-HNNXBMFYSA-N	-1	0	290.363	3.296	20	30		CGEDRM
CO[C@]1(C)CC(N=Nc2cccc(C(=O)[O-])c2C)C1(C)C	ZINC000844625221	635946468	/nfs/dbraw/zinc/94/64/68/635946468.db2.gz	WJOPCUXFQJSTPD-MRXNPFEDSA-N	-1	0	290.363	3.296	20	30		CGEDRM
N#CC(C(=O)C1(F)CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835161	636105504	/nfs/dbraw/zinc/10/55/04/636105504.db2.gz	ZVRMBLYLBBFWOL-SNVBAGLBSA-N	-1	0	291.347	3.021	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)Sc1ccccc1	ZINC000846538105	636194825	/nfs/dbraw/zinc/19/48/25/636194825.db2.gz	FELZOHYIZBEADX-ZDUSSCGKSA-N	-1	0	265.378	3.181	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](c1ccccc1)[C@H](C)CC	ZINC000846539207	636196598	/nfs/dbraw/zinc/19/65/98/636196598.db2.gz	RFKZWDKOFYVNEJ-HIFRSBDPSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000846545267	636197557	/nfs/dbraw/zinc/19/75/57/636197557.db2.gz	VHGGIFBYOQGRMB-JTQLQIEISA-N	-1	0	283.755	3.120	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC(C)C)c1ccccc1	ZINC000846547955	636199264	/nfs/dbraw/zinc/19/92/64/636199264.db2.gz	RHBLHFUIRFGXSH-ZFWWWQNUSA-N	-1	0	261.365	3.439	20	30		CGEDRM
N#CC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCCC1	ZINC000849172268	636765067	/nfs/dbraw/zinc/76/50/67/636765067.db2.gz	OQNSCSZHBSZUKI-RQZCQDPDSA-N	-1	0	287.319	3.193	20	30		CGEDRM
CC[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1	ZINC000086054747	636779432	/nfs/dbraw/zinc/77/94/32/636779432.db2.gz	DKWBGSULLAORKU-AWEZNQCLSA-N	-1	0	295.404	3.409	20	30		CGEDRM
CC(C)c1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086055187	636781444	/nfs/dbraw/zinc/78/14/44/636781444.db2.gz	WHAWYQDIYIORDY-UHFFFAOYSA-N	-1	0	295.404	3.387	20	30		CGEDRM
C[C@@H]1CCCC(=NNc2cnnc([O-])c2Cl)CC1	ZINC000884408145	637022589	/nfs/dbraw/zinc/02/25/89/637022589.db2.gz	XPUWTXFBYTVHQB-MRVPVSSYSA-N	-1	0	268.748	3.204	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c([O-])c1	ZINC000219637620	637536335	/nfs/dbraw/zinc/53/63/35/637536335.db2.gz	JIEARLLHXIVDHC-WTKPLQERSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CC(C)(C/N=C\c1cc([N+](=O)[O-])ccc1[O-])CC(F)F	ZINC000887268065	637785625	/nfs/dbraw/zinc/78/56/25/637785625.db2.gz	AYCIAWSMYPNRIN-APSNUPSMSA-N	-1	0	286.278	3.401	20	30		CGEDRM
O=C([O-])c1cc(N=NC2COC3(CCC3)C2)ccc1Cl	ZINC000853257642	637796208	/nfs/dbraw/zinc/79/62/08/637796208.db2.gz	AEGHOVLVQUFBOG-UHFFFAOYSA-N	-1	0	294.738	3.149	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC(CF)(CF)C2)cc1F	ZINC000853354912	637823162	/nfs/dbraw/zinc/82/31/62/637823162.db2.gz	YKHMGYPRHOGGOY-UHFFFAOYSA-N	-1	0	286.253	3.011	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(Cl)cn2)CC[C@@H]1C(=O)[O-]	ZINC000853436322	637840852	/nfs/dbraw/zinc/84/08/52/637840852.db2.gz	XIBOLOXOXNFAKW-KWQFWETISA-N	-1	0	281.743	3.024	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1F	ZINC000853438339	637842784	/nfs/dbraw/zinc/84/27/84/637842784.db2.gz	XXCYZXAVWVONMC-MNOVXSKESA-N	-1	0	278.327	3.423	20	30		CGEDRM
C#CCO[N-]C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1	ZINC000855606000	638221851	/nfs/dbraw/zinc/22/18/51/638221851.db2.gz	DZEANQVRFKQQRT-AWEZNQCLSA-N	-1	0	279.767	3.151	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1	ZINC000935108869	639751009	/nfs/dbraw/zinc/75/10/09/639751009.db2.gz	QPUFRWITXOKQQH-RWMBFGLXSA-N	-1	0	270.332	3.029	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)c(C)c1	ZINC000046930113	639999451	/nfs/dbraw/zinc/99/94/51/639999451.db2.gz	OWVGMEKTZSQMQB-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccc(F)c2)n1	ZINC000047358357	640011531	/nfs/dbraw/zinc/01/15/31/640011531.db2.gz	RVEVJAAMLCULRD-GFUIURDCSA-N	-1	0	286.331	3.480	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2C#N)n1	ZINC000048786636	640069999	/nfs/dbraw/zinc/06/99/99/640069999.db2.gz	XGWOJGSIOVSSAG-UZYOAWRESA-N	-1	0	293.351	3.213	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1	ZINC000077879663	640265772	/nfs/dbraw/zinc/26/57/72/640265772.db2.gz	ICJCBONYIPTISJ-LBPRGKRZSA-N	-1	0	289.356	3.082	20	30		CGEDRM
Cn1cc(C=CC(=O)c2sccc2[O-])c(C(C)(C)C)n1	ZINC000193148517	640435923	/nfs/dbraw/zinc/43/59/23/640435923.db2.gz	QDNNKXLWGJFJEQ-AATRIKPKSA-N	-1	0	290.388	3.381	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1	ZINC000195761736	640595331	/nfs/dbraw/zinc/59/53/31/640595331.db2.gz	IXFBXEVPPAJVKN-WTKPLQERSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000089967924	640665366	/nfs/dbraw/zinc/66/53/66/640665366.db2.gz	GDZITUARBDNQNE-CLTKARDFSA-N	-1	0	291.731	3.091	20	30		CGEDRM
C=C[C@H](Sc1ccccc1Br)C(=O)[O-]	ZINC000300814303	963033790	/nfs/dbraw/zinc/03/37/90/963033790.db2.gz	AUXYVHRNFUSDGJ-QMMMGPOBSA-N	-1	0	273.151	3.180	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1	ZINC001250463798	805632406	/nfs/dbraw/zinc/63/24/06/805632406.db2.gz	LQNNOWFIDRZRCA-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
C/C(=C/C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000255427965	799171443	/nfs/dbraw/zinc/17/14/43/799171443.db2.gz	CSRQMFJOMZWJQA-XFXZXTDPSA-N	-1	0	278.311	3.306	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000316533271	799242476	/nfs/dbraw/zinc/24/24/76/799242476.db2.gz	WPHDOSSZYRFGSR-NSHDSACASA-N	-1	0	296.754	3.189	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000398931208	799533248	/nfs/dbraw/zinc/53/32/48/799533248.db2.gz	SRWNNBOAEFKIBN-KBPBESRZSA-N	-1	0	283.412	3.306	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccccc2[O-])c1F	ZINC000588618978	799722448	/nfs/dbraw/zinc/72/24/48/799722448.db2.gz	DXGRNPKLFUBORB-KTKRTIGZSA-N	-1	0	272.275	3.436	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1F	ZINC001116373996	802338277	/nfs/dbraw/zinc/33/82/77/802338277.db2.gz	PVEJLUAWURQTJV-CLTKARDFSA-N	-1	0	288.274	3.142	20	30		CGEDRM
N#CC(=C([O-])c1cccnc1C1CC1)c1ncc(F)cc1F	ZINC001123382553	802939277	/nfs/dbraw/zinc/93/92/77/802939277.db2.gz	UKVLOVPANSZCGJ-LBPRGKRZSA-N	-1	0	299.280	3.122	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cc(F)c([O-])c(F)c3)nc2c1	ZINC001244091695	803181028	/nfs/dbraw/zinc/18/10/28/803181028.db2.gz	IWOVQOMJBYPXTF-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(CCC(=O)[O-])cc1)CCC2	ZINC001244188698	803233486	/nfs/dbraw/zinc/23/34/86/803233486.db2.gz	MTRDELNJLAZSRV-UHFFFAOYSA-N	-1	0	292.338	3.126	20	30		CGEDRM
CSc1ncc(C#N)c(-c2ccc(Cl)cc2[O-])n1	ZINC001244467138	803384791	/nfs/dbraw/zinc/38/47/91/803384791.db2.gz	CAMFBWFYWBIUTJ-UHFFFAOYSA-N	-1	0	277.736	3.096	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244501771	803407160	/nfs/dbraw/zinc/40/71/60/803407160.db2.gz	VVZJQKMLVHSCRG-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#CCc1cncc(-c2cc(F)c([O-])c(Cl)c2)c1	ZINC001244501691	803407586	/nfs/dbraw/zinc/40/75/86/803407586.db2.gz	CPHBCROXDHXLHG-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1nnc(-c2c(F)c([O-])ccc2Cl)c(C#N)c1C	ZINC001244537304	803423601	/nfs/dbraw/zinc/42/36/01/803423601.db2.gz	BOHMEGBFPLEXRX-UHFFFAOYSA-N	-1	0	277.686	3.130	20	30		CGEDRM
N#Cc1cnc(-c2c(Cl)ccc([O-])c2F)c(F)c1	ZINC001244537544	803425581	/nfs/dbraw/zinc/42/55/81/803425581.db2.gz	AKRMPUDHJKRKTP-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
COc1nc(-c2ccc(Cl)c([O-])c2F)c(F)cc1C#N	ZINC001244631014	803473989	/nfs/dbraw/zinc/47/39/89/803473989.db2.gz	PVNYYQQLUWUUQK-UHFFFAOYSA-N	-1	0	296.660	3.266	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1ccc(Cl)c([O-])c1F	ZINC001244631411	803473993	/nfs/dbraw/zinc/47/39/93/803473993.db2.gz	XZEZJBULYCMYKX-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
C[C@@H](C#N)c1ccc(-c2cnc(F)c(C(=O)[O-])c2)cc1	ZINC001244756751	803521357	/nfs/dbraw/zinc/52/13/57/803521357.db2.gz	NOYQSJUUJRAGFF-VIFPVBQESA-N	-1	0	270.263	3.213	20	30		CGEDRM
C=C(C)c1ccc(-c2cc(C(=O)[O-])cnc2F)nc1	ZINC001244758322	803521920	/nfs/dbraw/zinc/52/19/20/803521920.db2.gz	KUNSTCXUSNTCEO-UHFFFAOYSA-N	-1	0	258.252	3.014	20	30		CGEDRM
Cc1cc(-c2nc3c(cc2C#N)CCC3)cc(C)c1C(=O)[O-]	ZINC001244944833	803585768	/nfs/dbraw/zinc/58/57/68/803585768.db2.gz	NARQHSLGDVHMCG-UHFFFAOYSA-N	-1	0	292.338	3.424	20	30		CGEDRM
C=CCNC(=O)c1cccnc1-c1cc(Cl)ccc1[O-]	ZINC001245050370	803621901	/nfs/dbraw/zinc/62/19/01/803621901.db2.gz	TWJSHNZMBXGUBX-UHFFFAOYSA-N	-1	0	288.734	3.023	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1nc2c(cc1C#N)CCC2	ZINC001245299073	803694560	/nfs/dbraw/zinc/69/45/60/803694560.db2.gz	CHUULZWTDNTVHO-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
N#CCc1ccc(-c2cc(Cl)c([O-])cc2F)cn1	ZINC001245672607	803902379	/nfs/dbraw/zinc/90/23/79/803902379.db2.gz	XLBGZTFQOZZUEB-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3cc(F)ccc3F)cc2=O)cc1	ZINC001245930879	804058051	/nfs/dbraw/zinc/05/80/51/804058051.db2.gz	XLXYOCATJDPMQO-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
CC(C)(C)Cc1cc(=O)n(-c2ccccc2C#N)[n-]1	ZINC001245932437	804061265	/nfs/dbraw/zinc/06/12/65/804061265.db2.gz	NUNMEBDULVAHRH-UHFFFAOYSA-N	-1	0	255.321	3.038	20	30		CGEDRM
C[C@H](C#N)N(C)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140836329	804531815	/nfs/dbraw/zinc/53/18/15/804531815.db2.gz	WIBLKKHNSSAKJB-SSDOTTSWSA-N	-1	0	259.136	3.043	20	30		CGEDRM
Cc1c(Cl)cc(NC(=O)CCS)c([O-])c1Cl	ZINC001143985798	804919479	/nfs/dbraw/zinc/91/94/79/804919479.db2.gz	VQNXDFOMVAEICT-UHFFFAOYSA-N	-1	0	280.176	3.266	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212514355	815046303	/nfs/dbraw/zinc/04/63/03/815046303.db2.gz	OKARIPASDAGOJW-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c(C#N)c2)cn1	ZINC001147804243	805151191	/nfs/dbraw/zinc/15/11/91/805151191.db2.gz	FDXQQDFGLPDLPI-UHFFFAOYSA-N	-1	0	295.342	3.209	20	30		CGEDRM
C#C[C@@H]1CCCN(C(=S)[N-]c2ccccc2SC)C1	ZINC001249697332	805217394	/nfs/dbraw/zinc/21/73/94/805217394.db2.gz	CCPZAURSQRVTTD-GFCCVEGCSA-N	-1	0	290.457	3.451	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CC[C@@](C)(C#N)C1	ZINC001249699874	805218771	/nfs/dbraw/zinc/21/87/71/805218771.db2.gz	NTBDDCDCJCPADQ-AWEZNQCLSA-N	-1	0	291.445	3.341	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cccc([O-])c1F	ZINC001212549375	815063402	/nfs/dbraw/zinc/06/34/02/815063402.db2.gz	JXDDNTOWVAYENS-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
Cc1ccc(Cc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC001250048607	805388211	/nfs/dbraw/zinc/38/82/11/805388211.db2.gz	FBYYXDKSXYOREI-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
Cc1nsc(Nc2ccc(Cl)c([O-])c2)c1C#N	ZINC001212588557	815077988	/nfs/dbraw/zinc/07/79/88/815077988.db2.gz	UGIYTJXGEXVMCQ-UHFFFAOYSA-N	-1	0	265.725	3.426	20	30		CGEDRM
CC(C)[C@@H](C#N)c1ccc(NCc2cc(=O)[n-]o2)cc1	ZINC001169493089	807652606	/nfs/dbraw/zinc/65/26/06/807652606.db2.gz	SISLQFLSXIKEKM-CQSZACIVSA-N	-1	0	271.320	3.255	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(CC(=O)[O-])cc2)cc1F	ZINC001174952490	809212743	/nfs/dbraw/zinc/21/27/43/809212743.db2.gz	SENGYHSJXJRJRG-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC001174985000	809227530	/nfs/dbraw/zinc/22/75/30/809227530.db2.gz	YRWVUVZFPPOQFV-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
CCOc1ccc(F)c([N-]c2onc(C)c2C#N)c1F	ZINC001175040525	809249097	/nfs/dbraw/zinc/24/90/97/809249097.db2.gz	LTUUTTMXYGNILV-UHFFFAOYSA-N	-1	0	279.246	3.275	20	30		CGEDRM
Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001175157358	809291355	/nfs/dbraw/zinc/29/13/55/809291355.db2.gz	QJDCEUNIDJDXCX-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1c(Cl)c(C#N)ccc1Nc1cncc(C(=O)[O-])c1	ZINC001175842884	809554310	/nfs/dbraw/zinc/55/43/10/809554310.db2.gz	SKGJKPBSHFTNTA-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1ccc(C(C)(C)C(=O)[N-]Oc2cccc(C#N)c2)cc1	ZINC001302371997	809593340	/nfs/dbraw/zinc/59/33/40/809593340.db2.gz	SCDHGODHNSNOKA-UHFFFAOYSA-N	-1	0	294.354	3.255	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(OC)cc(C(=O)[O-])c1	ZINC001213595257	815307816	/nfs/dbraw/zinc/30/78/16/815307816.db2.gz	VRLGUIMTRSXGQN-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
Cc1nsc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001176582262	809723644	/nfs/dbraw/zinc/72/36/44/809723644.db2.gz	LVCZDUUNFHYVDN-UHFFFAOYSA-N	-1	0	299.355	3.183	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176592036	809725722	/nfs/dbraw/zinc/72/57/22/809725722.db2.gz	UQXOZKCRTJGLJM-ZZXKWVIFSA-N	-1	0	270.313	3.461	20	30		CGEDRM
N#Cc1sccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176664654	809738096	/nfs/dbraw/zinc/73/80/96/809738096.db2.gz	TXMPYGVKCXKQHD-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1[S-]	ZINC001183607386	810155218	/nfs/dbraw/zinc/15/52/18/810155218.db2.gz	CDKSRFNUWJXGMI-GFCCVEGCSA-N	-1	0	298.367	3.002	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1cccc2cc[nH]c21	ZINC001184245374	810185004	/nfs/dbraw/zinc/18/50/04/810185004.db2.gz	ORSZOLOYCUJHIT-UHFFFAOYSA-N	-1	0	279.319	3.156	20	30		CGEDRM
CCCCN(O)C(=O)CCn1c2ccccc2nc1CC	ZINC001184314790	810190646	/nfs/dbraw/zinc/19/06/46/810190646.db2.gz	KWOYYXVIGVYEEG-UHFFFAOYSA-N	-1	0	289.379	3.007	20	30		CGEDRM
N#Cc1oc2ccccc2c1[N-]C(=O)c1cnc(C2CC2)o1	ZINC001185197002	810244083	/nfs/dbraw/zinc/24/40/83/810244083.db2.gz	PJKAIIOSTWHGTD-UHFFFAOYSA-N	-1	0	293.282	3.422	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2ccc3c(c2)CCC3)c1	ZINC001185763197	810291337	/nfs/dbraw/zinc/29/13/37/810291337.db2.gz	JRDMFGOYEGNVQM-UHFFFAOYSA-N	-1	0	293.326	3.397	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)CC1	ZINC001190814003	810649714	/nfs/dbraw/zinc/64/97/14/810649714.db2.gz	WBYLGDFRFYVIKN-UHFFFAOYSA-N	-1	0	296.779	3.062	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cccc3ccoc32)CC1	ZINC001190814789	810650981	/nfs/dbraw/zinc/65/09/81/810650981.db2.gz	ONOKSGOUEJETFG-UHFFFAOYSA-N	-1	0	277.345	3.283	20	30		CGEDRM
N#Cc1cccc(Cl)c1[N-]S(=O)(=O)CC1CCCC1	ZINC001191526648	810723729	/nfs/dbraw/zinc/72/37/29/810723729.db2.gz	JIFBMUHISBNTJD-UHFFFAOYSA-N	-1	0	298.795	3.144	20	30		CGEDRM
CCc1cccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001192974917	810837973	/nfs/dbraw/zinc/83/79/73/810837973.db2.gz	VGLMCNHHFDFJKD-UHFFFAOYSA-N	-1	0	284.290	3.218	20	30		CGEDRM
CCC(CC)COC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001194709748	811113518	/nfs/dbraw/zinc/11/35/18/811113518.db2.gz	XHVMWYWJAUNMGD-UHFFFAOYSA-N	-1	0	280.299	3.388	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc3c(c2)CCC3)ccc1O	ZINC001198775335	811542489	/nfs/dbraw/zinc/54/24/89/811542489.db2.gz	PZXIVXNOOKQBFI-UHFFFAOYSA-N	-1	0	278.311	3.005	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccsc1C(=O)[O-]	ZINC001215391963	815515120	/nfs/dbraw/zinc/51/51/20/815515120.db2.gz	POXPJTURCLEWGB-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])c(F)c1F	ZINC001215395185	815515919	/nfs/dbraw/zinc/51/59/19/815515919.db2.gz	GPDDKADFQSPECB-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203330516	812313427	/nfs/dbraw/zinc/31/34/27/812313427.db2.gz	XHIMGSVFTXVFPZ-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001215465854	815521401	/nfs/dbraw/zinc/52/14/01/815521401.db2.gz	CLCPOUQNTADOPV-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001215463892	815521637	/nfs/dbraw/zinc/52/16/37/815521637.db2.gz	UKIXLSRLXLKMST-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cc(F)c([O-])cc1F	ZINC001206775763	813434684	/nfs/dbraw/zinc/43/46/84/813434684.db2.gz	JZHYGOWDRVGADD-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1cnc(Nc2cc(F)cc(C(=O)[O-])c2)c(Cl)c1	ZINC001209884739	814187661	/nfs/dbraw/zinc/18/76/61/814187661.db2.gz	BVWHTSSPWBEPBF-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001209888336	814188539	/nfs/dbraw/zinc/18/85/39/814188539.db2.gz	BKTSHNHGLANHCN-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ccc(Nc2ccsc2C#N)cc1C(=O)[O-]	ZINC001209899560	814192602	/nfs/dbraw/zinc/19/26/02/814192602.db2.gz	UKPUUUPTVPDLHQ-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(Nc2ccc(C)c(C#N)c2)cc1C(=O)[O-]	ZINC001209902884	814194140	/nfs/dbraw/zinc/19/41/40/814194140.db2.gz	KMKMONPMRVQHME-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CC1(C)CC(=O)C=C(Nc2scc([O-])c2C#N)C1	ZINC001210148930	814310943	/nfs/dbraw/zinc/31/09/43/814310943.db2.gz	DQNVMLCWQVDVTD-UHFFFAOYSA-N	-1	0	262.334	3.010	20	30		CGEDRM
CC1(C)CC(=O)C=C(Nc2cc([O-])c(F)c(F)c2)C1	ZINC001210153015	814314067	/nfs/dbraw/zinc/31/40/67/814314067.db2.gz	HPAVZZWUPIGYFF-UHFFFAOYSA-N	-1	0	267.275	3.355	20	30		CGEDRM
N#Cc1oc2ccccc2c1Nc1ccc(C(=O)[O-])nc1	ZINC001210171147	814320327	/nfs/dbraw/zinc/32/03/27/814320327.db2.gz	CTSKGHHIAWHOKX-UHFFFAOYSA-N	-1	0	279.255	3.141	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccnc1C(F)(F)F	ZINC001210232559	814356431	/nfs/dbraw/zinc/35/64/31/814356431.db2.gz	YOBJUIDNACHBKD-UHFFFAOYSA-N	-1	0	285.250	3.483	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1ccccc1C(=O)[O-]	ZINC001210969821	814696376	/nfs/dbraw/zinc/69/63/76/814696376.db2.gz	WDKSAJHMLMGQNC-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
COc1c(Nc2ccc(C#N)c(C)c2)cccc1C(=O)[O-]	ZINC001211036811	814713878	/nfs/dbraw/zinc/71/38/78/814713878.db2.gz	KMHZRCJPWUPBTC-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1c(Nc2cccc(F)c2C#N)cccc1C(=O)[O-]	ZINC001211036264	814714453	/nfs/dbraw/zinc/71/44/53/814714453.db2.gz	DGRZTYNBHYPXFG-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(Nc2c(O)cccc2C#N)cc(C(=O)[O-])c1	ZINC001211547792	814905712	/nfs/dbraw/zinc/90/57/12/814905712.db2.gz	XUHJQWLBPCDSKE-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1C(C)C	ZINC001211618954	814918916	/nfs/dbraw/zinc/91/89/16/814918916.db2.gz	ZERVLQFTABZVPF-UHFFFAOYSA-N	-1	0	284.319	3.086	20	30		CGEDRM
Cc1c(C#N)cccc1Nc1scc([O-])c1C#N	ZINC001216174509	815719848	/nfs/dbraw/zinc/71/98/48/815719848.db2.gz	LTRJKAHBARPEQX-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
N#Cc1ccnc(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242850059	823152125	/nfs/dbraw/zinc/15/21/25/823152125.db2.gz	ZPFVERGMRPUIIG-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(O)cc1Cl	ZINC001216427250	815825670	/nfs/dbraw/zinc/82/56/70/815825670.db2.gz	ZATYWVICTBEEJJ-UHFFFAOYSA-N	-1	0	266.709	3.428	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3c([O-])ccc(F)c3F)n2)c1	ZINC001216928698	815902040	/nfs/dbraw/zinc/90/20/40/815902040.db2.gz	GEGGBARACSTBOW-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)c([O-])c1	ZINC001217038951	815907408	/nfs/dbraw/zinc/90/74/08/815907408.db2.gz	LSXLCUZZJHCMAA-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
Cc1cc(F)ccc1-c1noc(-c2ccc(C#N)cc2[O-])n1	ZINC001217040430	815907761	/nfs/dbraw/zinc/90/77/61/815907761.db2.gz	VOVSFRMCMCWXNA-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
COC(=O)c1cc(-c2cccc([S-])c2)ccc1C#N	ZINC001242868374	823159511	/nfs/dbraw/zinc/15/95/11/823159511.db2.gz	QMCVUZZDDUNMNY-UHFFFAOYSA-N	-1	0	269.325	3.301	20	30		CGEDRM
N#Cc1c(F)cccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222403868	816435453	/nfs/dbraw/zinc/43/54/53/816435453.db2.gz	YXJMROHBQATRTM-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCCC[C@@H]2F)c1	ZINC001223891922	816698647	/nfs/dbraw/zinc/69/86/47/816698647.db2.gz	WADIFLNYOKYFHV-PLOGBLAWSA-N	-1	0	297.326	3.137	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H](C)c2ccco2)c1	ZINC001223891001	816698760	/nfs/dbraw/zinc/69/87/60/816698760.db2.gz	BBODONBSPZATSD-JRELAMLQSA-N	-1	0	291.303	3.210	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCCC[C@@H]2C)c1	ZINC001223891777	816699014	/nfs/dbraw/zinc/69/90/14/816699014.db2.gz	TXNRGZONPFDUDE-MSQIWNHYSA-N	-1	0	293.363	3.435	20	30		CGEDRM
C#C[C@H](CCCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891273	816699306	/nfs/dbraw/zinc/69/93/06/816699306.db2.gz	GYTTVHVXNAAAGC-WGKGOADCSA-N	-1	0	291.347	3.048	20	30		CGEDRM
C[C@@H](Oc1c(F)c(F)c([O-])c(F)c1F)[C@H](C)S	ZINC001225885280	817205893	/nfs/dbraw/zinc/20/58/93/817205893.db2.gz	LAXBLSZNRDVPAM-DMTCNVIQSA-N	-1	0	270.247	3.034	20	30		CGEDRM
C[C@@H]1CCC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)[C@H]1C	ZINC001226008628	817246654	/nfs/dbraw/zinc/24/66/54/817246654.db2.gz	KXULAHXMLHXDKC-PTRXPTGYSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226066152	817262171	/nfs/dbraw/zinc/26/21/71/817262171.db2.gz	YUVGXGQRRUNYMH-ZETCQYMHSA-N	-1	0	272.226	3.021	20	30		CGEDRM
O/N=C/c1ccnc(O[C@H]2CCc3cc(Cl)ccc32)n1	ZINC001226256617	817312246	/nfs/dbraw/zinc/31/22/46/817312246.db2.gz	UOIWHSDZZNGVPY-TVYFDWKESA-N	-1	0	289.722	3.004	20	30		CGEDRM
C[C@@H](Oc1ncc(Br)cc1C#N)C1=CC=C[CH]1	ZINC001226282929	817319041	/nfs/dbraw/zinc/31/90/41/817319041.db2.gz	LXYCIHFGUJMNEV-SECBINFHSA-N	-1	0	290.140	3.184	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C#N)cc(C#N)c2)c1	ZINC001243178170	823275244	/nfs/dbraw/zinc/27/52/44/823275244.db2.gz	OULIWQHWGNBVBH-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cc(C)cc(C(=O)[O-])c1	ZINC001243181790	823277396	/nfs/dbraw/zinc/27/73/96/823277396.db2.gz	FDACTVIPAPULME-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cccc(CC#N)c2)c1	ZINC001243182179	823277971	/nfs/dbraw/zinc/27/79/71/823277971.db2.gz	KZRSMLIMQBPCHG-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(C)c(C(=O)[O-])c2)c(C#N)c1	ZINC001243194383	823284346	/nfs/dbraw/zinc/28/43/46/823284346.db2.gz	HJHGNXJQAFETON-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1ccc(-c2ccc(C3(C#N)CC3)cn2)cc1C(=O)[O-]	ZINC001243195527	823285212	/nfs/dbraw/zinc/28/52/12/823285212.db2.gz	LYAPHPTZZHWHDC-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227989504	817775387	/nfs/dbraw/zinc/77/53/87/817775387.db2.gz	NPDCBHCDXLMMMJ-VIFPVBQESA-N	-1	0	264.712	3.332	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])cc1C	ZINC001243204019	823289915	/nfs/dbraw/zinc/28/99/15/823289915.db2.gz	XBLPQMCSGDVOKY-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C[C@H](CS)Oc1cc(-c2ccccc2)nc(=S)[nH]1	ZINC001228347649	817883646	/nfs/dbraw/zinc/88/36/46/817883646.db2.gz	UDYRXXVGNJDRMS-SECBINFHSA-N	-1	0	278.402	3.129	20	30		CGEDRM
C=CCOC(=O)c1ccc(O[C@H](C)C2=CC=C[CH]2)cc1	ZINC001231302924	818072514	/nfs/dbraw/zinc/07/25/14/818072514.db2.gz	ONYGZPPTESKFLC-CYBMUJFWSA-N	-1	0	269.320	3.497	20	30		CGEDRM
N#C[C@@H]1CCCN1Cc1ccc(Cl)c([O-])c1Cl	ZINC001232623748	818403913	/nfs/dbraw/zinc/40/39/13/818403913.db2.gz	FRNIUTZHXIFGRT-VIFPVBQESA-N	-1	0	271.147	3.187	20	30		CGEDRM
C=CC(C=C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	ZINC001233501173	818629134	/nfs/dbraw/zinc/62/91/34/818629134.db2.gz	XEPJJSCHTBGKQY-UHFFFAOYSA-N	-1	0	279.683	3.244	20	30		CGEDRM
N#C[C@H](Oc1ccccc1C=N[O-])c1cccc(F)c1	ZINC001234818726	818925910	/nfs/dbraw/zinc/92/59/10/818925910.db2.gz	DBVUOXXAVQTVOZ-HNNXBMFYSA-N	-1	0	270.263	3.277	20	30		CGEDRM
N#CCOc1ccccc1-c1c(F)cc(F)c([O-])c1F	ZINC001235997527	819265577	/nfs/dbraw/zinc/26/55/77/819265577.db2.gz	PKYSOYZTMNHUIU-UHFFFAOYSA-N	-1	0	279.217	3.379	20	30		CGEDRM
Cc1cnc(-c2ccc(Cl)c(C(=O)[O-])c2F)cc1C#N	ZINC001236150793	819347952	/nfs/dbraw/zinc/34/79/52/819347952.db2.gz	KVJOBXGXZJYNQP-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cc(F)cc(F)c1[O-]	ZINC001243499703	823420652	/nfs/dbraw/zinc/42/06/52/823420652.db2.gz	COKIJSINGMCGPQ-UHFFFAOYSA-N	-1	0	287.269	3.268	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239257241	820242794	/nfs/dbraw/zinc/24/27/94/820242794.db2.gz	WXAKTRSQLAVDSM-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
COc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001239353564	820287275	/nfs/dbraw/zinc/28/72/75/820287275.db2.gz	YDDUAWDANLGXNH-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C2(C#N)CC2)ccn1	ZINC001240735597	821287637	/nfs/dbraw/zinc/28/76/37/821287637.db2.gz	SXIKAIWSCPXLLU-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1nc(C)c(C)c(C)c1C#N	ZINC001240734982	821288320	/nfs/dbraw/zinc/28/83/20/821288320.db2.gz	IARBZIUBSWNSMS-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
C=C(C)c1ccc(-c2ccc(C(=O)[O-])c(OC)c2)nc1	ZINC001240741503	821293491	/nfs/dbraw/zinc/29/34/91/821293491.db2.gz	MYDGORAOVIGBLT-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
COc1cc(-c2cc(C)c(C#N)c(F)c2)ccc1C(=O)[O-]	ZINC001240745294	821296039	/nfs/dbraw/zinc/29/60/39/821296039.db2.gz	ZDIUKZRVXRRYOY-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccc(C(=O)[O-])s1	ZINC001240844876	821364761	/nfs/dbraw/zinc/36/47/61/821364761.db2.gz	ZSAGMLFGKKULAF-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(CC(=O)[O-])cc1	ZINC001240973533	821456962	/nfs/dbraw/zinc/45/69/62/821456962.db2.gz	KYOYPENHWFCRRF-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(CC(=O)[O-])cc1)CCCC2	ZINC001240972521	821457593	/nfs/dbraw/zinc/45/75/93/821457593.db2.gz	HKQRSCYXEVCXTC-UHFFFAOYSA-N	-1	0	292.338	3.126	20	30		CGEDRM
N#CCc1cc(-c2ccc(CC(=O)[O-])cc2)ccc1F	ZINC001240975423	821459293	/nfs/dbraw/zinc/45/92/93/821459293.db2.gz	OAGAIHUWLMLWKP-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
O=c1[nH]cccc1-c1cc(C=N[O-])cc(C(F)(F)F)c1	ZINC001241120047	821575408	/nfs/dbraw/zinc/57/54/08/821575408.db2.gz	WTCPVUFKHUOLHQ-CNHKJKLMSA-N	-1	0	282.221	3.281	20	30		CGEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241347730	821750866	/nfs/dbraw/zinc/75/08/66/821750866.db2.gz	IPNXAQPPTMIPCA-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ccn1	ZINC001241350612	821753302	/nfs/dbraw/zinc/75/33/02/821753302.db2.gz	QIVMHPYAUGZALH-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)cc(C(=O)[O-])c1)CCCC2	ZINC001241823083	822163821	/nfs/dbraw/zinc/16/38/21/822163821.db2.gz	CCLNEOFTCIQDFS-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
COc1ccc(-c2ccc(CC#N)c(F)c2)cc1C(=O)[O-]	ZINC001241868597	822186898	/nfs/dbraw/zinc/18/68/98/822186898.db2.gz	IGDURDKYXBBQBJ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1nccc(C#N)c1C	ZINC001242205219	822909482	/nfs/dbraw/zinc/90/94/82/822909482.db2.gz	OTBSBAYMXMBYNW-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
O=C([O-])c1cccc(-c2cc(/C=N/O)ccc2F)c1F	ZINC001242379868	822974611	/nfs/dbraw/zinc/97/46/11/822974611.db2.gz	QMWZOISCIOEBDP-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cccc(C(=O)[O-])c2F)c1F	ZINC001242381662	822975209	/nfs/dbraw/zinc/97/52/09/822975209.db2.gz	XSWVZPXAIRWZBR-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1nc(C)c(C)c(C)c1C#N	ZINC001242389951	822978701	/nfs/dbraw/zinc/97/87/01/822978701.db2.gz	PUOAOMMSBMZFPH-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
N#Cc1cc(-c2ncc3ccc(F)cc3n2)ccc1[O-]	ZINC001242562191	823032792	/nfs/dbraw/zinc/03/27/92/823032792.db2.gz	KSNDANGNYRFZRK-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1cc(-c2c(F)c(F)c(C#N)c(F)c2F)ccc1[O-]	ZINC001242565807	823036267	/nfs/dbraw/zinc/03/62/67/823036267.db2.gz	SXQYIFAQJBROEH-UHFFFAOYSA-N	-1	0	292.191	3.359	20	30		CGEDRM
C=C1CCC(C(=O)N2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)CC1	ZINC001346371620	936847052	/nfs/dbraw/zinc/84/70/52/936847052.db2.gz	TXJWUYDSLKRKQR-SFDCQRBFSA-N	-1	0	293.407	3.079	20	30		CGEDRM
N#CC(=C([O-])c1ccnc(C2CC2)c1)c1ncc(F)cc1F	ZINC001346762835	936860837	/nfs/dbraw/zinc/86/08/37/936860837.db2.gz	HGRVFVCVCAKAQX-GFCCVEGCSA-N	-1	0	299.280	3.122	20	30		CGEDRM
CC(C)(C)c1nc([N-]c2cccc(C#N)c2F)no1	ZINC001216412873	932018957	/nfs/dbraw/zinc/01/89/57/932018957.db2.gz	WYRJAQIXUSSDSE-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(Cl)c1	ZINC001228900336	932047510	/nfs/dbraw/zinc/04/75/10/932047510.db2.gz	FDLMAKJLACISIV-SECBINFHSA-N	-1	0	274.707	3.452	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1F	ZINC001228901526	932047548	/nfs/dbraw/zinc/04/75/48/932047548.db2.gz	MEFUPQRLSARPLM-ZDUSSCGKSA-N	-1	0	272.279	3.328	20	30		CGEDRM
C[C@@H](CCc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228900286	932048387	/nfs/dbraw/zinc/04/83/87/932048387.db2.gz	DKCSINVGQBJPPN-LBPRGKRZSA-N	-1	0	268.316	3.059	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccc(F)c(F)c1	ZINC001228903177	932049339	/nfs/dbraw/zinc/04/93/39/932049339.db2.gz	VSVBXKZPPAKWJB-QMMMGPOBSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228912356	932050541	/nfs/dbraw/zinc/05/05/41/932050541.db2.gz	KPOGDBVCRJNTAG-MRVPVSSYSA-N	-1	0	264.712	3.332	20	30		CGEDRM
Cc1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C#N)c1ccccc1	ZINC001230887648	932636512	/nfs/dbraw/zinc/63/65/12/932636512.db2.gz	BQKCHGHDXDISPE-HNNXBMFYSA-N	-1	0	291.310	3.288	20	30		CGEDRM
CCC1=C(Oc2cccc3oc(=S)[n-]c32)C(=O)[C@@H](C)O1	ZINC001231065548	932670102	/nfs/dbraw/zinc/67/01/02/932670102.db2.gz	NQNSVXKJBBATNJ-SSDOTTSWSA-N	-1	0	291.328	3.105	20	30		CGEDRM
Cc1cc(-c2cc(Cl)cc(C#N)c2)cnc1C(=O)[O-]	ZINC001242570198	932704253	/nfs/dbraw/zinc/70/42/53/932704253.db2.gz	GYWPPZLFSGNXFA-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1cc(OCc2cccc(C(=O)[O-])c2)ccc1C#N	ZINC001600291716	970794180	/nfs/dbraw/zinc/79/41/80/970794180.db2.gz	RDGCWXVTRSDLIF-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
C=C1CCC(CNC(=O)Nc2cccc(C(=O)[O-])c2)CC1	ZINC001602713249	971361943	/nfs/dbraw/zinc/36/19/43/971361943.db2.gz	VAUNPDGNMYOVLC-UHFFFAOYSA-N	-1	0	288.347	3.253	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1	ZINC000048518107	957681334	/nfs/dbraw/zinc/68/13/34/957681334.db2.gz	QYLZRLZSCUEMLK-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
CCCCCCCCCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000116580811	958461271	/nfs/dbraw/zinc/46/12/71/958461271.db2.gz	CKWYSZOUXODPTB-KGLIPLIRSA-N	-1	0	283.412	3.497	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)s1	ZINC001597626658	960540112	/nfs/dbraw/zinc/54/01/12/960540112.db2.gz	YIXJWJNUDHSKPA-ONEGZZNKSA-N	-1	0	293.369	3.361	20	30		CGEDRM
C#Cc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(Cl)c1	ZINC001573327610	962238626	/nfs/dbraw/zinc/23/86/26/962238626.db2.gz	SBSVITOJCXBYTA-GFCCVEGCSA-N	-1	0	293.750	3.007	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001573328623	962239970	/nfs/dbraw/zinc/23/99/70/962239970.db2.gz	KUNLUDJCPIEWQW-ZDUSSCGKSA-N	-1	0	281.396	3.273	20	30		CGEDRM
N#Cc1cnc(Oc2cc(C(=O)[O-])ccc2F)c(Cl)c1	ZINC001574493701	962314778	/nfs/dbraw/zinc/31/47/78/962314778.db2.gz	PJNATSADGFCQCG-UHFFFAOYSA-N	-1	0	292.653	3.236	20	30		CGEDRM
C=CCCCCCCCNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588457692	962762543	/nfs/dbraw/zinc/76/25/43/962762543.db2.gz	AQYPIESTYJACJR-UHFFFAOYSA-N	-1	0	279.380	3.050	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)C[C@H]1c1ccco1	ZINC001573333186	962853599	/nfs/dbraw/zinc/85/35/99/962853599.db2.gz	XPNAICRJVFVURG-AAEUAGOBSA-N	-1	0	291.347	3.000	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001573348698	962960302	/nfs/dbraw/zinc/96/03/02/962960302.db2.gz	ZPSQOEARPMLUCH-KRWDZBQOSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=CCCCCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001573365439	963054024	/nfs/dbraw/zinc/05/40/24/963054024.db2.gz	GOWPKUTYQBMTPV-UHFFFAOYSA-N	-1	0	292.335	3.476	20	30		CGEDRM
C=CCCCCC[C@@H](C)Nc1cnn(CC(=O)[O-])c1C	ZINC001573367673	963068351	/nfs/dbraw/zinc/06/83/51/963068351.db2.gz	ZPTMYRVZJQBNHE-GFCCVEGCSA-N	-1	0	279.384	3.213	20	30		CGEDRM
C#C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1	ZINC001588375700	963268047	/nfs/dbraw/zinc/26/80/47/963268047.db2.gz	GEUHADONSGBFDZ-VIFPVBQESA-N	-1	0	292.747	3.281	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC001588529585	963275862	/nfs/dbraw/zinc/27/58/62/963275862.db2.gz	ABLFBYSIQFOMFW-SECBINFHSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CCC1(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CCCCC1	ZINC001588457611	963279582	/nfs/dbraw/zinc/27/95/82/963279582.db2.gz	HLTSSPDXABXGGQ-KGLIPLIRSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC001588535291	963282430	/nfs/dbraw/zinc/28/24/30/963282430.db2.gz	HCEFKUIRXPWAIZ-SNVBAGLBSA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=C(C)CSCCOc1ccc(/C=C\C(=O)[O-])cc1	ZINC001588577115	963282632	/nfs/dbraw/zinc/28/26/32/963282632.db2.gz	MDAJQKOEHKBGND-YVMONPNESA-N	-1	0	278.373	3.473	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1c(F)cccc1C(=O)[O-]	ZINC001588536309	963286504	/nfs/dbraw/zinc/28/65/04/963286504.db2.gz	QQQMAFCFYIGILJ-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)OC1CCC(CC(=O)[O-])CC1	ZINC001588535288	963287614	/nfs/dbraw/zinc/28/76/14/963287614.db2.gz	GYVZDERODYXPQX-HIFPTAJRSA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C	ZINC001588606648	963293059	/nfs/dbraw/zinc/29/30/59/963293059.db2.gz	CNDOPRQFUQDHKZ-QWHCGFSZSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(C)ccc1Cl	ZINC001588629181	963294833	/nfs/dbraw/zinc/29/48/33/963294833.db2.gz	AILUXPFUQHDFMV-UHFFFAOYSA-N	-1	0	267.712	3.008	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)OCCc1ccccc1C(=O)[O-]	ZINC001588681858	963297685	/nfs/dbraw/zinc/29/76/85/963297685.db2.gz	FNORLUMRKRDTME-INIZCTEOSA-N	-1	0	276.332	3.073	20	30		CGEDRM
C=C[C@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl	ZINC001588663660	963299491	/nfs/dbraw/zinc/29/94/91/963299491.db2.gz	IUSMRSIKNOTZNF-LLVKDONJSA-N	-1	0	274.147	3.064	20	30		CGEDRM
C=C[C@H](Nc1cccc(OCCC(C)C)c1)C(=O)[O-]	ZINC001588702257	963303802	/nfs/dbraw/zinc/30/38/02/963303802.db2.gz	OHYWRQSVHKIRCR-AWEZNQCLSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=C[C@@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)[O-]	ZINC001588702588	963304143	/nfs/dbraw/zinc/30/41/43/963304143.db2.gz	VLVICRKIEQCSLF-QGZVFWFLSA-N	-1	0	297.354	3.455	20	30		CGEDRM
C=C[C@@H](Nc1cccc(COc2ccccc2)c1)C(=O)[O-]	ZINC001588701899	963305019	/nfs/dbraw/zinc/30/50/19/963305019.db2.gz	CHTTVZYXSVELSA-MRXNPFEDSA-N	-1	0	283.327	3.317	20	30		CGEDRM
C=CC1(CC(=O)NC2(C(=O)[O-])CCCCC2)CCCCC1	ZINC001588718600	963305306	/nfs/dbraw/zinc/30/53/06/963305306.db2.gz	DLMYZHVJVUYBEE-UHFFFAOYSA-N	-1	0	293.407	3.417	20	30		CGEDRM
C=C[C@@H](Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-]	ZINC001588702879	963305987	/nfs/dbraw/zinc/30/59/87/963305987.db2.gz	ZMNUMUMXXZGEBH-CYBMUJFWSA-N	-1	0	277.364	3.361	20	30		CGEDRM
C=CCC1(C(=O)NCC2(C(=O)[O-])CCCCC2)CCCC1	ZINC001588762930	963308422	/nfs/dbraw/zinc/30/84/22/963308422.db2.gz	NURYPLLOUMBZSV-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=CC[C@@H](SCc1cccc2cccnc21)C(=O)[O-]	ZINC001588759456	963308999	/nfs/dbraw/zinc/30/89/99/963308999.db2.gz	UCYOQSWECXJBDN-CYBMUJFWSA-N	-1	0	273.357	3.497	20	30		CGEDRM
C=CC[C@H](C)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588736375	963309434	/nfs/dbraw/zinc/30/94/34/963309434.db2.gz	YCMKUJDOOMCQSV-QMMMGPOBSA-N	-1	0	268.696	3.160	20	30		CGEDRM
C=CCC(C)(C)C(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588735980	963312409	/nfs/dbraw/zinc/31/24/09/963312409.db2.gz	AQJXSLRDWMVSJH-UHFFFAOYSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC001588785700	963313977	/nfs/dbraw/zinc/31/39/77/963313977.db2.gz	KHGFAFZRHXWQNY-CZUORRHYSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1	ZINC001588778683	963315226	/nfs/dbraw/zinc/31/52/26/963315226.db2.gz	IWTOCHDFSVYXQW-CQSZACIVSA-N	-1	0	298.342	3.150	20	30		CGEDRM
C=CCC1(C(=O)OCc2cc(C)c(C(=O)[O-])o2)CCC1	ZINC001588767061	963317443	/nfs/dbraw/zinc/31/74/43/963317443.db2.gz	GVZHIKLWZKGJOH-UHFFFAOYSA-N	-1	0	278.304	3.076	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC001588785696	963317983	/nfs/dbraw/zinc/31/79/83/963317983.db2.gz	KHGFAFZRHXWQNY-BBRMVZONSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCCSc1nc(C(F)(F)F)ccc1C(=O)[O-]	ZINC001588814554	963320741	/nfs/dbraw/zinc/32/07/41/963320741.db2.gz	DNBOHZUCUTXOSW-UHFFFAOYSA-N	-1	0	277.267	3.467	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H](C)COC	ZINC001588829189	963321171	/nfs/dbraw/zinc/32/11/71/963321171.db2.gz	HSCSWYRMDZSYOO-NSHDSACASA-N	-1	0	297.782	3.061	20	30		CGEDRM
C=CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccccc1	ZINC001588820270	963321684	/nfs/dbraw/zinc/32/16/84/963321684.db2.gz	YTIDBRQYRUPQGF-HJWRWDBZSA-N	-1	0	297.310	3.210	20	30		CGEDRM
C=CCc1cccc(F)c1OCCCCC(=O)[O-]	ZINC001588886185	963326599	/nfs/dbraw/zinc/32/65/99/963326599.db2.gz	DKHRFYJNSFRIKU-UHFFFAOYSA-N	-1	0	252.285	3.188	20	30		CGEDRM
C[C@@H](C(=O)[O-])c1cccc(Nc2ncc(C#N)cc2F)c1	ZINC001589540002	963995671	/nfs/dbraw/zinc/99/56/71/963995671.db2.gz	NMFSNKMNCZNRTK-SECBINFHSA-N	-1	0	285.278	3.024	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000396620977	972924579	/nfs/dbraw/zinc/92/45/79/972924579.db2.gz	KROKCJVUYYOFFQ-AAEUAGOBSA-N	-1	0	290.363	3.351	20	30		CGEDRM
Cc1cc(OC(=O)CCCCC(=O)[O-])c(C)c(C)c1C#N	ZINC001605216896	972964191	/nfs/dbraw/zinc/96/41/91/972964191.db2.gz	TUELSEQPYKMYTN-UHFFFAOYSA-N	-1	0	289.331	3.034	20	30		CGEDRM
N#Cc1c(Cl)cccc1NC[C@H](CC1CC1)C(=O)[O-]	ZINC000405343367	973837091	/nfs/dbraw/zinc/83/70/91/973837091.db2.gz	JMPIOSPBTLCPKL-JTQLQIEISA-N	-1	0	278.739	3.124	20	30		CGEDRM
C[C@@H](CCN=Nc1ccnc2cc(Cl)ccc12)C(=O)[O-]	ZINC001592471532	978233426	/nfs/dbraw/zinc/23/34/26/978233426.db2.gz	SSUIQMVMKCUBJW-VIFPVBQESA-N	-1	0	291.738	3.397	20	30		CGEDRM
C[C@H](CCN=Nc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC001592472009	978235420	/nfs/dbraw/zinc/23/54/20/978235420.db2.gz	ZEYBYPHSMVITCU-MRVPVSSYSA-N	-1	0	274.242	3.214	20	30		CGEDRM
C[C@@H](Cc1ccc(NCc2ccccc2C#N)cc1)C(=O)[O-]	ZINC001592878267	979749399	/nfs/dbraw/zinc/74/93/99/979749399.db2.gz	YYLXOSOLKDCDLV-ZDUSSCGKSA-N	-1	0	294.354	3.434	20	30		CGEDRM
C=CCC[C@H](C)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000901711118	980460927	/nfs/dbraw/zinc/46/09/27/980460927.db2.gz	NPXBHRLQGUELKE-JTQLQIEISA-N	-1	0	279.336	3.169	20	30		CGEDRM
CCC[C@H](CN=Nc1ccc(C(=O)[O-])c(Cl)c1)OC	ZINC001595578281	981499597	/nfs/dbraw/zinc/49/95/97/981499597.db2.gz	CIBIRSJHAKJTRI-SNVBAGLBSA-N	-1	0	284.743	3.251	20	30		CGEDRM
CCCC[C@@H](S[C@@H](C#N)Cc1ccccc1)C(=O)[O-]	ZINC001595652633	982034894	/nfs/dbraw/zinc/03/48/94/982034894.db2.gz	VWCOONWSQATDID-ZIAGYGMSSA-N	-1	0	277.389	3.498	20	30		CGEDRM
CCCCC[C@H](NC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001595672293	982132050	/nfs/dbraw/zinc/13/20/50/982132050.db2.gz	ODFILJRRHDXRKQ-ZDUSSCGKSA-N	-1	0	294.395	3.000	20	30		CGEDRM
CCCCCCCn1cc(C(=O)[O-])nc1C1CC1	ZINC001595709031	982290064	/nfs/dbraw/zinc/29/00/64/982290064.db2.gz	RDOYBLQYVPLXLA-UHFFFAOYSA-N	-1	0	250.342	3.429	20	30		CGEDRM
Cc1c(C#N)cccc1NCc1ccc(C(=O)[O-])cc1	ZINC001599974695	986069917	/nfs/dbraw/zinc/06/99/17/986069917.db2.gz	GMUKVJCZUHNGQW-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001594722466	987213496	/nfs/dbraw/zinc/21/34/96/987213496.db2.gz	PTYSXZVRFDYDBS-UHFFFAOYSA-N	-1	0	295.722	3.274	20	30		CGEDRM
CCc1ccc(NN=Cc2cc(C(=O)[O-])oc2C)cc1	ZINC001597551538	988276392	/nfs/dbraw/zinc/27/63/92/988276392.db2.gz	KGGXLTOKDIRRAP-UHFFFAOYSA-N	-1	0	272.304	3.295	20	30		CGEDRM
CCc1cccc(Oc2ccc(C(=O)[O-])nc2C#N)c1	ZINC001597597843	988448037	/nfs/dbraw/zinc/44/80/37/988448037.db2.gz	IFVJBPCWNCLRGO-UHFFFAOYSA-N	-1	0	268.272	3.006	20	30		CGEDRM
N#Cc1c(Cl)cccc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC000052903360	345110460	/nfs/dbraw/zinc/11/04/60/345110460.db2.gz	NZNPZNHSCNYGHJ-LLVKDONJSA-N	-1	0	292.766	3.293	20	30		CGEDRM
N#CC1(c2ccc(CN=c3[n-]nc(C4CC4)s3)cc2)CC1	ZINC000594734208	347215090	/nfs/dbraw/zinc/21/50/90/347215090.db2.gz	SIFYDPASUMXBEZ-UHFFFAOYSA-N	-1	0	296.399	3.005	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2cccc(C(F)F)c2C#N)C1	ZINC000595968234	347373271	/nfs/dbraw/zinc/37/32/71/347373271.db2.gz	JDSRNPQYZXYQSI-VHSXEESVSA-N	-1	0	294.301	3.043	20	30		CGEDRM
CO[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)C1CCCCC1	ZINC000596542293	347476971	/nfs/dbraw/zinc/47/69/71/347476971.db2.gz	PWHFZNLIAQNPRQ-NSHDSACASA-N	-1	0	299.827	3.097	20	30		CGEDRM
Cc1ccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])cc1C#N	ZINC000600964639	347849855	/nfs/dbraw/zinc/84/98/55/347849855.db2.gz	FAQOIMBGQZSFHS-UHFFFAOYSA-N	-1	0	283.331	3.183	20	30		CGEDRM
CC(C)(CCC#N)CNC(=O)Cc1ccc(O)c(Cl)c1	ZINC000601579452	347897789	/nfs/dbraw/zinc/89/77/89/347897789.db2.gz	DWSAMPSBBLHHOW-UHFFFAOYSA-N	-1	0	294.782	3.034	20	30		CGEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C#N)cc1Cl	ZINC000601988423	347931892	/nfs/dbraw/zinc/93/18/92/347931892.db2.gz	JWJPCZFFTUHLQW-UHFFFAOYSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CN=c1[n-]nc(S[C@@H](C#N)c2ccc(Cl)cc2)s1	ZINC000619863939	349287277	/nfs/dbraw/zinc/28/72/77/349287277.db2.gz	WZPQVEBQNYEMQH-VIFPVBQESA-N	-1	0	296.808	3.012	20	30		CGEDRM
C=CCC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCCC1	ZINC000630292331	350821028	/nfs/dbraw/zinc/82/10/28/350821028.db2.gz	MRCJHFRAFLEAGX-HDJSIYSDSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@H](CC)CCCC)C(=O)[O-]	ZINC000630325136	350823917	/nfs/dbraw/zinc/82/39/17/350823917.db2.gz	IGGWJPXELCQMLM-OLZOCXBDSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634927579	351605054	/nfs/dbraw/zinc/60/50/54/351605054.db2.gz	SWQQUJPQRBGCCE-ZIAGYGMSSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000634931415	351605542	/nfs/dbraw/zinc/60/55/42/351605542.db2.gz	CBDDFEXLNJFKOG-OKILXGFUSA-N	-1	0	299.370	3.325	20	30		CGEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Cl)o1	ZINC000122169253	370904214	/nfs/dbraw/zinc/90/42/14/370904214.db2.gz	YEAJIAJKEBKBEV-VIFPVBQESA-N	-1	0	299.717	3.310	20	30		CGEDRM
Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041542922	369190775	/nfs/dbraw/zinc/19/07/75/369190775.db2.gz	AJQFIHVZEBNZNB-SNVBAGLBSA-N	-1	0	299.717	3.310	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)C1CCCC1	ZINC000048519698	369356750	/nfs/dbraw/zinc/35/67/50/369356750.db2.gz	UJSXPQPFHNTIQI-UHFFFAOYSA-N	-1	0	293.388	3.011	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519767	369356970	/nfs/dbraw/zinc/35/69/70/369356970.db2.gz	BDIGCSONZUOYPY-LLVKDONJSA-N	-1	0	295.404	3.257	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1ccc(C(F)(F)F)cn1	ZINC000429671467	372375549	/nfs/dbraw/zinc/37/55/49/372375549.db2.gz	KXXMPWMFELEQCG-MRVPVSSYSA-N	-1	0	297.261	3.047	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCCOC1	ZINC000171648095	372800392	/nfs/dbraw/zinc/80/03/92/372800392.db2.gz	NAIIZGGWKULUDI-JFEKIERCSA-N	-1	0	274.147	3.297	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3ccoc3c2)cc1[O-]	ZINC000442805233	373091125	/nfs/dbraw/zinc/09/11/25/373091125.db2.gz	ZTCYXQNKMJILQO-UHFFFAOYSA-N	-1	0	278.267	3.262	20	30		CGEDRM
CC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)OC	ZINC000176449614	373596542	/nfs/dbraw/zinc/59/65/42/373596542.db2.gz	OHIDISLUUIMEHW-UWJMNNEMSA-N	-1	0	290.146	3.070	20	30		CGEDRM
C=C[C@H](CC(=O)N(CCC(=O)[O-])C(C)C)c1ccccc1	ZINC000263250029	190067345	/nfs/dbraw/zinc/06/73/45/190067345.db2.gz	JDPSEJFCGKZFSN-CQSZACIVSA-N	-1	0	289.375	3.058	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000263302674	190067867	/nfs/dbraw/zinc/06/78/67/190067867.db2.gz	UXETUOANHQHNHQ-GUYCJALGSA-N	-1	0	289.375	3.095	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000237964904	376766054	/nfs/dbraw/zinc/76/60/54/376766054.db2.gz	DOGWCQPCBZIBGA-UHFFFAOYSA-N	-1	0	259.305	3.092	20	30		CGEDRM
N#Cc1cccc(C2(NCc3cc(O)cc(F)c3)CC2)c1	ZINC000341225900	377453270	/nfs/dbraw/zinc/45/32/70/377453270.db2.gz	FQJHGWAMMRQSNP-UHFFFAOYSA-N	-1	0	282.318	3.182	20	30		CGEDRM
C=CCOc1cccc([N-]S(=O)(=O)c2ccsc2)c1	ZINC000350011959	379476511	/nfs/dbraw/zinc/47/65/11/379476511.db2.gz	AJDGWYVCHUFVHV-UHFFFAOYSA-N	-1	0	295.385	3.114	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000281695713	379842815	/nfs/dbraw/zinc/84/28/15/379842815.db2.gz	LRAPGVOZDJRSNQ-JTQLQIEISA-N	-1	0	253.729	3.130	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)NCCCCCCCC(=O)[O-]	ZINC000281295309	379828460	/nfs/dbraw/zinc/82/84/60/379828460.db2.gz	GCYYGVDIWQNGPW-CYBMUJFWSA-N	-1	0	269.385	3.130	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000186933025	260024157	/nfs/dbraw/zinc/02/41/57/260024157.db2.gz	CEJPCZLASZFKCF-UHFFFAOYSA-N	-1	0	292.335	3.119	20	30		CGEDRM
CC(=Cc1cccc(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000516842199	533406354	/nfs/dbraw/zinc/40/63/54/533406354.db2.gz	IVJPFRHUMNIOMW-RMKNXTFCSA-N	-1	0	285.734	3.164	20	30		CGEDRM
COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1C	ZINC000193128772	533470157	/nfs/dbraw/zinc/47/01/57/533470157.db2.gz	MQRKNGWSEXKSDR-FNORWQNLSA-N	-1	0	294.310	3.139	20	30		CGEDRM
COc1cc(C)cc(NC(=O)c2ccc(C#N)c([O-])c2)c1C	ZINC000428060866	533644423	/nfs/dbraw/zinc/64/44/23/533644423.db2.gz	RBZUISJXOOIVBY-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
CC(C)(C)CN(CCC#N)C(=O)c1ccc([O-])c(Cl)c1	ZINC000122581480	392422367	/nfs/dbraw/zinc/42/23/67/392422367.db2.gz	SKBLYGIKICPAMZ-UHFFFAOYSA-N	-1	0	294.782	3.448	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1nc(C2CC2)cs1	ZINC000647371090	392709861	/nfs/dbraw/zinc/70/98/61/392709861.db2.gz	JZEOJEXMSUFGIG-SECBINFHSA-N	-1	0	258.302	3.104	20	30		CGEDRM
CCc1cc(=O)[nH]c(S[C@H](C)c2cccc(C#N)c2)n1	ZINC000195071521	392954804	/nfs/dbraw/zinc/95/48/04/392954804.db2.gz	FOJHZLUHLAWCTJ-SNVBAGLBSA-N	-1	0	285.372	3.057	20	30		CGEDRM
N#Cc1cnccc1/C=C/c1ccc(C(=O)[O-])cc1Cl	ZINC000349108122	393137705	/nfs/dbraw/zinc/13/77/05/393137705.db2.gz	KSFNUXGWXZSNLO-OWOJBTEDSA-N	-1	0	284.702	3.475	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)CCCCC(=O)[O-])CCCC1(C)C	ZINC000668320708	543005916	/nfs/dbraw/zinc/00/59/16/543005916.db2.gz	GBNLETYSKXKRKS-ZDUSSCGKSA-N	-1	0	281.396	3.225	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C(F)(F)F)s1)c1ccncn1	ZINC000671777300	543189282	/nfs/dbraw/zinc/18/92/82/543189282.db2.gz	ZWFYXTRSXNCVHG-SSDOTTSWSA-N	-1	0	297.261	3.047	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659167900	418963101	/nfs/dbraw/zinc/96/31/01/418963101.db2.gz	RFZNBMRPOVLSER-DGCLKSJQSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])s1	ZINC000659166126	418963408	/nfs/dbraw/zinc/96/34/08/418963408.db2.gz	IJKNOWKAFBZVAY-GHMZBOCLSA-N	-1	0	293.388	3.311	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000654999412	419014115	/nfs/dbraw/zinc/01/41/15/419014115.db2.gz	GXSNTJALKSGDLI-SECBINFHSA-N	-1	0	288.328	3.112	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000653331204	419026736	/nfs/dbraw/zinc/02/67/36/419026736.db2.gz	OFRFKARTZAVUDA-JKSUJKDBSA-N	-1	0	299.370	3.184	20	30		CGEDRM
N#CC(=C([O-])c1occ2c1CCC2)c1nc2ccccc2o1	ZINC000353647911	228138321	/nfs/dbraw/zinc/13/83/21/228138321.db2.gz	SWLXIQNUAWHSPC-LBPRGKRZSA-N	-1	0	292.294	3.400	20	30		CGEDRM
C#CCN(C(=O)c1cc(F)c([O-])c(F)c1)C1CCCCC1	ZINC000491013512	261294828	/nfs/dbraw/zinc/29/48/28/261294828.db2.gz	JWUUZMFQWXJLFK-UHFFFAOYSA-N	-1	0	293.313	3.079	20	30		CGEDRM
CO[C@@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000188128004	262149783	/nfs/dbraw/zinc/14/97/83/262149783.db2.gz	UYAGQHAYTGMBBU-GYXDYACRSA-N	-1	0	262.136	3.153	20	30		CGEDRM
CC(C)(C#N)CC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286681272	263099317	/nfs/dbraw/zinc/09/93/17/263099317.db2.gz	HTQMLGOOOSIGGZ-UHFFFAOYSA-N	-1	0	270.691	3.063	20	30		CGEDRM
CC(C)(CCC#N)CN=c1[n-]nc(-c2ccccc2)s1	ZINC000340889743	263312277	/nfs/dbraw/zinc/31/22/77/263312277.db2.gz	GVUJHWUWAAOZJZ-UHFFFAOYSA-N	-1	0	286.404	3.369	20	30		CGEDRM
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000583893945	329530595	/nfs/dbraw/zinc/53/05/95/329530595.db2.gz	XLVVZGWDKZZNDV-UHFFFAOYSA-N	-1	0	290.344	3.075	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000262064497	329999346	/nfs/dbraw/zinc/99/93/46/329999346.db2.gz	DLHVBZQSWGZPKZ-GJZGRUSLSA-N	-1	0	293.407	3.295	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000262975684	330037952	/nfs/dbraw/zinc/03/79/52/330037952.db2.gz	MYWQIWRYYNZANW-HIFRSBDPSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1	ZINC000580440323	330135599	/nfs/dbraw/zinc/13/55/99/330135599.db2.gz	BWNNDOZXGSATOV-CYBMUJFWSA-N	-1	0	283.730	3.257	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)n(C(C)C)n2)n1	ZINC000453592364	331135215	/nfs/dbraw/zinc/13/52/15/331135215.db2.gz	RCVDYVLVYCOEAE-LLVKDONJSA-N	-1	0	288.376	3.027	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457289666	331218189	/nfs/dbraw/zinc/21/81/89/331218189.db2.gz	IKXMFEHCLPRKNU-ZDUSSCGKSA-N	-1	0	255.264	3.211	20	30		CGEDRM
C=C(C)CN(C)C(=O)c1ccc2ccccc2c1O	ZINC000165915414	331306509	/nfs/dbraw/zinc/30/65/09/331306509.db2.gz	BTYHHXKKBSWSEV-UHFFFAOYSA-N	-1	0	255.317	3.194	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1cccc(F)c1	ZINC000073838188	333979127	/nfs/dbraw/zinc/97/91/27/333979127.db2.gz	SAPPDUJARCUPLV-CMDGGOBGSA-N	-1	0	299.367	3.314	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000237601336	534570894	/nfs/dbraw/zinc/57/08/94/534570894.db2.gz	JADMFDXKINBHQH-UHFFFAOYSA-N	-1	0	273.332	3.400	20	30		CGEDRM
C=CCC1(C(=O)NCCCCCCCC(=O)[O-])CCC1	ZINC000295672058	527051004	/nfs/dbraw/zinc/05/10/04/527051004.db2.gz	KDBDBWQREXGVNX-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
CC(Cc1cccs1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000729633396	571926584	/nfs/dbraw/zinc/92/65/84/571926584.db2.gz	XTBWNKRQYONLLY-UHFFFAOYSA-N	-1	0	274.345	3.477	20	30		CGEDRM
C[C@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000730950574	572385688	/nfs/dbraw/zinc/38/56/88/572385688.db2.gz	GGDFFOAVNZIRFX-ACQLHABLSA-N	-1	0	262.309	3.298	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)C2	ZINC000738665392	572386087	/nfs/dbraw/zinc/38/60/87/572386087.db2.gz	OLICMIIYDGWENM-FLIBITNWSA-N	-1	0	268.268	3.109	20	30		CGEDRM
Cc1ccsc1C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000738800329	572393832	/nfs/dbraw/zinc/39/38/32/572393832.db2.gz	SINSBEWGFKRUAX-DUXPYHPUSA-N	-1	0	262.286	3.244	20	30		CGEDRM
Cc1oc(CN=Nc2c(F)cccc2F)cc1C(=O)[O-]	ZINC000738970908	572397358	/nfs/dbraw/zinc/39/73/58/572397358.db2.gz	WJFRPXXEXFEOPR-UHFFFAOYSA-N	-1	0	280.230	3.010	20	30		CGEDRM
CCCCCCCc1nc(C2(NC(=O)[O-])CCC2)no1	ZINC000739333362	572410849	/nfs/dbraw/zinc/41/08/49/572410849.db2.gz	XCFMMVABKKRLNH-UHFFFAOYSA-N	-1	0	281.356	3.229	20	30		CGEDRM
O=C([O-])CC[C@@H](/N=C/c1cccc(O)c1O)c1ccccc1	ZINC000739659881	572421988	/nfs/dbraw/zinc/42/19/88/572421988.db2.gz	PXYLQCRVJRSKJP-XWAFYUISSA-N	-1	0	299.326	3.123	20	30		CGEDRM
O=C([O-])Nc1cc(N=Cc2ccccc2O)ccc1F	ZINC000740003672	572428098	/nfs/dbraw/zinc/42/80/98/572428098.db2.gz	RXJCQCMNGJWHIF-UHFFFAOYSA-N	-1	0	274.251	3.372	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc(F)c2F)cc1	ZINC000743443042	572662276	/nfs/dbraw/zinc/66/22/76/572662276.db2.gz	OCUDKSVOMDNWDM-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
CCC(=NOCc1cccnc1)c1ccc(C(=O)[O-])cc1	ZINC000746585614	572882697	/nfs/dbraw/zinc/88/26/97/572882697.db2.gz	IJZDUCJCLYWGHW-UHFFFAOYSA-N	-1	0	284.315	3.111	20	30		CGEDRM
Cn1c(C(=O)Nc2cc(C#N)ccc2[O-])cc2ccccc21	ZINC000748005560	572957205	/nfs/dbraw/zinc/95/72/05/572957205.db2.gz	UQAVGOAHWRMZAV-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)cc2)cc1[O-]	ZINC000748133559	572962236	/nfs/dbraw/zinc/96/22/36/572962236.db2.gz	HPHGZGATPPRWPR-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
CC(=NNc1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749604255	573022480	/nfs/dbraw/zinc/02/24/80/573022480.db2.gz	SOVKXQDKEZRQSR-UHFFFAOYSA-N	-1	0	289.266	3.276	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cn1	ZINC000765824446	598201602	/nfs/dbraw/zinc/20/16/02/598201602.db2.gz	MKFOBNFPPDBIPL-SREVYHEPSA-N	-1	0	284.315	3.058	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CSc1cc(C#N)ccn1	ZINC000830395224	601406504	/nfs/dbraw/zinc/40/65/04/601406504.db2.gz	VWDSLEGCUMHEAW-UHFFFAOYSA-N	-1	0	288.328	3.099	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc(C)c1F	ZINC000832859863	601794050	/nfs/dbraw/zinc/79/40/50/601794050.db2.gz	ZUVZKIOKUVKGHP-ARJAWSKDSA-N	-1	0	287.290	3.365	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2ccccc2C(F)(F)F)c[nH]1	ZINC000814688546	601794798	/nfs/dbraw/zinc/79/47/98/601794798.db2.gz	BXCDUTMMSAEDMJ-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
COc1ccc(NCCCC(C)(C)C#N)c(C(=O)[O-])c1	ZINC000832413083	601907710	/nfs/dbraw/zinc/90/77/10/601907710.db2.gz	APUAOFJKWPIDCL-UHFFFAOYSA-N	-1	0	276.336	3.135	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccc(C(=O)[O-])s2)c1	ZINC000825636550	601950079	/nfs/dbraw/zinc/95/00/79/601950079.db2.gz	MOYIPMVBCZCWLF-UHFFFAOYSA-N	-1	0	271.341	3.064	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc3c(s2)CCC3)[nH]1	ZINC000833311720	602150261	/nfs/dbraw/zinc/15/02/61/602150261.db2.gz	BPIDCDZTSTWMAF-FNORWQNLSA-N	-1	0	287.340	3.159	20	30		CGEDRM
O=C([O-])c1ccc(C=NNCc2ccc(Cl)cc2)cc1	ZINC000764716897	602180196	/nfs/dbraw/zinc/18/01/96/602180196.db2.gz	AOULMNDEZXIGNY-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000262064506	602204613	/nfs/dbraw/zinc/20/46/13/602204613.db2.gz	DLHVBZQSWGZPKZ-LSDHHAIUSA-N	-1	0	293.407	3.295	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1COc1cc(C#N)ccc1C	ZINC000232309155	602306535	/nfs/dbraw/zinc/30/65/35/602306535.db2.gz	LZSHFAVYVLFENK-UHFFFAOYSA-N	-1	0	271.272	3.045	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2cccc(Cl)c2F)CC1	ZINC000831868736	603858918	/nfs/dbraw/zinc/85/89/18/603858918.db2.gz	CVZNHVCLHLAPCO-UHFFFAOYSA-N	-1	0	299.733	3.267	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)cc2F)c(=O)c1CCC#N	ZINC000899360921	620667711	/nfs/dbraw/zinc/66/77/11/620667711.db2.gz	RBLAZMXUSZMEJU-SNVBAGLBSA-N	-1	0	279.702	3.122	20	30		CGEDRM
C=C(C)COC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823480938	604225558	/nfs/dbraw/zinc/22/55/58/604225558.db2.gz	SOVQQXRMHOGAPW-UHFFFAOYSA-N	-1	0	299.710	3.171	20	30		CGEDRM
C=CC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756906221	604631016	/nfs/dbraw/zinc/63/10/16/604631016.db2.gz	VQTKGSCAXRBZHZ-JTQLQIEISA-N	-1	0	276.336	3.393	20	30		CGEDRM
N#Cc1c(F)cccc1N(CCC(=O)[O-])Cc1ccccc1	ZINC000692483062	604631802	/nfs/dbraw/zinc/63/18/02/604631802.db2.gz	YMPYEUWLRZECKS-UHFFFAOYSA-N	-1	0	298.317	3.179	20	30		CGEDRM
N#Cc1ccc(OCc2ccc(F)cc2C(=O)[O-])c(F)c1	ZINC000833070702	604650211	/nfs/dbraw/zinc/65/02/11/604650211.db2.gz	ACGJDIRAOZLKKU-UHFFFAOYSA-N	-1	0	289.237	3.114	20	30		CGEDRM
C=C(C)COc1ccc(Br)cc1C(=O)[O-]	ZINC000218916380	604868822	/nfs/dbraw/zinc/86/88/22/604868822.db2.gz	JYVMSBXWHIPZCP-UHFFFAOYSA-N	-1	0	271.110	3.102	20	30		CGEDRM
C=CCC[C@@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833373715	604991625	/nfs/dbraw/zinc/99/16/25/604991625.db2.gz	ZHEVPXWIKJLMJI-SECBINFHSA-N	-1	0	266.268	3.035	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cscn1	ZINC000833386431	605156199	/nfs/dbraw/zinc/15/61/99/605156199.db2.gz	CKFKLTRQHKRCOV-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C#N)c(F)c1	ZINC000776761607	605203049	/nfs/dbraw/zinc/20/30/49/605203049.db2.gz	DSRSUUWOKGJQRI-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(NCc2ccc(C#N)o2)cc1	ZINC000833418435	605545592	/nfs/dbraw/zinc/54/55/92/605545592.db2.gz	HEMGOUARFFGOCJ-UHFFFAOYSA-N	-1	0	284.315	3.126	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(F)cc(F)c1	ZINC000755870901	605594723	/nfs/dbraw/zinc/59/47/23/605594723.db2.gz	AOLMAMWPYROBRS-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
O=C([O-])N1CCC[C@H](CN=Nc2cccc3ncccc23)C1	ZINC000834101780	606052042	/nfs/dbraw/zinc/05/20/42/606052042.db2.gz	ZIPYFLIJHKKWBV-GFCCVEGCSA-N	-1	0	298.346	3.023	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1	ZINC000899854731	620732042	/nfs/dbraw/zinc/73/20/42/620732042.db2.gz	NRXSMOZFSRHOCE-CLWVCHIJSA-N	-1	0	297.354	3.181	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccccc2)cc1CC(=O)[O-]	ZINC000007353125	617666906	/nfs/dbraw/zinc/66/69/06/617666906.db2.gz	RBEJPFPUGSKAKO-VQHVLOKHSA-N	-1	0	296.322	3.218	20	30		CGEDRM
O=C(/C=C\c1cccc(O)c1)c1ccc(F)cc1[O-]	ZINC000254943972	617688853	/nfs/dbraw/zinc/68/88/53/617688853.db2.gz	HOBHJYZCZQZBQH-DAXSKMNVSA-N	-1	0	258.248	3.133	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2scnc2C)c([O-])c1	ZINC000255055740	617808367	/nfs/dbraw/zinc/80/83/67/617808367.db2.gz	FLIYBSDJJIZHRQ-WAYWQWQTSA-N	-1	0	275.329	3.062	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccccc2[O-])s1	ZINC000255081277	617915206	/nfs/dbraw/zinc/91/52/06/617915206.db2.gz	KXZGPCRFOAAULA-FPLPWBNLSA-N	-1	0	255.298	3.221	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@](C)(CC)C(=O)[O-])c1	ZINC000900355812	620782455	/nfs/dbraw/zinc/78/24/55/620782455.db2.gz	SQKQUVITZHASMR-OAHLLOKOSA-N	-1	0	276.336	3.095	20	30		CGEDRM
Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(F)c1	ZINC000255342048	618211804	/nfs/dbraw/zinc/21/18/04/618211804.db2.gz	BXECTQWXSLYBGQ-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C/C=C\c2ccc(F)cc2)c1	ZINC000255486286	618582395	/nfs/dbraw/zinc/58/23/95/618582395.db2.gz	NZQGFDMTGSIHHA-UPHRSURJSA-N	-1	0	296.301	3.445	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CCCc2ccccc2)c1	ZINC000176831006	618742518	/nfs/dbraw/zinc/74/25/18/618742518.db2.gz	AFTZXUIMBOLRSO-UHFFFAOYSA-N	-1	0	280.327	3.225	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000255599806	618752427	/nfs/dbraw/zinc/75/24/27/618752427.db2.gz	XIVSJHGWLSIGET-YVMONPNESA-N	-1	0	294.266	3.068	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255615848	618762791	/nfs/dbraw/zinc/76/27/91/618762791.db2.gz	MXQFUQZNDBNBGQ-VURMDHGXSA-N	-1	0	272.275	3.436	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814790475	619423423	/nfs/dbraw/zinc/42/34/23/619423423.db2.gz	UKRAODJODUTSFK-VHSXEESVSA-N	-1	0	264.300	3.114	20	30		CGEDRM
CC1(C)CCC/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)C1=O	ZINC000159001068	619440868	/nfs/dbraw/zinc/44/08/68/619440868.db2.gz	MADBMYATXOXNOZ-FLIBITNWSA-N	-1	0	275.304	3.463	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](CC)c1ccccc1	ZINC000048518514	619502675	/nfs/dbraw/zinc/50/26/75/619502675.db2.gz	XFJPPPRITANFRK-ZDUSSCGKSA-N	-1	0	283.393	3.267	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000048518494	619502743	/nfs/dbraw/zinc/50/27/43/619502743.db2.gz	GHMKXRBVTUIQKA-UHFFFAOYSA-N	-1	0	299.436	3.289	20	30		CGEDRM
C[C@H](F)CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707295	620087598	/nfs/dbraw/zinc/08/75/98/620087598.db2.gz	UNHGVKASSXXJGC-LCMBMATOSA-N	-1	0	274.679	3.121	20	30		CGEDRM
Cc1cc(C)c(C(=O)/C=C/c2nccs2)c(O)c1	ZINC000799894791	620309279	/nfs/dbraw/zinc/30/92/79/620309279.db2.gz	FLVNLGQQTUDSQB-ONEGZZNKSA-N	-1	0	259.330	3.362	20	30		CGEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]Oc1ccc(F)cc1	ZINC000898574567	620597282	/nfs/dbraw/zinc/59/72/82/620597282.db2.gz	LSCLIKGTDJQGCO-CQSZACIVSA-N	-1	0	296.342	3.207	20	30		CGEDRM
Cc1c(N=NC2CCOC23CCCC3)cccc1C(=O)[O-]	ZINC000901261020	620849344	/nfs/dbraw/zinc/84/93/44/620849344.db2.gz	BEJOIVLWEZVKAJ-UHFFFAOYSA-N	-1	0	288.347	3.194	20	30		CGEDRM
C=CC1(CC(=O)NC2(CC(=O)[O-])CCC2)CCCCC1	ZINC000907578030	622302329	/nfs/dbraw/zinc/30/23/29/622302329.db2.gz	GAZKVWMULOGYFK-UHFFFAOYSA-N	-1	0	279.380	3.027	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908332571	622341954	/nfs/dbraw/zinc/34/19/54/622341954.db2.gz	ATGOJNATCPWERO-HNNXBMFYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000908608330	622359618	/nfs/dbraw/zinc/35/96/18/622359618.db2.gz	JVUJMDNUVCUNGF-CYBMUJFWSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000908940983	622377796	/nfs/dbraw/zinc/37/77/96/622377796.db2.gz	NTUFXLXGSZSQPG-KRWDZBQOSA-N	-1	0	289.375	3.095	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CC1	ZINC000909098942	622392297	/nfs/dbraw/zinc/39/22/97/622392297.db2.gz	DMIUEOSYWRWTQT-IZZDOVSWSA-N	-1	0	285.343	3.469	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000909295670	622413856	/nfs/dbraw/zinc/41/38/56/622413856.db2.gz	HQXLPRCYZRWZEN-AWEZNQCLSA-N	-1	0	265.284	3.065	20	30		CGEDRM
CCCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000910190677	622466510	/nfs/dbraw/zinc/46/65/10/622466510.db2.gz	BAMRTSAUTYQURO-UHFFFAOYSA-N	-1	0	281.396	3.108	20	30		CGEDRM
C=C1CCC(C(=O)N(CC)c2cccc(C(=O)[O-])c2)CC1	ZINC000910970354	622512485	/nfs/dbraw/zinc/51/24/85/622512485.db2.gz	NCJMGLXHZJPGFL-UHFFFAOYSA-N	-1	0	287.359	3.484	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c([O-])c1	ZINC000156616676	622830381	/nfs/dbraw/zinc/83/03/81/622830381.db2.gz	KOWQMEOMEVHABW-QHHAFSJGSA-N	-1	0	296.322	3.232	20	30		CGEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000156717641	622841277	/nfs/dbraw/zinc/84/12/77/622841277.db2.gz	RMKJTJUKRHJSFE-AATRIKPKSA-N	-1	0	261.252	3.032	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)C)cc1	ZINC000045098605	622842808	/nfs/dbraw/zinc/84/28/08/622842808.db2.gz	RVMDPHDYFDTWJV-UHFFFAOYSA-N	-1	0	281.377	3.251	20	30		CGEDRM
Cc1nnc(N=NC(C)CC(C)(C)c2ccccc2)[n-]c1=O	ZINC000915945185	624078944	/nfs/dbraw/zinc/07/89/44/624078944.db2.gz	OJGIITSFZLIJFE-UHFFFAOYSA-N	-1	0	299.378	3.041	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915991192	624095186	/nfs/dbraw/zinc/09/51/86/624095186.db2.gz	ZDLOEEIVKICPFQ-KHPPLWFESA-N	-1	0	296.322	3.218	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(C)ccc1O	ZINC000916240558	624123757	/nfs/dbraw/zinc/12/37/57/624123757.db2.gz	NNGYAPJZIBAGIC-UHFFFAOYSA-N	-1	0	284.315	3.235	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1nc(C)sc1C	ZINC000916240883	624125614	/nfs/dbraw/zinc/12/56/14/624125614.db2.gz	SNOCAISWSOIZSX-UHFFFAOYSA-N	-1	0	289.360	3.294	20	30		CGEDRM
COc1ccccc1CC(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000916240830	624126418	/nfs/dbraw/zinc/12/64/18/624126418.db2.gz	YEDYQVICCDGHFS-UHFFFAOYSA-N	-1	0	298.342	3.424	20	30		CGEDRM
C=CCOc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000916240742	624126456	/nfs/dbraw/zinc/12/64/56/624126456.db2.gz	NHNOHHKEUALRKY-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000916250642	624132140	/nfs/dbraw/zinc/13/21/40/624132140.db2.gz	QXHKBBOWCHLDJZ-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
N#CC(C(=O)c1ccco1)=C([O-])c1cc2c(s1)CCCC2	ZINC000916871953	624220524	/nfs/dbraw/zinc/22/05/24/624220524.db2.gz	ZXCAPKQMGCQEHU-NSHDSACASA-N	-1	0	299.351	3.425	20	30		CGEDRM
O=C([O-])c1cccc(N=NC=CCc2ccco2)c1	ZINC000920356508	624480736	/nfs/dbraw/zinc/48/07/36/624480736.db2.gz	MSOUTVCZJCJVEL-JOYGOLBRSA-N	-1	0	256.261	3.089	20	30		CGEDRM
Cc1cc(C)cc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000921253210	624575715	/nfs/dbraw/zinc/57/57/15/624575715.db2.gz	KMZQVLKKAXHWCZ-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
Cc1ccc2c(c1)CCC2=NNc1cccc(C(=O)[O-])c1	ZINC000921254243	624576093	/nfs/dbraw/zinc/57/60/93/624576093.db2.gz	UUGPWRGWOMFKAZ-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)C	ZINC000070036238	624943560	/nfs/dbraw/zinc/94/35/60/624943560.db2.gz	OYMBTEDWPIKXAT-NSHDSACASA-N	-1	0	263.403	3.001	20	30		CGEDRM
CC(C)CCS(=O)(=O)[N-]C(=O)c1coc2ccccc12	ZINC000073533579	625788672	/nfs/dbraw/zinc/78/86/72/625788672.db2.gz	UABWEBSQWPCZPA-UHFFFAOYSA-N	-1	0	295.360	3.113	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1	ZINC000073838057	626070418	/nfs/dbraw/zinc/07/04/18/626070418.db2.gz	KEQDAFTYOIPAKJ-UHFFFAOYSA-N	-1	0	289.784	3.163	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)co1	ZINC000752883514	626441388	/nfs/dbraw/zinc/44/13/88/626441388.db2.gz	PWCGUDPYQSJXGS-YVMONPNESA-N	-1	0	285.299	3.392	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1	ZINC000753542506	626454540	/nfs/dbraw/zinc/45/45/40/626454540.db2.gz	TXPJPMZPAFXOEZ-LLVKDONJSA-N	-1	0	277.283	3.021	20	30		CGEDRM
Oc1cccc(Cl)c1CN=Nc1nncc2ccccc21	ZINC000755491082	626626015	/nfs/dbraw/zinc/62/60/15/626626015.db2.gz	LZOBMSYQCIZIDD-UHFFFAOYSA-N	-1	0	298.733	3.435	20	30		CGEDRM
O=C(/C=C/c1cccc2c1OCCCO2)c1ccccc1[O-]	ZINC000757473381	626781797	/nfs/dbraw/zinc/78/17/97/626781797.db2.gz	DADCPGGKZVZCSP-MDZDMXLPSA-N	-1	0	296.322	3.450	20	30		CGEDRM
Cc1cccc2ncc(/C=C\C(=O)c3ccccc3[O-])n21	ZINC000757476044	626782259	/nfs/dbraw/zinc/78/22/59/626782259.db2.gz	UUTRJFSFDZVBDV-KTKRTIGZSA-N	-1	0	278.311	3.244	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2nc(Cl)cs2)cs1	ZINC000759084916	626872587	/nfs/dbraw/zinc/87/25/87/626872587.db2.gz	RZMPEZYJISWMBE-OWOJBTEDSA-N	-1	0	299.760	3.452	20	30		CGEDRM
O=C(/C=C\c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759090151	626873500	/nfs/dbraw/zinc/87/35/00/626873500.db2.gz	JLMQUFZUTSJSNE-XQRVVYSFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C(/C=C/c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759092142	626873974	/nfs/dbraw/zinc/87/39/74/626873974.db2.gz	WHZFKMSOMDRCDP-XVNBXDOJSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCC(CC)[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000762077861	627086326	/nfs/dbraw/zinc/08/63/26/627086326.db2.gz	ZCNQDPAGWMKPEO-SNVBAGLBSA-N	-1	0	260.337	3.275	20	30		CGEDRM
CC(=NNc1ccccc1)c1cccc(C(=O)[O-])c1	ZINC000764642594	627215861	/nfs/dbraw/zinc/21/58/61/627215861.db2.gz	ZIUSJJNMXMFEFM-UHFFFAOYSA-N	-1	0	254.289	3.221	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CC(C(F)F)C2)ccc1Cl	ZINC000766010402	627287110	/nfs/dbraw/zinc/28/71/10/627287110.db2.gz	SKTAUVBWUFIRID-UHFFFAOYSA-N	-1	0	288.681	3.481	20	30		CGEDRM
CCO[C@@H]1CCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000766428033	627330818	/nfs/dbraw/zinc/33/08/18/627330818.db2.gz	AGPHHZMLEPDDCL-CYBMUJFWSA-N	-1	0	296.754	3.395	20	30		CGEDRM
CC(=NNc1cccc([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000769763481	627576722	/nfs/dbraw/zinc/57/67/22/627576722.db2.gz	OSXZVDSCTDIPCZ-UHFFFAOYSA-N	-1	0	277.305	3.198	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CC23CCCCC3)c1	ZINC000770568782	627626466	/nfs/dbraw/zinc/62/64/66/627626466.db2.gz	NKWHVEQYQRNOCX-FBKCMUNRSA-N	-1	0	274.320	3.442	20	30		CGEDRM
N#Cc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1F	ZINC000770572788	627627323	/nfs/dbraw/zinc/62/73/23/627627323.db2.gz	KFTQUNHZNVMDNF-DJWKRKHSSA-N	-1	0	285.249	3.438	20	30		CGEDRM
CC1(C)CCCC[C@H]1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000773126418	627859819	/nfs/dbraw/zinc/85/98/19/627859819.db2.gz	VSPUYGHIYRXNMF-CQSZACIVSA-N	-1	0	291.351	3.193	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1F	ZINC000774131840	627949032	/nfs/dbraw/zinc/94/90/32/627949032.db2.gz	VRGHURBDYXAWOX-DAXSKMNVSA-N	-1	0	295.269	3.292	20	30		CGEDRM
CC(C)CN(CCC#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000775676306	628123623	/nfs/dbraw/zinc/12/36/23/628123623.db2.gz	QEJFIZIFWPCFPU-UHFFFAOYSA-N	-1	0	280.755	3.057	20	30		CGEDRM
N#CC1(NC(=O)c2cccc(Cl)c2[O-])CCCCC1	ZINC000775685421	628125892	/nfs/dbraw/zinc/12/58/92/628125892.db2.gz	LOZWJQMJRQHZKR-UHFFFAOYSA-N	-1	0	278.739	3.002	20	30		CGEDRM
N#C[C@H](NC(=O)c1cccc(Cl)c1[O-])C1CCCCC1	ZINC000775769213	628135189	/nfs/dbraw/zinc/13/51/89/628135189.db2.gz	JNIRKBCMZOWKAC-ZDUSSCGKSA-N	-1	0	292.766	3.248	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cccc(F)c1F	ZINC000776260056	628186127	/nfs/dbraw/zinc/18/61/27/628186127.db2.gz	VPSZPBSKGJLQDP-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CC(=NOC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000777457567	628273144	/nfs/dbraw/zinc/27/31/44/628273144.db2.gz	WDPQZUMBNYSRKF-UHFFFAOYSA-N	-1	0	278.308	3.374	20	30		CGEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]Oc1ccccc1F	ZINC000874910711	634649807	/nfs/dbraw/zinc/64/98/07/634649807.db2.gz	ZBCFYIUIUCNCMN-AWEZNQCLSA-N	-1	0	296.342	3.207	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC(C)(C)C1	ZINC000783861661	628752347	/nfs/dbraw/zinc/75/23/47/628752347.db2.gz	FJQNNQDXLRINHM-UHFFFAOYSA-N	-1	0	276.336	3.371	20	30		CGEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)CC	ZINC000785095977	628851848	/nfs/dbraw/zinc/85/18/48/628851848.db2.gz	ZKRGIIXLLWBPBB-ZDUSSCGKSA-N	-1	0	291.457	3.372	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1cc(C(=O)[O-])ccc1C	ZINC000788441929	629052485	/nfs/dbraw/zinc/05/24/85/629052485.db2.gz	XOKSBOTVTDKWHY-UHFFFAOYSA-N	-1	0	289.253	3.386	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@]1(C)CCCS1	ZINC000793034438	629404539	/nfs/dbraw/zinc/40/45/39/629404539.db2.gz	NQSHUKBLJLHFFD-AWEZNQCLSA-N	-1	0	294.376	3.077	20	30		CGEDRM
CCCC(=NN[C@@H](CC)C(=O)[O-])C1CCCCC1	ZINC000793055609	629405623	/nfs/dbraw/zinc/40/56/23/629405623.db2.gz	NGUBKCBDDVRCQI-LBPRGKRZSA-N	-1	0	254.374	3.176	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793058368	629406502	/nfs/dbraw/zinc/40/65/02/629406502.db2.gz	TZRQEMWDCYEMLL-DGCLKSJQSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@@H](NN=C1C[C@@H](c2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793074001	629407843	/nfs/dbraw/zinc/40/78/43/629407843.db2.gz	ZCBMQAZPQPRVQB-QWHCGFSZSA-N	-1	0	274.364	3.009	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000793081542	629408893	/nfs/dbraw/zinc/40/88/93/629408893.db2.gz	MTQSQXHUXGUPHY-LLVKDONJSA-N	-1	0	289.162	3.170	20	30		CGEDRM
C#CCCCC(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000863123515	629479634	/nfs/dbraw/zinc/47/96/34/629479634.db2.gz	HTWCVZKXNAMWPA-UHFFFAOYSA-N	-1	0	258.321	3.285	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCF)cc1	ZINC000794857921	629590372	/nfs/dbraw/zinc/59/03/72/629590372.db2.gz	ZJSVJYGTBVMCNQ-SNVBAGLBSA-N	-1	0	264.300	3.312	20	30		CGEDRM
CC(C)(CC(=O)Nc1cc(C#N)ccc1[O-])C(F)(F)F	ZINC000795149897	629637174	/nfs/dbraw/zinc/63/71/74/629637174.db2.gz	DNQIARTZBYDRBP-UHFFFAOYSA-N	-1	0	286.253	3.181	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H](C)CCCCC)C(=O)[O-]	ZINC000864182876	629792840	/nfs/dbraw/zinc/79/28/40/629792840.db2.gz	FBPHAMZCLLWTIB-PWSUYJOCSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C\C1CCCCCC1)C(=O)[O-]	ZINC000864186399	629795106	/nfs/dbraw/zinc/79/51/06/629795106.db2.gz	OMQUWTZZYSVGSU-LJTDUEICSA-N	-1	0	299.798	3.225	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000864581282	629871543	/nfs/dbraw/zinc/87/15/43/629871543.db2.gz	LTNWXIYLLXUQNV-GFCCVEGCSA-N	-1	0	296.754	3.021	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000799499290	630192156	/nfs/dbraw/zinc/19/21/56/630192156.db2.gz	URAYZAULENVQCC-HJWRWDBZSA-N	-1	0	277.279	3.153	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)C(C)(C)C	ZINC000800814893	630301925	/nfs/dbraw/zinc/30/19/25/630301925.db2.gz	CRTHWJGZYYUXPB-JTQLQIEISA-N	-1	0	278.352	3.473	20	30		CGEDRM
CC(C)CCC(N=Nc1ccc(C(=O)[O-])cn1)C1CC1	ZINC000802712266	630405146	/nfs/dbraw/zinc/40/51/46/630405146.db2.gz	JRCMTJDCYAXIBF-UHFFFAOYSA-N	-1	0	275.352	3.394	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1	ZINC000802890763	630424624	/nfs/dbraw/zinc/42/46/24/630424624.db2.gz	ICWHMWTVVDHEJI-UONOGXRCSA-N	-1	0	278.311	3.006	20	30		CGEDRM
C=C(CNC(=O)c1cccc(Cl)c1[O-])c1ccccc1	ZINC000807799537	630599415	/nfs/dbraw/zinc/59/94/15/630599415.db2.gz	LMZLAZGYJMVKIF-UHFFFAOYSA-N	-1	0	287.746	3.489	20	30		CGEDRM
CCCC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000807981914	630611092	/nfs/dbraw/zinc/61/10/92/630611092.db2.gz	OWDIKPQIEWSCKT-JTQLQIEISA-N	-1	0	263.341	3.394	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cc1)CC2	ZINC000811628951	631094102	/nfs/dbraw/zinc/09/41/02/631094102.db2.gz	ONFRMLHCZOBFEP-UHFFFAOYSA-N	-1	0	291.310	3.019	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc3[nH]ccc3c2)cc1	ZINC000811629276	631094366	/nfs/dbraw/zinc/09/43/66/631094366.db2.gz	WMCQQWKPHFWAGR-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
O=C([O-])[C@@H]1CCC(=NOC/C=C/Cl)c2ccccc21	ZINC000811669802	631108544	/nfs/dbraw/zinc/10/85/44/631108544.db2.gz	JIPIELBSOTWAKK-HOGQMRCISA-N	-1	0	279.723	3.122	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2cc(Cl)ccc2[O-])n1	ZINC000811693759	631110588	/nfs/dbraw/zinc/11/05/88/631110588.db2.gz	PMTGWGHOJHGUQR-ARJAWSKDSA-N	-1	0	290.731	3.270	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](SCc1ccccc1)C(C)C	ZINC000837047039	634847620	/nfs/dbraw/zinc/84/76/20/634847620.db2.gz	VLNYDWLCLSUKQY-CQSZACIVSA-N	-1	0	279.405	3.178	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](SCc1ccccc1)C(C)C	ZINC000837047037	634847788	/nfs/dbraw/zinc/84/77/88/634847788.db2.gz	VLNYDWLCLSUKQY-AWEZNQCLSA-N	-1	0	279.405	3.178	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](Sc1ccccc1)C(C)C	ZINC000837046973	634847863	/nfs/dbraw/zinc/84/78/63/634847863.db2.gz	SYBREOBRQHKGCI-CYBMUJFWSA-N	-1	0	265.378	3.037	20	30		CGEDRM
CCC(=NOCC1CC1)c1cc(C(=O)[O-])ccc1F	ZINC000814243502	631557932	/nfs/dbraw/zinc/55/79/32/631557932.db2.gz	ZTUVBAUMCJOZHV-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C[C@H]1CC(=NNCCCc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814837976	631652727	/nfs/dbraw/zinc/65/27/27/631652727.db2.gz	TWNCPOSLYZLAKF-XJKSGUPXSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@H]1CC(=NNCc2cccc(Cl)c2)CC[C@@H]1C(=O)[O-]	ZINC000814867554	631659571	/nfs/dbraw/zinc/65/95/71/631659571.db2.gz	JTDTYJZRBUDZRW-HZMBPMFUSA-N	-1	0	294.782	3.306	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2ccc(C(F)(F)F)cc2)c[nH]1	ZINC000814882203	631664072	/nfs/dbraw/zinc/66/40/72/631664072.db2.gz	JUPCRICXGLNPGK-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
CC(C)CON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000814883874	631664120	/nfs/dbraw/zinc/66/41/20/631664120.db2.gz	FOSWPUFMWZGESW-UHFFFAOYSA-N	-1	0	295.766	3.485	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccnc(F)c1	ZINC000814902773	631672503	/nfs/dbraw/zinc/67/25/03/631672503.db2.gz	UWMXVUGYPVXQGJ-UHFFFAOYSA-N	-1	0	281.331	3.434	20	30		CGEDRM
CC(=NN[C@H]1CCOC(C)(C)C1)[C@H](C)CCCCC(=O)[O-]	ZINC000814908080	631676169	/nfs/dbraw/zinc/67/61/69/631676169.db2.gz	HCYHYXKHGMTUNC-OCCSQVGLSA-N	-1	0	298.427	3.191	20	30		CGEDRM
CC(N=Nc1ncncc1Cl)[C@H](C)CCCCC(=O)[O-]	ZINC000814908879	631677258	/nfs/dbraw/zinc/67/72/58/631677258.db2.gz	FMHQAKYOOWOLBB-SECBINFHSA-N	-1	0	298.774	3.199	20	30		CGEDRM
CC(C)(C)C1CCN(N=Cc2cccc(C(=O)[O-])c2)CC1	ZINC000814913770	631680207	/nfs/dbraw/zinc/68/02/07/631680207.db2.gz	VHXWOUGPYOLGOO-UHFFFAOYSA-N	-1	0	288.391	3.477	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc(Cl)n1	ZINC000814939476	631692487	/nfs/dbraw/zinc/69/24/87/631692487.db2.gz	RLGMHIHIIZVOLR-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
O=C([O-])C1(c2cccc(Cl)c2)CC(=NOCC2CC2)C1	ZINC000814941069	631693966	/nfs/dbraw/zinc/69/39/66/631693966.db2.gz	NHFLPOATQXFXRV-UHFFFAOYSA-N	-1	0	293.750	3.239	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])CC1	ZINC000830336230	633851820	/nfs/dbraw/zinc/85/18/20/633851820.db2.gz	BETLRYANXFLBJO-UHFFFAOYSA-N	-1	0	291.322	3.419	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830337116	633852638	/nfs/dbraw/zinc/85/26/38/633852638.db2.gz	MYMHMNVBGZRNMB-SNVBAGLBSA-N	-1	0	279.311	3.275	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC3(CC3)C2)c1	ZINC000831271073	633935652	/nfs/dbraw/zinc/93/56/52/633935652.db2.gz	CXDWAAJGMPCCPO-GFCCVEGCSA-N	-1	0	270.332	3.173	20	30		CGEDRM
C=CCCCCNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000832329491	634048671	/nfs/dbraw/zinc/04/86/71/634048671.db2.gz	DXWNLHKXXIWHTL-UHFFFAOYSA-N	-1	0	276.361	3.203	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1cc(C)ccc1C)C(=O)[O-]	ZINC000872323756	634108799	/nfs/dbraw/zinc/10/87/99/634108799.db2.gz	WGPCXGKWYDTDRT-GFCCVEGCSA-N	-1	0	296.754	3.021	20	30		CGEDRM
O=C([O-])c1cccc(N=NC(C2CCC2)[C@H]2CCCO2)c1	ZINC000872325249	634109784	/nfs/dbraw/zinc/10/97/84/634109784.db2.gz	JDXGCGJFPMUKNO-CQSZACIVSA-N	-1	0	288.347	3.132	20	30		CGEDRM
CC1(C)CCCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006679	634311473	/nfs/dbraw/zinc/31/14/73/634311473.db2.gz	HTTDKFIICDGOSQ-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CC=CCC2)c(F)c1	ZINC000835012571	634316240	/nfs/dbraw/zinc/31/62/40/634316240.db2.gz	RCQKXSQYOVBFKC-JTQLQIEISA-N	-1	0	262.284	3.278	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]3C[C@@H]32)cc1F	ZINC000841641124	635206096	/nfs/dbraw/zinc/20/60/96/635206096.db2.gz	NXCVZAZPERRNEE-KCJUWKMLSA-N	-1	0	262.284	3.112	20	30		CGEDRM
C=C(C)CNC(=S)[N-]c1ccc(F)cc1SC	ZINC000843283976	635636268	/nfs/dbraw/zinc/63/62/68/635636268.db2.gz	OZRGHBNHOHEWCH-UHFFFAOYSA-N	-1	0	270.398	3.410	20	30		CGEDRM
C=CCO[N-]C(=O)C(CC)(CC)COCc1ccccc1	ZINC000843901193	635793242	/nfs/dbraw/zinc/79/32/42/635793242.db2.gz	HWDZJOPWBFWIQB-UHFFFAOYSA-N	-1	0	291.391	3.243	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccccc2F)CCCC1	ZINC000846543474	636197028	/nfs/dbraw/zinc/19/70/28/636197028.db2.gz	KUGNYQQYPQPLCY-GFCCVEGCSA-N	-1	0	277.339	3.260	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](Sc1ccccc1)C(C)C	ZINC000846547411	636199169	/nfs/dbraw/zinc/19/91/69/636199169.db2.gz	ACIBZCYMEVWNPW-OCCSQVGLSA-N	-1	0	279.405	3.426	20	30		CGEDRM
C#C[C@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC000848281376	636551432	/nfs/dbraw/zinc/55/14/32/636551432.db2.gz	ZNBSWQBFKGDEPX-VIFPVBQESA-N	-1	0	298.169	3.184	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCC23CCCC3)cc1	ZINC000848414167	636570444	/nfs/dbraw/zinc/57/04/44/636570444.db2.gz	KKWYDFKQWUMWRV-UHFFFAOYSA-N	-1	0	272.348	3.436	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CS1	ZINC000848412532	636570830	/nfs/dbraw/zinc/57/08/30/636570830.db2.gz	UEQVZUPBGCMSSU-QMMMGPOBSA-N	-1	0	282.340	3.207	20	30		CGEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C2CCCC2)c1	ZINC000850761317	637147202	/nfs/dbraw/zinc/14/72/02/637147202.db2.gz	KHNQOXMPKGMBAA-INIZCTEOSA-N	-1	0	298.386	3.191	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1	ZINC000853252690	637795239	/nfs/dbraw/zinc/79/52/39/637795239.db2.gz	RKMIXSCVISBOMQ-KGYLQXTDSA-N	-1	0	258.321	3.219	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCC23CC3)cc1F	ZINC000853354296	637822328	/nfs/dbraw/zinc/82/23/28/637822328.db2.gz	CVZAMOXRKWVVCM-UHFFFAOYSA-N	-1	0	262.284	3.256	20	30		CGEDRM
C=C[C@H](C)ON=C(C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853369862	637826789	/nfs/dbraw/zinc/82/67/89/637826789.db2.gz	VKSTXMFNNOEQKP-NSHDSACASA-N	-1	0	291.347	3.487	20	30		CGEDRM
[O-]c1c(Br)cccc1C=NOCC1CCC1	ZINC000853439508	637843717	/nfs/dbraw/zinc/84/37/17/637843717.db2.gz	JLQGTTKQUZUVAW-UHFFFAOYSA-N	-1	0	284.153	3.305	20	30		CGEDRM
CC(N=Nc1ncc(Cl)cn1)[C@H](C)CCCCC(=O)[O-]	ZINC000857220534	638476472	/nfs/dbraw/zinc/47/64/72/638476472.db2.gz	KHCCQCWIHZSHIR-SECBINFHSA-N	-1	0	298.774	3.199	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000158287509	639999577	/nfs/dbraw/zinc/99/95/77/639999577.db2.gz	FNBACBLCXSZJPH-RUDMXATFSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc(F)cc2)c1	ZINC000158288434	639999897	/nfs/dbraw/zinc/99/98/97/639999897.db2.gz	DBNDVRRHEAOIEM-RUDMXATFSA-N	-1	0	270.259	3.420	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000076762876	640214197	/nfs/dbraw/zinc/21/41/97/640214197.db2.gz	DXYSEUAJSROOCY-JTQLQIEISA-N	-1	0	287.356	3.048	20	30		CGEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1	ZINC000091127366	640704754	/nfs/dbraw/zinc/70/47/54/640704754.db2.gz	PDDQGKWDRDKCSY-UHFFFAOYSA-N	-1	0	299.392	3.165	20	30		CGEDRM
COc1cc2nc(-c3cc(C#N)ccc3[O-])[nH]c2cc1C	ZINC001251180258	805859282	/nfs/dbraw/zinc/85/92/82/805859282.db2.gz	LGDFNGJAPFZIRB-UHFFFAOYSA-N	-1	0	279.299	3.124	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(CC#N)c1	ZINC001253338263	806205971	/nfs/dbraw/zinc/20/59/71/806205971.db2.gz	MXAMXRQMNNPMMG-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C=C(C)C[N@@H+](CCC)Cc1nc(=O)c2sccc2[n-]1	ZINC001253402980	806215728	/nfs/dbraw/zinc/21/57/28/806215728.db2.gz	BSWLCBOBZYBGGT-UHFFFAOYSA-N	-1	0	277.393	3.185	20	30		CGEDRM
CCCCS(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N	ZINC001253848821	806315587	/nfs/dbraw/zinc/31/55/87/806315587.db2.gz	DCCHTZYIGPMVKK-UHFFFAOYSA-N	-1	0	280.393	3.223	20	30		CGEDRM
N#CC1(Nc2ccc(Br)cc2C(=O)[O-])CCC1	ZINC001162309176	806552849	/nfs/dbraw/zinc/55/28/49/806552849.db2.gz	BNPWNUROLLBUPZ-UHFFFAOYSA-N	-1	0	295.136	3.005	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000046927971	798890982	/nfs/dbraw/zinc/89/09/82/798890982.db2.gz	XBXBBFGBNZTYBJ-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc(C(=O)[O-])cc1F	ZINC000093396257	798964041	/nfs/dbraw/zinc/96/40/41/798964041.db2.gz	BSKGAFVFXPPNIH-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)C1CC1	ZINC000176520557	799098135	/nfs/dbraw/zinc/09/81/35/799098135.db2.gz	NXVCVUSTNYJNOJ-QMTHXVAHSA-N	-1	0	294.354	3.414	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC000398071536	799525756	/nfs/dbraw/zinc/52/57/56/799525756.db2.gz	GWXFCUUONUSDFW-BBRMVZONSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C=C(C)CNc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl	ZINC001163380947	806755350	/nfs/dbraw/zinc/75/53/50/806755350.db2.gz	JFNBOFPYZRSPDL-UHFFFAOYSA-N	-1	0	278.739	3.436	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2c(F)cc(CO)cc2F)c1	ZINC001244363439	803329172	/nfs/dbraw/zinc/32/91/72/803329172.db2.gz	IWIIFTPHUCDYFB-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nc1F	ZINC001244464234	803382004	/nfs/dbraw/zinc/38/20/04/803382004.db2.gz	XUTUNECGEIFFEE-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
Cc1ccc(-c2ccc(Cl)c([O-])c2F)nc1C#N	ZINC001244630523	803473870	/nfs/dbraw/zinc/47/38/70/803473870.db2.gz	PSZZPFMMPMLSSY-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3cc(C(=O)[O-])cnc3F)c2c1	ZINC001244756992	803521198	/nfs/dbraw/zinc/52/11/98/803521198.db2.gz	MMZXPZQXHOEUKD-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
O=C([O-])c1cnc(F)c(-c2ccccc2CS)c1	ZINC001244762769	803523279	/nfs/dbraw/zinc/52/32/79/803523279.db2.gz	DTJCHLABIVXDHN-UHFFFAOYSA-N	-1	0	263.293	3.016	20	30		CGEDRM
Cc1cc(-c2cncc(CC#N)c2)cc(C)c1C(=O)[O-]	ZINC001244946713	803586867	/nfs/dbraw/zinc/58/68/67/803586867.db2.gz	MGPREARCNXQCBG-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cc(Cl)ccc2[O-])n1	ZINC001245049381	803622233	/nfs/dbraw/zinc/62/22/33/803622233.db2.gz	OODARLUZQFFHPG-UHFFFAOYSA-N	-1	0	277.736	3.096	20	30		CGEDRM
N#Cc1cc(-c2cc(Cl)ccc2[O-])nc(C2CC2)n1	ZINC001245050884	803623430	/nfs/dbraw/zinc/62/34/30/803623430.db2.gz	PTEFTWLRUJUXFR-UHFFFAOYSA-N	-1	0	271.707	3.252	20	30		CGEDRM
N#CCOc1ccc(-c2ccc(C(=O)[O-])cc2Cl)nc1	ZINC001245372382	803717842	/nfs/dbraw/zinc/71/78/42/803717842.db2.gz	LZGORCCOZSAAAG-UHFFFAOYSA-N	-1	0	288.690	3.003	20	30		CGEDRM
Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cnc1C#N	ZINC001211962898	814961508	/nfs/dbraw/zinc/96/15/08/814961508.db2.gz	RDNBQMONZTYHST-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COc1cc(C#N)cnc1-c1cc(Cl)c([O-])cc1F	ZINC001245667435	803895462	/nfs/dbraw/zinc/89/54/62/803895462.db2.gz	HHLBSBONUIJHQS-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1ccnc(-c2c(F)ccc([O-])c2Cl)c1C#N	ZINC001245827221	803982599	/nfs/dbraw/zinc/98/25/99/803982599.db2.gz	NBWPDXRRQSLTPJ-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1ccc(-c2cc(/C=N/[O-])ccc2F)c(Cl)n1	ZINC001245876767	804008565	/nfs/dbraw/zinc/00/85/65/804008565.db2.gz	NYZLLLAVSMFEIR-FRKPEAEDSA-N	-1	0	280.686	3.358	20	30		CGEDRM
COc1ccc(-c2cc(=O)n(-c3ccccc3C#N)[n-]2)cc1	ZINC001245920872	804048561	/nfs/dbraw/zinc/04/85/61/804048561.db2.gz	WWICVDCUNNYEKL-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ncccc3Cl)[n-]2)cc1	ZINC001245932681	804062340	/nfs/dbraw/zinc/06/23/40/804062340.db2.gz	LARNQLGXGVUOKQ-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
COc1ccc(-n2[n-]c(-c3cccc(C#N)c3)cc2=O)cc1	ZINC001245937949	804070769	/nfs/dbraw/zinc/07/07/69/804070769.db2.gz	YPWNSDHLLOWJIL-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(Cl)c(C)c2)[nH]1	ZINC001245952223	804085241	/nfs/dbraw/zinc/08/52/41/804085241.db2.gz	UXBQFIUAUFMSMW-UHFFFAOYSA-N	-1	0	260.724	3.106	20	30		CGEDRM
CC(=O)n1ncc2ccc(Nc3scc([O-])c3C#N)cc21	ZINC001212414272	815022928	/nfs/dbraw/zinc/02/29/28/815022928.db2.gz	KUZMVZARJMVZLM-UHFFFAOYSA-N	-1	0	298.327	3.079	20	30		CGEDRM
N#Cc1cc(NC(=O)Cc2ccc(Cl)s2)ccc1O	ZINC001142244684	804706829	/nfs/dbraw/zinc/70/68/29/804706829.db2.gz	RMRYYCWIKXMFIB-UHFFFAOYSA-N	-1	0	292.747	3.160	20	30		CGEDRM
C=CCCNC(=S)[N-]c1ccccc1SC	ZINC001247643567	804791786	/nfs/dbraw/zinc/79/17/86/804791786.db2.gz	FWDKFYOMVHYDEK-UHFFFAOYSA-N	-1	0	252.408	3.271	20	30		CGEDRM
C=C(Cc1ccccc1)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001144395242	804980997	/nfs/dbraw/zinc/98/09/97/804980997.db2.gz	QIIXQWTXMBFDMM-UHFFFAOYSA-N	-1	0	296.301	3.140	20	30		CGEDRM
N#Cc1cccc(-c2noc(Cc3ccc([S-])cc3)n2)c1	ZINC001249167755	805102449	/nfs/dbraw/zinc/10/24/49/805102449.db2.gz	HLDQBQQSMUEPAI-UHFFFAOYSA-N	-1	0	293.351	3.488	20	30		CGEDRM
Cc1cc(Cc2ccccc2C#N)cc(C(=O)[O-])c1	ZINC001250046557	805387226	/nfs/dbraw/zinc/38/72/26/805387226.db2.gz	YNZKWACIUCQFED-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)s2)cc1	ZINC001258045562	807274172	/nfs/dbraw/zinc/27/41/72/807274172.db2.gz	NAQHQXLHDAUHJM-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2occc2c1	ZINC001258283263	807393726	/nfs/dbraw/zinc/39/37/26/807393726.db2.gz	NCBVRBHBZRQVAD-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
N#Cc1ccc(-c2nnc(CC3CCCC3)o2)c([O-])c1	ZINC001258695803	807550817	/nfs/dbraw/zinc/55/08/17/807550817.db2.gz	XXRYDPBSJOFNOZ-UHFFFAOYSA-N	-1	0	269.304	3.047	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(=O)[O-])ccc1NCC	ZINC001263632922	807983270	/nfs/dbraw/zinc/98/32/70/807983270.db2.gz	ATMIXUYDYLYYIA-UHFFFAOYSA-N	-1	0	276.336	3.111	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(F)cccc1F	ZINC001173859619	808718678	/nfs/dbraw/zinc/71/86/78/808718678.db2.gz	VDYJOPHQQZAQOI-UHFFFAOYSA-N	-1	0	252.245	3.347	20	30		CGEDRM
CC(C)CCn1cc(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001174418624	809011061	/nfs/dbraw/zinc/01/10/61/809011061.db2.gz	ZSXKZZCSVZNSQD-UHFFFAOYSA-N	-1	0	288.326	3.389	20	30		CGEDRM
Cc1cc(O)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174565472	809085561	/nfs/dbraw/zinc/08/55/61/809085561.db2.gz	XGUVKJXUYMXCPN-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
COc1cc(Nc2sc(C)cc2C#N)ccc1C(=O)[O-]	ZINC001174681203	809128844	/nfs/dbraw/zinc/12/88/44/809128844.db2.gz	OEVDBJWWZFUUSS-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(C(=O)[O-])s2)cc1	ZINC001174810141	809168872	/nfs/dbraw/zinc/16/88/72/809168872.db2.gz	HVFXEMOHZHETJG-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])s2)cc1F	ZINC001174813349	809170122	/nfs/dbraw/zinc/17/01/22/809170122.db2.gz	YFQRQSAAKBBONH-UHFFFAOYSA-N	-1	0	261.277	3.310	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C)cc(C#N)cc1C#N	ZINC001174982659	809225482	/nfs/dbraw/zinc/22/54/82/809225482.db2.gz	RHOKTUJCKNBFCE-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cc(C(=O)[O-])ccc1C	ZINC001174982891	809225789	/nfs/dbraw/zinc/22/57/89/809225789.db2.gz	ZUYNHSQRZXIVNL-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(O)cc1C#N	ZINC001174984848	809227513	/nfs/dbraw/zinc/22/75/13/809227513.db2.gz	VGCYPHKDURGCGV-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175158513	809292390	/nfs/dbraw/zinc/29/23/90/809292390.db2.gz	SESHNZSSUYTGDT-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)s1	ZINC001175219613	809311971	/nfs/dbraw/zinc/31/19/71/809311971.db2.gz	BEXDBBICQXLCHB-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001175223875	809315179	/nfs/dbraw/zinc/31/51/79/809315179.db2.gz	ZZNMBYLWZGCWJA-UHFFFAOYSA-N	-1	0	285.274	3.280	20	30		CGEDRM
CC1(C)CCCN(C(=O)c2ccc(Cl)c([O-])c2)[C@@H]1C#N	ZINC001297504047	809519178	/nfs/dbraw/zinc/51/91/78/809519178.db2.gz	XSAXHVAACJVGPB-CYBMUJFWSA-N	-1	0	292.766	3.200	20	30		CGEDRM
N#Cc1cc(Nc2csc(C(=O)[O-])c2)cs1	ZINC001176435282	809695885	/nfs/dbraw/zinc/69/58/85/809695885.db2.gz	AXUHGUILYVKVGL-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
Cc1noc([N-]c2c(F)cc(F)c(F)c2F)c1C#N	ZINC001176345578	809674488	/nfs/dbraw/zinc/67/44/88/809674488.db2.gz	DWXONIGLHHLPTG-UHFFFAOYSA-N	-1	0	271.173	3.155	20	30		CGEDRM
COc1ccc(Nc2csc(C(=O)[O-])c2)c(C#N)c1	ZINC001176438867	809697572	/nfs/dbraw/zinc/69/75/72/809697572.db2.gz	CZRIVEGTZOUGQD-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1csc(C(=O)[O-])c1	ZINC001176438796	809697738	/nfs/dbraw/zinc/69/77/38/809697738.db2.gz	DHLFZTCXUKMXCX-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595276	809726612	/nfs/dbraw/zinc/72/66/12/809726612.db2.gz	HRVZUGPCMSQDIA-WEVVVXLNSA-N	-1	0	294.310	3.408	20	30		CGEDRM
N#Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176670148	809739279	/nfs/dbraw/zinc/73/92/79/809739279.db2.gz	SZKTXXFESDJJOY-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(C(=O)[O-])cc2)c1	ZINC001176712518	809746770	/nfs/dbraw/zinc/74/67/70/809746770.db2.gz	FKQLGMRPYOVBFS-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])cc2)c1F	ZINC001176712447	809747057	/nfs/dbraw/zinc/74/70/57/809747057.db2.gz	ZWLPIUHMTNWIKE-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])cc2)cc(F)c1F	ZINC001176714437	809748677	/nfs/dbraw/zinc/74/86/77/809748677.db2.gz	CNZQMLGAUWUPJJ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ccc(C#N)cc1NC(=O)Cc1ccc([S-])cc1	ZINC001183189200	810139800	/nfs/dbraw/zinc/13/98/00/810139800.db2.gz	OTPQYGNJLIVOGP-UHFFFAOYSA-N	-1	0	298.367	3.037	20	30		CGEDRM
CCCCN(O)C(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC001184314657	810190449	/nfs/dbraw/zinc/19/04/49/810190449.db2.gz	FEYSDCWPOWENMO-CYBMUJFWSA-N	-1	0	299.411	3.152	20	30		CGEDRM
C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1	ZINC001185384263	810259433	/nfs/dbraw/zinc/25/94/33/810259433.db2.gz	RZOPCXSYFCOQES-JTQLQIEISA-N	-1	0	292.385	3.176	20	30		CGEDRM
Cc1ccc(NC(=O)Nc2c(O)cccc2C#N)cc1F	ZINC001187989771	810438528	/nfs/dbraw/zinc/43/85/28/810438528.db2.gz	NZIUHBFWSVDVQH-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cnc(CC)cn1	ZINC001187993190	810440145	/nfs/dbraw/zinc/44/01/45/810440145.db2.gz	MPHQSCJTJNWPLI-UHFFFAOYSA-N	-1	0	299.440	3.141	20	30		CGEDRM
CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccn2)c(O)c1	ZINC001192314767	810786712	/nfs/dbraw/zinc/78/67/12/810786712.db2.gz	STAIHDNSBMCRQC-UHFFFAOYSA-N	-1	0	295.342	3.209	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2ccc(C3CCC3)nc2)c1[O-]	ZINC001193642167	810927949	/nfs/dbraw/zinc/92/79/49/810927949.db2.gz	CLNFZUUNCLCHAI-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
N#Cc1ccc(C(=O)NCc2ccccc2C2CC2)c([O-])c1	ZINC001195764917	811290053	/nfs/dbraw/zinc/29/00/53/811290053.db2.gz	TZDUKDDLDQHCML-UHFFFAOYSA-N	-1	0	292.338	3.071	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201223592	811801828	/nfs/dbraw/zinc/80/18/28/811801828.db2.gz	COMHVRKTBYTQRK-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#Cc1ccc(Nc2cnc(F)c(C(=O)[O-])c2)c(Cl)c1	ZINC001215107660	815483823	/nfs/dbraw/zinc/48/38/23/815483823.db2.gz	VJGZXHFJVMRVKU-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(Nc2cc3ccccc3[nH]c2=O)c([O-])cc1F	ZINC001201761367	811962749	/nfs/dbraw/zinc/96/27/49/811962749.db2.gz	REJFCZDSHHBSNC-UHFFFAOYSA-N	-1	0	295.273	3.400	20	30		CGEDRM
Cc1c(C)c(Nc2scc([O-])c2C#N)ccc1CO	ZINC001215238238	815497252	/nfs/dbraw/zinc/49/72/52/815497252.db2.gz	JVMSVEVXXMNJKJ-UHFFFAOYSA-N	-1	0	274.345	3.178	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215274235	815501626	/nfs/dbraw/zinc/50/16/26/815501626.db2.gz	ODFKAJLLHBWMQW-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
CCc1nc(OC)ccc1Nc1scc([O-])c1C#N	ZINC001203585674	812400481	/nfs/dbraw/zinc/40/04/81/812400481.db2.gz	WHJPFQOHTKKBDW-UHFFFAOYSA-N	-1	0	275.333	3.035	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c2c[nH]nc21	ZINC001215758649	815579196	/nfs/dbraw/zinc/57/91/96/815579196.db2.gz	BEEQQNDOMRICMM-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
N#Cc1cc(-c2ccc(O)cc2F)nc(C(F)(F)F)c1	ZINC001206029758	813171657	/nfs/dbraw/zinc/17/16/57/813171657.db2.gz	IEXJZGKVQQEHFY-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ccc(-c2noc(-c3ccc(Cl)c([O-])c3)n2)nc1	ZINC001215807936	815601065	/nfs/dbraw/zinc/60/10/65/815601065.db2.gz	WBNOWSWXQYYWAD-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
N#CCc1cccc(-c2csc(C(=O)[O-])c2)c1F	ZINC001206278201	813268753	/nfs/dbraw/zinc/26/87/53/813268753.db2.gz	CFTURVYNKSXOMB-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
C#CCOc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001209890356	814190867	/nfs/dbraw/zinc/19/08/67/814190867.db2.gz	KQVOCMRVORWRRY-UHFFFAOYSA-N	-1	0	285.274	3.280	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)ccc2C)cc1C(=O)[O-]	ZINC001209903028	814195115	/nfs/dbraw/zinc/19/51/15/814195115.db2.gz	IPUZPVKMSIJCTF-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cccc(Nc2cc([O-])c(F)c(F)c2)c1C#N	ZINC001210125110	814301587	/nfs/dbraw/zinc/30/15/87/814301587.db2.gz	XSGFDOMLDMLYTN-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1	ZINC001210255348	814368850	/nfs/dbraw/zinc/36/88/50/814368850.db2.gz	SKGOKRQMQNJSSO-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1F	ZINC001210257975	814368874	/nfs/dbraw/zinc/36/88/74/814368874.db2.gz	JGVNKAWXKJKCDM-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(C(=O)[O-])ccc1OC	ZINC001210261191	814370481	/nfs/dbraw/zinc/37/04/81/814370481.db2.gz	ZSQHPWUNUDJCPK-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001210391648	814440974	/nfs/dbraw/zinc/44/09/74/814440974.db2.gz	WLSKFEFAJZPZRC-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
COc1c(F)cccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210411858	814449967	/nfs/dbraw/zinc/44/99/67/814449967.db2.gz	SKXSEJBAIAVYQR-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccnc(OC2CC2)c1	ZINC001210747073	814607925	/nfs/dbraw/zinc/60/79/25/814607925.db2.gz	DJHXDQZVEWOTED-UHFFFAOYSA-N	-1	0	273.317	3.005	20	30		CGEDRM
COc1c(Nc2cc(F)cc(C#N)c2)cccc1C(=O)[O-]	ZINC001211037337	814715183	/nfs/dbraw/zinc/71/51/83/814715183.db2.gz	UCCHTWZBSAQAHI-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1ccc([N+](=O)[O-])cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001211290550	814873010	/nfs/dbraw/zinc/87/30/10/814873010.db2.gz	XNDLNTHQYOJCCY-UHFFFAOYSA-N	-1	0	287.250	3.363	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c([O-])c(F)c2)cc([N+](=O)[O-])c1	ZINC001211330242	814879838	/nfs/dbraw/zinc/87/98/38/814879838.db2.gz	NVUAVLPXYYFMTH-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cc1ccc(Nc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC001211601932	814916084	/nfs/dbraw/zinc/91/60/84/814916084.db2.gz	SQXMCMXIFLUPMC-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211604021	814916918	/nfs/dbraw/zinc/91/69/18/814916918.db2.gz	KCKITDXVTZADJV-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)ccc1C#N	ZINC001211623007	814919587	/nfs/dbraw/zinc/91/95/87/814919587.db2.gz	UDGCQTNYDUNDGM-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cnc(C#N)c(Cl)c1	ZINC001211620941	814919926	/nfs/dbraw/zinc/91/99/26/814919926.db2.gz	OOCYLZCWPVMZRV-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
CNc1cc(F)cc(Nc2scc([O-])c2C#N)c1	ZINC001216185785	815725376	/nfs/dbraw/zinc/72/53/76/815725376.db2.gz	SLXJVYQYUONXHE-UHFFFAOYSA-N	-1	0	263.297	3.250	20	30		CGEDRM
Cc1nsc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1C#N	ZINC001216308144	815774638	/nfs/dbraw/zinc/77/46/38/815774638.db2.gz	PYDFEIDIOKGFCT-UHFFFAOYSA-N	-1	0	287.344	3.382	20	30		CGEDRM
N#Cc1cnnc(-c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC001242852666	823152667	/nfs/dbraw/zinc/15/26/67/823152667.db2.gz	VLKDWGPYDVWYFZ-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cccc(C(=O)[O-])c2C)c1	ZINC001216658268	815886520	/nfs/dbraw/zinc/88/65/20/815886520.db2.gz	WSDBHMPHBXFJBG-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3cccc(F)c3)no2)c([O-])c1	ZINC001217040071	815907440	/nfs/dbraw/zinc/90/74/40/815907440.db2.gz	POTDUVKCYCVUBJ-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
N#Cc1cccnc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC001222585252	816472139	/nfs/dbraw/zinc/47/21/39/816472139.db2.gz	CHXWWGYAFALXTK-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ncc1C#N	ZINC001222658362	816492542	/nfs/dbraw/zinc/49/25/42/816492542.db2.gz	NUQCKXRQZZQNLL-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
C#C[C@H](CCC)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223592498	816654322	/nfs/dbraw/zinc/65/43/22/816654322.db2.gz	AYANZXYMRXVQLZ-GMXMXKFQSA-N	-1	0	251.713	3.294	20	30		CGEDRM
C#C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccncc1	ZINC001223593445	816655614	/nfs/dbraw/zinc/65/56/14/816655614.db2.gz	KDORLMCYLLLJBB-QFVIEVDGSA-N	-1	0	286.718	3.262	20	30		CGEDRM
C[C@H](O/C(=N\O)c1cc(F)ccc1F)C1=CC=C[CH]1	ZINC001223889792	816697657	/nfs/dbraw/zinc/69/76/57/816697657.db2.gz	JUPQUOHEYCQYKJ-DJKGHHAWSA-N	-1	0	264.251	3.206	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCCC[C@H]2F)c1	ZINC001223891921	816698443	/nfs/dbraw/zinc/69/84/43/816698443.db2.gz	WADIFLNYOKYFHV-OXJGYNLJSA-N	-1	0	297.326	3.137	20	30		CGEDRM
C#C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001225491506	817073865	/nfs/dbraw/zinc/07/38/65/817073865.db2.gz	PONIFIXMIFYFRR-CQSZACIVSA-N	-1	0	269.256	3.054	20	30		CGEDRM
CC[C@@H](C)C[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009213	817248480	/nfs/dbraw/zinc/24/84/80/817248480.db2.gz	UUBTUDMIWLLRCV-KOLCDFICSA-N	-1	0	266.316	3.392	20	30		CGEDRM
Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013924	817249478	/nfs/dbraw/zinc/24/94/78/817249478.db2.gz	TUCXPYXNBBRRSC-AWEZNQCLSA-N	-1	0	284.290	3.173	20	30		CGEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226066228	817262222	/nfs/dbraw/zinc/26/22/22/817262222.db2.gz	ZJQWANVOUADZGU-SSDOTTSWSA-N	-1	0	272.226	3.021	20	30		CGEDRM
N#Cc1c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(=O)cc1C(F)(F)F	ZINC001226065650	817262847	/nfs/dbraw/zinc/26/28/47/817262847.db2.gz	UQIFGFXLYQGLJT-VAOFZXAKSA-N	-1	0	296.248	3.021	20	30		CGEDRM
Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222272	817302204	/nfs/dbraw/zinc/30/22/04/817302204.db2.gz	XHLIGZAGLRAHNZ-OAHLLOKOSA-N	-1	0	280.327	3.342	20	30		CGEDRM
Cc1ccc([C@H](C)Oc2nccc(/C=N/O)n2)c(C)c1	ZINC001226256413	817313047	/nfs/dbraw/zinc/31/30/47/817313047.db2.gz	RLNJCSJBLHPXHP-UWONZBIMSA-N	-1	0	271.320	3.042	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226345933	817332308	/nfs/dbraw/zinc/33/23/08/817332308.db2.gz	HHFUVTKZLQQBGJ-QMMMGPOBSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2ccnc(=S)[nH]2)C1	ZINC001226939882	817511579	/nfs/dbraw/zinc/51/15/79/817511579.db2.gz	JWCJQFUGYAYQKF-VXGBXAGGSA-N	-1	0	262.378	3.445	20	30		CGEDRM
C#C[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)c1ccccc1	ZINC001227601622	817678893	/nfs/dbraw/zinc/67/88/93/817678893.db2.gz	CKNOXADXLSBDNS-SECBINFHSA-N	-1	0	295.125	3.242	20	30		CGEDRM
Cc1ccc(-c2ncc3c(c2C#N)CCC3)cc1C(=O)[O-]	ZINC001243194997	823284816	/nfs/dbraw/zinc/28/48/16/823284816.db2.gz	OTQXKJBLCRSZOS-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
Cc1ccc(-c2ccc(C#N)cc2C#N)cc1C(=O)[O-]	ZINC001243197059	823286260	/nfs/dbraw/zinc/28/62/60/823286260.db2.gz	JGLRLEACLSIOAO-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
Cc1ccc(-c2ccccc2OCC#N)cc1C(=O)[O-]	ZINC001243198067	823286891	/nfs/dbraw/zinc/28/68/91/823286891.db2.gz	VSNBWQUQPWHNCN-UHFFFAOYSA-N	-1	0	267.284	3.263	20	30		CGEDRM
Cc1cc(-c2cnc3ccc(C#N)cc3n2)ccc1C(=O)[O-]	ZINC001243212575	823294386	/nfs/dbraw/zinc/29/43/86/823294386.db2.gz	QNQAAUKGSSAGNB-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])c(C)c2)ccc1CC#N	ZINC001243214951	823296422	/nfs/dbraw/zinc/29/64/22/823296422.db2.gz	ONEVJIDYYIPQEX-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231264655	818066897	/nfs/dbraw/zinc/06/68/97/818066897.db2.gz	TWMOUUQBMMDVEQ-JTQLQIEISA-N	-1	0	266.297	3.127	20	30		CGEDRM
N#Cc1cnc(-c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1	ZINC001243323498	823347666	/nfs/dbraw/zinc/34/76/66/823347666.db2.gz	XLWPENFQXQOFKM-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243326793	823349773	/nfs/dbraw/zinc/34/97/73/823349773.db2.gz	WVCOUSPMDPXVPK-UHFFFAOYSA-N	-1	0	297.701	3.405	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@H](C)[C@H](C)C2)c1C#N	ZINC001233915628	818730546	/nfs/dbraw/zinc/73/05/46/818730546.db2.gz	RMRGIPBPDSGHPL-HOSYDEDBSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=CC[C@H](CCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530267	818876116	/nfs/dbraw/zinc/87/61/16/818876116.db2.gz	JQSGIMDPAQFKGW-GFCCVEGCSA-N	-1	0	283.331	3.331	20	30		CGEDRM
N#CC1(c2ccnc(-c3c(F)cc(F)c([O-])c3F)c2)CC1	ZINC001235991674	819261660	/nfs/dbraw/zinc/26/16/60/819261660.db2.gz	CEEFJFUXTXSILC-UHFFFAOYSA-N	-1	0	290.244	3.427	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(C(=O)[O-])cc2)c1F	ZINC001236062879	819296318	/nfs/dbraw/zinc/29/63/18/819296318.db2.gz	BBDIWESWKGBXOQ-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])cc1F)CCCC2	ZINC001239250197	820238943	/nfs/dbraw/zinc/23/89/43/820238943.db2.gz	KIIYHHDQSLEPSQ-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
N#Cc1c(F)cc(-c2cccc(/C=N/[O-])c2)cc1F	ZINC001239927338	820705255	/nfs/dbraw/zinc/70/52/55/820705255.db2.gz	GABZPHHIMBIHFZ-QGMBQPNBSA-N	-1	0	258.227	3.312	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240548266	821134551	/nfs/dbraw/zinc/13/45/51/821134551.db2.gz	BDPLATARZFIQAY-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])s2)ccc1CC#N	ZINC001240847343	821367168	/nfs/dbraw/zinc/36/71/68/821367168.db2.gz	SZDGTTYGIUAEMX-UHFFFAOYSA-N	-1	0	257.314	3.488	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccc(C(=O)[O-])s1	ZINC001240848703	821369805	/nfs/dbraw/zinc/36/98/05/821369805.db2.gz	XGDSYXFXBRMFOB-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#CCc1cccc(-c2ccc(CC(=O)[O-])cc2)c1F	ZINC001240973364	821457295	/nfs/dbraw/zinc/45/72/95/821457295.db2.gz	GRIALGWXPPATTE-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(F)cc1OCC#N	ZINC001241001378	821480021	/nfs/dbraw/zinc/48/00/21/821480021.db2.gz	YZYZBPCOTCVTRB-UHFFFAOYSA-N	-1	0	285.274	3.402	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/O)c(F)c1	ZINC001241003531	821482134	/nfs/dbraw/zinc/48/21/34/821482134.db2.gz	RYICPGIZVCYINX-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
CCOC(=O)c1cc(C)nc(-c2ccc(C)cc2[O-])c1C#N	ZINC001241028245	821503030	/nfs/dbraw/zinc/50/30/30/821503030.db2.gz	KIEFRDLOGFEVPD-UHFFFAOYSA-N	-1	0	296.326	3.119	20	30		CGEDRM
N#Cc1ccc2ncc(-c3ccc(C(=O)[O-])c(F)c3)nc2c1	ZINC001241185237	821622624	/nfs/dbraw/zinc/62/26/24/821622624.db2.gz	SEFORWFZBBOSPV-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
CN(C)/C=N/c1ccc(-c2cccc(C(=O)[O-])c2)cc1C#N	ZINC001241360249	821761958	/nfs/dbraw/zinc/76/19/58/821761958.db2.gz	GZWYVBGTANMZPH-YBFXNURJSA-N	-1	0	293.326	3.145	20	30		CGEDRM
N#Cc1cc(F)cc(-c2ccc(/C=N/[O-])c(F)c2)c1	ZINC001241659092	822035382	/nfs/dbraw/zinc/03/53/82/822035382.db2.gz	XUCWYSMGMFTUTP-QGMBQPNBSA-N	-1	0	258.227	3.312	20	30		CGEDRM
COc1nc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1C#N	ZINC001242151243	822895897	/nfs/dbraw/zinc/89/58/97/822895897.db2.gz	IJGHNAKVDVBUGQ-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
CC#Cc1cncc(-c2cc(C(=O)[O-])cc(F)c2C)c1	ZINC001242211320	822911738	/nfs/dbraw/zinc/91/17/38/822911738.db2.gz	WKOZABVPLIOYBT-UHFFFAOYSA-N	-1	0	269.275	3.266	20	30		CGEDRM
N#Cc1ccc2c(c1)nccc2-c1cccc(CC(=O)[O-])c1	ZINC001242262923	822929889	/nfs/dbraw/zinc/92/98/89/822929889.db2.gz	XDNSHLDVBRBYNL-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cccc(C(=O)[O-])c3F)c2c1	ZINC001242378057	822974086	/nfs/dbraw/zinc/97/40/86/822974086.db2.gz	JKGAVGYTFWHDAV-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
COc1cc(-c2cccc(C(=O)[O-])c2F)cc(F)c1C#N	ZINC001242382291	822975963	/nfs/dbraw/zinc/97/59/63/822975963.db2.gz	TUWKKJKCCKWUBF-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C	ZINC001344801152	936544146	/nfs/dbraw/zinc/54/41/46/936544146.db2.gz	JWKVTSBEHZTGMT-LBPRGKRZSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC001347548069	936888167	/nfs/dbraw/zinc/88/81/67/936888167.db2.gz	ODSNDOLLTBUMDA-UHFFFAOYSA-N	-1	0	297.738	3.098	20	30		CGEDRM
C=CCCO[N-]C(=O)C(F)(F)c1ccc(Cl)cc1	ZINC001347864780	936900275	/nfs/dbraw/zinc/90/02/75/936900275.db2.gz	CNXBZUQBKPEZPW-UHFFFAOYSA-N	-1	0	275.682	3.056	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC001349437561	936949202	/nfs/dbraw/zinc/94/92/02/936949202.db2.gz	YKEXPAJABAMGQD-UHFFFAOYSA-N	-1	0	279.311	3.275	20	30		CGEDRM
CC(C)[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228900680	932047594	/nfs/dbraw/zinc/04/75/94/932047594.db2.gz	GWIGKOIUCDEXGP-HNNXBMFYSA-N	-1	0	268.316	3.435	20	30		CGEDRM
C[C@@H](Oc1nc2cc(Cl)[n-]c(Cl)c-2n1)[C@H](C)S	ZINC001231049705	932665849	/nfs/dbraw/zinc/66/58/49/932665849.db2.gz	NHLBDCUMRIXOAM-UHNVWZDZSA-N	-1	0	292.191	3.350	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccccc2/C=C/C(=O)[O-])c1	ZINC001244556116	932708947	/nfs/dbraw/zinc/70/89/47/932708947.db2.gz	WCAVAPLPDFWUCB-SOFGYWHQSA-N	-1	0	267.259	3.462	20	30		CGEDRM
CC#CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC001306819592	932888527	/nfs/dbraw/zinc/88/85/27/932888527.db2.gz	PYIIYBYJXMNGDE-UHFFFAOYSA-N	-1	0	299.757	3.466	20	30		CGEDRM
C=CC[C@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001321203909	934163294	/nfs/dbraw/zinc/16/32/94/934163294.db2.gz	LXGLQIOZTZJPIG-KBPBESRZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CC(N=Nc1ccc(C#N)cn1)[C@@H](C)CCCCC(=O)[O-]	ZINC001337006438	936231666	/nfs/dbraw/zinc/23/16/66/936231666.db2.gz	GCDFBJYJKDKBFR-NSHDSACASA-N	-1	0	288.351	3.022	20	30		CGEDRM
Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001524741713	938045180	/nfs/dbraw/zinc/04/51/80/938045180.db2.gz	WCXWHALWKDZQKR-SNVBAGLBSA-N	-1	0	287.294	3.131	20	30		CGEDRM
COc1cccc(C=Nc2cccc(CCC(=O)[O-])c2)c1O	ZINC001611066731	970875647	/nfs/dbraw/zinc/87/56/47/970875647.db2.gz	WHUQEOJIDCQTSU-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC000385538685	972002838	/nfs/dbraw/zinc/00/28/38/972002838.db2.gz	IEFVMJYJCRMQSE-UHFFFAOYSA-N	-1	0	290.363	3.377	20	30		CGEDRM
Cc1cc(F)c(C#N)c(NCc2cccc(C(=O)[O-])c2)c1	ZINC001594308985	957995184	/nfs/dbraw/zinc/99/51/84/957995184.db2.gz	JAMRXOGVTZADHT-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
Cc1cc(OCc2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC001594328731	958198533	/nfs/dbraw/zinc/19/85/33/958198533.db2.gz	YZOXRXJUVYRQJL-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
N#Cc1cc(F)c(NCC2(C(=O)[O-])CCCCC2)c(F)c1	ZINC000165663517	959288270	/nfs/dbraw/zinc/28/82/70/959288270.db2.gz	UDNLNCIEIRVEJX-UHFFFAOYSA-N	-1	0	294.301	3.283	20	30		CGEDRM
N#CCC[C@@H](C#N)CSCc1ccccc1C(=O)[O-]	ZINC001601066678	960541162	/nfs/dbraw/zinc/54/11/62/960541162.db2.gz	PAWTXFGGJOGMQO-NSHDSACASA-N	-1	0	274.345	3.062	20	30		CGEDRM
N#CC1CCC(CSCc2nc(C(=O)[O-])cs2)CC1	ZINC001601059949	960543248	/nfs/dbraw/zinc/54/32/48/960543248.db2.gz	RYFPTVRNNMMBQH-UHFFFAOYSA-N	-1	0	296.417	3.404	20	30		CGEDRM
CCCCCCCC(=O)NCc1ccccc1C(=O)[O-]	ZINC001603640245	960554173	/nfs/dbraw/zinc/55/41/73/960554173.db2.gz	ABVXJJKRAGIBBG-UHFFFAOYSA-N	-1	0	277.364	3.362	20	30		CGEDRM
CC(C)c1ncsc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC001569165116	961708764	/nfs/dbraw/zinc/70/87/64/961708764.db2.gz	YMJFVEJKUQCOAI-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
C#Cc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1	ZINC001573328035	962238525	/nfs/dbraw/zinc/23/85/25/962238525.db2.gz	ZIMVBKHCHIEWQD-UHFFFAOYSA-N	-1	0	285.343	3.032	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC001588537076	962759598	/nfs/dbraw/zinc/75/95/98/962759598.db2.gz	YBQRUPHNVNKUOK-JTQLQIEISA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-]	ZINC001573346873	962943804	/nfs/dbraw/zinc/94/38/04/962943804.db2.gz	HHTNMUFYCKXDBP-MLGOLLRUSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C[C@@H](SCc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC001588715394	963124368	/nfs/dbraw/zinc/12/43/68/963124368.db2.gz	WYYJYAUYQIDUJQ-LLVKDONJSA-N	-1	0	272.753	3.221	20	30		CGEDRM
C#C[C@](C)(CC)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC001588367327	963270520	/nfs/dbraw/zinc/27/05/20/963270520.db2.gz	QFOOEAHCKLERKO-GXTWGEPZSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1	ZINC001588444436	963270638	/nfs/dbraw/zinc/27/06/38/963270638.db2.gz	CAWWDVMBTMWZBM-QGZVFWFLSA-N	-1	0	285.343	3.469	20	30		CGEDRM
C=C(C)CCN1C[C@@H](CCC(=O)[O-])Cc2ccccc21	ZINC001588441589	963271833	/nfs/dbraw/zinc/27/18/33/963271833.db2.gz	KKKBAWNLBAXIBG-AWEZNQCLSA-N	-1	0	273.376	3.496	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC001588460361	963277108	/nfs/dbraw/zinc/27/71/08/963277108.db2.gz	AMHLHCBSZQGTBM-CQSZACIVSA-N	-1	0	290.363	3.036	20	30		CGEDRM
C#CCCOc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1	ZINC001588457594	963277397	/nfs/dbraw/zinc/27/73/97/963277397.db2.gz	DPLVNEZAXIHFOP-UHFFFAOYSA-N	-1	0	295.338	3.399	20	30		CGEDRM
C=C(C)CSCCOc1ccc(/C=C/C(=O)[O-])cc1	ZINC001588577113	963288482	/nfs/dbraw/zinc/28/84/82/963288482.db2.gz	MDAJQKOEHKBGND-VMPITWQZSA-N	-1	0	278.373	3.473	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC(C1CCCC1)C1CCCC1	ZINC001588622137	963291124	/nfs/dbraw/zinc/29/11/24/963291124.db2.gz	PNOCFGKXICCJAZ-UHFFFAOYSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)c1ccccc1Cl	ZINC001588607210	963293108	/nfs/dbraw/zinc/29/31/08/963293108.db2.gz	WHCHDDAWYFJNOJ-LLVKDONJSA-N	-1	0	295.766	3.280	20	30		CGEDRM
C=C(C)Cn1nc(C(=O)[O-])cc1-c1ccccc1Cl	ZINC001588599586	963294149	/nfs/dbraw/zinc/29/41/49/963294149.db2.gz	YQCNXBSUNLGEBO-UHFFFAOYSA-N	-1	0	276.723	3.478	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588681865	963296519	/nfs/dbraw/zinc/29/65/19/963296519.db2.gz	FPXQEQGCGJAXNN-ZDUSSCGKSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C[C@H]([NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-]	ZINC001588692595	963298508	/nfs/dbraw/zinc/29/85/08/963298508.db2.gz	FPRVVXCVHQOBFH-KBUNVGBDSA-N	-1	0	292.137	3.422	20	30		CGEDRM
C=C1CC(c2noc(C34CCC(C(=O)[O-])(CC3)CC4)n2)C1	ZINC001588644262	963298730	/nfs/dbraw/zinc/29/87/30/963298730.db2.gz	LYZXEGWBLVOWHP-UHFFFAOYSA-N	-1	0	288.347	3.180	20	30		CGEDRM
C=CC(C)(C)CC(=O)O[C@@H](C(=O)[O-])c1ccsc1	ZINC001588673257	963298834	/nfs/dbraw/zinc/29/88/34/963298834.db2.gz	OAXJHJUFWVWWLQ-LLVKDONJSA-N	-1	0	268.334	3.019	20	30		CGEDRM
C=CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1	ZINC001588721870	963304452	/nfs/dbraw/zinc/30/44/52/963304452.db2.gz	SUUVIPKNCBKWRF-CQSZACIVSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=C[C@H](Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-]	ZINC001588702140	963304902	/nfs/dbraw/zinc/30/49/02/963304902.db2.gz	KKRQDSWEGARDEE-JTQLQIEISA-N	-1	0	274.345	3.225	20	30		CGEDRM
C=C[C@H](Nc1cc(-c2nc(C)co2)ccc1C)C(=O)[O-]	ZINC001588702121	963306338	/nfs/dbraw/zinc/30/63/38/963306338.db2.gz	JSBIPKQHJBTXSG-LBPRGKRZSA-N	-1	0	272.304	3.010	20	30		CGEDRM
C=CCC1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CCCCC1	ZINC001588763502	963308094	/nfs/dbraw/zinc/30/80/94/963308094.db2.gz	UACQSVKGHOENFN-AWEZNQCLSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CC[C@H](Sc1ncnc2sc(C)cc21)C(=O)[O-]	ZINC001588757882	963309176	/nfs/dbraw/zinc/30/91/76/963309176.db2.gz	CFOCXBWVTSZOOH-VIFPVBQESA-N	-1	0	280.374	3.121	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-]	ZINC001588737654	963311423	/nfs/dbraw/zinc/31/14/23/963311423.db2.gz	PWXNXEUZSVAOLG-UHFFFAOYSA-N	-1	0	295.285	3.370	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O	ZINC001588732261	963313004	/nfs/dbraw/zinc/31/30/04/963313004.db2.gz	YATPMRWMTYVJCC-UHFFFAOYSA-N	-1	0	297.738	3.285	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC001588771464	963313732	/nfs/dbraw/zinc/31/37/32/963313732.db2.gz	VPTQMRRSWVEJSU-JTQLQIEISA-N	-1	0	294.376	3.266	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C1(CC)CCCCC1)C(=O)[O-]	ZINC001588789342	963314065	/nfs/dbraw/zinc/31/40/65/963314065.db2.gz	BDLBVNPXEMBFSP-ZDUSSCGKSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCCCC(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-]	ZINC001588782060	963314136	/nfs/dbraw/zinc/31/41/36/963314136.db2.gz	NSFIFVHNRNGHIK-BLLLJJGKSA-N	-1	0	287.359	3.021	20	30		CGEDRM
C=CCCCC(=O)N1CCCCc2cc(C(=O)[O-])ccc21	ZINC001588782082	963317749	/nfs/dbraw/zinc/31/77/49/963317749.db2.gz	OALYXMRUCWBABT-UHFFFAOYSA-N	-1	0	287.359	3.410	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cc(Cl)ccc1C)C(=O)[O-]	ZINC001588792436	963318143	/nfs/dbraw/zinc/31/81/43/963318143.db2.gz	HFXQGMAXJDEOOW-ZDUSSCGKSA-N	-1	0	295.766	3.188	20	30		CGEDRM
CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cncc(F)c1	ZINC001589016373	963346494	/nfs/dbraw/zinc/34/64/94/963346494.db2.gz	JMOWTASHTZUXDE-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
C#CCCCCCCOC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588441812	964053728	/nfs/dbraw/zinc/05/37/28/964053728.db2.gz	KQKOZIXNMNBHMH-KBPBESRZSA-N	-1	0	280.364	3.004	20	30		CGEDRM
CC[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)[O-]	ZINC001610185013	970696286	/nfs/dbraw/zinc/69/62/86/970696286.db2.gz	YDWFIVJABRUBTB-GFCCVEGCSA-N	-1	0	299.779	3.339	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C(C)C	ZINC000396352585	972861931	/nfs/dbraw/zinc/86/19/31/972861931.db2.gz	DBIOXVGCJKEZEJ-GFCCVEGCSA-N	-1	0	290.363	3.303	20	30		CGEDRM
CC(CCC(=O)[O-])N=Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC001592470067	978217018	/nfs/dbraw/zinc/21/70/18/978217018.db2.gz	GPDQDTKCDYEREQ-UHFFFAOYSA-N	-1	0	299.252	3.230	20	30		CGEDRM
C[C@H](CCC#N)Sc1nc2ccc(C(=O)[O-])cc2o1	ZINC001592471182	978229703	/nfs/dbraw/zinc/22/97/03/978229703.db2.gz	QMHCCCHVBKLUQJ-MRVPVSSYSA-N	-1	0	276.317	3.310	20	30		CGEDRM
CCCCCCCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001595704275	982273658	/nfs/dbraw/zinc/27/36/58/982273658.db2.gz	BGFKKFLPNCCIKA-UHFFFAOYSA-N	-1	0	295.339	3.379	20	30		CGEDRM
CCCCCCCNC(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC001595704401	982274521	/nfs/dbraw/zinc/27/45/21/982274521.db2.gz	KPIRMJIAMWGTQO-UHFFFAOYSA-N	-1	0	296.367	3.056	20	30		CGEDRM
CC[C@@H](C)[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)[O-]	ZINC001594922372	982476082	/nfs/dbraw/zinc/47/60/82/982476082.db2.gz	YPOIHJOWTSTVID-IUODEOHRSA-N	-1	0	290.363	3.280	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1	ZINC001599966154	985910641	/nfs/dbraw/zinc/91/06/41/985910641.db2.gz	IOLNJDWRXSNRHT-SREVYHEPSA-N	-1	0	294.310	3.399	20	30		CGEDRM
Cc1c(C#N)cccc1N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001599974414	986065197	/nfs/dbraw/zinc/06/51/97/986065197.db2.gz	BKULFENXMWALAK-VIFPVBQESA-N	-1	0	287.344	3.195	20	30		CGEDRM
CCc1[nH]c(CNc2cccc(C#N)c2C)cc1C(=O)[O-]	ZINC001597398533	987651728	/nfs/dbraw/zinc/65/17/28/987651728.db2.gz	MGTMYTPUUCDARV-UHFFFAOYSA-N	-1	0	283.331	3.068	20	30		CGEDRM
CCc1oc(CNc2cc(C)cc(C#N)c2)cc1C(=O)[O-]	ZINC001597804731	989408372	/nfs/dbraw/zinc/40/83/72/989408372.db2.gz	LCUJNHNRZNEJNT-UHFFFAOYSA-N	-1	0	284.315	3.332	20	30		CGEDRM
COC1(CC(C)N=Nc2ccc(C)c(C(=O)[O-])c2)CCC1	ZINC001599087223	997120379	/nfs/dbraw/zinc/12/03/79/997120379.db2.gz	DEILNBYSROSOOT-UHFFFAOYSA-N	-1	0	290.363	3.440	20	30		CGEDRM
COc1ccc(CNc2ccc(C(=O)[O-])c(C)c2)cc1C#N	ZINC001599573569	998405992	/nfs/dbraw/zinc/40/59/92/998405992.db2.gz	DCUVOLHIDVEIHQ-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
C[C@H]1C/C(=C\c2cc(C(=O)[O-])n(C)c2)C(=O)c2ccccc21	ZINC001594196649	998762294	/nfs/dbraw/zinc/76/22/94/998762294.db2.gz	LSWBTMLPSNYDRM-ZWSXMNCCSA-N	-1	0	295.338	3.497	20	30		CGEDRM
CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000329101649	529411030	/nfs/dbraw/zinc/41/10/30/529411030.db2.gz	NCUHIEXJBUUFTB-IAQYHMDHSA-N	-1	0	286.335	3.202	20	30		CGEDRM
CCc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000066516847	345298678	/nfs/dbraw/zinc/29/86/78/345298678.db2.gz	FABCQEOXQVZFMU-JTQLQIEISA-N	-1	0	295.298	3.177	20	30		CGEDRM
CCc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000068412948	345352757	/nfs/dbraw/zinc/35/27/57/345352757.db2.gz	QBXIQRKYWLQBPD-SECBINFHSA-N	-1	0	297.339	3.337	20	30		CGEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc21	ZINC000188313616	346262099	/nfs/dbraw/zinc/26/20/99/346262099.db2.gz	KXDDGTSGBYHUOF-LLVKDONJSA-N	-1	0	278.311	3.028	20	30		CGEDRM
C[C@H](CC#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000597460474	347576225	/nfs/dbraw/zinc/57/62/25/347576225.db2.gz	ROHGETHYSVWYLW-ZCFIWIBFSA-N	-1	0	273.119	3.187	20	30		CGEDRM
CC1(C)CCC[C@H]1n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000601943969	347927867	/nfs/dbraw/zinc/92/78/67/347927867.db2.gz	AQZUJFBXVXWFAW-OAHLLOKOSA-N	-1	0	281.359	3.073	20	30		CGEDRM
Cc1sc(/C=C\c2ccccc2C#N)nc1C(=O)[O-]	ZINC000352035210	219296856	/nfs/dbraw/zinc/29/68/56/219296856.db2.gz	NMCBNQIWFUWZEB-SREVYHEPSA-N	-1	0	270.313	3.192	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000628490861	350558198	/nfs/dbraw/zinc/55/81/98/350558198.db2.gz	IBOLJVNKFMQQDT-VIFPVBQESA-N	-1	0	283.730	3.223	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630203725	350817237	/nfs/dbraw/zinc/81/72/37/350817237.db2.gz	DMHLZFNSWKYDGY-NEPJUHHUSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000630263842	350819843	/nfs/dbraw/zinc/81/98/43/350819843.db2.gz	ARGKPHQIMOVJLN-HNNXBMFYSA-N	-1	0	293.407	3.152	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-]	ZINC000630322781	350823418	/nfs/dbraw/zinc/82/34/18/350823418.db2.gz	WIMLITVMIXAYPF-HNNXBMFYSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630325059	350823904	/nfs/dbraw/zinc/82/39/04/350823904.db2.gz	GWURIHQBIJVZAK-DZGCQCFKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C(C)CN(C)C(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634907853	351602500	/nfs/dbraw/zinc/60/25/00/351602500.db2.gz	VUINJZYTZUQDCM-INIZCTEOSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)CC(CC)(CC)C(=O)[O-]	ZINC000634933053	351605866	/nfs/dbraw/zinc/60/58/66/351605866.db2.gz	ONUVVUBUUVKUOH-UHFFFAOYSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CCCC1(C)C	ZINC000634936901	351606686	/nfs/dbraw/zinc/60/66/86/351606686.db2.gz	WCRPXXJPXMQKSQ-MCIONIFRSA-N	-1	0	293.407	3.081	20	30		CGEDRM
N#Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1[O-])CC2	ZINC000336371209	213224611	/nfs/dbraw/zinc/22/46/11/213224611.db2.gz	HMSCDMFJIGBOBX-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
N#Cc1ccc(/C=C/c2ccc(C(=O)[O-])cc2Cl)nc1	ZINC000342186857	216251940	/nfs/dbraw/zinc/25/19/40/216251940.db2.gz	FCPBIZLIFBQKNR-GQCTYLIASA-N	-1	0	284.702	3.475	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc([O-])c(Cl)c1	ZINC000019839056	368770431	/nfs/dbraw/zinc/77/04/31/368770431.db2.gz	QXAIFSVFXHVLJZ-UHFFFAOYSA-N	-1	0	253.729	3.084	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1F	ZINC000051637647	369452307	/nfs/dbraw/zinc/45/23/07/369452307.db2.gz	JUIRLBQBVNUQKQ-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000424751586	372097745	/nfs/dbraw/zinc/09/77/45/372097745.db2.gz	JFOUGHMVTHXACC-UHFFFAOYSA-N	-1	0	298.726	3.495	20	30		CGEDRM
CC(C)ONC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000296768420	373239672	/nfs/dbraw/zinc/23/96/72/373239672.db2.gz	HGTHDSKPYPIGRS-UHFFFAOYSA-N	-1	0	287.241	3.039	20	30		CGEDRM
N#Cc1ccc(/C=C/c2ncc(C(=O)[O-])s2)c(F)c1	ZINC000448115519	373550280	/nfs/dbraw/zinc/55/02/80/373550280.db2.gz	FQNVUVHTQGKWGK-ONEGZZNKSA-N	-1	0	274.276	3.022	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000186717099	374906461	/nfs/dbraw/zinc/90/64/61/374906461.db2.gz	JGNFNAWZBGCPPO-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc3ncccc32)cc1[O-]	ZINC000188220286	375179366	/nfs/dbraw/zinc/17/93/66/375179366.db2.gz	XUZIPTNSMCXZNE-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000192846995	375794600	/nfs/dbraw/zinc/79/46/00/375794600.db2.gz	QULOGKWLAVYBCD-BXUZGUMPSA-N	-1	0	293.338	3.060	20	30		CGEDRM
Cc1ccsc1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000738800331	572393795	/nfs/dbraw/zinc/39/37/95/572393795.db2.gz	SINSBEWGFKRUAX-RQOWECAXSA-N	-1	0	262.286	3.244	20	30		CGEDRM
CC(C)c1nc(/C=C\c2ccc(C#N)cc2)ncc1C(=O)[O-]	ZINC000255314809	377749932	/nfs/dbraw/zinc/74/99/32/377749932.db2.gz	NIGLNUWKLDMIAI-FPLPWBNLSA-N	-1	0	293.326	3.340	20	30		CGEDRM
CC(C)c1nc(/C=C\c2cccc(C#N)c2)ncc1C(=O)[O-]	ZINC000255313213	377750214	/nfs/dbraw/zinc/75/02/14/377750214.db2.gz	RXINJWAWARLYDZ-SREVYHEPSA-N	-1	0	293.326	3.340	20	30		CGEDRM
C=CCC(CC=C)C(=O)NCCCCCCCC(=O)[O-]	ZINC000271971677	378533518	/nfs/dbraw/zinc/53/35/18/378533518.db2.gz	RALQQEWUCNAFTO-UHFFFAOYSA-N	-1	0	281.396	3.296	20	30		CGEDRM
C=CCCCCNC(=O)c1ccc([O-])c(Cl)c1	ZINC000274714972	378881675	/nfs/dbraw/zinc/88/16/75/378881675.db2.gz	RGMXUYKSSTXHAA-UHFFFAOYSA-N	-1	0	253.729	3.132	20	30		CGEDRM
C[C@@H](CC#N)N(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000093090794	392234309	/nfs/dbraw/zinc/23/43/09/392234309.db2.gz	QDNYRVTUPJQINQ-QMMMGPOBSA-N	-1	0	273.163	3.433	20	30		CGEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@H]1C[C@@]12CCOC2	ZINC000329654917	392690288	/nfs/dbraw/zinc/69/02/88/392690288.db2.gz	LWQUPBPVTFHBAA-JMCQJSRRSA-N	-1	0	280.374	3.372	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000649258183	393387529	/nfs/dbraw/zinc/38/75/29/393387529.db2.gz	KNGBGFZXUOVXKW-UHFFFAOYSA-N	-1	0	299.370	3.038	20	30		CGEDRM
C=CC[C@H]1N(C(=O)CC2(C(=O)[O-])CCC2)CCCC1(C)C	ZINC000668321180	543006008	/nfs/dbraw/zinc/00/60/08/543006008.db2.gz	NZNHBXRVWCSPQE-CYBMUJFWSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=CC[C@H]1N(C(=O)CC(C)(C)CC(=O)[O-])CCCC1(C)C	ZINC000668320967	543006353	/nfs/dbraw/zinc/00/63/53/543006353.db2.gz	LDMLQVYSRNMBMY-CYBMUJFWSA-N	-1	0	295.423	3.471	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C)c2)n1	ZINC000671745093	543184214	/nfs/dbraw/zinc/18/42/14/543184214.db2.gz	PRNXLBCTXNAEBL-SNVBAGLBSA-N	-1	0	262.359	3.312	20	30		CGEDRM
N#Cc1ccc(NCc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000036886350	397607044	/nfs/dbraw/zinc/60/70/44/397607044.db2.gz	ZHTSNCVGDAEICB-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#CC(=C([O-])c1ccc(-c2ccco2)s1)c1ccncn1	ZINC000680618377	543720123	/nfs/dbraw/zinc/72/01/23/543720123.db2.gz	PIWQONHTJUFBEM-JTQLQIEISA-N	-1	0	295.323	3.288	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)CCCCC#N)c1	ZINC000655098232	419021310	/nfs/dbraw/zinc/02/13/10/419021310.db2.gz	MGIUISMYBWCBKG-UHFFFAOYSA-N	-1	0	274.320	3.007	20	30		CGEDRM
CC1(C)C(C(=O)[N-]S(=O)(=O)c2cccs2)C1(C)C	ZINC000080250518	260179042	/nfs/dbraw/zinc/17/90/42/260179042.db2.gz	IZJLWXCNZVCOKK-UHFFFAOYSA-N	-1	0	287.406	3.076	20	30		CGEDRM
CC1(C)CCCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H]1C#N	ZINC000277623170	263042490	/nfs/dbraw/zinc/04/24/90/263042490.db2.gz	WMDAGQJPVFERKS-CYBMUJFWSA-N	-1	0	292.766	3.200	20	30		CGEDRM
C=C(CN=c1[n-]nc(-c2ccccn2)s1)c1ccccc1	ZINC000340874954	263310456	/nfs/dbraw/zinc/31/04/56/263310456.db2.gz	LAVMXVXUJQFNHI-UHFFFAOYSA-N	-1	0	294.383	3.147	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000263259180	277782922	/nfs/dbraw/zinc/78/29/22/277782922.db2.gz	JHMFBEKVFXIKEW-GXFFZTMASA-N	-1	0	295.766	3.184	20	30		CGEDRM
Cc1nc(N=NCc2ccccc2Cl)sc1C(=O)[O-]	ZINC000738865463	572866575	/nfs/dbraw/zinc/86/65/75/572866575.db2.gz	OWGYIXXTJFHDHB-UHFFFAOYSA-N	-1	0	295.751	3.249	20	30		CGEDRM
CC(C)c1nc(=N[C@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000567249996	322156213	/nfs/dbraw/zinc/15/62/13/322156213.db2.gz	DJUOSIDRQMEGHO-AWEZNQCLSA-N	-1	0	298.415	3.445	20	30		CGEDRM
C=C(C)[C@@H]1OCC[C@H]1CN=c1nc(C2CCCC2)[n-]s1	ZINC000420621320	329779213	/nfs/dbraw/zinc/77/92/13/329779213.db2.gz	FQFXKZSWNDUCHW-STQMWFEESA-N	-1	0	293.436	3.011	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000262771988	330030408	/nfs/dbraw/zinc/03/04/08/330030408.db2.gz	AIQIJZCFGOVZRI-HNNXBMFYSA-N	-1	0	287.359	3.103	20	30		CGEDRM
CC#CCCSc1n[n-]c(=Nc2ccccc2F)s1	ZINC000462383454	331320931	/nfs/dbraw/zinc/32/09/31/331320931.db2.gz	JYFVGNUHOXXFOO-UHFFFAOYSA-N	-1	0	293.392	3.348	20	30		CGEDRM
C/C(Cl)=C/Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000530160246	333526156	/nfs/dbraw/zinc/52/61/56/333526156.db2.gz	HPCXJCWZFJLJBO-YFHOEESVSA-N	-1	0	281.787	3.485	20	30		CGEDRM
C=CC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000576351463	335193158	/nfs/dbraw/zinc/19/31/58/335193158.db2.gz	YEEMYZBWVHBFHC-UHFFFAOYSA-N	-1	0	278.308	3.226	20	30		CGEDRM
Cc1oc(C#N)cc1-c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000350614603	335520879	/nfs/dbraw/zinc/52/08/79/335520879.db2.gz	VMAFNJSUBDNDPZ-UHFFFAOYSA-N	-1	0	285.234	3.021	20	30		CGEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)cc2C)c1	ZINC000436679199	527322043	/nfs/dbraw/zinc/32/20/43/527322043.db2.gz	JOHVNNFJOTVNJK-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2)ccc1F	ZINC000738426231	571742226	/nfs/dbraw/zinc/74/22/26/571742226.db2.gz	WJADMDWZHLJOSM-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000738493836	571805119	/nfs/dbraw/zinc/80/51/19/571805119.db2.gz	SREZLDDSQCPNMW-ZIAGYGMSSA-N	-1	0	296.411	3.018	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cccnc2Cl)cs1	ZINC000730148641	571951585	/nfs/dbraw/zinc/95/15/85/571951585.db2.gz	IRUQMZKPNDPLKF-ARJAWSKDSA-N	-1	0	293.731	3.391	20	30		CGEDRM
N#Cc1ccc([C@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000739111075	572402559	/nfs/dbraw/zinc/40/25/59/572402559.db2.gz	UOTFRQYAUWMXIH-AWEZNQCLSA-N	-1	0	286.718	3.449	20	30		CGEDRM
N#Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)cc1	ZINC000739121918	572402606	/nfs/dbraw/zinc/40/26/06/572402606.db2.gz	ZHUPYCBJPLSYQR-UHFFFAOYSA-N	-1	0	281.315	3.303	20	30		CGEDRM
CCNC(=S)[N-]c1ccccc1S[C@H](C)CC#N	ZINC000731318834	572407617	/nfs/dbraw/zinc/40/76/17/572407617.db2.gz	DLTDNNNTFPTQRW-SNVBAGLBSA-N	-1	0	279.434	3.387	20	30		CGEDRM
C=CCCSCCOc1cccc(C(=O)[O-])c1	ZINC000736108123	572767959	/nfs/dbraw/zinc/76/79/59/572767959.db2.gz	KPDKJRSTFCKQAP-UHFFFAOYSA-N	-1	0	252.335	3.073	20	30		CGEDRM
C#Cc1cccc(N(Cc2cccs2)C(=O)[O-])c1	ZINC000736090561	572767971	/nfs/dbraw/zinc/76/79/71/572767971.db2.gz	CDOCXDGSMAZCHR-UHFFFAOYSA-N	-1	0	257.314	3.414	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCc3ccccc3C2)cc1	ZINC000745843518	572838483	/nfs/dbraw/zinc/83/84/83/572838483.db2.gz	MTUIDKFATGBTAG-UHFFFAOYSA-N	-1	0	280.327	3.342	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410468	572975892	/nfs/dbraw/zinc/97/58/92/572975892.db2.gz	NEIQHEAWCKXOHO-DGCLKSJQSA-N	-1	0	272.348	3.419	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccsc1	ZINC000749098678	572989158	/nfs/dbraw/zinc/98/91/58/572989158.db2.gz	FQDJJFZXDNBUQD-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
CC(=NNc1ccc(C)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749602771	573021390	/nfs/dbraw/zinc/02/13/90/573021390.db2.gz	AUHTWJXXPAIEMC-UHFFFAOYSA-N	-1	0	285.303	3.445	20	30		CGEDRM
CCn1nc(C)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1C	ZINC000774126290	598201603	/nfs/dbraw/zinc/20/16/03/598201603.db2.gz	IJOJVICRQKHHQK-HJWRWDBZSA-N	-1	0	298.342	3.114	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000059104129	600021149	/nfs/dbraw/zinc/02/11/49/600021149.db2.gz	APEQBLDSEANLAB-ZDUSSCGKSA-N	-1	0	269.385	3.060	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000110989514	601139079	/nfs/dbraw/zinc/13/90/79/601139079.db2.gz	WKJNOWUZFCLSPU-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C)cc2Cl)c1=O	ZINC000899348658	620651212	/nfs/dbraw/zinc/65/12/12/620651212.db2.gz	GKZXUZLHQPLSAM-NSHDSACASA-N	-1	0	260.724	3.010	20	30		CGEDRM
CSc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000832774521	601792270	/nfs/dbraw/zinc/79/22/70/601792270.db2.gz	NGRYHMJCXGTOGR-UQCOIBPSSA-N	-1	0	287.340	3.331	20	30		CGEDRM
N#Cc1ccc(SCc2ccc(C(=O)[O-])s2)nc1	ZINC000833074286	601849211	/nfs/dbraw/zinc/84/92/11/601849211.db2.gz	UFWASOGTLVWJON-UHFFFAOYSA-N	-1	0	276.342	3.005	20	30		CGEDRM
N#Cc1cccc(Cl)c1NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000831146239	603183585	/nfs/dbraw/zinc/18/35/85/603183585.db2.gz	MGXSNWKOIILKAN-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1NC(=O)[O-]	ZINC000830233647	603220526	/nfs/dbraw/zinc/22/05/26/603220526.db2.gz	DNPFUXFSACFJLC-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
N#Cc1ccc(CNc2cccc3c2CCN3C(=O)[O-])s1	ZINC000831126518	604022020	/nfs/dbraw/zinc/02/20/20/604022020.db2.gz	IKZPOCUAZFMUQE-UHFFFAOYSA-N	-1	0	299.355	3.272	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000255732482	604396635	/nfs/dbraw/zinc/39/66/35/604396635.db2.gz	INXDZXJMHLJBHK-DAXSKMNVSA-N	-1	0	256.257	3.182	20	30		CGEDRM
CC(=O)c1ccc(OCc2cccc(C(=O)[O-])c2C#N)cc1	ZINC000833401972	604546282	/nfs/dbraw/zinc/54/62/82/604546282.db2.gz	WNMOHSBGGHWMIN-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
C[C@H]1CC/C(=C/C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833600263	604584208	/nfs/dbraw/zinc/58/42/08/604584208.db2.gz	CVPVUMFLBYNADA-LCFDYFRESA-N	-1	0	299.326	3.046	20	30		CGEDRM
C[C@@H](c1ccco1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833550994	604604442	/nfs/dbraw/zinc/60/44/42/604604442.db2.gz	ZWEVIILEAJWBPI-NSHDSACASA-N	-1	0	284.315	3.042	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccs2)cc1	ZINC000144463056	604626102	/nfs/dbraw/zinc/62/61/02/604626102.db2.gz	ALCQWAKFHWLOGJ-BQYQJAHWSA-N	-1	0	258.298	3.342	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccnc2Cl)cc1	ZINC000833309868	604628172	/nfs/dbraw/zinc/62/81/72/604628172.db2.gz	HNWNTMRDZWLUIO-FPLPWBNLSA-N	-1	0	287.702	3.329	20	30		CGEDRM
C#CCOc1ccc(CNc2cccc(NC(=O)[O-])c2)cc1	ZINC000825631988	604643517	/nfs/dbraw/zinc/64/35/17/604643517.db2.gz	PTYRKEKIVKCBFD-UHFFFAOYSA-N	-1	0	296.326	3.401	20	30		CGEDRM
CCCOc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763376326	604669102	/nfs/dbraw/zinc/66/91/02/604669102.db2.gz	DWYJLNLKUJTVET-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
C#CCCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000833362623	605018702	/nfs/dbraw/zinc/01/87/02/605018702.db2.gz	BAMPLAYSTJAEGI-CQSZACIVSA-N	-1	0	294.734	3.203	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833374062	605021852	/nfs/dbraw/zinc/02/18/52/605021852.db2.gz	PRHZYFJACORLOA-XQQFMLRXSA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000398221809	605057065	/nfs/dbraw/zinc/05/70/65/605057065.db2.gz	ODPKNIXDWZPQGI-NSHDSACASA-N	-1	0	276.336	3.251	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000398106265	605057533	/nfs/dbraw/zinc/05/75/33/605057533.db2.gz	VTOXKRINAWIMBO-SNVBAGLBSA-N	-1	0	294.326	3.390	20	30		CGEDRM
C=CCc1ccccc1OC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833379923	605116343	/nfs/dbraw/zinc/11/63/43/605116343.db2.gz	QFNIIUNCHUSHKR-UHFFFAOYSA-N	-1	0	288.343	3.212	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)C(C)C	ZINC000833375449	605282422	/nfs/dbraw/zinc/28/24/22/605282422.db2.gz	YDSSAQWLJUZSKV-UHFFFAOYSA-N	-1	0	295.314	3.344	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C	ZINC000826820352	605740054	/nfs/dbraw/zinc/74/00/54/605740054.db2.gz	LULQCKUCRBMYFS-UONOGXRCSA-N	-1	0	298.427	3.384	20	30		CGEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(C#N)cc1	ZINC000833905998	606005337	/nfs/dbraw/zinc/00/53/37/606005337.db2.gz	GHORAXRKADMUKH-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2cccs2)c1	ZINC000042243937	620710180	/nfs/dbraw/zinc/71/01/80/620710180.db2.gz	HGBTWFCCSPFKBJ-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)cc1	ZINC000049417943	617607929	/nfs/dbraw/zinc/60/79/29/617607929.db2.gz	FVKZYTYGEUECPK-UHFFFAOYSA-N	-1	0	283.393	3.027	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501591	617611359	/nfs/dbraw/zinc/61/13/59/617611359.db2.gz	RYMOUGVPVJDZHH-UHFFFAOYSA-N	-1	0	291.372	3.226	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c(C)s1	ZINC000049501661	617611499	/nfs/dbraw/zinc/61/14/99/617611499.db2.gz	XXJUWGOFENWHIZ-LLVKDONJSA-N	-1	0	299.417	3.366	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)c1ccc(C(F)(F)F)c(O)c1	ZINC000890551926	617636439	/nfs/dbraw/zinc/63/64/39/617636439.db2.gz	FOPVDFZMTFIXDZ-JTQLQIEISA-N	-1	0	285.265	3.202	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000806558834	617719976	/nfs/dbraw/zinc/71/99/76/617719976.db2.gz	NBQFRVMURGRYRW-HJWRWDBZSA-N	-1	0	277.279	3.153	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Cc3nc(Cl)ccc3C2=O)c1	ZINC000806578009	617803017	/nfs/dbraw/zinc/80/30/17/617803017.db2.gz	KGTSRDISLHULJO-YRNVUSSQSA-N	-1	0	299.713	3.256	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1cc(Cl)c(O)c(OC)c1	ZINC000890814769	617870876	/nfs/dbraw/zinc/87/08/76/617870876.db2.gz	FWCVHROWRVFWGE-UHFFFAOYSA-N	-1	0	297.782	3.483	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2o1	ZINC000255217508	618093579	/nfs/dbraw/zinc/09/35/79/618093579.db2.gz	PUJZITVCNWTLQW-WSROAFLRSA-N	-1	0	289.294	3.112	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccc(F)cc2)c1	ZINC000022727207	618357008	/nfs/dbraw/zinc/35/70/08/618357008.db2.gz	UUFPKAUVDMHQPP-LICLKQGHSA-N	-1	0	288.278	3.101	20	30		CGEDRM
O=C(/C=C\c1ccc(O)cc1)c1ccc([O-])c(F)c1	ZINC000255545607	618662646	/nfs/dbraw/zinc/66/26/46/618662646.db2.gz	ODNUAYRAJSUPLD-CLTKARDFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
Cc1ccccc1SCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176821737	618740405	/nfs/dbraw/zinc/74/04/05/618740405.db2.gz	YKEXGAIDZKCLNR-UHFFFAOYSA-N	-1	0	298.367	3.303	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1	ZINC000255919111	618885063	/nfs/dbraw/zinc/88/50/63/618885063.db2.gz	VHZOGVRUJOXLQL-UTCJRWHESA-N	-1	0	285.249	3.438	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1	ZINC000909332154	619146836	/nfs/dbraw/zinc/14/68/36/619146836.db2.gz	NKDYPTVERFCHJL-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048517986	619502396	/nfs/dbraw/zinc/50/23/96/619502396.db2.gz	OCQZNZXOLGNDSV-UHFFFAOYSA-N	-1	0	285.340	3.051	20	30		CGEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518907	619503075	/nfs/dbraw/zinc/50/30/75/619503075.db2.gz	ZUVADAOTLBIRHM-JTQLQIEISA-N	-1	0	299.779	3.342	20	30		CGEDRM
N#CC[C@H](NCc1cc(Cl)c(F)cc1[O-])C(F)(F)F	ZINC000896698730	620048487	/nfs/dbraw/zinc/04/84/87/620048487.db2.gz	KKVWZPJXAONMMR-JTQLQIEISA-N	-1	0	296.651	3.119	20	30		CGEDRM
N#CC[C@H](NCc1cc(Cl)cc(F)c1[O-])C(F)(F)F	ZINC000896697941	620048725	/nfs/dbraw/zinc/04/87/25/620048725.db2.gz	CYJHUOJYXMCQEQ-VIFPVBQESA-N	-1	0	296.651	3.119	20	30		CGEDRM
O=C([O-])COc1cccc(C(=O)/C=C/c2ccsc2)c1	ZINC000008322910	620372384	/nfs/dbraw/zinc/37/23/84/620372384.db2.gz	WZMZJPYMOKRDKF-SNAWJCMRSA-N	-1	0	288.324	3.108	20	30		CGEDRM
C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCS1	ZINC000899227481	620626760	/nfs/dbraw/zinc/62/67/60/620626760.db2.gz	MDZIQGCVDVWRCV-QXFRVOFRSA-N	-1	0	280.349	3.003	20	30		CGEDRM
C#Cc1cccc(NC2CCC(CC(=O)[O-])CC2)c1	ZINC000901452672	620885864	/nfs/dbraw/zinc/88/58/64/620885864.db2.gz	ZALQZHJXKRSSEC-UHFFFAOYSA-N	-1	0	257.333	3.113	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000901476768	620891624	/nfs/dbraw/zinc/89/16/24/620891624.db2.gz	IOLPBJOKYJCPDJ-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
Cc1ccc(C(=O)C=Cc2nc(C(C)C)c[nH]2)c([O-])c1	ZINC000901483656	620908584	/nfs/dbraw/zinc/90/85/84/620908584.db2.gz	TXGZUBQRJCKPTO-VOTSOKGWSA-N	-1	0	270.332	3.443	20	30		CGEDRM
O=c1[n-]c(N=NC2C[C@H]3CCC[C@H]3C2)nc2ccccc21	ZINC000905454799	622077179	/nfs/dbraw/zinc/07/71/79/622077179.db2.gz	QEAXZVQOCUPXRF-PHIMTYICSA-N	-1	0	282.347	3.313	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000907547354	622301047	/nfs/dbraw/zinc/30/10/47/622301047.db2.gz	RMBGPGWPOJUYLM-BXUZGUMPSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=CC1(CC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CCCCC1	ZINC000907680934	622307274	/nfs/dbraw/zinc/30/72/74/622307274.db2.gz	DHNPJYHYZAUEJB-MRXNPFEDSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CC1(CC(=O)N2CCC[C@](C)(C(=O)[O-])C2)CCCCC1	ZINC000907680933	622307336	/nfs/dbraw/zinc/30/73/36/622307336.db2.gz	DHNPJYHYZAUEJB-INIZCTEOSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C1CCC(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000909000668	622382943	/nfs/dbraw/zinc/38/29/43/622382943.db2.gz	BNWCIQOUVZJOHY-OAHLLOKOSA-N	-1	0	287.359	3.017	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000910196951	622465412	/nfs/dbraw/zinc/46/54/12/622465412.db2.gz	FNEGNSOYDHHVBQ-UHFFFAOYSA-N	-1	0	286.331	3.407	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1F	ZINC000916240685	624125513	/nfs/dbraw/zinc/12/55/13/624125513.db2.gz	KKDVNHKIBCAXBU-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
Cc1noc(C)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916259272	624127794	/nfs/dbraw/zinc/12/77/94/624127794.db2.gz	AKOPFRTXPPKTHX-UHFFFAOYSA-N	-1	0	293.710	3.089	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])sc1C)OCC	ZINC000923096132	626130341	/nfs/dbraw/zinc/13/03/41/626130341.db2.gz	UKFDWJILXWUWCJ-LLVKDONJSA-N	-1	0	297.376	3.065	20	30		CGEDRM
C=C(C)COC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC000923132629	626132464	/nfs/dbraw/zinc/13/24/64/626132464.db2.gz	YNPPUWRAFQPKPV-UHFFFAOYSA-N	-1	0	298.364	3.223	20	30		CGEDRM
N#Cc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000839384000	626342978	/nfs/dbraw/zinc/34/29/78/626342978.db2.gz	SETXENJSJFWIDC-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CCCC(=O)[O-])c1ccccc1	ZINC000753967972	626470346	/nfs/dbraw/zinc/47/03/46/626470346.db2.gz	NJGQSJHQOCBHSS-CQSZACIVSA-N	-1	0	275.348	3.065	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1C#N	ZINC000757476325	626782017	/nfs/dbraw/zinc/78/20/17/626782017.db2.gz	PUAISMVWOIFNSL-QPJJXVBHSA-N	-1	0	293.322	3.477	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc3cnccc32)c1	ZINC000759712576	626916994	/nfs/dbraw/zinc/91/69/94/626916994.db2.gz	AGLINFSCZKSTJD-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc[nH]1	ZINC000760227912	626945892	/nfs/dbraw/zinc/94/58/92/626945892.db2.gz	BWDVZPQFUMDOEJ-QWFSEIHXSA-N	-1	0	293.710	3.462	20	30		CGEDRM
CC(N=Nc1ncccc1Cl)c1cccc(C(=O)[O-])c1	ZINC000764682945	627218110	/nfs/dbraw/zinc/21/81/10/627218110.db2.gz	PELZFWIZMWSYKA-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
C[C@H](CCC#N)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000765992235	627284444	/nfs/dbraw/zinc/28/44/44/627284444.db2.gz	IYRAGCWOFYTGBN-SECBINFHSA-N	-1	0	279.727	3.376	20	30		CGEDRM
Cc1cccc2c1[C@H](C)CC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000766716099	627354936	/nfs/dbraw/zinc/35/49/36/627354936.db2.gz	PYMZNVZMHZROOX-LLVKDONJSA-N	-1	0	295.342	3.412	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000768356010	627475791	/nfs/dbraw/zinc/47/57/91/627475791.db2.gz	VHFFTPQNDLXOCG-RKDXNWHRSA-N	-1	0	268.748	3.060	20	30		CGEDRM
C[C@@H]1CCC[C@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000768356005	627475952	/nfs/dbraw/zinc/47/59/52/627475952.db2.gz	VHFFTPQNDLXOCG-BDAKNGLRSA-N	-1	0	268.748	3.060	20	30		CGEDRM
CC(=NNCc1cccc(Cl)c1)c1ccc(C(=O)[O-])o1	ZINC000773060225	627847908	/nfs/dbraw/zinc/84/79/08/627847908.db2.gz	VRAHFJHZSGBVSE-UHFFFAOYSA-N	-1	0	292.722	3.145	20	30		CGEDRM
COc1c(O)cccc1C=CC(=O)c1sccc1[O-]	ZINC000773151974	627862949	/nfs/dbraw/zinc/86/29/49/627862949.db2.gz	ZDAVFLJVXLVNDW-WAYWQWQTSA-N	-1	0	276.313	3.064	20	30		CGEDRM
Cn1cnc2cc(C=CC(=O)c3sccc3[O-])ccc21	ZINC000773151806	627863090	/nfs/dbraw/zinc/86/30/90/627863090.db2.gz	YFUXZLNFIUHKEN-HYXAFXHYSA-N	-1	0	284.340	3.237	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774136317	627949421	/nfs/dbraw/zinc/94/94/21/627949421.db2.gz	VRTRVDFSIOJNKG-SREVYHEPSA-N	-1	0	281.311	3.238	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NOC2CCOCC2)cc1Cl	ZINC000774456427	627992732	/nfs/dbraw/zinc/99/27/32/627992732.db2.gz	DQINDVZENVPCAJ-UHFFFAOYSA-N	-1	0	290.146	3.229	20	30		CGEDRM
C=C(C)[C@H]([N-]C(=O)C(F)(F)F)c1ccc(F)c(F)c1	ZINC000774541188	628004304	/nfs/dbraw/zinc/00/43/04/628004304.db2.gz	QUHZONCCRDCPPL-JTQLQIEISA-N	-1	0	279.208	3.261	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cccc3cc[nH]c32)c1	ZINC000786028284	628907913	/nfs/dbraw/zinc/90/79/13/628907913.db2.gz	UGMTXWZPOHCOAN-YVLHZVERSA-N	-1	0	295.298	3.401	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cncs2)c1Cl	ZINC000787171618	628999966	/nfs/dbraw/zinc/99/99/66/628999966.db2.gz	CNRDGPKJUAIINQ-PLNGDYQASA-N	-1	0	293.731	3.391	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000787680570	629021986	/nfs/dbraw/zinc/02/19/86/629021986.db2.gz	HZZNSPCNWZSVGE-NSHDSACASA-N	-1	0	288.372	3.297	20	30		CGEDRM
Cc1cccnc1N=NC1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000789055219	629100298	/nfs/dbraw/zinc/10/02/98/629100298.db2.gz	VCVXTJDQUKWXTL-CQSZACIVSA-N	-1	0	295.342	3.168	20	30		CGEDRM
CC(=NNc1nccn1C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000790299615	629200834	/nfs/dbraw/zinc/20/08/34/629200834.db2.gz	GIBQNARKWCZWGH-UHFFFAOYSA-N	-1	0	299.161	3.269	20	30		CGEDRM
C[C@@]1(C#N)CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000792173375	629344601	/nfs/dbraw/zinc/34/46/01/629344601.db2.gz	DVLHLDFJOVGZDR-AWEZNQCLSA-N	-1	0	282.746	3.310	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@@H](C(C)(C)C)CC1)C(=O)[O-]	ZINC000793056877	629406549	/nfs/dbraw/zinc/40/65/49/629406549.db2.gz	YFCWQGWTYIDYQG-DGCLKSJQSA-N	-1	0	268.401	3.422	20	30		CGEDRM
CC[C@@H](NN=CC1CCC(C(C)(C)C)CC1)C(=O)[O-]	ZINC000793072713	629408028	/nfs/dbraw/zinc/40/80/28/629408028.db2.gz	VSXKOLLFQUKCCP-WXRRBKDZSA-N	-1	0	268.401	3.278	20	30		CGEDRM
Oc1ccc(F)cc1C=NNc1cccc(Cl)n1	ZINC000793163042	629419804	/nfs/dbraw/zinc/41/98/04/629419804.db2.gz	WIPCSWGPXSISAN-UHFFFAOYSA-N	-1	0	265.675	3.026	20	30		CGEDRM
O=C(/C=C/c1c(F)ccc(O)c1F)c1cc(F)ccc1[O-]	ZINC000794941020	629603442	/nfs/dbraw/zinc/60/34/42/629603442.db2.gz	IOPWQXJINTXCPL-GORDUTHDSA-N	-1	0	294.228	3.411	20	30		CGEDRM
C#CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)C1CCCCC1	ZINC000864106663	629776931	/nfs/dbraw/zinc/77/69/31/629776931.db2.gz	JDYUHRSCNZUKHM-UHFFFAOYSA-N	-1	0	299.370	3.101	20	30		CGEDRM
CCCCCCCNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000864158657	629788283	/nfs/dbraw/zinc/78/82/83/629788283.db2.gz	FAUVFQWDAGRUFJ-UHFFFAOYSA-N	-1	0	277.364	3.014	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C(=O)[O-]	ZINC000864186810	629794417	/nfs/dbraw/zinc/79/44/17/629794417.db2.gz	XYTTVBMMLGUPPE-NWDGAFQWSA-N	-1	0	289.803	3.161	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000864187800	629795062	/nfs/dbraw/zinc/79/50/62/629795062.db2.gz	OWCPOPVGUYJYQE-CYBMUJFWSA-N	-1	0	279.380	3.049	20	30		CGEDRM
N#CC1CCC(CNC(=O)c2cccc(Cl)c2[O-])CC1	ZINC000799735322	630228031	/nfs/dbraw/zinc/22/80/31/630228031.db2.gz	OTBQMTXNEKDPBR-UHFFFAOYSA-N	-1	0	292.766	3.105	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1(SC)CCC1	ZINC000800815054	630301773	/nfs/dbraw/zinc/30/17/73/630301773.db2.gz	KCCAVHYTAGYKPD-UHFFFAOYSA-N	-1	0	294.376	3.077	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000806558885	630566928	/nfs/dbraw/zinc/56/69/28/630566928.db2.gz	OLLLLUNSHFMFJG-JXMROGBWSA-N	-1	0	282.295	3.290	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)c2ccccc21	ZINC000807981816	630610967	/nfs/dbraw/zinc/61/09/67/630610967.db2.gz	MXLJCDHLAMLINM-JTQLQIEISA-N	-1	0	281.315	3.103	20	30		CGEDRM
CCC(=NOC1CCC1)c1cc(C(=O)[O-])ccc1F	ZINC000812237163	631227353	/nfs/dbraw/zinc/22/73/53/631227353.db2.gz	MVFOVYYUBRBQLF-UHFFFAOYSA-N	-1	0	265.284	3.207	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](CC)Oc1ccccc1C(C)C	ZINC000837046892	634847796	/nfs/dbraw/zinc/84/77/96/634847796.db2.gz	RWGLJNRHIHEMFD-AWEZNQCLSA-N	-1	0	277.364	3.201	20	30		CGEDRM
CC(=NNc1ccccc1)c1cc(C(=O)[O-])cs1	ZINC000814684337	631621652	/nfs/dbraw/zinc/62/16/52/631621652.db2.gz	NYYUYGGJPTYBMT-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
CCC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1cccc(N)c1	ZINC000814687892	631624413	/nfs/dbraw/zinc/62/44/13/631624413.db2.gz	XOUQLNJOIZORGQ-UHFFFAOYSA-N	-1	0	283.331	3.193	20	30		CGEDRM
O=C([O-])c1ccccc1N=NCc1cccc2cc[nH]c21	ZINC000814768730	631635282	/nfs/dbraw/zinc/63/52/82/631635282.db2.gz	KJWNVZKCQRVEMB-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814815348	631647727	/nfs/dbraw/zinc/64/77/27/631647727.db2.gz	UYJWDNJRWZMGHC-UWVGGRQHSA-N	-1	0	264.300	3.114	20	30		CGEDRM
CCC(CC)NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814851146	631655009	/nfs/dbraw/zinc/65/50/09/631655009.db2.gz	GOUVGJHJFRYJKH-UHFFFAOYSA-N	-1	0	268.744	3.150	20	30		CGEDRM
C[C@H]1C(N=Nc2c(F)cccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814853046	631655929	/nfs/dbraw/zinc/65/59/29/631655929.db2.gz	ZLFWQZZNRRLKDD-BDAKNGLRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(Cl)nc2)CC[C@@H]1CC(=O)[O-]	ZINC000814858990	631657186	/nfs/dbraw/zinc/65/71/86/631657186.db2.gz	KWDBWOTXGJNQDZ-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1CC(=NNCc2ccc(Cl)cc2)CC[C@H]1C(=O)[O-]	ZINC000814873233	631661088	/nfs/dbraw/zinc/66/10/88/631661088.db2.gz	SCLWVRKMMBVGSO-QMTHXVAHSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CC(=NOC1CCCC1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814894688	631668918	/nfs/dbraw/zinc/66/89/18/631668918.db2.gz	PSODXWPVTJIGBL-LBPRGKRZSA-N	-1	0	291.347	3.222	20	30		CGEDRM
Cc1cccc(F)c1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814905318	631674548	/nfs/dbraw/zinc/67/45/48/631674548.db2.gz	SPHAROKUIONBIK-WDEREUQCSA-N	-1	0	278.327	3.423	20	30		CGEDRM
CC(=NN[C@H]1CCOC(C)(C)C1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814908079	631675870	/nfs/dbraw/zinc/67/58/70/631675870.db2.gz	HCYHYXKHGMTUNC-JSGCOSHPSA-N	-1	0	298.427	3.191	20	30		CGEDRM
CC(=NN[C@H]1CCCC1(C)C)c1csc(C(=O)[O-])c1	ZINC000814918000	631680996	/nfs/dbraw/zinc/68/09/96/631680996.db2.gz	YEINBWRRVBZTGL-LBPRGKRZSA-N	-1	0	280.393	3.339	20	30		CGEDRM
C[C@H]1C(N=NCC2CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814933429	631688362	/nfs/dbraw/zinc/68/83/62/631688362.db2.gz	NZQNKRZRJMGYOH-AAEUAGOBSA-N	-1	0	280.412	3.279	20	30		CGEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccncn1	ZINC000816018888	631860194	/nfs/dbraw/zinc/86/01/94/631860194.db2.gz	SMJZMRZZNLFMNA-OXBCTQFSSA-N	-1	0	273.311	3.087	20	30		CGEDRM
Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])s1	ZINC000210012729	635778110	/nfs/dbraw/zinc/77/81/10/635778110.db2.gz	HEIQSCVOQQLHCK-ALCCZGGFSA-N	-1	0	260.314	3.364	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1cnc2ccccc2n1	ZINC000820852304	632688074	/nfs/dbraw/zinc/68/80/74/632688074.db2.gz	IBRBMEAUKWRJAS-LLVKDONJSA-N	-1	0	281.290	3.214	20	30		CGEDRM
C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1[O-]	ZINC000866357427	633098407	/nfs/dbraw/zinc/09/84/07/633098407.db2.gz	DOSCVTIVKBEQGP-ISVAXAHUSA-N	-1	0	284.281	3.255	20	30		CGEDRM
CC1(C)CCC(NN=C2CCC(C(=O)[O-])CC2)CC1	ZINC000872395606	634132046	/nfs/dbraw/zinc/13/20/46/634132046.db2.gz	UQCLSEKHTCUCEY-UHFFFAOYSA-N	-1	0	266.385	3.176	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H](C)C(F)(F)F	ZINC000834998252	634305931	/nfs/dbraw/zinc/30/59/31/634305931.db2.gz	DUEJQHWQTPLDHR-SNVBAGLBSA-N	-1	0	282.306	3.328	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835008676	634313495	/nfs/dbraw/zinc/31/34/95/634313495.db2.gz	MQZWOGHHOGBYRF-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC[C@H]1C[C@@H](CN=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835011234	634315274	/nfs/dbraw/zinc/31/52/74/634315274.db2.gz	DAECCQZZBFEZLP-JQWIXIFHSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CO[C@@]1(C)CC(N=Nc2ccc(C(=O)[O-])cc2F)C1(C)C	ZINC000835011659	634316331	/nfs/dbraw/zinc/31/63/31/634316331.db2.gz	IEQAPHHVKSCBEO-HNNXBMFYSA-N	-1	0	294.326	3.127	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2(C)CCOCC2)n1	ZINC000835036780	634328759	/nfs/dbraw/zinc/32/87/59/634328759.db2.gz	NJROYPHVWTZZAR-PCAWENJQSA-N	-1	0	290.388	3.001	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCCC2(F)F)c1	ZINC000840709551	635038863	/nfs/dbraw/zinc/03/88/63/635038863.db2.gz	NPYDWEIIRINDEM-QOZZSIDGSA-N	-1	0	284.262	3.155	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3C=C[C@@H]2CC3)cc1	ZINC000842522702	635390624	/nfs/dbraw/zinc/39/06/24/635390624.db2.gz	PEJLPJCIZLLTNT-WDEREUQCSA-N	-1	0	256.305	3.139	20	30		CGEDRM
C[C@H]1CCCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000844587908	635937488	/nfs/dbraw/zinc/93/74/88/635937488.db2.gz	JGUCUBRWOJSLRY-JTQLQIEISA-N	-1	0	261.325	3.148	20	30		CGEDRM
C=C(C)CON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000844620537	635943558	/nfs/dbraw/zinc/94/35/58/635943558.db2.gz	XJMMRIIPCRMDKP-GHMZBOCLSA-N	-1	0	253.342	3.092	20	30		CGEDRM
Cc1c(N=NC(C)CC2CCOCC2)cccc1C(=O)[O-]	ZINC000844623044	635944594	/nfs/dbraw/zinc/94/45/94/635944594.db2.gz	HHAQUGZOXCRFKG-UHFFFAOYSA-N	-1	0	290.363	3.298	20	30		CGEDRM
Cc1c(N=NC2CC(OC(C)C)C2)cccc1C(=O)[O-]	ZINC000844623646	635945625	/nfs/dbraw/zinc/94/56/25/635945625.db2.gz	PEFIGJCORJDRIS-UHFFFAOYSA-N	-1	0	276.336	3.049	20	30		CGEDRM
CCCCC(COC)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844625315	635946189	/nfs/dbraw/zinc/94/61/89/635946189.db2.gz	YTDIPFSUVMJVHO-UHFFFAOYSA-N	-1	0	278.352	3.298	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(F)cc2)CCCC1	ZINC000846543603	636197080	/nfs/dbraw/zinc/19/70/80/636197080.db2.gz	LWGGUPAUEYMLCH-GFCCVEGCSA-N	-1	0	277.339	3.260	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](OC1CCCC1)c1ccccc1	ZINC000846550285	636200448	/nfs/dbraw/zinc/20/04/48/636200448.db2.gz	MBWOVYILIRUDKV-XJKSGUPXSA-N	-1	0	289.375	3.309	20	30		CGEDRM
O=C(/C=C/c1cc(F)c(F)cc1F)c1ccc(O)cc1[O-]	ZINC000130114716	636418340	/nfs/dbraw/zinc/41/83/40/636418340.db2.gz	DHTIJHWEWIEIRM-DAFODLJHSA-N	-1	0	294.228	3.411	20	30		CGEDRM
CN1CCc2cc(/C=C/C(=O)c3ccc([O-])c(F)c3)ccc21	ZINC000130937838	636533560	/nfs/dbraw/zinc/53/35/60/636533560.db2.gz	JAARUQKXNGGHSF-ZZXKWVIFSA-N	-1	0	297.329	3.420	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C(C)C)C(=O)O1	ZINC000848639530	636626716	/nfs/dbraw/zinc/62/67/16/636626716.db2.gz	VTTFGVIQOIDKTB-IJDCCNJMSA-N	-1	0	298.338	3.038	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000107821423	636646278	/nfs/dbraw/zinc/64/62/78/636646278.db2.gz	ISQDVWHZQVIVAQ-ZDUSSCGKSA-N	-1	0	269.385	3.060	20	30		CGEDRM
O=C(/C=C\c1cccs1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000215465985	637036803	/nfs/dbraw/zinc/03/68/03/637036803.db2.gz	WUTGGHGQCPSRDD-XQRVVYSFSA-N	-1	0	275.285	3.258	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(C2CCCC2)c1	ZINC000851602972	637458883	/nfs/dbraw/zinc/45/88/83/637458883.db2.gz	FODJEQSULCHQIP-UHFFFAOYSA-N	-1	0	287.359	3.057	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)CCCC(=O)[O-])c1ccccc1	ZINC000887315342	637794706	/nfs/dbraw/zinc/79/47/06/637794706.db2.gz	RDDVFWCXTNANMH-OAHLLOKOSA-N	-1	0	289.375	3.455	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CO[C@@H](C3CC3)C2)ccc1Cl	ZINC000853258403	637795980	/nfs/dbraw/zinc/79/59/80/637795980.db2.gz	OAYYOCPDDGCJJX-CYBMUJFWSA-N	-1	0	294.738	3.005	20	30		CGEDRM
CC(CC(C)(C)C#N)N=Nc1ccccc1C(=O)[O-]	ZINC000853281101	637800245	/nfs/dbraw/zinc/80/02/45/637800245.db2.gz	VJKJKTAZHPAWRC-UHFFFAOYSA-N	-1	0	259.309	3.112	20	30		CGEDRM
O=c1[n-]c(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc2ccccc21	ZINC000853319300	637808130	/nfs/dbraw/zinc/80/81/30/637808130.db2.gz	NZIIYCYZZYJKSR-UTUOFQBUSA-N	-1	0	282.347	3.169	20	30		CGEDRM
O=C([O-])c1ccc(C=NOC2CCCCC2)cc1F	ZINC000853334885	637814356	/nfs/dbraw/zinc/81/43/56/637814356.db2.gz	DZJJYJGZFJJCSI-UHFFFAOYSA-N	-1	0	265.284	3.207	20	30		CGEDRM
C#CCO[N-]C(=O)C1(c2cccc(Cl)c2)CCCCC1	ZINC000855603539	638221874	/nfs/dbraw/zinc/22/18/74/638221874.db2.gz	RDTKQQYYCIPHQI-UHFFFAOYSA-N	-1	0	291.778	3.223	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000933341583	639439687	/nfs/dbraw/zinc/43/96/87/639439687.db2.gz	OOCQFUZCSNULHG-UHFFFAOYSA-N	-1	0	283.318	3.489	20	30		CGEDRM
Cc1cocc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000860853203	639443548	/nfs/dbraw/zinc/44/35/48/639443548.db2.gz	GEINDLATPJTAMZ-CQSZACIVSA-N	-1	0	293.322	3.211	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048495531	640056923	/nfs/dbraw/zinc/05/69/23/640056923.db2.gz	WRQXLWGEHFSKIA-MRVPVSSYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077879947	640265842	/nfs/dbraw/zinc/26/58/42/640265842.db2.gz	BGNGQPTWMKXTII-LLVKDONJSA-N	-1	0	269.366	3.224	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccccc2[O-])c1F	ZINC000195503018	640588367	/nfs/dbraw/zinc/58/83/67/640588367.db2.gz	DXGRNPKLFUBORB-MDZDMXLPSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000089964569	640665625	/nfs/dbraw/zinc/66/56/25/640665625.db2.gz	WEFRSPNGJOKGFW-JYOAFUTRSA-N	-1	0	293.388	3.177	20	30		CGEDRM
N#C[C@@H]1CCCN(Cc2cc([O-])c(Cl)c(F)c2F)C1	ZINC001250408407	805600626	/nfs/dbraw/zinc/60/06/26/805600626.db2.gz	GOQPUCCMRJKIND-QMMMGPOBSA-N	-1	0	286.709	3.059	20	30		CGEDRM
Cc1coc(NC(=O)c2cc3cc(O)ccc3o2)c1C#N	ZINC001155665635	805602499	/nfs/dbraw/zinc/60/24/99/805602499.db2.gz	NGFYSDYAPSZDPS-UHFFFAOYSA-N	-1	0	282.255	3.164	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)nc1	ZINC001250463813	805632546	/nfs/dbraw/zinc/63/25/46/805632546.db2.gz	MQWIRORBANDEDY-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1cc(Nc2sccc2C#N)ccc1C(=O)[O-]	ZINC001211647769	814925110	/nfs/dbraw/zinc/92/51/10/814925110.db2.gz	HUBQPMMQWOXCJE-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3c(cc(F)c(F)c3F)[nH]2)c1	ZINC001251180270	805859365	/nfs/dbraw/zinc/85/93/65/805859365.db2.gz	LVAFSRSBYGJIFL-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(C)c1	ZINC001211658579	814928460	/nfs/dbraw/zinc/92/84/60/814928460.db2.gz	SNTDNSMVRKGSQX-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#CCCCCCc1cn(CCCCCCC(=O)[O-])nn1	ZINC001254094336	806342350	/nfs/dbraw/zinc/34/23/50/806342350.db2.gz	SUHBGXXTFPTLTL-UHFFFAOYSA-N	-1	0	291.395	3.049	20	30		CGEDRM
O=C1c2cc(F)ccc2C/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000176411414	799096611	/nfs/dbraw/zinc/09/66/11/799096611.db2.gz	QJQUSLYNTBAJFJ-WZUFQYTHSA-N	-1	0	299.257	3.262	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000218170770	799135462	/nfs/dbraw/zinc/13/54/62/799135462.db2.gz	JEVGQMIONSAVMP-YWEYNIOJSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CCOc1cc(C=CC(=O)c2sccc2[O-])ccc1O	ZINC000588599373	799720625	/nfs/dbraw/zinc/72/06/25/799720625.db2.gz	ZUTATSPBTNBECE-XQRVVYSFSA-N	-1	0	290.340	3.454	20	30		CGEDRM
N#Cc1cc(-c2nnc(Cc3ccccc3F)o2)ccc1[O-]	ZINC001255866894	806775207	/nfs/dbraw/zinc/77/52/07/806775207.db2.gz	FYRHCZLMOREMAL-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)C2CCCCC2)ccc1O	ZINC000809154679	800413701	/nfs/dbraw/zinc/41/37/01/800413701.db2.gz	BAWOSOMAXXIVAK-VURMDHGXSA-N	-1	0	274.316	3.253	20	30		CGEDRM
N#Cc1cc(NC(=O)CCC(F)=C(F)F)c([O-])cc1F	ZINC001180277827	809989393	/nfs/dbraw/zinc/98/93/93/809989393.db2.gz	NDBIRVFAFXIIQS-UHFFFAOYSA-N	-1	0	288.200	3.199	20	30		CGEDRM
CCn1ccnc1[C@@H](C#N)C(=O)c1oc(SC)cc1C	ZINC001123337752	802929932	/nfs/dbraw/zinc/92/99/32/802929932.db2.gz	UAFLHOLYSKYUQU-JTQLQIEISA-N	-1	0	289.360	3.016	20	30		CGEDRM
COc1cc(C)cc(Nc2scc([O-])c2C#N)c1	ZINC001211724651	814936338	/nfs/dbraw/zinc/93/63/38/814936338.db2.gz	OWOCPFZCKKGXTG-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc(F)c([O-])c(F)c2)c1	ZINC001244097414	803185588	/nfs/dbraw/zinc/18/55/88/803185588.db2.gz	PFYBCUUNJNRNJN-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cc(F)c([O-])c(F)c1	ZINC001244099196	803186867	/nfs/dbraw/zinc/18/68/67/803186867.db2.gz	WYXQWPACANIMNO-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
Nc1c(F)c(F)c(F)cc1-c1cc(/C=N/[O-])ccc1F	ZINC001244171100	803221886	/nfs/dbraw/zinc/22/18/86/803221886.db2.gz	VJUYSZULVMYJRZ-PTXOJBNSSA-N	-1	0	284.212	3.300	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(CCC(=O)[O-])cc2)n1	ZINC001244189910	803234393	/nfs/dbraw/zinc/23/43/93/803234393.db2.gz	YAZKPJPBOUQRDE-UHFFFAOYSA-N	-1	0	280.327	3.140	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc(CCC(=O)[O-])cc3)c12	ZINC001244189520	803234694	/nfs/dbraw/zinc/23/46/94/803234694.db2.gz	MQUGTEDZRTXCQY-UHFFFAOYSA-N	-1	0	291.310	3.070	20	30		CGEDRM
N#Cc1ncc(-c2cc(F)c([O-])c(Cl)c2)cc1F	ZINC001244501690	803407197	/nfs/dbraw/zinc/40/71/97/803407197.db2.gz	OMARVADMGQZDER-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3cnc(F)c(C(=O)[O-])c3)c2c1	ZINC001244752738	803519944	/nfs/dbraw/zinc/51/99/44/803519944.db2.gz	JGDBCCWSLAXCFN-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1cc(C(=O)[O-])cnc1F	ZINC001244757889	803522260	/nfs/dbraw/zinc/52/22/60/803522260.db2.gz	DYIAQTIAYBPCNF-UHFFFAOYSA-N	-1	0	272.279	3.018	20	30		CGEDRM
N#Cc1nc2c(cccc2-c2cc(C(=O)[O-])cnc2F)s1	ZINC001244762012	803523100	/nfs/dbraw/zinc/52/31/00/803523100.db2.gz	FKENMGSSBCVICZ-UHFFFAOYSA-N	-1	0	299.286	3.067	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cnc2[nH]cc(C#N)c2c1	ZINC001245301381	803695301	/nfs/dbraw/zinc/69/53/01/803695301.db2.gz	RIMSMNMZAJJKFK-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])cc1Cl)CCC2	ZINC001245370187	803716321	/nfs/dbraw/zinc/71/63/21/803716321.db2.gz	CYNTYNFMSPGJDF-UHFFFAOYSA-N	-1	0	298.729	3.461	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2Cl)cnc1F	ZINC001245373479	803718523	/nfs/dbraw/zinc/71/85/23/803718523.db2.gz	XAJVXUHGEMALEV-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cc([O-])c(F)c(F)c1F	ZINC001245640375	803875675	/nfs/dbraw/zinc/87/56/75/803875675.db2.gz	CFEZNOHOPYBCND-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1cc(Cl)c([O-])cc1F	ZINC001245666918	803895114	/nfs/dbraw/zinc/89/51/14/803895114.db2.gz	ACBKUKOUUCCHAB-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1nnc(-c2cc(Cl)c([O-])cc2F)c(C#N)c1C	ZINC001245668416	803896030	/nfs/dbraw/zinc/89/60/30/803896030.db2.gz	UMPSEGVLFWHVSW-UHFFFAOYSA-N	-1	0	277.686	3.130	20	30		CGEDRM
COc1ncc(-c2c(F)ccc([O-])c2Cl)cc1C#N	ZINC001245832603	803988772	/nfs/dbraw/zinc/98/87/72/803988772.db2.gz	LOKDMDCREKTOKP-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#CCCn1[n-]c(-c2ccc(C(F)(F)F)cc2)cc1=O	ZINC001245916462	804042800	/nfs/dbraw/zinc/04/28/00/804042800.db2.gz	HUKCVESZFATWOG-UHFFFAOYSA-N	-1	0	281.237	3.188	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccccc3F)[n-]2)cc1	ZINC001245936631	804066977	/nfs/dbraw/zinc/06/69/77/804066977.db2.gz	CACXOCBFQYPCAM-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccc(F)c(F)c3)[n-]2)c1	ZINC001245937663	804070353	/nfs/dbraw/zinc/07/03/53/804070353.db2.gz	RTJMIIRAXKMLEP-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C=CCn1[n-]c(Cc2cccc(Br)c2)cc1=O	ZINC001245945351	804078997	/nfs/dbraw/zinc/07/89/97/804078997.db2.gz	XANWQIQMAMLOTJ-UHFFFAOYSA-N	-1	0	293.164	3.128	20	30		CGEDRM
CCCCCCCCCc1cc(=O)n(C[C@@H](C)O)[n-]1	ZINC001245955581	804089927	/nfs/dbraw/zinc/08/99/27/804089927.db2.gz	XUAARFLMAMSUTF-CYBMUJFWSA-N	-1	0	268.401	3.263	20	30		CGEDRM
N#Cc1cc(NC(=O)CCCc2ccccc2)c([O-])cc1F	ZINC001142881934	804780847	/nfs/dbraw/zinc/78/08/47/804780847.db2.gz	VKVRVGVKSCEOCY-UHFFFAOYSA-N	-1	0	298.317	3.364	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cccc3c2CCCC3)c(O)c1	ZINC001148636066	805202699	/nfs/dbraw/zinc/20/26/99/805202699.db2.gz	KHKDAPZGLJBRMP-UHFFFAOYSA-N	-1	0	292.338	3.395	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)c(O)c1	ZINC001151108114	805283251	/nfs/dbraw/zinc/28/32/51/805283251.db2.gz	DOXUISVNMKOOHV-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Cc1cccc(C#N)c1	ZINC001250050397	805389001	/nfs/dbraw/zinc/38/90/01/805389001.db2.gz	STZUAEDIIKGKOB-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
COC(=O)c1cc(Nc2scc([O-])c2C#N)ccc1C	ZINC001212624877	815087986	/nfs/dbraw/zinc/08/79/86/815087986.db2.gz	LQVXGPWEWMDTDP-UHFFFAOYSA-N	-1	0	288.328	3.164	20	30		CGEDRM
Cc1ccc(-c2nnc(CCC(=O)C3=CC=C[CH]3)o2)cc1F	ZINC001258765573	807601094	/nfs/dbraw/zinc/60/10/94/807601094.db2.gz	HEZVTSPKKSEUTA-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
Cc1ccc(-c2nnc(-c3ccc(C#N)cc3[O-])o2)cc1F	ZINC001258798984	807620001	/nfs/dbraw/zinc/62/00/01/807620001.db2.gz	BKWGOBIZMGFFBB-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(C#N)c1	ZINC001260068104	807696070	/nfs/dbraw/zinc/69/60/70/807696070.db2.gz	HYMYLIQGUYPADS-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H]1CCCSC1	ZINC001262039084	807812498	/nfs/dbraw/zinc/81/24/98/807812498.db2.gz	HDSZGHJWNUFVCU-ZDUSSCGKSA-N	-1	0	286.441	3.273	20	30		CGEDRM
N#Cc1cc(NC2=CC[C@H](C#N)CC2)c([O-])cc1F	ZINC001212865407	815165406	/nfs/dbraw/zinc/16/54/06/815165406.db2.gz	HYXJCHFDZSUVQG-VIFPVBQESA-N	-1	0	257.268	3.022	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)cc(F)c1	ZINC001173913218	808756265	/nfs/dbraw/zinc/75/62/65/808756265.db2.gz	DIBKPESKEVBCLF-UHFFFAOYSA-N	-1	0	252.245	3.347	20	30		CGEDRM
CNc1ncc2cc(Nc3scc([O-])c3C#N)ccc2n1	ZINC001174531397	809065706	/nfs/dbraw/zinc/06/57/06/809065706.db2.gz	TWVJJXVRZDBRGO-UHFFFAOYSA-N	-1	0	297.343	3.054	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(C(=O)[O-])cc2OC)c1	ZINC001174678059	809128086	/nfs/dbraw/zinc/12/80/86/809128086.db2.gz	YGMIBJKWVCQSJL-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174808926	809168048	/nfs/dbraw/zinc/16/80/48/809168048.db2.gz	ZJMLDQCOYCYIAU-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC001174953729	809213229	/nfs/dbraw/zinc/21/32/29/809213229.db2.gz	YOKXMDDXTDFSJR-UHFFFAOYSA-N	-1	0	281.311	3.069	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1F	ZINC001175219056	809311786	/nfs/dbraw/zinc/31/17/86/809311786.db2.gz	UQGVINCKGZDSKD-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001175220223	809312878	/nfs/dbraw/zinc/31/28/78/809312878.db2.gz	NSWTZELFPLHPPU-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223802	809314836	/nfs/dbraw/zinc/31/48/36/809314836.db2.gz	WLGRZAWTLRXRFU-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cccc(Nc2cccc(C(=O)[O-])c2)c1C#N	ZINC001175331397	809358456	/nfs/dbraw/zinc/35/84/56/809358456.db2.gz	QVDIWZHXHAUTAR-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1	ZINC001175682752	809501865	/nfs/dbraw/zinc/50/18/65/809501865.db2.gz	SZLURBBSINNQMJ-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1	ZINC001175687302	809504889	/nfs/dbraw/zinc/50/48/89/809504889.db2.gz	JITOZBDZHHBPLF-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc(OC)cc(C(=O)[O-])c1	ZINC001213595205	815308357	/nfs/dbraw/zinc/30/83/57/815308357.db2.gz	SIUBAONWEUGRRR-UHFFFAOYSA-N	-1	0	297.314	3.050	20	30		CGEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)c(F)c1F	ZINC001176438949	809697442	/nfs/dbraw/zinc/69/74/42/809697442.db2.gz	HFQOYAHGWXIHCR-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1csc(C(=O)[O-])c1	ZINC001176441899	809699421	/nfs/dbraw/zinc/69/94/21/809699421.db2.gz	XPZGPLHPIBUDPW-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176590413	809725294	/nfs/dbraw/zinc/72/52/94/809725294.db2.gz	XOBMSVLICIYFBS-QPJJXVBHSA-N	-1	0	279.299	3.103	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595244	809726420	/nfs/dbraw/zinc/72/64/20/809726420.db2.gz	GTFLJTGQJYYYQL-WEVVVXLNSA-N	-1	0	293.326	3.441	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176663835	809738442	/nfs/dbraw/zinc/73/84/42/809738442.db2.gz	JMAZMDQIJGBKBM-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176671692	809740008	/nfs/dbraw/zinc/74/00/08/809740008.db2.gz	LSHXWLYAACLFCT-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1oc(Nc2ccc(C(=O)[O-])cc2)c(C#N)c1C	ZINC001176710180	809745933	/nfs/dbraw/zinc/74/59/33/809745933.db2.gz	BMNSYUKOFVWTAK-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3cc(Cl)ncc3[O-])n2)c1	ZINC001213942227	815348730	/nfs/dbraw/zinc/34/87/30/815348730.db2.gz	MESUNFYCHBWBCC-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
Cn1c(NC(=O)CCC(=O)C2=CC=C[CH]2)cc2ccccc21	ZINC001184240865	810184376	/nfs/dbraw/zinc/18/43/76/810184376.db2.gz	GJXHRZGQMUJLTD-UHFFFAOYSA-N	-1	0	293.346	3.167	20	30		CGEDRM
CCCC#CC(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001184270035	810187249	/nfs/dbraw/zinc/18/72/49/810187249.db2.gz	BPAHUDIKBSVSEO-UHFFFAOYSA-N	-1	0	272.131	3.441	20	30		CGEDRM
CCCCN(O)C(=O)c1cc(O)c2ccccc2c1	ZINC001184314728	810190767	/nfs/dbraw/zinc/19/07/67/810190767.db2.gz	ICCOLHBQKBWGOJ-UHFFFAOYSA-N	-1	0	259.305	3.177	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001184508452	810205687	/nfs/dbraw/zinc/20/56/87/810205687.db2.gz	HVVLYAVBKIWUCK-NXEZZACHSA-N	-1	0	276.311	3.168	20	30		CGEDRM
N#Cc1cc(Nc2cccnc2N2CCCC2)c([O-])cc1F	ZINC001184964549	810225761	/nfs/dbraw/zinc/22/57/61/810225761.db2.gz	NHTUVATULMIWRI-UHFFFAOYSA-N	-1	0	298.321	3.142	20	30		CGEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1SC(C)(C)C	ZINC001193158298	810860944	/nfs/dbraw/zinc/86/09/44/810860944.db2.gz	NJPATAYGESPBJL-SNVBAGLBSA-N	-1	0	298.433	3.231	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2ccc3c(c2)N=NC3)ccc1[O-]	ZINC001193511582	810900558	/nfs/dbraw/zinc/90/05/58/810900558.db2.gz	CFXKZCCYQBGKBY-UHFFFAOYSA-N	-1	0	278.271	3.113	20	30		CGEDRM
CC(C)CCC[C@@H](C)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515866	810901595	/nfs/dbraw/zinc/90/15/95/810901595.db2.gz	USOVQDDYHMGADN-GFCCVEGCSA-N	-1	0	274.364	3.208	20	30		CGEDRM
C[C@H]1CN(C(=O)c2cccc(C#N)c2[O-])Cc2ccccc21	ZINC001193642852	810927296	/nfs/dbraw/zinc/92/72/96/810927296.db2.gz	RMLPNGTZNSJRTF-LBPRGKRZSA-N	-1	0	292.338	3.023	20	30		CGEDRM
CCC(CC)COC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001194708496	811113251	/nfs/dbraw/zinc/11/32/51/811113251.db2.gz	AYINMJUMCMXKBB-UHFFFAOYSA-N	-1	0	262.309	3.249	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1c(F)c([O-])ccc1Cl	ZINC001214565033	815425569	/nfs/dbraw/zinc/42/55/69/815425569.db2.gz	UJQSQQSDQXHVKQ-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
CC(C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1[O-]	ZINC001196477985	811348484	/nfs/dbraw/zinc/34/84/84/811348484.db2.gz	LIGNQLODKGUOFS-AWEZNQCLSA-N	-1	0	298.745	3.243	20	30		CGEDRM
N#Cc1cc(NC(=S)NC2CCCCC2)c([O-])cc1F	ZINC001200650710	811727910	/nfs/dbraw/zinc/72/79/10/811727910.db2.gz	DQGIADLELIEXRL-UHFFFAOYSA-N	-1	0	293.367	3.022	20	30		CGEDRM
Cc1cc(C)c(Nc2cnc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001215117796	815484504	/nfs/dbraw/zinc/48/45/04/815484504.db2.gz	LGGXGJWVIBHGKB-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215463781	815521696	/nfs/dbraw/zinc/52/16/96/815521696.db2.gz	OOXFNGQCSCDWCU-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cnc(-c2ccc([O-])cc2C(F)(F)F)c(C#N)c1	ZINC001205066518	812845043	/nfs/dbraw/zinc/84/50/43/812845043.db2.gz	PNQMAZXWRSUBHW-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
C#C[C@H](CCCCC)OCc1ccc(C(=O)[O-])cc1	ZINC001205681049	813051161	/nfs/dbraw/zinc/05/11/61/813051161.db2.gz	PWIYUUGZLHRTBK-OAHLLOKOSA-N	-1	0	260.333	3.484	20	30		CGEDRM
N#CCc1ccc(F)c(-c2csc(C(=O)[O-])c2)c1	ZINC001206291603	813274085	/nfs/dbraw/zinc/27/40/85/813274085.db2.gz	UJVNKCSMCGZAMD-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#CCc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001209889652	814189422	/nfs/dbraw/zinc/18/94/22/814189422.db2.gz	RAJXJJVCOIVOSD-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(O)cc1C#N	ZINC001210006733	814240155	/nfs/dbraw/zinc/24/01/55/814240155.db2.gz	DDXJWPCAPOYFRA-UHFFFAOYSA-N	-1	0	286.262	3.153	20	30		CGEDRM
C#CCOc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1	ZINC001210073116	814274537	/nfs/dbraw/zinc/27/45/37/814274537.db2.gz	HHDIZTVCVNDZLA-UHFFFAOYSA-N	-1	0	281.311	3.069	20	30		CGEDRM
Cc1coc(Nc2cccc(C(=O)[O-])c2F)c1C#N	ZINC001210240003	814359194	/nfs/dbraw/zinc/35/91/94/814359194.db2.gz	KQCOADCIQKJAQQ-UHFFFAOYSA-N	-1	0	260.224	3.041	20	30		CGEDRM
Cc1ccc(C#N)cc1[N-]c1nnc(-c2ccco2)o1	ZINC001210497978	814490000	/nfs/dbraw/zinc/49/00/00/814490000.db2.gz	GGWRFSSAVPCSAD-UHFFFAOYSA-N	-1	0	266.260	3.253	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1cc([O-])c(F)c(F)c1	ZINC001210554621	814522200	/nfs/dbraw/zinc/52/22/00/814522200.db2.gz	JWGKDTYRZIYZCR-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1cn(-c2cccc([S-])c2)c2cc(N)ccc12	ZINC001210948165	814687262	/nfs/dbraw/zinc/68/72/62/814687262.db2.gz	HROHEETUPNBRAA-UHFFFAOYSA-N	-1	0	265.341	3.373	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccccc2C(=O)[O-])c(F)c1	ZINC001210967514	814694309	/nfs/dbraw/zinc/69/43/09/814694309.db2.gz	GPEZKRDRDHRUCO-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2OC)c(C#N)c1	ZINC001211037159	814713939	/nfs/dbraw/zinc/71/39/39/814713939.db2.gz	QJZSGLFUPBQUGD-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc(C)cc(C(=O)[O-])c1	ZINC001211547021	814905891	/nfs/dbraw/zinc/90/58/91/814905891.db2.gz	ALJVLRFBLBPVDG-UHFFFAOYSA-N	-1	0	281.315	3.350	20	30		CGEDRM
Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1C(=O)[O-]	ZINC001211594102	814914463	/nfs/dbraw/zinc/91/44/63/814914463.db2.gz	MEPGUAUFNPJAQO-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1C(C)(C)C	ZINC001211616772	814918725	/nfs/dbraw/zinc/91/87/25/814918725.db2.gz	WZBSVSJRMFLQSO-UHFFFAOYSA-N	-1	0	298.346	3.260	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(C(=O)[O-])cc2C)c1	ZINC001211618577	814919031	/nfs/dbraw/zinc/91/90/31/814919031.db2.gz	HASOICWACBWZKH-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-n1cc(C#N)c2cc(N)ccc21	ZINC001211626267	814920402	/nfs/dbraw/zinc/92/04/02/814920402.db2.gz	AEVKLVPSEAIUII-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
Cc1cc(Nc2cccnc2C#N)cc(C)c1C(=O)[O-]	ZINC001216308550	815774211	/nfs/dbraw/zinc/77/42/11/815774211.db2.gz	YETCOPFZEMNXSU-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(Nc2c(O)cccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216312656	815775409	/nfs/dbraw/zinc/77/54/09/815775409.db2.gz	PCLUALOSMWEIJA-UHFFFAOYSA-N	-1	0	282.299	3.323	20	30		CGEDRM
Cc1c(Nc2ccc(O)c(C#N)c2)cccc1C(=O)[O-]	ZINC001216661396	815889132	/nfs/dbraw/zinc/88/91/32/815889132.db2.gz	HHJJTRWIAPPRLH-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3cc(F)ccc3F)no2)ccc1[O-]	ZINC001216969598	815903987	/nfs/dbraw/zinc/90/39/87/815903987.db2.gz	IDCFEJKJAGLYIG-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cnc(-c2ccccc2C(=O)[O-])cc1C(F)(F)F	ZINC001242877098	823161506	/nfs/dbraw/zinc/16/15/06/823161506.db2.gz	RKLRQAGBYCLBPN-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1cc2nc(-c3c(F)cc(C(=O)[O-])cc3F)ccc2[nH]1	ZINC001222392073	816429815	/nfs/dbraw/zinc/42/98/15/816429815.db2.gz	MFVFTFKMOOJGMS-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
CC#CC[C@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223890994	816698976	/nfs/dbraw/zinc/69/89/76/816698976.db2.gz	BAFKXJLBEGMMEO-ICDILTBESA-N	-1	0	291.347	3.048	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@H]2CCc3cccc(C)c32)[nH]1	ZINC001225466726	817060719	/nfs/dbraw/zinc/06/07/19/817060719.db2.gz	GKVWRLQOBICBRM-HNNXBMFYSA-N	-1	0	280.327	3.342	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](Oc2nc(Cl)cc(=O)[n-]2)C(C)(C)O1	ZINC001225561772	817093045	/nfs/dbraw/zinc/09/30/45/817093045.db2.gz	BURHHCFQUUFSQN-LKFCYVNXSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](Oc2nc(Cl)cc(=O)[n-]2)C(C)(C)O1	ZINC001225561773	817093357	/nfs/dbraw/zinc/09/33/57/817093357.db2.gz	BURHHCFQUUFSQN-OTYXRUKQSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CC[C@H](CCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225620939	817115053	/nfs/dbraw/zinc/11/50/53/817115053.db2.gz	YDCZDAWXZJMXKL-SNVBAGLBSA-N	-1	0	251.282	3.424	20	30		CGEDRM
N#C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cccc(F)c1	ZINC001225626885	817117945	/nfs/dbraw/zinc/11/79/45/817117945.db2.gz	WVRNCYMZCPSCBD-ZDUSSCGKSA-N	-1	0	288.234	3.083	20	30		CGEDRM
CC1(C)CCC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008631	817247109	/nfs/dbraw/zinc/24/71/09/817247109.db2.gz	KZSYXADSXVALRC-SNVBAGLBSA-N	-1	0	264.300	3.146	20	30		CGEDRM
CC[C@H](C)CC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008168	817247522	/nfs/dbraw/zinc/24/75/22/817247522.db2.gz	FQCDCZYQQQWWFO-UWVGGRQHSA-N	-1	0	266.316	3.392	20	30		CGEDRM
COC(=O)c1ccc(F)cc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001243122000	823253670	/nfs/dbraw/zinc/25/36/70/823253670.db2.gz	KYYWFUKDAKBCPA-QGMBQPNBSA-N	-1	0	291.253	3.227	20	30		CGEDRM
Cc1ccc(OC[C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226222860	817301538	/nfs/dbraw/zinc/30/15/38/817301538.db2.gz	IYHLSWAKIWMDHW-CYBMUJFWSA-N	-1	0	298.342	3.122	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCCc3ccccc32)c1C#N	ZINC001226222390	817301745	/nfs/dbraw/zinc/30/17/45/817301745.db2.gz	ZQOQRIBBZUTODN-HNNXBMFYSA-N	-1	0	280.327	3.424	20	30		CGEDRM
CC(C)=CCC[C@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222448	817302404	/nfs/dbraw/zinc/30/24/04/817302404.db2.gz	BMYARIFBJJFACQ-LBPRGKRZSA-N	-1	0	260.337	3.481	20	30		CGEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226407888	817349808	/nfs/dbraw/zinc/34/98/08/817349808.db2.gz	ACJDERKICCXYDM-JTQLQIEISA-N	-1	0	262.284	3.208	20	30		CGEDRM
C=CC[C@@H](Oc1nc(C)[n-]c(=O)c1F)c1ccccc1	ZINC001226425516	817354670	/nfs/dbraw/zinc/35/46/70/817354670.db2.gz	YDWKPOAWGJNNTA-GFCCVEGCSA-N	-1	0	274.295	3.326	20	30		CGEDRM
C=CC[C@@H](Oc1[nH]c(=O)nnc1C)c1ccc(Cl)cc1	ZINC001226464171	817366254	/nfs/dbraw/zinc/36/62/54/817366254.db2.gz	NFJSZXYOONFFHK-GFCCVEGCSA-N	-1	0	291.738	3.235	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1cc(C)cc(C(=O)[O-])c1	ZINC001243179241	823275350	/nfs/dbraw/zinc/27/53/50/823275350.db2.gz	MMZBFPACPNUEGZ-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=CC[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C(C)C	ZINC001227605222	817680530	/nfs/dbraw/zinc/68/05/30/817680530.db2.gz	GLZJLJYRBPWCTE-ZETCQYMHSA-N	-1	0	277.151	3.469	20	30		CGEDRM
COc1nc(C)c(-c2ccc(C)c(C(=O)[O-])c2)c(C)c1C#N	ZINC001243195054	823284623	/nfs/dbraw/zinc/28/46/23/823284623.db2.gz	KRKONZUHWUMSNI-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
C[C@@H](Oc1cccc2c1C(=O)C=CC2=O)C1=CC=C[CH]1	ZINC001228473813	817915366	/nfs/dbraw/zinc/91/53/66/817915366.db2.gz	WXOCTMKUEPKBII-LLVKDONJSA-N	-1	0	265.288	3.090	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)ncc1Cl)C(=C)C	ZINC001228482041	817917420	/nfs/dbraw/zinc/91/74/20/817917420.db2.gz	IWGVWDWYOCJVHD-JTQLQIEISA-N	-1	0	254.717	3.125	20	30		CGEDRM
CC1(C#N)CN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232624636	818402698	/nfs/dbraw/zinc/40/26/98/818402698.db2.gz	QKXXCVZGEQUALY-UHFFFAOYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
N#C[C@H]1CCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232628194	818405309	/nfs/dbraw/zinc/40/53/09/818405309.db2.gz	QQTRBOFFGMEEKJ-MRVPVSSYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
N#Cc1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1F	ZINC001243323565	823347649	/nfs/dbraw/zinc/34/76/49/823347649.db2.gz	ZXPLZWKSGVTURG-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243323446	823347974	/nfs/dbraw/zinc/34/79/74/823347974.db2.gz	VPKJXYVDKDDSKC-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc([O-])c(F)c1F)CCCC2	ZINC001243339389	823353273	/nfs/dbraw/zinc/35/32/73/823353273.db2.gz	PANKHGRJJKJSLD-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
C#C[C@H](Oc1ccc2c(c1)C(=O)CO2)c1ccccc1	ZINC001233677078	818677018	/nfs/dbraw/zinc/67/70/18/818677018.db2.gz	DXJHBKLUGKZZSW-INIZCTEOSA-N	-1	0	264.280	3.015	20	30		CGEDRM
C#C[C@H](CC(C)C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234817893	818925882	/nfs/dbraw/zinc/92/58/82/818925882.db2.gz	GWGLBRQNLRFUCU-CYBMUJFWSA-N	-1	0	286.327	3.234	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3c(F)cc(F)c([O-])c3F)c12	ZINC001235997705	819265005	/nfs/dbraw/zinc/26/50/05/819265005.db2.gz	RVSWRBKLWBRYFO-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2)cc(F)c1C#N	ZINC001236066755	819298493	/nfs/dbraw/zinc/29/84/93/819298493.db2.gz	YLJIOHAISAMQAR-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c([O-])c(Cl)c1	ZINC001237997770	819906972	/nfs/dbraw/zinc/90/69/72/819906972.db2.gz	OWVDBKJYVNGASB-WLLOZRIZSA-N	-1	0	294.757	3.451	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(Cl)c([O-])c3)cnc12	ZINC001243584073	823455677	/nfs/dbraw/zinc/45/56/77/823455677.db2.gz	QJIKSNORIOHKGV-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
O=C([O-])c1ccc(-c2cc(/C=N/O)ccc2F)c(F)c1	ZINC001239262437	820244945	/nfs/dbraw/zinc/24/49/45/820244945.db2.gz	VTRKQCAURQBFSF-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
O=C([O-])c1ccc(-c2ccc3c(c2)CC/C3=N/O)c(F)c1	ZINC001239267075	820247900	/nfs/dbraw/zinc/24/79/00/820247900.db2.gz	QKHOUZRCEJEYGP-SDXDJHTJSA-N	-1	0	285.274	3.315	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239274564	820248864	/nfs/dbraw/zinc/24/88/64/820248864.db2.gz	AQJUYTKKIGCMTL-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1nc(C#N)cnc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243607947	823465733	/nfs/dbraw/zinc/46/57/33/823465733.db2.gz	RZAKYZKLQIWWBY-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1nc(-c2ccc(C(F)(F)F)cc2[O-])cnc1C#N	ZINC001243608806	823466689	/nfs/dbraw/zinc/46/66/89/823466689.db2.gz	WYWNGSXJXZYFHK-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1nc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1C#N	ZINC001240547786	821133955	/nfs/dbraw/zinc/13/39/55/821133955.db2.gz	XWMRTQSBEOLCRJ-VMPITWQZSA-N	-1	0	264.284	3.027	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccccc1CC#N	ZINC001240734983	821287946	/nfs/dbraw/zinc/28/79/46/821287946.db2.gz	OWATYFBEVCKKHS-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
Cc1nc(-c2ccc([O-])c(F)c2)c(C#N)c(C)c1C	ZINC001240786627	821327529	/nfs/dbraw/zinc/32/75/29/821327529.db2.gz	XJCNKOIWPUUFFB-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])s2)cc1F	ZINC001240847534	821368547	/nfs/dbraw/zinc/36/85/47/821368547.db2.gz	FCBGYWOKJDSFEC-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1cc(F)cc(-c2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001240973513	821456937	/nfs/dbraw/zinc/45/69/37/821456937.db2.gz	JXXCTUOAPIKGPL-UHFFFAOYSA-N	-1	0	269.275	3.300	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncnc2cc(C#N)ccc21	ZINC001240999590	821477404	/nfs/dbraw/zinc/47/74/04/821477404.db2.gz	PHRQAQMQXUUQNH-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccccc1[O-])CCCC2	ZINC001241009182	821487077	/nfs/dbraw/zinc/48/70/77/821487077.db2.gz	RXDHBYQIFVKCIF-UHFFFAOYSA-N	-1	0	250.301	3.205	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1c(F)cc([O-])cc1F	ZINC001241118734	821574464	/nfs/dbraw/zinc/57/44/64/821574464.db2.gz	FMJSQYDWQUSMFK-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1F	ZINC001241185985	821622746	/nfs/dbraw/zinc/62/27/46/821622746.db2.gz	TWCRXNRWHBPILD-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(F)c(C(=O)[O-])c3)nc2)CC1	ZINC001241242972	821663476	/nfs/dbraw/zinc/66/34/76/821663476.db2.gz	DZERRDBDUWICPP-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
N#CCc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1F	ZINC001241246070	821667703	/nfs/dbraw/zinc/66/77/03/821667703.db2.gz	PIHUDCFQEVJARD-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2cccc(C(=O)[O-])c2)[nH]1	ZINC001241359663	821760920	/nfs/dbraw/zinc/76/09/20/821760920.db2.gz	YLMWCIJNVLYQKW-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
COc1ccc(-c2ccc(F)c(CC#N)c2)cc1C(=O)[O-]	ZINC001241874345	822190379	/nfs/dbraw/zinc/19/03/79/822190379.db2.gz	FNGINVLMSHNJFO-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(-c2ccc(OC)c(C(=O)[O-])c2)c(CC#N)c1	ZINC001241875729	822191410	/nfs/dbraw/zinc/19/14/10/822191410.db2.gz	ZPPXTFDUHHOXRI-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cc(C(=O)[O-])cc(F)c1C	ZINC001242204879	822909473	/nfs/dbraw/zinc/90/94/73/822909473.db2.gz	HVQWSJCCTYUUOF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
C[Si](C)(C)C#Cc1cccnc1-c1ccc(C(=O)[O-])nc1	ZINC001242334821	822953658	/nfs/dbraw/zinc/95/36/58/822953658.db2.gz	QBMHOGAMVFOWRN-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
N#CCOc1ccc(-c2cccc(Cl)c2[O-])nc1	ZINC001242365565	822968916	/nfs/dbraw/zinc/96/89/16/822968916.db2.gz	OZYWPGJPOMEALY-UHFFFAOYSA-N	-1	0	260.680	3.010	20	30		CGEDRM
CCSc1ccccc1C([O-])=C(C#N)c1nccn1C	ZINC001346548017	936852810	/nfs/dbraw/zinc/85/28/10/936852810.db2.gz	FTHXWHZZECMPAX-GFCCVEGCSA-N	-1	0	285.372	3.022	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1c([O-])cccc1F	ZINC001353903534	937081045	/nfs/dbraw/zinc/08/10/45/937081045.db2.gz	FXPYRMMJOFEDHA-LLVKDONJSA-N	-1	0	263.312	3.102	20	30		CGEDRM
C=CCO[N-]C(=O)CSc1ccc2ccccc2c1	ZINC001449654348	937380491	/nfs/dbraw/zinc/38/04/91/937380491.db2.gz	IVFCPKOZNJNYHA-UHFFFAOYSA-N	-1	0	273.357	3.166	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CC[C@H](C(F)(F)F)CC1	ZINC001228901164	932047563	/nfs/dbraw/zinc/04/75/63/932047563.db2.gz	JUPFFJBVPNPFJV-MGCOHNPYSA-N	-1	0	286.253	3.159	20	30		CGEDRM
CCC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228901502	932048084	/nfs/dbraw/zinc/04/80/84/932048084.db2.gz	LULXJBNDZUJBIW-MRXNPFEDSA-N	-1	0	292.338	3.258	20	30		CGEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228912230	932050004	/nfs/dbraw/zinc/05/00/04/932050004.db2.gz	HWLFGWLGEIVQHP-JTQLQIEISA-N	-1	0	276.723	3.170	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc3c(c2)CCC3)c1	ZINC001317903329	933663576	/nfs/dbraw/zinc/66/35/76/933663576.db2.gz	FZNNMPDDBZFPOI-WOJGMQOQSA-N	-1	0	296.326	3.408	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC001520231453	938023992	/nfs/dbraw/zinc/02/39/92/938023992.db2.gz	NTOUTTRQXHYEHW-UHFFFAOYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
N#Cc1cccc(S[C@@H](C(=O)[O-])C2CC2)c1Cl	ZINC001605619995	973940604	/nfs/dbraw/zinc/94/06/04/973940604.db2.gz	QHTIWCAJFQKCSK-LLVKDONJSA-N	-1	0	267.737	3.167	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1c(C)cccc1C(=O)[O-])OCC	ZINC001602706850	971339797	/nfs/dbraw/zinc/33/97/97/971339797.db2.gz	CRTAWRQZCUVVQR-CYBMUJFWSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C=CCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2	ZINC001602718826	971377076	/nfs/dbraw/zinc/37/70/76/971377076.db2.gz	BYXMTUJHMZTOCW-VIFPVBQESA-N	-1	0	293.388	3.476	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000384910308	971966146	/nfs/dbraw/zinc/96/61/46/971966146.db2.gz	DFDLWAQHHUBXIC-UHFFFAOYSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000384947304	971968322	/nfs/dbraw/zinc/96/83/22/971968322.db2.gz	LCFDLJVBGGCIAX-UHFFFAOYSA-N	-1	0	296.754	3.372	20	30		CGEDRM
N#Cc1ccc(Cl)cc1OCc1ccccc1C(=O)[O-]	ZINC000128905643	958684566	/nfs/dbraw/zinc/68/45/66/958684566.db2.gz	YCQFZORNWCKKQJ-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
CCCCCCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000159375195	959116426	/nfs/dbraw/zinc/11/64/26/959116426.db2.gz	GJYVNSFOBZCONJ-UHFFFAOYSA-N	-1	0	295.339	3.460	20	30		CGEDRM
CC[C@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000162511829	959216403	/nfs/dbraw/zinc/21/64/03/959216403.db2.gz	MBUHQSSKPKBGMR-VIFPVBQESA-N	-1	0	255.726	3.167	20	30		CGEDRM
C=C[C@H](C)ON=C1CCC[C@@H](CCCC(=O)[O-])C1	ZINC001602812900	960548058	/nfs/dbraw/zinc/54/80/58/960548058.db2.gz	OSAJMQIWYJSBLA-RYUDHWBXSA-N	-1	0	253.342	3.379	20	30		CGEDRM
N#CCc1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000236475408	960657710	/nfs/dbraw/zinc/65/77/10/960657710.db2.gz	SFXFGDHXGPIKLN-UHFFFAOYSA-N	-1	0	284.290	3.202	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCc3ccccc3C2)c1	ZINC001567073251	961110074	/nfs/dbraw/zinc/11/00/74/961110074.db2.gz	RAQMWKHASNFJNJ-HNNXBMFYSA-N	-1	0	292.338	3.007	20	30		CGEDRM
C#C[C@](C)(CC)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001569253731	961725461	/nfs/dbraw/zinc/72/54/61/961725461.db2.gz	PQWBFHHGFBRPGQ-CYBMUJFWSA-N	-1	0	286.158	3.231	20	30		CGEDRM
CC#CCCCC(=O)N(c1ccccc1C(=O)[O-])C1CCC1	ZINC001573384316	962257947	/nfs/dbraw/zinc/25/79/47/962257947.db2.gz	IMBPLLUAICOCOM-UHFFFAOYSA-N	-1	0	299.370	3.464	20	30		CGEDRM
C#C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)C(C)(C)C	ZINC001588377670	962756712	/nfs/dbraw/zinc/75/67/12/962756712.db2.gz	PKBZZWBRSOQMBG-QWHCGFSZSA-N	-1	0	279.767	3.103	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)c2cc(C(=O)[O-])co2)c1	ZINC001573326493	962805554	/nfs/dbraw/zinc/80/55/54/962805554.db2.gz	XLMJKUXIZPUFLJ-UHFFFAOYSA-N	-1	0	271.272	3.263	20	30		CGEDRM
C=C[C@H](C)ONC(=O)CCc1ccc2ccccc2c1O	ZINC001583407816	962806625	/nfs/dbraw/zinc/80/66/25/962806625.db2.gz	GAQRMHFCKBARSE-LBPRGKRZSA-N	-1	0	285.343	3.100	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)c(C)c1Cl	ZINC001573336428	962857955	/nfs/dbraw/zinc/85/79/55/962857955.db2.gz	CBCVEEGFFYVGBD-UHFFFAOYSA-N	-1	0	281.739	3.316	20	30		CGEDRM
C=CCC1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCCC1	ZINC001573353486	963002838	/nfs/dbraw/zinc/00/28/38/963002838.db2.gz	WWDWEWXTYFAZID-UHFFFAOYSA-N	-1	0	287.359	3.251	20	30		CGEDRM
C=C1CCC(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)CC1	ZINC001588644189	963019837	/nfs/dbraw/zinc/01/98/37/963019837.db2.gz	GOYDXUVHYLVBAT-UHFFFAOYSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=CCCCCCN(C)C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001573364680	963049369	/nfs/dbraw/zinc/04/93/69/963049369.db2.gz	ALHIXEQCQVTHCO-HJWRWDBZSA-N	-1	0	291.347	3.196	20	30		CGEDRM
C=C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000302410987	963082053	/nfs/dbraw/zinc/08/20/53/963082053.db2.gz	PUTKHKHBSMBGCX-HNNXBMFYSA-N	-1	0	253.301	3.405	20	30		CGEDRM
C#CCC(C)(C)COC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588390291	963268891	/nfs/dbraw/zinc/26/88/91/963268891.db2.gz	QKYNLJRPKCLFEM-UHFFFAOYSA-N	-1	0	294.734	3.245	20	30		CGEDRM
C#C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1	ZINC001588377576	963269271	/nfs/dbraw/zinc/26/92/71/963269271.db2.gz	NEJKLXOVQZGDNE-HZPDHXFCSA-N	-1	0	299.757	3.430	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cn2)CCCCC1	ZINC001588457589	963274057	/nfs/dbraw/zinc/27/40/57/963274057.db2.gz	GROQWNLXGXHBCD-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])c(Cl)c1	ZINC001588518268	963275264	/nfs/dbraw/zinc/27/52/64/963275264.db2.gz	YZOFWHZTIFOQBY-UHFFFAOYSA-N	-1	0	299.713	3.272	20	30		CGEDRM
C=C(C)C[C@H](Nc1ncnc2sc(C)c(C)c21)C(=O)[O-]	ZINC001588554880	963287040	/nfs/dbraw/zinc/28/70/40/963287040.db2.gz	SIIIDDKKRKHECY-JTQLQIEISA-N	-1	0	291.376	3.139	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(SC)c(Cl)c1	ZINC001588633336	963291749	/nfs/dbraw/zinc/29/17/49/963291749.db2.gz	FYKRNCYQWZADDW-UHFFFAOYSA-N	-1	0	299.779	3.421	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1/C=C\c1ccccc1	ZINC001588615407	963292055	/nfs/dbraw/zinc/29/20/55/963292055.db2.gz	SSHDDQBAGFHIFE-SNGWPZLWSA-N	-1	0	299.370	3.112	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(C)cc1C	ZINC001588606752	963295301	/nfs/dbraw/zinc/29/53/01/963295301.db2.gz	IIMMAIAOUTYDDB-AWEZNQCLSA-N	-1	0	289.375	3.244	20	30		CGEDRM
C=C1CC(C)(c2noc([C@H]3CCCC[C@H]3C(=O)[O-])n2)C1	ZINC001588644386	963296143	/nfs/dbraw/zinc/29/61/43/963296143.db2.gz	TYNUIUDCEZUPGF-WDEREUQCSA-N	-1	0	276.336	3.036	20	30		CGEDRM
C=C[C@@H](OC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1	ZINC001588713361	963303509	/nfs/dbraw/zinc/30/35/09/963303509.db2.gz	VPPAQIVUEHRQKP-CFRMROPGSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=C[C@H](Nc1cccc(COc2ccccc2)c1)C(=O)[O-]	ZINC001588701898	963306637	/nfs/dbraw/zinc/30/66/37/963306637.db2.gz	CHTTVZYXSVELSA-INIZCTEOSA-N	-1	0	283.327	3.317	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2C)CCC1	ZINC001588765073	963308201	/nfs/dbraw/zinc/30/82/01/963308201.db2.gz	PRDUVOQFDKUDGW-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=CCC(C)(C)C(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC001588736826	963309918	/nfs/dbraw/zinc/30/99/18/963309918.db2.gz	VVUJLYNBXHNEAW-UHFFFAOYSA-N	-1	0	280.320	3.186	20	30		CGEDRM
C=CCC1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCCCC1	ZINC001588763503	963310445	/nfs/dbraw/zinc/31/04/45/963310445.db2.gz	UACQSVKGHOENFN-CQSZACIVSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC001588735474	963311927	/nfs/dbraw/zinc/31/19/27/963311927.db2.gz	AQXDCHYINNPCDY-ZDUSSCGKSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC001588782457	963317431	/nfs/dbraw/zinc/31/74/31/963317431.db2.gz	FPWMLVVCGGHVFW-LLVKDONJSA-N	-1	0	261.321	3.170	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588772251	963318058	/nfs/dbraw/zinc/31/80/58/963318058.db2.gz	BGIDKJKJVMMMSS-CYBMUJFWSA-N	-1	0	288.347	3.130	20	30		CGEDRM
C=CCN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-]	ZINC001588822252	963321239	/nfs/dbraw/zinc/32/12/39/963321239.db2.gz	BNSHOTHBIHZGQP-UHFFFAOYSA-N	-1	0	295.338	3.310	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@]1(C)CCCO1	ZINC001589016867	963342330	/nfs/dbraw/zinc/34/23/30/963342330.db2.gz	NBYOMPKUQQGWAE-CQSZACIVSA-N	-1	0	296.754	3.395	20	30		CGEDRM
C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(C(=O)[O-])c1	ZINC001589175184	963351400	/nfs/dbraw/zinc/35/14/00/963351400.db2.gz	ROEIURWYSAWLHJ-ZDUSSCGKSA-N	-1	0	294.354	3.449	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccccc1C(=O)[O-]	ZINC000312715606	963587686	/nfs/dbraw/zinc/58/76/86/963587686.db2.gz	GRUPZISXMOHOAA-UHFFFAOYSA-N	-1	0	275.348	3.251	20	30		CGEDRM
CCCCCCCCNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001589645091	964013437	/nfs/dbraw/zinc/01/34/37/964013437.db2.gz	NIPHAAGTKKIIDP-UHFFFAOYSA-N	-1	0	293.367	3.262	20	30		CGEDRM
C#CCCCCCC(=O)Oc1cc(CC)ccc1C(=O)[O-]	ZINC001588441521	964052450	/nfs/dbraw/zinc/05/24/50/964052450.db2.gz	HSSHNIOQUQMXHV-UHFFFAOYSA-N	-1	0	288.343	3.436	20	30		CGEDRM
C[C@H](CC#N)N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC001592221339	977397335	/nfs/dbraw/zinc/39/73/35/977397335.db2.gz	CBKNJYALJKOLCK-RDDDGLTNSA-N	-1	0	287.146	3.011	20	30		CGEDRM
CC[C@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001595436167	981068108	/nfs/dbraw/zinc/06/81/08/981068108.db2.gz	PJHGSMULLIQYQW-WDEREUQCSA-N	-1	0	273.336	3.032	20	30		CGEDRM
CC/C=C/CCON=C(C)c1ccc(OCC(=O)[O-])cc1	ZINC001595520317	981335880	/nfs/dbraw/zinc/33/58/80/981335880.db2.gz	DYIOVCNSXWJIHZ-NXEJLFEBSA-N	-1	0	291.347	3.247	20	30		CGEDRM
CCCC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595631300	981836395	/nfs/dbraw/zinc/83/63/95/981836395.db2.gz	KBFPEEKWELNXFP-RISCZKNCSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCC[C@@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC001595988096	983242066	/nfs/dbraw/zinc/24/20/66/983242066.db2.gz	YEMXJBMTPUAREO-AYCSXLNKSA-N	-1	0	271.316	3.218	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001588690976	983877869	/nfs/dbraw/zinc/87/78/69/983877869.db2.gz	NRYNBUFTCPBQIF-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
CCc1ccccc1NN=Cc1cc(C)c(C(=O)[O-])[nH]1	ZINC001597615307	988533793	/nfs/dbraw/zinc/53/37/93/988533793.db2.gz	XTPHDCAFAYGTBB-UHFFFAOYSA-N	-1	0	271.320	3.030	20	30		CGEDRM
CC(C)(CCC#N)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001590655864	990351602	/nfs/dbraw/zinc/35/16/02/990351602.db2.gz	GOTKKMSKGSEUQG-UHFFFAOYSA-N	-1	0	291.307	3.035	20	30		CGEDRM
CC(C)CON=Cc1ccc(C(=O)[O-])c(Cl)c1	ZINC001591397049	992464864	/nfs/dbraw/zinc/46/48/64/992464864.db2.gz	JNPLNBISSITWIZ-UHFFFAOYSA-N	-1	0	255.701	3.045	20	30		CGEDRM
CN(Cc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1	ZINC001598527990	992744175	/nfs/dbraw/zinc/74/41/75/992744175.db2.gz	XLTFGPMBDAACEK-UHFFFAOYSA-N	-1	0	284.290	3.032	20	30		CGEDRM
C=C1CCN(C(=O)c2cc(O)cc(C(F)(F)F)c2)CC1	ZINC000621856887	349597562	/nfs/dbraw/zinc/59/75/62/349597562.db2.gz	IEDCQOFCLPAGFF-UHFFFAOYSA-N	-1	0	285.265	3.203	20	30		CGEDRM
C[C@@H](C(=O)[N-]S(C)(=O)=O)c1c(Cl)cccc1Cl	ZINC000071892359	295691211	/nfs/dbraw/zinc/69/12/11/295691211.db2.gz	WYKYDVPGTNBOBG-ZCFIWIBFSA-N	-1	0	296.175	3.013	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc3ccccc3o2)nc(C)n1	ZINC000041574415	344972138	/nfs/dbraw/zinc/97/21/38/344972138.db2.gz	WCPUTNAZORDWJM-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
N#CC(=C([O-])c1cocn1)c1nc(-c2ccccc2)cs1	ZINC000105759050	345929442	/nfs/dbraw/zinc/92/94/42/345929442.db2.gz	KJDLLNSACXLXKI-LLVKDONJSA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cn1ccc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc21	ZINC000188360626	232449421	/nfs/dbraw/zinc/44/94/21/232449421.db2.gz	XUVQQUMKGDNMRX-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
CC[C@H](C)n1nc(N=c2[n-]c(C#N)c(Cl)s2)cc1C	ZINC000596186626	347395713	/nfs/dbraw/zinc/39/57/13/347395713.db2.gz	SSTFMBXULBZRIG-ZETCQYMHSA-N	-1	0	295.799	3.310	20	30		CGEDRM
C[C@H](N=c1[n-]c(-c2ccccc2)no1)c1cccc(C#N)c1	ZINC000610340459	348375588	/nfs/dbraw/zinc/37/55/88/348375588.db2.gz	YMGUHHRQBMMWQN-LBPRGKRZSA-N	-1	0	290.326	3.203	20	30		CGEDRM
CC(C)c1n[n-]c(=N[C@H]2CCc3cc(C#N)ccc32)s1	ZINC000618693325	349145355	/nfs/dbraw/zinc/14/53/55/349145355.db2.gz	DXZHXWLZGSKEMY-ZDUSSCGKSA-N	-1	0	284.388	3.054	20	30		CGEDRM
C=CCC1(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000630291309	350821474	/nfs/dbraw/zinc/82/14/74/350821474.db2.gz	AFLCKRPHENPGOQ-UONOGXRCSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000630296481	350821878	/nfs/dbraw/zinc/82/18/78/350821878.db2.gz	DNJVIAWOSWRNMP-HIFRSBDPSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC000630319564	350823361	/nfs/dbraw/zinc/82/33/61/350823361.db2.gz	CMWJDBWZCUJDEI-CYBMUJFWSA-N	-1	0	295.766	3.106	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000630320431	350823533	/nfs/dbraw/zinc/82/35/33/350823533.db2.gz	WKSDCHSXIVMPRW-OAHLLOKOSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000634933079	351605829	/nfs/dbraw/zinc/60/58/29/351605829.db2.gz	PAUKTDYSHHJHHL-UHFFFAOYSA-N	-1	0	297.301	3.138	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000191319505	189591704	/nfs/dbraw/zinc/59/17/04/189591704.db2.gz	KMNWXPYENHINFY-UHFFFAOYSA-N	-1	0	279.380	3.001	20	30		CGEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000128569158	370964342	/nfs/dbraw/zinc/96/43/42/370964342.db2.gz	ZXPYWUWNXOOZMU-LLVKDONJSA-N	-1	0	274.345	3.405	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000424669638	372091666	/nfs/dbraw/zinc/09/16/66/372091666.db2.gz	YIAORMJCMFWSMM-UHFFFAOYSA-N	-1	0	293.417	3.229	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000436483291	372836475	/nfs/dbraw/zinc/83/64/75/372836475.db2.gz	BXHSHMOYBHNURF-SECBINFHSA-N	-1	0	271.719	3.269	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1	ZINC000448538523	373581534	/nfs/dbraw/zinc/58/15/34/373581534.db2.gz	PHUQAEHJVLJXDC-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CC(C)Cn1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cn1	ZINC000180735590	374041341	/nfs/dbraw/zinc/04/13/41/374041341.db2.gz	GDRUGPNFWKZRFR-HWKANZROSA-N	-1	0	288.322	3.280	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000539454278	376313087	/nfs/dbraw/zinc/31/30/87/376313087.db2.gz	UXWSXHZRQLECRW-JTQLQIEISA-N	-1	0	296.440	3.124	20	30		CGEDRM
C=C1CCN(C(=O)c2ccc(C(C)C)cc2O)CC1	ZINC000264076605	190091122	/nfs/dbraw/zinc/09/11/22/190091122.db2.gz	HPYXAFAEHDNVCW-UHFFFAOYSA-N	-1	0	259.349	3.308	20	30		CGEDRM
Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000562370450	377304030	/nfs/dbraw/zinc/30/40/30/377304030.db2.gz	HPESQKVQMSCDDP-LBPRGKRZSA-N	-1	0	298.346	3.003	20	30		CGEDRM
CCOc1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000341337620	377514881	/nfs/dbraw/zinc/51/48/81/377514881.db2.gz	BJDDTVXIPZPXCI-VURMDHGXSA-N	-1	0	294.310	3.221	20	30		CGEDRM
C[C@H](C#N)CN(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000271148404	378462859	/nfs/dbraw/zinc/46/28/59/378462859.db2.gz	ZUJDGRIDFOWCJV-MRVPVSSYSA-N	-1	0	273.163	3.290	20	30		CGEDRM
N#CC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCC1	ZINC000335254821	542466560	/nfs/dbraw/zinc/46/65/60/542466560.db2.gz	AQUVYFCEQRYASN-UHFFFAOYSA-N	-1	0	299.157	3.123	20	30		CGEDRM
CC1(C)CC(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1	ZINC000329079570	392678672	/nfs/dbraw/zinc/67/86/72/392678672.db2.gz	CBPNGVATGUZNST-UHFFFAOYSA-N	-1	0	286.335	3.202	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ns1	ZINC000647379514	392711864	/nfs/dbraw/zinc/71/18/64/392711864.db2.gz	OUJMUOAFDGXZIG-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
CCc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1C	ZINC000647379908	392712033	/nfs/dbraw/zinc/71/20/33/392712033.db2.gz	XRSGPBXYETVDRV-GFCCVEGCSA-N	-1	0	299.399	3.411	20	30		CGEDRM
Cc1ccc2sc(C([O-])=C(C#N)c3ccncn3)cc2c1	ZINC000355203662	393255375	/nfs/dbraw/zinc/25/53/75/393255375.db2.gz	IZKSJOOKFDSIKV-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCC1	ZINC000649259165	393387556	/nfs/dbraw/zinc/38/75/56/393387556.db2.gz	SQNWKGGGNKLVKN-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1cnc2ccccc2c1O	ZINC000281855535	393357734	/nfs/dbraw/zinc/35/77/34/393357734.db2.gz	YKALMZCUSGSYCF-LLVKDONJSA-N	-1	0	270.332	3.025	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000679838633	543664458	/nfs/dbraw/zinc/66/44/58/543664458.db2.gz	AYPIOYDKHDDXDC-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#CC(=C([O-])c1ocnc1C1CC1)c1nc2ccccc2o1	ZINC000685143012	544054832	/nfs/dbraw/zinc/05/48/32/544054832.db2.gz	DSJQONALPZADPE-JTQLQIEISA-N	-1	0	293.282	3.183	20	30		CGEDRM
C=C(C)CN(C)[C@H](C(=O)[O-])c1ccccc1Br	ZINC000659788003	418990347	/nfs/dbraw/zinc/99/03/47/418990347.db2.gz	WWMLIZBKKFAMPK-LBPRGKRZSA-N	-1	0	298.180	3.083	20	30		CGEDRM
C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC=CCC1	ZINC000331361614	264210331	/nfs/dbraw/zinc/21/03/31/264210331.db2.gz	ZHJHMDGBLRQXLP-CQSZACIVSA-N	-1	0	276.292	3.104	20	30		CGEDRM
C=CCSc1ccccc1C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000362763008	267042679	/nfs/dbraw/zinc/04/26/79/267042679.db2.gz	ONAGGLPQLOXHGE-UHFFFAOYSA-N	-1	0	299.399	3.046	20	30		CGEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccccc1[O-]	ZINC000280947477	328237273	/nfs/dbraw/zinc/23/72/73/328237273.db2.gz	IRUOMRZRVJSFIU-CMDGGOBGSA-N	-1	0	270.332	3.374	20	30		CGEDRM
COc1ccc(-c2ccsc2C#N)cc1C1(C(=O)[O-])CC1	ZINC000566925596	322143716	/nfs/dbraw/zinc/14/37/16/322143716.db2.gz	ALEJAYNPZWHZDT-UHFFFAOYSA-N	-1	0	299.351	3.412	20	30		CGEDRM
COc1ccc(-c2ccc(C#N)s2)cc1C1(C(=O)[O-])CC1	ZINC000570345070	322271454	/nfs/dbraw/zinc/27/14/54/322271454.db2.gz	FKAMTOMAEZVMDI-UHFFFAOYSA-N	-1	0	299.351	3.412	20	30		CGEDRM
C=CCN=c1[n-]nc(SCC/C=C/CC)s1	ZINC000381556651	327595796	/nfs/dbraw/zinc/59/57/96/327595796.db2.gz	PHISVNIJNVGEOQ-AATRIKPKSA-N	-1	0	255.412	3.006	20	30		CGEDRM
N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1ccccn1	ZINC000171480984	329076380	/nfs/dbraw/zinc/07/63/80/329076380.db2.gz	AMEUEMCSYKXLLM-SNVBAGLBSA-N	-1	0	295.323	3.288	20	30		CGEDRM
C=CCN(Cc1ccc(Cl)s1)[C@@H](CC)C(=O)[O-]	ZINC000263196730	330048525	/nfs/dbraw/zinc/04/85/25/330048525.db2.gz	WPOXMLBTHLGKPB-JTQLQIEISA-N	-1	0	273.785	3.253	20	30		CGEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1	ZINC000088475021	330376487	/nfs/dbraw/zinc/37/64/87/330376487.db2.gz	QIFYUMMCGSEYGG-JTQLQIEISA-N	-1	0	293.175	3.037	20	30		CGEDRM
CC#CCCSc1n[n-]c(=Nc2cccc(F)c2)s1	ZINC000462384059	331321142	/nfs/dbraw/zinc/32/11/42/331321142.db2.gz	LFJSVJFQULXXEQ-UHFFFAOYSA-N	-1	0	293.392	3.348	20	30		CGEDRM
C=CCN=c1[n-]nc(SCc2c(F)cccc2F)s1	ZINC000502852378	332674077	/nfs/dbraw/zinc/67/40/77/332674077.db2.gz	FBCBREOVQGNYLP-UHFFFAOYSA-N	-1	0	299.371	3.128	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)s1	ZINC000178700839	333077029	/nfs/dbraw/zinc/07/70/29/333077029.db2.gz	IKAMOLOULXHINW-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CCC(CC=C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000538579420	333607143	/nfs/dbraw/zinc/60/71/43/333607143.db2.gz	YPTKRIPOPIEHBW-UHFFFAOYSA-N	-1	0	293.407	3.296	20	30		CGEDRM
CCc1nc(SCc2ccc(C#N)s2)[nH]c(=O)c1C	ZINC000576887747	335261091	/nfs/dbraw/zinc/26/10/91/335261091.db2.gz	PFOYZSBFDIPHPN-UHFFFAOYSA-N	-1	0	291.401	3.279	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)nsc2C)n1	ZINC000581980104	336183475	/nfs/dbraw/zinc/18/34/75/336183475.db2.gz	JQMHZSOJNCHJDP-SECBINFHSA-N	-1	0	277.374	3.015	20	30		CGEDRM
CC(C)(CCNc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC000424381633	527049214	/nfs/dbraw/zinc/04/92/14/527049214.db2.gz	ZCJGSQBDEPVXAK-UHFFFAOYSA-N	-1	0	266.728	3.124	20	30		CGEDRM
O=C([N-]C1(C(F)(F)F)CCCCC1)C(F)(F)C(F)F	ZINC000749391773	572996448	/nfs/dbraw/zinc/99/64/48/572996448.db2.gz	ZAOPVGLNNIEYLF-UHFFFAOYSA-N	-1	0	295.198	3.268	20	30		CGEDRM
COc1ccc(O)c(/C=N\[C@H](CC(=O)[O-])c2ccccc2)c1	ZINC000738041827	572363282	/nfs/dbraw/zinc/36/32/82/572363282.db2.gz	MGBHWDOQHDCWAQ-JQFNYASXSA-N	-1	0	299.326	3.036	20	30		CGEDRM
Cc1cc(NCCOc2ccc(C#N)cc2)ccc1C(=O)[O-]	ZINC000738460127	572376520	/nfs/dbraw/zinc/37/65/20/572376520.db2.gz	PEYILZALXFIACF-UHFFFAOYSA-N	-1	0	296.326	3.056	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)C2	ZINC000738665389	572385769	/nfs/dbraw/zinc/38/57/69/572385769.db2.gz	OLICMIIYDGWENM-DHZHZOJOSA-N	-1	0	268.268	3.109	20	30		CGEDRM
Cc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738736724	572390467	/nfs/dbraw/zinc/39/04/67/572390467.db2.gz	TXQIHDHHDCNEQH-OAHLLOKOSA-N	-1	0	266.300	3.105	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(F)c(NC(=O)[O-])c2)cc1	ZINC000739117324	572402983	/nfs/dbraw/zinc/40/29/83/572402983.db2.gz	DDSJARIQULEWJB-UHFFFAOYSA-N	-1	0	285.278	3.399	20	30		CGEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cccc(Cl)c1F	ZINC000740621768	572448923	/nfs/dbraw/zinc/44/89/23/572448923.db2.gz	ZCBKPTSJVOGIMH-QMMMGPOBSA-N	-1	0	299.733	3.315	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cn1	ZINC000732713541	572478663	/nfs/dbraw/zinc/47/86/63/572478663.db2.gz	BOXPPVZMRTXDIV-ARJAWSKDSA-N	-1	0	290.344	3.120	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cn1	ZINC000732714197	572478985	/nfs/dbraw/zinc/47/89/85/572478985.db2.gz	NSVJLUINFKNRSJ-ARJAWSKDSA-N	-1	0	290.344	3.120	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C(C)C	ZINC000736108215	572768206	/nfs/dbraw/zinc/76/82/06/572768206.db2.gz	NOPXBWHUAYESBI-UHFFFAOYSA-N	-1	0	295.314	3.344	20	30		CGEDRM
C=CCCCSCCOc1cccc(C(=O)[O-])c1	ZINC000736102494	572768414	/nfs/dbraw/zinc/76/84/14/572768414.db2.gz	LHGSXISPXRQODN-UHFFFAOYSA-N	-1	0	266.362	3.463	20	30		CGEDRM
C=CCn1c(SC/C=C(\C)C(=O)[O-])nc2ccccc21	ZINC000736117497	572769181	/nfs/dbraw/zinc/76/91/81/572769181.db2.gz	LBVZHSVYQKJUEP-DHZHZOJOSA-N	-1	0	288.372	3.345	20	30		CGEDRM
CC(=NN=Cc1c(O)ccc2ccccc21)c1cnccn1	ZINC000745203248	572806514	/nfs/dbraw/zinc/80/65/14/572806514.db2.gz	HTMAPXTVIKWRRC-UHFFFAOYSA-N	-1	0	290.326	3.179	20	30		CGEDRM
C[C@@H](Oc1cccc(C=NOCc2ccccc2)c1)C(=O)[O-]	ZINC000746681595	572891635	/nfs/dbraw/zinc/89/16/35/572891635.db2.gz	FOZFBWZRPWOSIK-CYBMUJFWSA-N	-1	0	299.326	3.089	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=CC2CC2)n1	ZINC000747198003	572918410	/nfs/dbraw/zinc/91/84/10/572918410.db2.gz	REVYCZNFOLJBCL-GZTOBOFZSA-N	-1	0	260.362	3.409	20	30		CGEDRM
COc1ccc(C#N)cc1N=Cc1c(O)cccc1OC	ZINC000747362316	572926790	/nfs/dbraw/zinc/92/67/90/572926790.db2.gz	XGFYNUYXYPKTEM-UHFFFAOYSA-N	-1	0	282.299	3.032	20	30		CGEDRM
COc1ccc2c(c1)C(=NNc1ccccc1C(=O)[O-])CC2	ZINC000747629609	572937662	/nfs/dbraw/zinc/93/76/62/572937662.db2.gz	GVGSVNJCMJQOGU-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1	ZINC000748005518	572957268	/nfs/dbraw/zinc/95/72/68/572957268.db2.gz	RGZRJLXSSNXXST-KGLIPLIRSA-N	-1	0	296.301	3.145	20	30		CGEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccsc1	ZINC000748410989	572975850	/nfs/dbraw/zinc/97/58/50/572975850.db2.gz	RNWMNYJZELPUNT-VIFPVBQESA-N	-1	0	272.329	3.068	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@H](C)CCc2ccccc2)n1	ZINC000749159165	572990043	/nfs/dbraw/zinc/99/00/43/572990043.db2.gz	SDHPFGUEMXTAHZ-GFCCVEGCSA-N	-1	0	284.363	3.157	20	30		CGEDRM
[O-]c1c(F)cc(C=NNCc2ccccc2Cl)cc1F	ZINC000749857755	573048961	/nfs/dbraw/zinc/04/89/61/573048961.db2.gz	GYRWJRWTVIBSGW-UHFFFAOYSA-N	-1	0	296.704	3.448	20	30		CGEDRM
CC1(C)CCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749930424	573061771	/nfs/dbraw/zinc/06/17/71/573061771.db2.gz	KPCSMIHCYQOFEG-GRRFOWRYSA-N	-1	0	262.309	3.298	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000398209544	598186673	/nfs/dbraw/zinc/18/66/73/598186673.db2.gz	IUCPKGGLXVXQFB-GFCCVEGCSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000398209545	598186732	/nfs/dbraw/zinc/18/67/32/598186732.db2.gz	IUCPKGGLXVXQFB-LBPRGKRZSA-N	-1	0	290.363	3.180	20	30		CGEDRM
CCCCCCCC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000102967535	600047833	/nfs/dbraw/zinc/04/78/33/600047833.db2.gz	WLXJYWRQUZJMRC-UHFFFAOYSA-N	-1	0	269.385	3.107	20	30		CGEDRM
C=CCCO[C@H](C)c1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000825676048	600695302	/nfs/dbraw/zinc/69/53/02/600695302.db2.gz	QBDRBSYQIPUQMS-SNVBAGLBSA-N	-1	0	288.303	3.089	20	30		CGEDRM
Cc1cc(COc2c(C)cc(C#N)cc2C)oc1C(=O)[O-]	ZINC000088153349	600804907	/nfs/dbraw/zinc/80/49/07/600804907.db2.gz	PESGEKHGODHWGD-UHFFFAOYSA-N	-1	0	285.299	3.354	20	30		CGEDRM
C=CCOc1ccc(OCc2cc(C(=O)[O-])co2)cc1	ZINC000825698818	600808285	/nfs/dbraw/zinc/80/82/85/600808285.db2.gz	LUVRTZYUDCENFQ-UHFFFAOYSA-N	-1	0	274.272	3.122	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2Cl)[nH]1	ZINC000833312371	601330362	/nfs/dbraw/zinc/33/03/62/601330362.db2.gz	OKMANZIPTRQVGB-SOFGYWHQSA-N	-1	0	275.691	3.262	20	30		CGEDRM
CCCCC[C@H](/N=C\c1cc(OCC)ccc1O)C(=O)[O-]	ZINC000829311687	601365232	/nfs/dbraw/zinc/36/52/32/601365232.db2.gz	IOWWZLGUARAITB-FMNVXAMXSA-N	-1	0	293.363	3.243	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)[nH]1	ZINC000833095331	601445537	/nfs/dbraw/zinc/44/55/37/601445537.db2.gz	RXPWBDLWJDETRY-ZZXKWVIFSA-N	-1	0	293.681	3.402	20	30		CGEDRM
CCCCCCCCCC(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000829356871	601660630	/nfs/dbraw/zinc/66/06/30/601660630.db2.gz	LPJLJUYMRNWVEQ-HNNXBMFYSA-N	-1	0	287.375	3.152	20	30		CGEDRM
O=C([O-])c1occc1/C=C\C(=O)c1cc(F)cc(F)c1	ZINC000833093764	601763679	/nfs/dbraw/zinc/76/36/79/601763679.db2.gz	AGRIEQBJZCDWCA-UPHRSURJSA-N	-1	0	278.210	3.152	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2F)o1	ZINC000833311716	601825920	/nfs/dbraw/zinc/82/59/20/601825920.db2.gz	BNSLOQNYRXQDOL-FNORWQNLSA-N	-1	0	260.220	3.013	20	30		CGEDRM
CC(C)(C#N)CCCNc1ccc(C(=O)[O-])c(F)c1	ZINC000826071953	601909637	/nfs/dbraw/zinc/90/96/37/601909637.db2.gz	QCFRBGACQVTSGN-UHFFFAOYSA-N	-1	0	264.300	3.266	20	30		CGEDRM
C[C@H](Oc1ccc(C=NOCc2ccccc2)cc1)C(=O)[O-]	ZINC000794888108	602071244	/nfs/dbraw/zinc/07/12/44/602071244.db2.gz	KYDNFWCNDYLFHV-ZDUSSCGKSA-N	-1	0	299.326	3.089	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823497183	603933794	/nfs/dbraw/zinc/93/37/94/603933794.db2.gz	XUWRUWZCGGNKPE-LLVKDONJSA-N	-1	0	276.336	3.310	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1COc1cccc(F)c1C#N	ZINC000833680304	604530010	/nfs/dbraw/zinc/53/00/10/604530010.db2.gz	HWVSDWGFFPKPLK-UHFFFAOYSA-N	-1	0	289.262	3.130	20	30		CGEDRM
Cc1cc([C@H](C)OC(=O)c2ccc(C#N)cc2)oc1C(=O)[O-]	ZINC000832877395	604544967	/nfs/dbraw/zinc/54/49/67/604544967.db2.gz	YDMCLWUQJLZOHL-JTQLQIEISA-N	-1	0	299.282	3.076	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833430036	604609328	/nfs/dbraw/zinc/60/93/28/604609328.db2.gz	FBMPRHUFIDKQGM-UHFFFAOYSA-N	-1	0	299.374	3.018	20	30		CGEDRM
CCc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000763369951	604668525	/nfs/dbraw/zinc/66/85/25/604668525.db2.gz	ZCMRLBCCRLOAHE-UHFFFAOYSA-N	-1	0	289.360	3.240	20	30		CGEDRM
C=C[C@H](CC(=O)N[C@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000761649037	604771087	/nfs/dbraw/zinc/77/10/87/604771087.db2.gz	ISSPEXNABMJPEF-CXAGYDPISA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C[C@H](CC(=O)O[C@@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000833370343	604782010	/nfs/dbraw/zinc/78/20/10/604782010.db2.gz	BZRDFEHJLKHDKZ-HIFRSBDPSA-N	-1	0	290.359	3.389	20	30		CGEDRM
O=C([O-])c1cccnc1SCC#Cc1ccc(F)cc1	ZINC000833334221	604801954	/nfs/dbraw/zinc/80/19/54/604801954.db2.gz	BRPUSNWLRNZFJG-UHFFFAOYSA-N	-1	0	287.315	3.063	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000833374342	605076761	/nfs/dbraw/zinc/07/67/61/605076761.db2.gz	YBMSSPFMEGWYJP-JTQLQIEISA-N	-1	0	292.379	3.058	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C#N)s1	ZINC000762447265	605097811	/nfs/dbraw/zinc/09/78/11/605097811.db2.gz	OBWSDSSZDICYMP-UHFFFAOYSA-N	-1	0	285.328	3.154	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000812444680	605098515	/nfs/dbraw/zinc/09/85/15/605098515.db2.gz	LJNSTSJBPWWRJM-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C=CCC[C@H](OC(=O)c1cccc(C(=O)[O-])c1)C1CC1	ZINC000833373286	605118027	/nfs/dbraw/zinc/11/80/27/605118027.db2.gz	JOMILRNNJXKTSH-AWEZNQCLSA-N	-1	0	274.316	3.286	20	30		CGEDRM
C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000833525188	605218944	/nfs/dbraw/zinc/21/89/44/605218944.db2.gz	NLLSFRDQMDXDLX-LBPRGKRZSA-N	-1	0	295.342	3.499	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000783863742	605328912	/nfs/dbraw/zinc/32/89/12/605328912.db2.gz	RMJNZZVUCKEYRW-GHMZBOCLSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C#CCCCCCC(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000833361780	605613999	/nfs/dbraw/zinc/61/39/99/605613999.db2.gz	LITDLYTZGYTKFL-UHFFFAOYSA-N	-1	0	287.359	3.321	20	30		CGEDRM
C[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)[C@H]1C	ZINC000781128346	605783206	/nfs/dbraw/zinc/78/32/06/605783206.db2.gz	QOKUOIVTEOPTJO-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1	ZINC000899855345	620731901	/nfs/dbraw/zinc/73/19/01/620731901.db2.gz	VMFQITLAQWILSD-LLVKDONJSA-N	-1	0	261.321	3.159	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1	ZINC000899854704	620732065	/nfs/dbraw/zinc/73/20/65/620732065.db2.gz	NGYHFUXEWVDBCN-CABCVRRESA-N	-1	0	285.343	3.325	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c(C)s1	ZINC000049501679	617611230	/nfs/dbraw/zinc/61/12/30/617611230.db2.gz	FSWIEFSGNOMPDZ-NSHDSACASA-N	-1	0	299.417	3.366	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000806559054	617720893	/nfs/dbraw/zinc/72/08/93/617720893.db2.gz	SWRYNDAQAHWEKS-CMDGGOBGSA-N	-1	0	282.295	3.290	20	30		CGEDRM
N#Cc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)ccc1F	ZINC000806559052	617721091	/nfs/dbraw/zinc/72/10/91/617721091.db2.gz	SVVGUUXFHQIVCY-ALCCZGGFSA-N	-1	0	295.269	3.292	20	30		CGEDRM
O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-]	ZINC000255012694	617741384	/nfs/dbraw/zinc/74/13/84/617741384.db2.gz	NNRURAAIDYENNE-YVMONPNESA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(F)c1	ZINC000255128631	617963920	/nfs/dbraw/zinc/96/39/20/617963920.db2.gz	VJTGRTDHDPKRTE-CLTKARDFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2ccccc2F)c1	ZINC000255139281	617980871	/nfs/dbraw/zinc/98/08/71/617980871.db2.gz	QEKNFQULUZUFBN-YVLHZVERSA-N	-1	0	288.278	3.101	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Sc1ccccc1	ZINC000846545460	618092482	/nfs/dbraw/zinc/09/24/82/618092482.db2.gz	OKAKGFVTZCGHBY-WCQYABFASA-N	-1	0	265.378	3.180	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccnc2C)c([O-])c1	ZINC000156703625	618130854	/nfs/dbraw/zinc/13/08/54/618130854.db2.gz	JBDHHDNUDCMWIH-SOFGYWHQSA-N	-1	0	253.301	3.300	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(C)c1Cl)C(=O)[O-]	ZINC000900335490	620779573	/nfs/dbraw/zinc/77/95/73/620779573.db2.gz	FNCWQSHNRVVQLD-LLVKDONJSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@H](C/C=C/C)C(=O)[O-])c1	ZINC000900355993	620782292	/nfs/dbraw/zinc/78/22/92/620782292.db2.gz	YEFWBLXEBSKXNO-ISZGNANSSA-N	-1	0	288.347	3.261	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@H](C/C=C\C)C(=O)[O-])c1	ZINC000900355996	620782701	/nfs/dbraw/zinc/78/27/01/620782701.db2.gz	YEFWBLXEBSKXNO-ZRUQZJFASA-N	-1	0	288.347	3.261	20	30		CGEDRM
CSc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176816958	618739960	/nfs/dbraw/zinc/73/99/60/618739960.db2.gz	UDFYGTUALPKUTK-UHFFFAOYSA-N	-1	0	284.340	3.238	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])s1	ZINC000255600603	618753147	/nfs/dbraw/zinc/75/31/47/618753147.db2.gz	LNBTVDZPEXRACT-XQRVVYSFSA-N	-1	0	273.288	3.361	20	30		CGEDRM
Cc1ccc2ncc(/C=C\C(=O)c3ccc([O-])c(F)c3)n2c1	ZINC000255734735	618783349	/nfs/dbraw/zinc/78/33/49/618783349.db2.gz	XZVVOVYPDVLTAW-XQRVVYSFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000075040458	618871329	/nfs/dbraw/zinc/87/13/29/618871329.db2.gz	ZHFYNPCQJCYPAA-UHFFFAOYSA-N	-1	0	287.356	3.216	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Oc3ccccc3C2=O)c1	ZINC000168026400	618911006	/nfs/dbraw/zinc/91/10/06/618911006.db2.gz	DZKQSDLWCUYWKF-ZROIWOOFSA-N	-1	0	266.252	3.001	20	30		CGEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(F)cc1F	ZINC000178317865	618946981	/nfs/dbraw/zinc/94/69/81/618946981.db2.gz	JRKZGUKPVCSPMR-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
CCn1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cn1	ZINC000119266486	618976541	/nfs/dbraw/zinc/97/65/41/618976541.db2.gz	QMHNTRKGNYWXDB-HWKANZROSA-N	-1	0	276.723	3.158	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000072595082	625312526	/nfs/dbraw/zinc/31/25/26/625312526.db2.gz	TYPQXFCYGNWIPR-ZETCQYMHSA-N	-1	0	295.813	3.483	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1	ZINC000048519221	619503981	/nfs/dbraw/zinc/50/39/81/619503981.db2.gz	GVXUUTPGTPWCQK-UHFFFAOYSA-N	-1	0	294.159	3.049	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000909626844	620214283	/nfs/dbraw/zinc/21/42/83/620214283.db2.gz	MOIHOZZQKKZLBW-MRXNPFEDSA-N	-1	0	291.347	3.072	20	30		CGEDRM
CC(C)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000787141284	620515798	/nfs/dbraw/zinc/51/57/98/620515798.db2.gz	LQCUOWVYOARZLZ-JHJXWGGOSA-N	-1	0	290.241	3.306	20	30		CGEDRM
Cc1ccc(C=NNC[C@@H]2CCCC2(F)F)cc1C(=O)[O-]	ZINC000901270914	620849943	/nfs/dbraw/zinc/84/99/43/620849943.db2.gz	DKGJWVVVVZOTCS-LBPRGKRZSA-N	-1	0	296.317	3.052	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNC1CCC(F)(F)CC1	ZINC000901340200	620857174	/nfs/dbraw/zinc/85/71/74/620857174.db2.gz	BNWNTSLCLBWLJZ-UWVGGRQHSA-N	-1	0	288.338	3.031	20	30		CGEDRM
C=CC[C@H](C)[C@H](C)Nc1cccc(OCC(=O)[O-])c1	ZINC000901577307	620943848	/nfs/dbraw/zinc/94/38/48/620943848.db2.gz	ARMMKVRQLIQVKO-RYUDHWBXSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=CC[C@@H](C)[C@H](C)Nc1ccc(OCC(=O)[O-])cc1	ZINC000901717133	621006711	/nfs/dbraw/zinc/00/67/11/621006711.db2.gz	NWWQNPLJQYOWNF-NEPJUHHUSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=C(C)COc1cccc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000902219703	621197223	/nfs/dbraw/zinc/19/72/23/621197223.db2.gz	PKOWFUMLYSJMGU-DFBGVHRSSA-N	-1	0	275.348	3.163	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000907635972	622304793	/nfs/dbraw/zinc/30/47/93/622304793.db2.gz	VSQRBGRHETVEEW-STQMWFEESA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000908400345	622348742	/nfs/dbraw/zinc/34/87/42/622348742.db2.gz	RDLODNZIBMZMNC-UHFFFAOYSA-N	-1	0	285.347	3.323	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000909099447	622392342	/nfs/dbraw/zinc/39/23/42/622392342.db2.gz	IOVRPZZXMCDLLI-YFHOEESVSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909834114	622429449	/nfs/dbraw/zinc/42/94/49/622429449.db2.gz	KLWOVXYFZSGVIN-LLVKDONJSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccccc1C(C)C)C(=O)[O-]	ZINC000910924907	622509451	/nfs/dbraw/zinc/50/94/51/622509451.db2.gz	GQFHRZGMCWFQHN-HNNXBMFYSA-N	-1	0	289.375	3.349	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000911401730	622531983	/nfs/dbraw/zinc/53/19/83/622531983.db2.gz	NSRJAAINZPMTDV-UONOGXRCSA-N	-1	0	287.359	3.245	20	30		CGEDRM
Cc1cccn2c(/C=C/C(=O)c3cc(F)ccc3[O-])cnc12	ZINC000156666455	622832811	/nfs/dbraw/zinc/83/28/11/622832811.db2.gz	WOLLWOBRLXRWAH-FNORWQNLSA-N	-1	0	296.301	3.384	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(F)cc(F)c1	ZINC000755888904	625638797	/nfs/dbraw/zinc/63/87/97/625638797.db2.gz	ZJGVOZQNYQCXTJ-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CC[C@H](C)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000153453476	623891906	/nfs/dbraw/zinc/89/19/06/623891906.db2.gz	UBQHIPHKNHHWAR-NSHDSACASA-N	-1	0	263.385	3.388	20	30		CGEDRM
C[C@H]1C(=NNCCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814920148	624003702	/nfs/dbraw/zinc/00/37/02/624003702.db2.gz	CACJWILSJAFLCL-IUCAKERBSA-N	-1	0	294.317	3.041	20	30		CGEDRM
O=C([O-])c1ccc(NN=C2CSCc3ccccc32)cc1	ZINC000915932921	624080654	/nfs/dbraw/zinc/08/06/54/624080654.db2.gz	CIIANJXFLBMKLA-UHFFFAOYSA-N	-1	0	298.367	3.448	20	30		CGEDRM
CCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000915936012	624081035	/nfs/dbraw/zinc/08/10/35/624081035.db2.gz	LZPRKUAODTVVQM-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2cccc(Cl)c2)c1	ZINC000916268215	624133857	/nfs/dbraw/zinc/13/38/57/624133857.db2.gz	QSBPBVPMLFADDB-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@@H]2c2ccccc2)c1	ZINC000920387239	624489568	/nfs/dbraw/zinc/48/95/68/624489568.db2.gz	NEZUESWWBRAETR-IGIWSDCRSA-N	-1	0	282.299	3.275	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cccc(O)c1	ZINC000175320409	624629305	/nfs/dbraw/zinc/62/93/05/624629305.db2.gz	ZDOXDKDHKJKRMV-SNAWJCMRSA-N	-1	0	276.238	3.272	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C	ZINC000070030953	624941089	/nfs/dbraw/zinc/94/10/89/624941089.db2.gz	KMRHYLUPSXDVIV-NSHDSACASA-N	-1	0	263.403	3.145	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(Cl)s1	ZINC000073837517	626069481	/nfs/dbraw/zinc/06/94/81/626069481.db2.gz	CERJOSODSWPGKT-UHFFFAOYSA-N	-1	0	295.813	3.225	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000923181556	626134915	/nfs/dbraw/zinc/13/49/15/626134915.db2.gz	BQNMXBRRCITYKF-MRXNPFEDSA-N	-1	0	281.396	3.008	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccccc1Cl	ZINC000751131131	626376838	/nfs/dbraw/zinc/37/68/38/626376838.db2.gz	KOTRHDBRYDOSBQ-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
O=C([N-][C@@H](C1CCCC1)C(F)(F)F)C(F)(F)C(F)F	ZINC000752472520	626428930	/nfs/dbraw/zinc/42/89/30/626428930.db2.gz	DCNPHQRJGOFVQZ-LURJTMIESA-N	-1	0	295.198	3.124	20	30		CGEDRM
CCC[C@@H](C)CN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756905815	626740365	/nfs/dbraw/zinc/74/03/65/626740365.db2.gz	LJBWHGBQMIJXLI-SNVBAGLBSA-N	-1	0	264.325	3.227	20	30		CGEDRM
O=C(/C=C1\COc2ccc(F)cc21)c1ccc(F)cc1[O-]	ZINC000757476367	626782092	/nfs/dbraw/zinc/78/20/92/626782092.db2.gz	QJCCJDRBMVPHRJ-WEVVVXLNSA-N	-1	0	288.249	3.329	20	30		CGEDRM
CC(=NNc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758117781	626828009	/nfs/dbraw/zinc/82/80/09/626828009.db2.gz	UCIMBCGKHBTKJA-UHFFFAOYSA-N	-1	0	289.266	3.276	20	30		CGEDRM
Cc1ccc(N=NCc2cc(Cl)c([O-])cc2Cl)nn1	ZINC000758120646	626828505	/nfs/dbraw/zinc/82/85/05/626828505.db2.gz	OYGJNLJVBYHBET-UHFFFAOYSA-N	-1	0	297.145	3.243	20	30		CGEDRM
COCCCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000759180052	626878521	/nfs/dbraw/zinc/87/85/21/626878521.db2.gz	VVKCUEATICGQIW-UHFFFAOYSA-N	-1	0	284.743	3.253	20	30		CGEDRM
O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccco2)c1	ZINC000762306459	627105074	/nfs/dbraw/zinc/10/50/74/627105074.db2.gz	WQZRYDFFHUPOAD-VOTSOKGWSA-N	-1	0	286.283	3.029	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1c(O)cccc1Cl	ZINC000763480237	627159697	/nfs/dbraw/zinc/15/96/97/627159697.db2.gz	ZJAUFDQTADAAFT-UHFFFAOYSA-N	-1	0	253.729	3.084	20	30		CGEDRM
CC1(C)CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000768268289	627471395	/nfs/dbraw/zinc/47/13/95/627471395.db2.gz	GWSFVQNNACZODS-PDICVPPASA-N	-1	0	262.309	3.298	20	30		CGEDRM
CC[C@H]1C[C@H](C)CCC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000769566886	627566660	/nfs/dbraw/zinc/56/66/60/627566660.db2.gz	LXPKNGNXFBWRLN-KOLCDFICSA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC(=NN=c1ccc2ccccc2[nH]1)c1ccc(C(=O)[O-])o1	ZINC000772998212	627839558	/nfs/dbraw/zinc/83/95/58/627839558.db2.gz	OJKIPNDRBHUFCL-UHFFFAOYSA-N	-1	0	295.298	3.362	20	30		CGEDRM
O=C(C=C1COc2ccc(F)cc21)c1sccc1[O-]	ZINC000773142966	627861867	/nfs/dbraw/zinc/86/18/67/627861867.db2.gz	JXUYVWWCAOCOMV-YVMONPNESA-N	-1	0	276.288	3.252	20	30		CGEDRM
N#C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C1CCCCC1	ZINC000776388051	628203127	/nfs/dbraw/zinc/20/31/27/628203127.db2.gz	ZHKDHYUROCIANQ-ZDUSSCGKSA-N	-1	0	295.285	3.300	20	30		CGEDRM
Cc1ccc(F)cc1C=NNc1cccc(C(=O)[O-])c1	ZINC000777879039	628306418	/nfs/dbraw/zinc/30/64/18/628306418.db2.gz	MHQNIBBRJJPTJQ-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
COc1cc(C)c(/C=C\C(=O)c2ccccc2[O-])c(C)n1	ZINC000781550284	628570339	/nfs/dbraw/zinc/57/03/39/628570339.db2.gz	QQUOFGLAEAIXNL-HJWRWDBZSA-N	-1	0	283.327	3.309	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\Oc3ccc(F)cc3C2=O)c1	ZINC000782199988	628624022	/nfs/dbraw/zinc/62/40/22/628624022.db2.gz	KFSPTZNQORTVRH-XGICHPGQSA-N	-1	0	290.271	3.202	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000782206175	628624701	/nfs/dbraw/zinc/62/47/01/628624701.db2.gz	HQKGTMCWOSQWHG-HWKANZROSA-N	-1	0	288.324	3.356	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1C=NNc1cnnc([O-])c1Cl	ZINC000783822023	628749659	/nfs/dbraw/zinc/74/96/59/628749659.db2.gz	RXEMUTXTQIFNAN-BDAKNGLRSA-N	-1	0	268.748	3.060	20	30		CGEDRM
CC(C)(C)CCNN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783863032	628752893	/nfs/dbraw/zinc/75/28/93/628752893.db2.gz	WGXTXZJLLSXGQK-UHFFFAOYSA-N	-1	0	282.771	3.398	20	30		CGEDRM
CC1=C[C@@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000789636033	629156430	/nfs/dbraw/zinc/15/64/30/629156430.db2.gz	FVZXTAYSCQEGBE-PWSUYJOCSA-N	-1	0	273.336	3.170	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000789802298	629168089	/nfs/dbraw/zinc/16/80/89/629168089.db2.gz	BPTBXMZYOVYLOU-FOQNGQEVSA-N	-1	0	285.372	3.484	20	30		CGEDRM
Cc1ccsc1C=NNc1ccccc1C(=O)[O-]	ZINC000793003582	629401560	/nfs/dbraw/zinc/40/15/60/629401560.db2.gz	UFRLQLVIARMPPI-UHFFFAOYSA-N	-1	0	260.318	3.201	20	30		CGEDRM
CC[C@H](NN=C(CC1CCC1)c1ccccc1)C(=O)[O-]	ZINC000793058605	629406306	/nfs/dbraw/zinc/40/63/06/629406306.db2.gz	WKOOTTXDTSPAOX-AWEZNQCLSA-N	-1	0	274.364	3.034	20	30		CGEDRM
CC[C@@H](NN=C1CC=C(c2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000793071823	629408012	/nfs/dbraw/zinc/40/80/12/629408012.db2.gz	HKFBDHPGRDQKCL-OAHLLOKOSA-N	-1	0	290.338	3.202	20	30		CGEDRM
CC[C@H](NN=Cc1cccc(-c2ccccc2C)c1)C(=O)[O-]	ZINC000793071486	629408123	/nfs/dbraw/zinc/40/81/23/629408123.db2.gz	JSCQKPWWOHMTAQ-KRWDZBQOSA-N	-1	0	296.370	3.449	20	30		CGEDRM
CCCCCOc1ccc(CNN=C(CC)C(=O)[O-])cc1	ZINC000793077654	629408224	/nfs/dbraw/zinc/40/82/24/629408224.db2.gz	GEHFDUDWVNUWML-HNNXBMFYSA-N	-1	0	292.379	3.042	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NN[C@@H](C)C(C)(C)C)CCC2	ZINC000793114438	629412809	/nfs/dbraw/zinc/41/28/09/629412809.db2.gz	LYHZCGJEQJCTGV-JTQLQIEISA-N	-1	0	292.379	3.351	20	30		CGEDRM
COCCCC1(CN=Nc2ccccc2C(=O)[O-])CCC1	ZINC000863075036	629467336	/nfs/dbraw/zinc/46/73/36/629467336.db2.gz	INRGGSKMKIRYGQ-UHFFFAOYSA-N	-1	0	290.363	3.379	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccncc1	ZINC000794925993	629600543	/nfs/dbraw/zinc/60/05/43/629600543.db2.gz	GSRQHTZTOSFDRN-ARJAWSKDSA-N	-1	0	281.311	3.293	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000794942635	629604244	/nfs/dbraw/zinc/60/42/44/629604244.db2.gz	QDHRFTJFWJYGEP-GQCTYLIASA-N	-1	0	274.295	3.205	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cncs1	ZINC000794943532	629604275	/nfs/dbraw/zinc/60/42/75/629604275.db2.gz	YYCXKUDZKCBKJS-ONEGZZNKSA-N	-1	0	287.340	3.354	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1csc(C)c1	ZINC000796777486	629832269	/nfs/dbraw/zinc/83/22/69/629832269.db2.gz	GWNGQYKYLJKSKC-ZDUSSCGKSA-N	-1	0	292.404	3.076	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1cccc(Cl)c1[O-]	ZINC000799033737	630134099	/nfs/dbraw/zinc/13/40/99/630134099.db2.gz	CUVOGOLQCPSTBF-VIFPVBQESA-N	-1	0	253.729	3.130	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1cccc(Cl)c1[O-]	ZINC000799033736	630134334	/nfs/dbraw/zinc/13/43/34/630134334.db2.gz	CUVOGOLQCPSTBF-SECBINFHSA-N	-1	0	253.729	3.130	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NN[C@H]2CCSC2)cc1Cl	ZINC000808000178	630614767	/nfs/dbraw/zinc/61/47/67/630614767.db2.gz	GQXBOLXWDINOCS-QMMMGPOBSA-N	-1	0	291.203	3.128	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cc1F	ZINC000812445181	631261908	/nfs/dbraw/zinc/26/19/08/631261908.db2.gz	SWQUZLVKRUQMPD-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CCC(=NOCCC1CC1)c1ccc(C(=O)[O-])cc1	ZINC000814247235	631561425	/nfs/dbraw/zinc/56/14/25/631561425.db2.gz	XHEAPDXMIAKKMG-UHFFFAOYSA-N	-1	0	261.321	3.316	20	30		CGEDRM
CC(=NNCc1ccccc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814752063	631633745	/nfs/dbraw/zinc/63/37/45/631633745.db2.gz	YGOHWNLMUWDERF-CABCVRRESA-N	-1	0	288.391	3.289	20	30		CGEDRM
CC(=NNC1CCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814832370	631650987	/nfs/dbraw/zinc/65/09/87/631650987.db2.gz	CXWXSGFEPMXQGJ-YPMHNXCESA-N	-1	0	266.385	3.032	20	30		CGEDRM
C[C@@H]1C(=NNCCCc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814837636	631652795	/nfs/dbraw/zinc/65/27/95/631652795.db2.gz	DWIWLEVEBSAFFR-ZFWWWQNUSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@H]1C(=NNCCCc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814837634	631652816	/nfs/dbraw/zinc/65/28/16/631652816.db2.gz	DWIWLEVEBSAFFR-HIFRSBDPSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1cccc(Cl)c1	ZINC000814867599	631659249	/nfs/dbraw/zinc/65/92/49/631659249.db2.gz	LDRPWDPUASPYBO-PWSUYJOCSA-N	-1	0	294.782	3.306	20	30		CGEDRM
Cc1ccnc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)c1	ZINC000814868339	631659634	/nfs/dbraw/zinc/65/96/34/631659634.db2.gz	OQCFGSUHVXVCAY-NEPJUHHUSA-N	-1	0	289.379	3.315	20	30		CGEDRM
CC(=NOCc1cccnc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814883805	631663811	/nfs/dbraw/zinc/66/38/11/631663811.db2.gz	BGYWEWXYPIPLLD-KGLIPLIRSA-N	-1	0	290.363	3.111	20	30		CGEDRM
O=C([O-])c1cccc2c1CC(=NOC1CCCC1)CC2	ZINC000814893943	631668388	/nfs/dbraw/zinc/66/83/88/631668388.db2.gz	FQKKCPYQKSKWKC-UHFFFAOYSA-N	-1	0	273.332	3.189	20	30		CGEDRM
C[C@H]1CC(=NOC2CCCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814908712	631677299	/nfs/dbraw/zinc/67/72/99/631677299.db2.gz	ANHNBBJALZPIJH-GWCFXTLKSA-N	-1	0	253.342	3.213	20	30		CGEDRM
COc1cc(F)ccc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814916867	631681207	/nfs/dbraw/zinc/68/12/07/631681207.db2.gz	XONANERTYJOWJP-VHSXEESVSA-N	-1	0	294.326	3.123	20	30		CGEDRM
CC(=NOC/C=C\Cl)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814933860	631688276	/nfs/dbraw/zinc/68/82/76/631688276.db2.gz	CYLGVBJODOOLOF-ONQKENFWSA-N	-1	0	297.738	3.032	20	30		CGEDRM
O=C([O-])c1cccc2c1CC(=NOCCC1CC1)CC2	ZINC000814941538	631694966	/nfs/dbraw/zinc/69/49/66/631694966.db2.gz	KXQUFLLXOPZNPM-UHFFFAOYSA-N	-1	0	273.332	3.046	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CC2	ZINC000817713401	632204984	/nfs/dbraw/zinc/20/49/84/632204984.db2.gz	CTMMLAZQCJCDFS-OLZOCXBDSA-N	-1	0	292.338	3.168	20	30		CGEDRM
C[C@@H](C#N)N(C(=O)c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000825105275	633329628	/nfs/dbraw/zinc/32/96/28/633329628.db2.gz	LZGIUTKEGGYINF-ZETCQYMHSA-N	-1	0	299.157	3.216	20	30		CGEDRM
CC(C)OC1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000871597833	633800659	/nfs/dbraw/zinc/80/06/59/633800659.db2.gz	VZKRNCNYMMZJNO-SXGWCWSVSA-N	-1	0	292.335	3.067	20	30		CGEDRM
CC1(C)CCc2c([n-]n(-c3ccc(C#N)cc3)c2=O)C1	ZINC000871943571	633921345	/nfs/dbraw/zinc/92/13/45/633921345.db2.gz	MVHCAXCHCOFEOE-CYBMUJFWSA-N	-1	0	267.332	3.087	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC(C1CCC1)[C@@H]1CCCO1	ZINC000872338509	634110415	/nfs/dbraw/zinc/11/04/15/634110415.db2.gz	RDYNKSHPYKSIKR-AWEZNQCLSA-N	-1	0	288.347	3.132	20	30		CGEDRM
C=CCCC(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833373462	634118703	/nfs/dbraw/zinc/11/87/03/634118703.db2.gz	PYPFHQJAMRKKGR-LBPRGKRZSA-N	-1	0	286.686	3.114	20	30		CGEDRM
Cc1c(NN=CC(F)(F)C(F)(F)F)cccc1C(=O)[O-]	ZINC000872387115	634128690	/nfs/dbraw/zinc/12/86/90/634128690.db2.gz	MEKPYOAYKPDSQF-UHFFFAOYSA-N	-1	0	296.195	3.289	20	30		CGEDRM
[O-]c1c(F)cc(C=NNC[C@@H]2CCCC2(F)F)cc1F	ZINC000872407013	634135824	/nfs/dbraw/zinc/13/58/24/634135824.db2.gz	WCDHCIDKCUPYGI-VIFPVBQESA-N	-1	0	290.260	3.029	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCCCCC2)cn1	ZINC000835007584	634312653	/nfs/dbraw/zinc/31/26/53/634312653.db2.gz	YTTLONKFNICGJJ-UHFFFAOYSA-N	-1	0	261.325	3.292	20	30		CGEDRM
CCC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCOCC1	ZINC000835010020	634314130	/nfs/dbraw/zinc/31/41/30/634314130.db2.gz	LCIZFYHLKPJZMY-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009825	634314142	/nfs/dbraw/zinc/31/41/42/634314142.db2.gz	DRJQTAUNUNBKPX-QMMMGPOBSA-N	-1	0	252.289	3.358	20	30		CGEDRM
C=CCCCCC(C)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010409	634315193	/nfs/dbraw/zinc/31/51/93/634315193.db2.gz	ZYIQNCLMAKNWNI-UHFFFAOYSA-N	-1	0	261.325	3.314	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC3(CCC3)C2)cc1F	ZINC000835010320	634315306	/nfs/dbraw/zinc/31/53/06/634315306.db2.gz	XCURBPLCIRBAIX-UHFFFAOYSA-N	-1	0	262.284	3.256	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Cc3ccc(F)cc3C2=O)c1	ZINC000126459474	635024076	/nfs/dbraw/zinc/02/40/76/635024076.db2.gz	QADJQPUESMURGU-QPEQYQDCSA-N	-1	0	282.270	3.346	20	30		CGEDRM
O=C([O-])CNN=C1CCC[C@@H](c2cccc(Cl)c2)C1	ZINC000841641689	635206199	/nfs/dbraw/zinc/20/61/99/635206199.db2.gz	ZPOAMNQDHWLQJQ-LLVKDONJSA-N	-1	0	280.755	3.028	20	30		CGEDRM
N#CC(=C([O-])C1=CCCC1)c1nc(C2CC2)cs1	ZINC000842940687	635520124	/nfs/dbraw/zinc/52/01/24/635520124.db2.gz	IJRMUFUQPLEWPP-NSHDSACASA-N	-1	0	258.346	3.307	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nc1	ZINC000842942382	635521529	/nfs/dbraw/zinc/52/15/29/635521529.db2.gz	XYYMQALFMYTIDW-NSHDSACASA-N	-1	0	283.356	3.214	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc(C2CC2)cs1	ZINC000842941878	635521687	/nfs/dbraw/zinc/52/16/87/635521687.db2.gz	UACSICGTZLUVBE-VUUYWXRKSA-N	-1	0	295.367	3.305	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CSCc1cccc(Cl)c1	ZINC000846540004	636196033	/nfs/dbraw/zinc/19/60/33/636196033.db2.gz	KMDQYDFUXQTDHU-UHFFFAOYSA-N	-1	0	285.796	3.197	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(C)c2)CCC1	ZINC000846543013	636197365	/nfs/dbraw/zinc/19/73/65/636197365.db2.gz	FPCLDOZPJQNYSL-CYBMUJFWSA-N	-1	0	259.349	3.039	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Sc1ccccc1	ZINC000846545458	636197877	/nfs/dbraw/zinc/19/78/77/636197877.db2.gz	OKAKGFVTZCGHBY-AAEUAGOBSA-N	-1	0	265.378	3.180	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1	ZINC000129532856	636297238	/nfs/dbraw/zinc/29/72/38/636297238.db2.gz	QIPDBPAUNGMRPR-VQHVLOKHSA-N	-1	0	275.304	3.463	20	30		CGEDRM
N#CCCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000847581092	636400605	/nfs/dbraw/zinc/40/06/05/636400605.db2.gz	SWKHCHRWKCVWFO-UHFFFAOYSA-N	-1	0	275.333	3.139	20	30		CGEDRM
C[Si](C)(C)CCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000847616938	636402832	/nfs/dbraw/zinc/40/28/32/636402832.db2.gz	VJRBUBWFONYNOD-UHFFFAOYSA-N	-1	0	276.412	3.321	20	30		CGEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)C1CCC1	ZINC000848414574	636570824	/nfs/dbraw/zinc/57/08/24/636570824.db2.gz	PEXMVPDPGYYKBY-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2C[C@H]3C=C[C@@H]2CC3)cc1	ZINC000848414323	636570918	/nfs/dbraw/zinc/57/09/18/636570918.db2.gz	LMZQFQKCCLIIGM-WCQYABFASA-N	-1	0	270.332	3.068	20	30		CGEDRM
CC1(C#N)CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000848414860	636571470	/nfs/dbraw/zinc/57/14/70/636571470.db2.gz	SJHSNBIUZGLFGJ-UHFFFAOYSA-N	-1	0	285.347	3.185	20	30		CGEDRM
Cn1ncc(C2CCC2)c1/C=C/C(=O)c1ccccc1[O-]	ZINC000849247919	636779254	/nfs/dbraw/zinc/77/92/54/636779254.db2.gz	ZHOQHSHOFDZPDX-MDZDMXLPSA-N	-1	0	282.343	3.289	20	30		CGEDRM
C=CC[C@@H]1CCCN(c2c3ccccc3nnc2C(=O)[O-])C1	ZINC000849348434	636817660	/nfs/dbraw/zinc/81/76/60/636817660.db2.gz	OHQNOLXHRGEWQK-GFCCVEGCSA-N	-1	0	297.358	3.121	20	30		CGEDRM
Cn1cc(C(=O)/C=C/c2cc(Cl)c([O-])cc2Cl)cn1	ZINC000134394380	637019616	/nfs/dbraw/zinc/01/96/16/637019616.db2.gz	GDHWUFUVGBASMZ-NSCUHMNNSA-N	-1	0	297.141	3.329	20	30		CGEDRM
Oc1ccc(Cl)cc1/C=N/CC[C@H]1CCCO1	ZINC000887272982	637787883	/nfs/dbraw/zinc/78/78/83/637787883.db2.gz	ZMADHSRWIMGCEQ-KMHUVPDISA-N	-1	0	253.729	3.034	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CO[C@H](C3CC3)C2)ccc1Cl	ZINC000853258404	637796940	/nfs/dbraw/zinc/79/69/40/637796940.db2.gz	OAYYOCPDDGCJJX-ZDUSSCGKSA-N	-1	0	294.738	3.005	20	30		CGEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)C1CCCC1	ZINC000853354683	637823265	/nfs/dbraw/zinc/82/32/65/637823265.db2.gz	RZELBEWQEHJEFZ-AWEZNQCLSA-N	-1	0	294.326	3.127	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1	ZINC000853354707	637823405	/nfs/dbraw/zinc/82/34/05/637823405.db2.gz	TZHDBVOILZHQQS-FOGDFJRCSA-N	-1	0	276.311	3.358	20	30		CGEDRM
C=CC[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000853354974	637823641	/nfs/dbraw/zinc/82/36/41/637823641.db2.gz	ZJYUFWGASVATAE-LLVKDONJSA-N	-1	0	273.336	3.314	20	30		CGEDRM
CO[C@@H](CN=Nc1cccc(C(=O)[O-])c1C)C1CCCC1	ZINC000853370374	637826719	/nfs/dbraw/zinc/82/67/19/637826719.db2.gz	LHOMXYPCZRSLKE-HNNXBMFYSA-N	-1	0	290.363	3.296	20	30		CGEDRM
Cc1c(N=NC[C@H]2CC2(Cl)Cl)cccc1C(=O)[O-]	ZINC000853370688	637826878	/nfs/dbraw/zinc/82/68/78/637826878.db2.gz	TZGIHFDBTGSPEL-MRVPVSSYSA-N	-1	0	287.146	3.285	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000853380796	637829994	/nfs/dbraw/zinc/82/99/94/637829994.db2.gz	YSROHAXYWIFIKQ-SECBINFHSA-N	-1	0	297.742	3.162	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(Cl)cn2)CC[C@H]1C(=O)[O-]	ZINC000853436324	637841160	/nfs/dbraw/zinc/84/11/60/637841160.db2.gz	XIBOLOXOXNFAKW-LDYMZIIASA-N	-1	0	281.743	3.024	20	30		CGEDRM
C#CCCCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000854644724	638081794	/nfs/dbraw/zinc/08/17/94/638081794.db2.gz	STCKWJLVGVUXGJ-UHFFFAOYSA-N	-1	0	297.358	3.305	20	30		CGEDRM
C=CCCO[N-]C(=O)CSc1ccc(Cl)cc1	ZINC000856029101	638285763	/nfs/dbraw/zinc/28/57/63/638285763.db2.gz	ZPFYKEPQOATUAT-UHFFFAOYSA-N	-1	0	271.769	3.056	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000856028985	638285804	/nfs/dbraw/zinc/28/58/04/638285804.db2.gz	UWLRGPMFJHNVJJ-JTQLQIEISA-N	-1	0	285.796	3.445	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1C	ZINC000856028113	638286105	/nfs/dbraw/zinc/28/61/05/638286105.db2.gz	BKMYHNRDJJSRTQ-LLVKDONJSA-N	-1	0	283.755	3.040	20	30		CGEDRM
CCC(CC)CN(CCC#N)C(=O)c1cccc(F)c1[O-]	ZINC000932041251	639255463	/nfs/dbraw/zinc/25/54/63/639255463.db2.gz	XRFFPEYXZHEGSJ-UHFFFAOYSA-N	-1	0	292.354	3.323	20	30		CGEDRM
N#CC1(C(=O)Nc2cccc(Cl)c2[O-])CCSCC1	ZINC000935109596	639750902	/nfs/dbraw/zinc/75/09/02/639750902.db2.gz	YPOIUGPRKOLTFW-UHFFFAOYSA-N	-1	0	296.779	3.021	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)c([O-])c1	ZINC000156621300	639980633	/nfs/dbraw/zinc/98/06/33/639980633.db2.gz	QYTINPIXEMQAIN-RMKNXTFCSA-N	-1	0	279.295	3.169	20	30		CGEDRM
O=C(/C=C/c1ccc2c(c1)CCO2)c1ccccc1[O-]	ZINC000156601970	639981268	/nfs/dbraw/zinc/98/12/68/639981268.db2.gz	IODDFMMYPWXCMM-FNORWQNLSA-N	-1	0	266.296	3.223	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000076905737	640224356	/nfs/dbraw/zinc/22/43/56/640224356.db2.gz	RWWBJLHCZKDODB-LLVKDONJSA-N	-1	0	275.414	3.289	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1C=CCC1	ZINC000077881619	640266367	/nfs/dbraw/zinc/26/63/67/640266367.db2.gz	DYTSYWYAOFELFJ-OLZOCXBDSA-N	-1	0	293.388	3.390	20	30		CGEDRM
N#Cc1ccc(C=CC(=O)c2sccc2[O-])s1	ZINC000193148121	640435580	/nfs/dbraw/zinc/43/55/80/640435580.db2.gz	HNUGZIRCMAKOLQ-ONEGZZNKSA-N	-1	0	261.327	3.283	20	30		CGEDRM
O=C(C=Cc1ccc(O)c(F)c1)c1sccc1[O-]	ZINC000193147401	640435731	/nfs/dbraw/zinc/43/57/31/640435731.db2.gz	SCKNFAJHEFZDKD-DUXPYHPUSA-N	-1	0	264.277	3.195	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1	ZINC000088800491	640624692	/nfs/dbraw/zinc/62/46/92/640624692.db2.gz	RQDRYNHYHWWJSG-UHFFFAOYSA-N	-1	0	293.388	3.395	20	30		CGEDRM
COc1cc(-c2ccc(F)c(C#N)c2)ccc1C(=O)[O-]	ZINC001250635960	805741065	/nfs/dbraw/zinc/74/10/65/805741065.db2.gz	MSXDUUQVBNPPFK-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(F)c(C#N)c2)c1	ZINC001250636477	805742324	/nfs/dbraw/zinc/74/23/24/805742324.db2.gz	AGFVYOVTCGNOQH-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccs1	ZINC001250915482	805797622	/nfs/dbraw/zinc/79/76/22/805797622.db2.gz	CPMPYCMJRQHTQL-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1cnc(Nc2ccc(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001211652583	814925747	/nfs/dbraw/zinc/92/57/47/814925747.db2.gz	GFXZQEQTKRVXLI-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3c(cccc3Cl)[nH]2)c1	ZINC001251180495	805860136	/nfs/dbraw/zinc/86/01/36/805860136.db2.gz	YYEODVYNRRIFAJ-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
C=C[C@](C)(O)CNc1ccc(Br)cc1[S-]	ZINC001252566905	806070592	/nfs/dbraw/zinc/07/05/92/806070592.db2.gz	OLYGMLXYGARVIP-NSHDSACASA-N	-1	0	288.210	3.087	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccs2)cc1C	ZINC000046929771	798890933	/nfs/dbraw/zinc/89/09/33/798890933.db2.gz	CWFCVQHGZCDYOP-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3ncccc3c2)c1	ZINC000176409145	799096835	/nfs/dbraw/zinc/09/68/35/799096835.db2.gz	MFPISAAOIFHYIQ-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000328994867	799253691	/nfs/dbraw/zinc/25/36/91/799253691.db2.gz	JKQGOOWBLLSTIV-PDWCTOEPSA-N	-1	0	279.380	3.413	20	30		CGEDRM
O=C1c2ccc(O)cc2C/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000588535151	799706776	/nfs/dbraw/zinc/70/67/76/799706776.db2.gz	QEHXOWXWWKYWDQ-KMKOMSMNSA-N	-1	0	288.249	3.198	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000716523558	800173449	/nfs/dbraw/zinc/17/34/49/800173449.db2.gz	ULWHHYGKXFPLBM-LBPRGKRZSA-N	-1	0	275.348	3.168	20	30		CGEDRM
CC[C@@H](CC1CCCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001163738885	806813856	/nfs/dbraw/zinc/81/38/56/806813856.db2.gz	XJQBTTFAHSJROD-LBPRGKRZSA-N	-1	0	299.378	3.088	20	30		CGEDRM
CC(=O)C=C(C)Nc1ccc(Br)cc1C(=O)[O-]	ZINC001163738131	806812448	/nfs/dbraw/zinc/81/24/48/806812448.db2.gz	QQQIQSULXZNJAY-ALCCZGGFSA-N	-1	0	298.136	3.052	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(CCC(=O)[O-])cc2)c1	ZINC001244191774	803236044	/nfs/dbraw/zinc/23/60/44/803236044.db2.gz	UTBFZVLGYWXIJJ-UHFFFAOYSA-N	-1	0	265.312	3.137	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2c(F)cc(CO)cc2F)cc1F	ZINC001244363295	803328713	/nfs/dbraw/zinc/32/87/13/803328713.db2.gz	GOPYQUIGNZNRBE-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
N#Cc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1F	ZINC001244458323	803380155	/nfs/dbraw/zinc/38/01/55/803380155.db2.gz	HCTBOMGQLOLUMH-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244499883	803404603	/nfs/dbraw/zinc/40/46/03/803404603.db2.gz	FAYRXCCXOZLELG-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ncc(-c2cc(C(=O)[O-])c(Cl)cc2F)cc1F	ZINC001244612973	803464066	/nfs/dbraw/zinc/46/40/66/803464066.db2.gz	MMUPJABNRUKJPQ-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
COc1cc(C)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001211731772	814938595	/nfs/dbraw/zinc/93/85/95/814938595.db2.gz	OTKKLKODOVCBEQ-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
Cc1cnc(-c2ccc(Cl)c([O-])c2F)c(C#N)c1	ZINC001244630734	803474014	/nfs/dbraw/zinc/47/40/14/803474014.db2.gz	MVXZLVRDGRWNRJ-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1nc(-c2ccc(Cl)c([O-])c2F)ccc1C#N	ZINC001244631458	803474875	/nfs/dbraw/zinc/47/48/75/803474875.db2.gz	ZIAUKMWBUNBZDF-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1ccc(C#N)c(-c2ccc(Cl)c([O-])c2F)n1	ZINC001244631797	803474966	/nfs/dbraw/zinc/47/49/66/803474966.db2.gz	ZYLTZRPPVIBHIE-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCc1cnc(F)c(-c2ccc(Cl)c([O-])c2F)c1	ZINC001244632938	803476140	/nfs/dbraw/zinc/47/61/40/803476140.db2.gz	GRHDODNEXRPCBO-UHFFFAOYSA-N	-1	0	280.661	3.452	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1cnc(F)c(C(=O)[O-])c1	ZINC001244753245	803520243	/nfs/dbraw/zinc/52/02/43/803520243.db2.gz	SSFGKPPBUFPJTG-UHFFFAOYSA-N	-1	0	272.279	3.018	20	30		CGEDRM
C[C@@H](NC(=S)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC001245518265	803784458	/nfs/dbraw/zinc/78/44/58/803784458.db2.gz	LXSCQVYHPBTEFP-LLVKDONJSA-N	-1	0	297.383	3.311	20	30		CGEDRM
N#CCc1cnc(F)c(-c2cc(Cl)c([O-])cc2F)c1	ZINC001245669993	803898223	/nfs/dbraw/zinc/89/82/23/803898223.db2.gz	APEDYLNHNRRFIV-UHFFFAOYSA-N	-1	0	280.661	3.452	20	30		CGEDRM
N#Cc1cc(-c2cc(Cl)c([O-])cc2F)cnc1F	ZINC001245672344	803903078	/nfs/dbraw/zinc/90/30/78/803903078.db2.gz	SEEGQCGHPGAKPR-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cccc(-c2cc(=O)n(-c3cccc(C#N)c3)[n-]2)c1	ZINC001245920852	804049468	/nfs/dbraw/zinc/04/94/68/804049468.db2.gz	WCZUEAGESJLTJC-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3cccnc3Cl)[n-]2)c1	ZINC001245937896	804070210	/nfs/dbraw/zinc/07/02/10/804070210.db2.gz	XYJXMIDDWYRNJD-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1cc(Nc2cc(Cl)ccc2N)c([O-])cc1F	ZINC001212439314	815028511	/nfs/dbraw/zinc/02/85/11/815028511.db2.gz	GZJXZKOXRLTFGG-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248551250	804951605	/nfs/dbraw/zinc/95/16/05/804951605.db2.gz	MJRNDWLKHLBEAQ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])cc2Cl)ccc1O	ZINC001248556880	804951896	/nfs/dbraw/zinc/95/18/96/804951896.db2.gz	DIKKVKVJPMRZIX-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212513603	815045055	/nfs/dbraw/zinc/04/50/55/815045055.db2.gz	YYDNZGWRCVMVKL-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1	ZINC001212514744	815045765	/nfs/dbraw/zinc/04/57/65/815045765.db2.gz	KHETUKMQGLREND-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
CCc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cs1	ZINC001147714259	805145799	/nfs/dbraw/zinc/14/57/99/805145799.db2.gz	QFBNCHUWMUWKJH-UHFFFAOYSA-N	-1	0	290.319	3.279	20	30		CGEDRM
Cn1cc(C(=O)Nc2ccc(C#N)cc2O)c2ccccc21	ZINC001148189772	805165766	/nfs/dbraw/zinc/16/57/66/805165766.db2.gz	MUISMVMUYXJSDR-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
N#Cc1cccc(Cc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001250049071	805388265	/nfs/dbraw/zinc/38/82/65/805388265.db2.gz	QODRPXWLOFQPAV-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Cc1cccc(C#N)c1	ZINC001250048620	805388566	/nfs/dbraw/zinc/38/85/66/805388566.db2.gz	FLYWJKBOYSACJE-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
Cc1cc(Cc2cccc(C#N)c2)cc(C(=O)[O-])c1	ZINC001250049284	805388722	/nfs/dbraw/zinc/38/87/22/805388722.db2.gz	WCMLSWCLDGPJCD-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#CCCCCc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001250066335	805401042	/nfs/dbraw/zinc/40/10/42/805401042.db2.gz	FHLRGGPUPSCQJP-UHFFFAOYSA-N	-1	0	255.676	3.414	20	30		CGEDRM
CC(C)(C)n1cc(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001212572467	815073700	/nfs/dbraw/zinc/07/37/00/815073700.db2.gz	FJOKIQPBAXAMRL-UHFFFAOYSA-N	-1	0	274.299	3.098	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212593961	815080685	/nfs/dbraw/zinc/08/06/85/815080685.db2.gz	NVKHZPXLVAYZPD-UHFFFAOYSA-N	-1	0	259.696	3.243	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C#N)s1	ZINC001260684031	807698903	/nfs/dbraw/zinc/69/89/03/807698903.db2.gz	QYMOCBFEFKFFKS-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]c2sccc2C#N)c1C	ZINC001260990673	807708508	/nfs/dbraw/zinc/70/85/08/807708508.db2.gz	MOJYVPBBCYARPU-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CCCCCCCC[C@@H](CC)[NH2+]CCOP(=O)([O-])[O-]	ZINC001172502925	808358375	/nfs/dbraw/zinc/35/83/75/808358375.db2.gz	NIGVLGFJXXEGBM-CYBMUJFWSA-N	-1	0	295.360	3.215	20	30		CGEDRM
COc1ccc(OC)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001173920859	808761471	/nfs/dbraw/zinc/76/14/71/808761471.db2.gz	UPVXHJLBIHXPCI-UHFFFAOYSA-N	-1	0	288.278	3.164	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(C(=O)[O-])s1	ZINC001174808918	809168415	/nfs/dbraw/zinc/16/84/15/809168415.db2.gz	AEEKHNLKTAQZIU-UHFFFAOYSA-N	-1	0	283.312	3.242	20	30		CGEDRM
Cc1cc(Nc2ccc(C(=O)[O-])s2)ccc1C#N	ZINC001174808618	809168423	/nfs/dbraw/zinc/16/84/23/809168423.db2.gz	VZHCSKJPKHVVNZ-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(OC)c1	ZINC001175109917	809275757	/nfs/dbraw/zinc/27/57/57/809275757.db2.gz	DJOFLGSFLUCFBS-UHFFFAOYSA-N	-1	0	288.278	3.164	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175215227	809311351	/nfs/dbraw/zinc/31/13/51/809311351.db2.gz	ANDUTIDSIIOTFW-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cnc(Nc2ccc(F)c(C(=O)[O-])c2)c(Cl)c1	ZINC001175215624	809311412	/nfs/dbraw/zinc/31/14/12/809311412.db2.gz	OAWPAFXRXILJFS-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175317377	809352606	/nfs/dbraw/zinc/35/26/06/809352606.db2.gz	XZXCMOUJZRNKPH-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
C#CCOc1ccc(Nc2cccc(C(=O)[O-])c2)cc1	ZINC001175331726	809359526	/nfs/dbraw/zinc/35/95/26/809359526.db2.gz	LXSXNJPVPQSJFN-UHFFFAOYSA-N	-1	0	267.284	3.140	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)cc2c[nH]nc21	ZINC001175518605	809439345	/nfs/dbraw/zinc/43/93/45/809439345.db2.gz	WZXWMAHCLPHFDE-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	ZINC001300210181	809564350	/nfs/dbraw/zinc/56/43/50/809564350.db2.gz	CGFDBEVQAUXNJI-QWHCGFSZSA-N	-1	0	291.391	3.374	20	30		CGEDRM
N#C[C@@H](NC(=O)c1cc2ccccc2cc1O)C1CCCC1	ZINC001303060309	809603417	/nfs/dbraw/zinc/60/34/17/809603417.db2.gz	KYSAFTWVOKTMGS-MRXNPFEDSA-N	-1	0	294.354	3.358	20	30		CGEDRM
COc1cc(Nc2cccc(C#N)c2F)cc(C(=O)[O-])c1	ZINC001213592898	815308208	/nfs/dbraw/zinc/30/82/08/815308208.db2.gz	REHFUHJHCLQQOT-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)cc2OC)cc(C(=O)[O-])c1	ZINC001213593120	815308630	/nfs/dbraw/zinc/30/86/30/815308630.db2.gz	XXUOWPCPSAUIAR-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
CCOc1cc(Nc2scc([O-])c2C#N)c(F)cn1	ZINC001176600969	809728257	/nfs/dbraw/zinc/72/82/57/809728257.db2.gz	WSSHLGXAHPBIJR-UHFFFAOYSA-N	-1	0	279.296	3.002	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccc(C(=O)[O-])cc2)cc1F	ZINC001176713818	809747786	/nfs/dbraw/zinc/74/77/86/809747786.db2.gz	RPWRAOPKBXQHKS-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cnccc1C1CC1	ZINC001213871109	815341583	/nfs/dbraw/zinc/34/15/83/815341583.db2.gz	HBELICGTRBSUNX-UHFFFAOYSA-N	-1	0	257.318	3.341	20	30		CGEDRM
CCCCN(O)C(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC001184314658	810190530	/nfs/dbraw/zinc/19/05/30/810190530.db2.gz	FEYSDCWPOWENMO-ZDUSSCGKSA-N	-1	0	299.411	3.152	20	30		CGEDRM
N#Cc1cc(Nc2cccc3[nH]c(=O)ccc23)c([O-])cc1F	ZINC001213976657	815353483	/nfs/dbraw/zinc/35/34/83/815353483.db2.gz	MDRBWQZTCXRPKR-UHFFFAOYSA-N	-1	0	295.273	3.400	20	30		CGEDRM
N#Cc1cc(NC(=O)NCC2CCCCC2)c([O-])cc1F	ZINC001186883721	810369773	/nfs/dbraw/zinc/36/97/73/810369773.db2.gz	TZCGXERNWZEVDR-UHFFFAOYSA-N	-1	0	291.326	3.105	20	30		CGEDRM
C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(C#N)c2)c2ccccc21	ZINC001193515594	810901844	/nfs/dbraw/zinc/90/18/44/810901844.db2.gz	PDNWWOGXQDMZMN-BZNIZROVSA-N	-1	0	292.338	3.242	20	30		CGEDRM
CC(C)CCC[C@H](C)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515868	810902390	/nfs/dbraw/zinc/90/23/90/810902390.db2.gz	USOVQDDYHMGADN-LBPRGKRZSA-N	-1	0	274.364	3.208	20	30		CGEDRM
C[C@H]1C[C@H](NC(=O)c2cccc(C#N)c2[O-])c2ccccc21	ZINC001193657648	810930148	/nfs/dbraw/zinc/93/01/48/810930148.db2.gz	AAMGNXCANMZWPQ-ZBEGNZNMSA-N	-1	0	292.338	3.242	20	30		CGEDRM
C[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2[O-])c2ccccc21	ZINC001193657645	810930665	/nfs/dbraw/zinc/93/06/65/810930665.db2.gz	AAMGNXCANMZWPQ-BDJLRTHQSA-N	-1	0	292.338	3.242	20	30		CGEDRM
C=CCOC(=O)Nc1ccc(Br)cc1[S-]	ZINC001194323522	811052103	/nfs/dbraw/zinc/05/21/03/811052103.db2.gz	FETNWMDEXYALMC-UHFFFAOYSA-N	-1	0	288.166	3.472	20	30		CGEDRM
C[C@@H](C#N)c1ccc(NC(=O)c2ccc(C#N)cc2[O-])cc1	ZINC001195751346	811286852	/nfs/dbraw/zinc/28/68/52/811286852.db2.gz	SOPSHIDEBAHNJW-NSHDSACASA-N	-1	0	291.310	3.143	20	30		CGEDRM
Cc1cccc(NC(=S)Nc2c(O)cccc2C#N)c1	ZINC001198690421	811535771	/nfs/dbraw/zinc/53/57/71/811535771.db2.gz	OXPJJKYWCDXIRG-UHFFFAOYSA-N	-1	0	283.356	3.381	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2ccc(C3CCC3)nc2)c(O)c1	ZINC001199288309	811569523	/nfs/dbraw/zinc/56/95/23/811569523.db2.gz	ZOSHKVREZIMCLE-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
Cc1c(Cl)onc1C(=O)[N-]c1c(C#N)ccc(F)c1F	ZINC001199675456	811584766	/nfs/dbraw/zinc/58/47/66/811584766.db2.gz	UQTFWDVCPABKOF-UHFFFAOYSA-N	-1	0	297.648	3.039	20	30		CGEDRM
Cc1csc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1	ZINC001201295435	811810720	/nfs/dbraw/zinc/81/07/20/811810720.db2.gz	QUOGVFAAEUAKCL-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC(C)Oc1cncc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001201550633	811898874	/nfs/dbraw/zinc/89/88/74/811898874.db2.gz	QXTMFLVEIRAUDK-UHFFFAOYSA-N	-1	0	287.294	3.329	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C3CC3)nc2)c([O-])cc1F	ZINC001201715704	811944930	/nfs/dbraw/zinc/94/49/30/811944930.db2.gz	BRGVWEROYMPFBM-UHFFFAOYSA-N	-1	0	269.279	3.419	20	30		CGEDRM
Cc1ccccc1NC(=O)Nc1c(O)cccc1C#N	ZINC001202184531	812032314	/nfs/dbraw/zinc/03/23/14/812032314.db2.gz	AFXNDPNTYYGPFW-UHFFFAOYSA-N	-1	0	267.288	3.216	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001215274167	815501955	/nfs/dbraw/zinc/50/19/55/815501955.db2.gz	KXNJWCGOOLXSNO-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
CCOc1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC001202908915	812198105	/nfs/dbraw/zinc/19/81/05/812198105.db2.gz	JHJRJGPGFLASCI-UHFFFAOYSA-N	-1	0	297.314	3.307	20	30		CGEDRM
N#Cc1cc2cccnc2nc1Nc1ccsc1C(=O)[O-]	ZINC001215383854	815513927	/nfs/dbraw/zinc/51/39/27/815513927.db2.gz	RNGBDFRXZHXCCC-UHFFFAOYSA-N	-1	0	296.311	3.005	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccsc1C(=O)[O-]	ZINC001215394340	815515882	/nfs/dbraw/zinc/51/58/82/815515882.db2.gz	WQCWOEYTCDTRMN-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#CCc1cc(Nc2ccsc2C(=O)[O-])ccc1F	ZINC001215399649	815517662	/nfs/dbraw/zinc/51/76/62/815517662.db2.gz	PJKODZJRSPIWTG-UHFFFAOYSA-N	-1	0	276.292	3.395	20	30		CGEDRM
Cc1nsc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1C#N	ZINC001215455466	815520847	/nfs/dbraw/zinc/52/08/47/815520847.db2.gz	QMXGMOKTOUAXMH-UHFFFAOYSA-N	-1	0	295.270	3.043	20	30		CGEDRM
Cc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1F	ZINC001204645010	812700492	/nfs/dbraw/zinc/70/04/92/812700492.db2.gz	XBEPIZIVUNBUHI-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
CO/N=C/c1cc(-c2ccsc2C(=O)[O-])ccc1F	ZINC001205614627	813024692	/nfs/dbraw/zinc/02/46/92/813024692.db2.gz	OIVZRPHTTGGBIF-VIZOYTHASA-N	-1	0	279.292	3.233	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(F)c(F)c(C(=O)[O-])c2)n1	ZINC001206017655	813166392	/nfs/dbraw/zinc/16/63/92/813166392.db2.gz	UGAPNYSARDXHKD-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
O=C([O-])c1cc(-c2ccc(/C=N/O)c(F)c2)cs1	ZINC001206299025	813278090	/nfs/dbraw/zinc/27/80/90/813278090.db2.gz	ZFKCFYFMESWLBN-LHHJGKSTSA-N	-1	0	265.265	3.061	20	30		CGEDRM
CO/N=C/c1cc(-c2csc(C(=O)[O-])c2)cc(F)c1F	ZINC001206304044	813280001	/nfs/dbraw/zinc/28/00/01/813280001.db2.gz	YLTBDFLWZGQPFA-FZSIALSZSA-N	-1	0	297.282	3.372	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889798	814189719	/nfs/dbraw/zinc/18/97/19/814189719.db2.gz	UJNFJILLGONJCP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC001209903005	814194306	/nfs/dbraw/zinc/19/43/06/814194306.db2.gz	PJZFGFZLLOOHAF-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CN(C)c1ccccc1Nc1scc([O-])c1C#N	ZINC001209989465	814232786	/nfs/dbraw/zinc/23/27/86/814232786.db2.gz	QABAZEKEWOMRCL-UHFFFAOYSA-N	-1	0	259.334	3.135	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc(C#N)c1	ZINC001210007073	814239798	/nfs/dbraw/zinc/23/97/98/814239798.db2.gz	KSRNXXMXWGOVDR-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cc(Nc2ccc(OCC3CC3)nc2)c([O-])cc1F	ZINC001210014587	814244803	/nfs/dbraw/zinc/24/48/03/814244803.db2.gz	IMXMSJJSSUMWRI-UHFFFAOYSA-N	-1	0	299.305	3.330	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210070372	814272979	/nfs/dbraw/zinc/27/29/79/814272979.db2.gz	FSAQIPZRVFYPGT-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210241775	814362133	/nfs/dbraw/zinc/36/21/33/814362133.db2.gz	VWZDMQKLWNSUMT-UHFFFAOYSA-N	-1	0	285.278	3.181	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1C	ZINC001210254572	814369131	/nfs/dbraw/zinc/36/91/31/814369131.db2.gz	KEUGTQSVXIYHBT-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(OC(F)F)nc1	ZINC001210300726	814391881	/nfs/dbraw/zinc/39/18/81/814391881.db2.gz	GYGSCJKSUQHMHV-UHFFFAOYSA-N	-1	0	283.259	3.065	20	30		CGEDRM
N#Cc1ccc(F)c(-c2noc(-c3ccc([O-])cc3F)n2)c1	ZINC001215826294	815606685	/nfs/dbraw/zinc/60/66/85/815606685.db2.gz	IWIHQIMDLYSDGE-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1cc(NC2=CC(=O)C[C@H](C)C2)ccc1[S-]	ZINC001210778859	814624138	/nfs/dbraw/zinc/62/41/38/814624138.db2.gz	ZSYPNPCTUMTCDY-SECBINFHSA-N	-1	0	263.362	3.279	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1cccc([O-])c1Cl	ZINC001210860262	814655035	/nfs/dbraw/zinc/65/50/35/814655035.db2.gz	SQOVQJWHRAUZTA-UHFFFAOYSA-N	-1	0	259.696	3.243	20	30		CGEDRM
Cn1cnc(Nc2cc(Cl)c([O-])c(Cl)c2)c1C#N	ZINC001210927546	814677663	/nfs/dbraw/zinc/67/76/63/814677663.db2.gz	WGGRYJOZTWGOFP-UHFFFAOYSA-N	-1	0	283.118	3.048	20	30		CGEDRM
CC(C)(O)C#Cc1cccc(Nc2ccccc2C(=O)[O-])c1	ZINC001210968696	814695542	/nfs/dbraw/zinc/69/55/42/814695542.db2.gz	HTFKBSXOMBGXSM-UHFFFAOYSA-N	-1	0	295.338	3.251	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)c([O-])cc1F	ZINC001211192078	814844535	/nfs/dbraw/zinc/84/45/35/814844535.db2.gz	CSDSPBIRHWUBBY-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
COc1cccc(-c2cc(F)c([O-])cc2F)c1C#N	ZINC001211349861	814883092	/nfs/dbraw/zinc/88/30/92/814883092.db2.gz	JMQAWFPDKITSPN-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
Cc1ccc(Nc2cnc(C#N)c(Cl)c2)cc1C(=O)[O-]	ZINC001211599906	814915890	/nfs/dbraw/zinc/91/58/90/814915890.db2.gz	ZYHWCLRAFJLSHK-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1ccc(-n2cc(C#N)c3ccc(N)cc32)cc1C(=O)[O-]	ZINC001211606203	814916817	/nfs/dbraw/zinc/91/68/17/814916817.db2.gz	JTGOJVLOTQWYDA-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
Cc1ccc(-n2cc(C#N)c3cc(N)ccc32)cc1C(=O)[O-]	ZINC001211608053	814917533	/nfs/dbraw/zinc/91/75/33/814917533.db2.gz	KENXODMKYQWQLL-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC001211608205	814918023	/nfs/dbraw/zinc/91/80/23/814918023.db2.gz	NENUKJPGQXBHTM-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)s1	ZINC001211621147	814919937	/nfs/dbraw/zinc/91/99/37/814919937.db2.gz	ZAVKSCNUMNPKDL-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1C	ZINC001211624970	814920265	/nfs/dbraw/zinc/92/02/65/814920265.db2.gz	ZCAGDXXYVXPLHK-UHFFFAOYSA-N	-1	0	281.315	3.350	20	30		CGEDRM
Cc1cc(C)c(N)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001216101643	815693987	/nfs/dbraw/zinc/69/39/87/815693987.db2.gz	CHQHLYBWMNSLLP-UHFFFAOYSA-N	-1	0	271.295	3.346	20	30		CGEDRM
Cc1c(O)cccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001216321578	815782745	/nfs/dbraw/zinc/78/27/45/815782745.db2.gz	GXHGUMVYTQEMSZ-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
Cc1cc(C#N)nc(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242851289	823152746	/nfs/dbraw/zinc/15/27/46/823152746.db2.gz	ITVNVBDIFQRWSG-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
N#Cc1cccc(Nc2ccnc(Cl)c2[O-])c1F	ZINC001216414131	815819374	/nfs/dbraw/zinc/81/93/74/815819374.db2.gz	IBYDAGUZAAGGJH-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1cccc([S-])c1	ZINC001242863716	823157449	/nfs/dbraw/zinc/15/74/49/823157449.db2.gz	GUVNMJWCMMFQRQ-UHFFFAOYSA-N	-1	0	269.325	3.301	20	30		CGEDRM
CCOC(=O)c1cc(C)nc(-c2cccc([S-])c2)c1C#N	ZINC001242866148	823158118	/nfs/dbraw/zinc/15/81/18/823158118.db2.gz	ZUKXWOQZAIBJKW-UHFFFAOYSA-N	-1	0	298.367	3.394	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2C)c1	ZINC001216662518	815889990	/nfs/dbraw/zinc/88/99/90/815889990.db2.gz	FASKXNVOTSTZGY-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccccc1-c1noc(-c2ccc(C#N)cc2[O-])n1	ZINC001217038803	815906204	/nfs/dbraw/zinc/90/62/04/815906204.db2.gz	HLSDMKFTDJUTEM-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3cccc(F)c3F)no2)c([O-])c1	ZINC001217039500	815907793	/nfs/dbraw/zinc/90/77/93/815907793.db2.gz	KDHOTBJPUXJJIS-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
CO/N=C/c1cc(-c2ccccc2C(=O)[O-])ccc1F	ZINC001242881325	823163662	/nfs/dbraw/zinc/16/36/62/823163662.db2.gz	IKILFAQWBAVSEB-RQZCQDPDSA-N	-1	0	273.263	3.171	20	30		CGEDRM
N#CCc1ccccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222402924	816434856	/nfs/dbraw/zinc/43/48/56/816434856.db2.gz	HTIFXFLYYSMTDS-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
CCC(CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223892771	816698553	/nfs/dbraw/zinc/69/85/53/816698553.db2.gz	MGNRQVODSFEZBN-PFONDFGASA-N	-1	0	267.325	3.045	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H](C)CC(C)C)c1	ZINC001223892752	816699321	/nfs/dbraw/zinc/69/93/21/816699321.db2.gz	LUENZKZVHSJQRT-YOJQOHNYSA-N	-1	0	281.352	3.291	20	30		CGEDRM
C=CCC[C@H](CC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224903654	816906310	/nfs/dbraw/zinc/90/63/10/816906310.db2.gz	TTZVXTKBHLDUBM-AWEZNQCLSA-N	-1	0	298.404	3.237	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225563507	817094533	/nfs/dbraw/zinc/09/45/33/817094533.db2.gz	VEPRLVOVDSNPEF-GFCCVEGCSA-N	-1	0	288.734	3.045	20	30		CGEDRM
Cc1ccccc1[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008669	817247065	/nfs/dbraw/zinc/24/70/65/817247065.db2.gz	LQGKBSSDHCMCJQ-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCC=CCCC2)c1C#N	ZINC001226221752	817301524	/nfs/dbraw/zinc/30/15/24/817301524.db2.gz	QNGPORSVPZLFKT-LBPRGKRZSA-N	-1	0	258.321	3.235	20	30		CGEDRM
C=C[C@@H](Oc1[nH]c(=S)ncc1OC)c1ccccc1	ZINC001226246986	817309609	/nfs/dbraw/zinc/30/96/09/817309609.db2.gz	UGIGMEZTBGXLLV-LLVKDONJSA-N	-1	0	274.345	3.080	20	30		CGEDRM
Cc1ccc(Cl)cc1[C@@H](C)Oc1nccc(/C=N/O)n1	ZINC001226254668	817312900	/nfs/dbraw/zinc/31/29/00/817312900.db2.gz	BZRCKPDQYZEVCV-UWOUAGFBSA-N	-1	0	291.738	3.387	20	30		CGEDRM
C=CCC(CC=C)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226345272	817331591	/nfs/dbraw/zinc/33/15/91/817331591.db2.gz	ZRJPWPFLFSTLDU-UHFFFAOYSA-N	-1	0	274.242	3.101	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226420512	817351115	/nfs/dbraw/zinc/35/11/15/817351115.db2.gz	KDZVQBPPWMOKCX-SNVBAGLBSA-N	-1	0	254.305	3.143	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccnc(=S)[nH]2)C1	ZINC001226939879	817511110	/nfs/dbraw/zinc/51/11/10/817511110.db2.gz	JWCJQFUGYAYQKF-NEPJUHHUSA-N	-1	0	262.378	3.445	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2nc(C)cc(C)c2C#N)c1	ZINC001243177111	823274513	/nfs/dbraw/zinc/27/45/13/823274513.db2.gz	JRCPOBBMSFKCIA-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)nc2cccnc21)C(=C)C	ZINC001228005464	817781877	/nfs/dbraw/zinc/78/18/77/817781877.db2.gz	RVUVSORJYGTZGZ-LBPRGKRZSA-N	-1	0	271.320	3.020	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2C)c(C#N)c1	ZINC001243203954	823289841	/nfs/dbraw/zinc/28/98/41/823289841.db2.gz	ULULACJTLMHZRQ-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(-c2ccc(C3(C#N)CC3)cn2)ccc1C(=O)[O-]	ZINC001243210402	823293356	/nfs/dbraw/zinc/29/33/56/823293356.db2.gz	GTDNNWRLJSWJEU-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
Cc1cc(-c2ncnc3cc(C#N)ccc32)ccc1C(=O)[O-]	ZINC001243211563	823293718	/nfs/dbraw/zinc/29/37/18/823293718.db2.gz	JDRRPLGMOPLDEJ-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243214061	823294791	/nfs/dbraw/zinc/29/47/91/823294791.db2.gz	CJKDDCBWQXTXGC-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])c(C)c2)cc1C#N	ZINC001243214964	823296471	/nfs/dbraw/zinc/29/64/71/823296471.db2.gz	XKBFOJRIIMUYTE-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C[C@@]1(C#N)CCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232629678	818405444	/nfs/dbraw/zinc/40/54/44/818405444.db2.gz	VZHUXVGQQRONQL-ZDUSSCGKSA-N	-1	0	285.174	3.435	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243322698	823347287	/nfs/dbraw/zinc/34/72/87/823347287.db2.gz	DHFGIKAXANRMEH-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1n[n-]c(=O)cc1Cl	ZINC001233591596	818652249	/nfs/dbraw/zinc/65/22/49/818652249.db2.gz	YBIJWDBUCHMCMO-VIFPVBQESA-N	-1	0	256.733	3.349	20	30		CGEDRM
CC#CC[C@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835504	818715967	/nfs/dbraw/zinc/71/59/67/818715967.db2.gz	ZMCRRRSRRHOPII-LBPRGKRZSA-N	-1	0	272.300	3.069	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2)nc(C(F)(F)F)c1	ZINC001236055291	819289888	/nfs/dbraw/zinc/28/98/88/819289888.db2.gz	GXCJRRBFBPUNIY-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236064756	819297135	/nfs/dbraw/zinc/29/71/35/819297135.db2.gz	UOUQUAKAXASWHA-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1ccnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001236148249	819346858	/nfs/dbraw/zinc/34/68/58/819346858.db2.gz	PKXRFZOIPMOOAE-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#Cc1ccc(-c2nc[n-]c3nc(=S)sc2-3)c(F)c1	ZINC001236524486	819516288	/nfs/dbraw/zinc/51/62/88/819516288.db2.gz	YJMHUGSBDACGJI-UHFFFAOYSA-N	-1	0	288.332	3.053	20	30		CGEDRM
N#CC[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238150866	819942170	/nfs/dbraw/zinc/94/21/70/819942170.db2.gz	BXMUOCPAPYKBRL-JTQLQIEISA-N	-1	0	282.746	3.310	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])cc2F)cn1	ZINC001239261676	820243970	/nfs/dbraw/zinc/24/39/70/820243970.db2.gz	LNKYRMIMWPFAQH-UHFFFAOYSA-N	-1	0	284.290	3.387	20	30		CGEDRM
O=C([O-])/C=C/c1cccc(-c2cccc(/C=N/O)c2)c1	ZINC001240550302	821136326	/nfs/dbraw/zinc/13/63/26/821136326.db2.gz	ZSHQXYNJBCREES-NXFWIZADSA-N	-1	0	267.284	3.260	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(F)c(C#N)c(F)c1	ZINC001240734814	821287691	/nfs/dbraw/zinc/28/76/91/821287691.db2.gz	JSNVGNAPBDOHHL-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])s2)cc(F)c1C#N	ZINC001240847274	821366970	/nfs/dbraw/zinc/36/69/70/821366970.db2.gz	FYCXDLHQIRBWPI-UHFFFAOYSA-N	-1	0	261.277	3.433	20	30		CGEDRM
Cc1cc(C#N)c(-c2c(F)cc([O-])cc2F)nc1C	ZINC001241117463	821572174	/nfs/dbraw/zinc/57/21/74/821572174.db2.gz	PPFMNNBEXMZEAN-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001241184537	821621914	/nfs/dbraw/zinc/62/19/14/821621914.db2.gz	BSMUXUYQBUTYRN-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241246422	821667840	/nfs/dbraw/zinc/66/78/40/821667840.db2.gz	RULSESIHNRZRKZ-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001241248109	821669942	/nfs/dbraw/zinc/66/99/42/821669942.db2.gz	XVCBGAINNJTIRL-RQZCQDPDSA-N	-1	0	273.263	3.389	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])c(Cl)c3)cnc12	ZINC001241349640	821753075	/nfs/dbraw/zinc/75/30/75/821753075.db2.gz	FRFYLQIWCXGPGW-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cn1	ZINC001241350006	821753186	/nfs/dbraw/zinc/75/31/86/821753186.db2.gz	RHGSQAAQEZZGOB-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc(C(=O)[O-])c1)CCCC2	ZINC001241358057	821758787	/nfs/dbraw/zinc/75/87/87/821758787.db2.gz	NTIAMEJAMJHRHF-UHFFFAOYSA-N	-1	0	278.311	3.197	20	30		CGEDRM
N#Cc1ccc(-c2cccc(C(=O)[O-])c2)nc1C(F)(F)F	ZINC001241357498	821758792	/nfs/dbraw/zinc/75/87/92/821758792.db2.gz	UHQWQVMNSJXPRO-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
COc1ccc(-c2cc(C3(C#N)CC3)ccn2)cc1C(=O)[O-]	ZINC001241864741	822183646	/nfs/dbraw/zinc/18/36/46/822183646.db2.gz	DTYMMRFGBFIYPG-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
N#Cc1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1F	ZINC001242132116	822888809	/nfs/dbraw/zinc/88/88/09/822888809.db2.gz	VZVMAXMAOISFET-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CC1(c2cccc(-c3ccc(C(=O)[O-])nc3)c2)CC1	ZINC001242336174	822954070	/nfs/dbraw/zinc/95/40/70/822954070.db2.gz	AYQROVLRYUSWGO-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1cccc(F)c1[O-]	ZINC001242348650	822959711	/nfs/dbraw/zinc/95/97/11/822959711.db2.gz	WQGBZLFRBHTCJE-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1cccc(-c2cccc(C(=O)[O-])c2F)c1C#N	ZINC001242380290	822974821	/nfs/dbraw/zinc/97/48/21/822974821.db2.gz	ISZBZKWMRBGMJS-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc2[nH]ccc21	ZINC001242392272	822979598	/nfs/dbraw/zinc/97/95/98/822979598.db2.gz	QSYNJSXNFUAAQU-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#CC(=C([O-])c1scnc1C1CC1)c1cccc(F)n1	ZINC001343331572	936495354	/nfs/dbraw/zinc/49/53/54/936495354.db2.gz	ROOFLZOOOHJSSP-SECBINFHSA-N	-1	0	287.319	3.045	20	30		CGEDRM
C=C[C@H](C)OC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC001344771938	936543654	/nfs/dbraw/zinc/54/36/54/936543654.db2.gz	JTLYDJWCLDDBQI-QMMMGPOBSA-N	-1	0	298.364	3.221	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1nc2ccccc2s1	ZINC001452733034	937397858	/nfs/dbraw/zinc/39/78/58/937397858.db2.gz	FXPVEWZMRQTFPA-SECBINFHSA-N	-1	0	294.401	3.011	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c([O-])c2)C1	ZINC001452993089	937399968	/nfs/dbraw/zinc/39/99/68/937399968.db2.gz	FYAJBKIOKSFTKK-NSHDSACASA-N	-1	0	279.767	3.474	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1nccc(Br)c1[O-]	ZINC001454363567	937408326	/nfs/dbraw/zinc/40/83/26/937408326.db2.gz	JALRQZIDXUTATL-UHFFFAOYSA-N	-1	0	299.168	3.091	20	30		CGEDRM
Cc1cc(C#N)cc(NCc2cccc(Cl)c2O)n1	ZINC001458694423	937472098	/nfs/dbraw/zinc/47/20/98/937472098.db2.gz	IDOIIXGLCGKUGU-UHFFFAOYSA-N	-1	0	273.723	3.233	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1Cc2cccc3cccc1c23	ZINC001228898735	932048235	/nfs/dbraw/zinc/04/82/35/932048235.db2.gz	LBWFRUAQHFIEDT-HNNXBMFYSA-N	-1	0	288.306	3.488	20	30		CGEDRM
CC1=CC(=O)c2c(O[C@H](C)C3=CC=C[CH]3)cccc2C1=O	ZINC001229914279	932503229	/nfs/dbraw/zinc/50/32/29/932503229.db2.gz	PNRHZGMSPGOQEE-GFCCVEGCSA-N	-1	0	279.315	3.480	20	30		CGEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230665699	932604973	/nfs/dbraw/zinc/60/49/73/932604973.db2.gz	HESKOJXAQWFZAD-ZYHUDNBSSA-N	-1	0	294.310	3.262	20	30		CGEDRM
CC(C)=C[C@@H]1[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1(C)C	ZINC001471085351	937761519	/nfs/dbraw/zinc/76/15/19/937761519.db2.gz	DKFMAFMGPYHCBA-CABCVRRESA-N	-1	0	284.359	3.207	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001337955911	936299751	/nfs/dbraw/zinc/29/97/51/936299751.db2.gz	QPMKAJKDDUQNEH-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CCCC[C@@H](C(=O)[N-]OCC(F)F)c1ccccc1	ZINC001556160439	938150437	/nfs/dbraw/zinc/15/04/37/938150437.db2.gz	AAEBNSLQQQEOQJ-CYBMUJFWSA-N	-1	0	283.318	3.439	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001602718846	971378419	/nfs/dbraw/zinc/37/84/19/971378419.db2.gz	CUFMXRIAOGKCGG-UONOGXRCSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C#CCN(CC(=O)[O-])[C@H](C)c1ccc(Cl)cc1Cl	ZINC000092492016	949161799	/nfs/dbraw/zinc/16/17/99/949161799.db2.gz	DPYKULQLFHWTRD-SECBINFHSA-N	-1	0	286.158	3.074	20	30		CGEDRM
C=C(C)CCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000387482526	972124636	/nfs/dbraw/zinc/12/46/36/972124636.db2.gz	VIFPPPBAJAKKEC-UHFFFAOYSA-N	-1	0	282.727	3.126	20	30		CGEDRM
CCCCCCCCC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000059218934	957560883	/nfs/dbraw/zinc/56/08/83/957560883.db2.gz	JMKKSHQKOMDPOU-HNNXBMFYSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCCCCCCCNC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000147258774	958997743	/nfs/dbraw/zinc/99/77/43/958997743.db2.gz	NUBLPWPGNNSMRT-UHFFFAOYSA-N	-1	0	298.427	3.243	20	30		CGEDRM
N#Cc1ccc(Oc2nc(Cl)c(C(=O)[O-])s2)c(F)c1	ZINC000232345857	960258157	/nfs/dbraw/zinc/25/81/57/960258157.db2.gz	ZZAFJSUPBVVGDN-UHFFFAOYSA-N	-1	0	298.682	3.298	20	30		CGEDRM
CCCC[C@@H](Sc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001595657867	960536669	/nfs/dbraw/zinc/53/66/69/960536669.db2.gz	UTPDTIFXIJKNJF-LLVKDONJSA-N	-1	0	294.332	3.202	20	30		CGEDRM
N#Cc1c(CSCc2ccco2)cccc1C(=O)[O-]	ZINC001601080300	960544558	/nfs/dbraw/zinc/54/45/58/960544558.db2.gz	HWRPNFFMSLQLQW-UHFFFAOYSA-N	-1	0	273.313	3.283	20	30		CGEDRM
C=CCC(C)(C)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC001602718058	960548393	/nfs/dbraw/zinc/54/83/93/960548393.db2.gz	CJCODDGBSVTAQZ-UHFFFAOYSA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC001602828186	960551611	/nfs/dbraw/zinc/55/16/11/960551611.db2.gz	YIIDBGBUIBOIGL-SNVBAGLBSA-N	-1	0	287.262	3.308	20	30		CGEDRM
C=C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)C	ZINC001602828093	960552371	/nfs/dbraw/zinc/55/23/71/960552371.db2.gz	WCERDNVJQMBQRQ-SRVKXCTJSA-N	-1	0	268.353	3.021	20	30		CGEDRM
Cc1cc(C#N)cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1	ZINC001574307612	962294492	/nfs/dbraw/zinc/29/44/92/962294492.db2.gz	DPXUMBRPTRBPLY-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C	ZINC001573332400	962833025	/nfs/dbraw/zinc/83/30/25/962833025.db2.gz	IQFQKMFQZWKTCW-QWHCGFSZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001573347811	962952623	/nfs/dbraw/zinc/95/26/23/962952623.db2.gz	OLMFQVXHXFTGGV-VIFPVBQESA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-]	ZINC001573358294	963026042	/nfs/dbraw/zinc/02/60/42/963026042.db2.gz	XWPGWEQKAATSHC-UHFFFAOYSA-N	-1	0	285.702	3.472	20	30		CGEDRM
C=CCCc1ccccc1NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001573359955	963029040	/nfs/dbraw/zinc/02/90/40/963029040.db2.gz	BOBYMHXCAKKKFH-YPMHNXCESA-N	-1	0	281.302	3.183	20	30		CGEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC001588712858	963118334	/nfs/dbraw/zinc/11/83/34/963118334.db2.gz	ODDSXCFYNGAFMS-LBPRGKRZSA-N	-1	0	280.295	3.281	20	30		CGEDRM
C#C[C@H](CC)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC001588369381	963267814	/nfs/dbraw/zinc/26/78/14/963267814.db2.gz	KDFNXYSAQJESIT-BXKDBHETSA-N	-1	0	286.158	3.121	20	30		CGEDRM
C=CCC[C@@H](C(=O)N(C)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC001588457152	963276446	/nfs/dbraw/zinc/27/64/46/963276446.db2.gz	NELGKRHMLOGHDM-CABCVRRESA-N	-1	0	289.375	3.058	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC001588536632	963276861	/nfs/dbraw/zinc/27/68/61/963276861.db2.gz	SIALPXBOXWYEAY-SECBINFHSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C(C)CCC(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-]	ZINC001588555091	963282506	/nfs/dbraw/zinc/28/25/06/963282506.db2.gz	YROITKPQEIDQMY-BLLLJJGKSA-N	-1	0	287.359	3.021	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)c2cc(C(=O)[O-])ccn2)c1	ZINC001588605233	963290816	/nfs/dbraw/zinc/29/08/16/963290816.db2.gz	DTJWSYFBMPZIJD-UHFFFAOYSA-N	-1	0	282.299	3.065	20	30		CGEDRM
C=C(C)c1cccc(NCc2cc(C(=O)[O-])no2)c1	ZINC001588606307	963291946	/nfs/dbraw/zinc/29/19/46/963291946.db2.gz	WFAWOCKRXXJSOZ-UHFFFAOYSA-N	-1	0	258.277	3.018	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001588605996	963294559	/nfs/dbraw/zinc/29/45/59/963294559.db2.gz	STWVBCVLGHRDPS-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=C1CCC(C(=O)Oc2cccc(C(=O)[O-])c2)CC1	ZINC001588649865	963299074	/nfs/dbraw/zinc/29/90/74/963299074.db2.gz	IXNDGLMOCOHFCB-UHFFFAOYSA-N	-1	0	260.289	3.037	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1	ZINC001588649834	963300988	/nfs/dbraw/zinc/30/09/88/963300988.db2.gz	GQDJDIWDTYIRBQ-UHFFFAOYSA-N	-1	0	295.285	3.348	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588719472	963302645	/nfs/dbraw/zinc/30/26/45/963302645.db2.gz	UIZKAQBEOZLJNS-CYBMUJFWSA-N	-1	0	288.347	3.266	20	30		CGEDRM
C=C[C@@H](Nc1cccc(OCCC(C)C)c1)C(=O)[O-]	ZINC001588702258	963304598	/nfs/dbraw/zinc/30/45/98/963304598.db2.gz	OHYWRQSVHKIRCR-CQSZACIVSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=C[C@H](Nc1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-]	ZINC001588701890	963304979	/nfs/dbraw/zinc/30/49/79/963304979.db2.gz	CFELTPPFLWPKOX-AWEZNQCLSA-N	-1	0	284.315	3.233	20	30		CGEDRM
C=C[C@@H](Nc1ccc(OCCC(C)C)cc1)C(=O)[O-]	ZINC001588701901	963306330	/nfs/dbraw/zinc/30/63/30/963306330.db2.gz	CKHHATGDYQSTHZ-CQSZACIVSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=CC[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)[O-]	ZINC001588761875	963308761	/nfs/dbraw/zinc/30/87/61/963308761.db2.gz	CRMCQPPKDWDQHP-LLVKDONJSA-N	-1	0	295.408	3.049	20	30		CGEDRM
C=CC[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588745311	963310326	/nfs/dbraw/zinc/31/03/26/963310326.db2.gz	HNVVQKCLVKYBGA-WCQYABFASA-N	-1	0	286.331	3.022	20	30		CGEDRM
C=CCC[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])C1CC1	ZINC001588778471	963314442	/nfs/dbraw/zinc/31/44/42/963314442.db2.gz	BHVSTNZHCVYFJE-OAHLLOKOSA-N	-1	0	288.343	3.215	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)CC1(C=C)CCCCC1)C(=O)[O-]	ZINC001588790609	963316200	/nfs/dbraw/zinc/31/62/00/963316200.db2.gz	ZUOCXNKIGWQDND-CQSZACIVSA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CCCCC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC001588782531	963317818	/nfs/dbraw/zinc/31/78/18/963317818.db2.gz	HCTHUXKFHYGQRH-UHFFFAOYSA-N	-1	0	267.369	3.027	20	30		CGEDRM
C=CCCNc1cc(Br)c(F)c(C(=O)[O-])c1	ZINC001588808490	963319777	/nfs/dbraw/zinc/31/97/77/963319777.db2.gz	CFGMEUYWXNELPQ-UHFFFAOYSA-N	-1	0	288.116	3.274	20	30		CGEDRM
C=CCN(Cc1nc(C(=O)[O-])cs1)Cc1ccccc1	ZINC001588832928	963320245	/nfs/dbraw/zinc/32/02/45/963320245.db2.gz	YIIANMOYWSQONU-UHFFFAOYSA-N	-1	0	288.372	3.030	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588799810	963320581	/nfs/dbraw/zinc/32/05/81/963320581.db2.gz	JVQBPJZJFSFJJN-UHFFFAOYSA-N	-1	0	293.338	3.342	20	30		CGEDRM
C=CCCCCCCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588798700	963323081	/nfs/dbraw/zinc/32/30/81/963323081.db2.gz	OVKMMSDJRNNMJN-UHFFFAOYSA-N	-1	0	292.379	3.196	20	30		CGEDRM
C=CCOc1ccccc1/C=C\C(=O)c1cc(C(=O)[O-])co1	ZINC001588877536	963325482	/nfs/dbraw/zinc/32/54/82/963325482.db2.gz	YWVCNHHPFQHWOS-FPLPWBNLSA-N	-1	0	298.294	3.439	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1	ZINC001589641250	964013446	/nfs/dbraw/zinc/01/34/46/964013446.db2.gz	OGYBVNNJXITWCH-RISCZKNCSA-N	-1	0	272.348	3.153	20	30		CGEDRM
C#CCCCCCC(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588442894	964060138	/nfs/dbraw/zinc/06/01/38/964060138.db2.gz	ZKGTZBGLOLZJQQ-UHFFFAOYSA-N	-1	0	288.343	3.320	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000393748928	972635057	/nfs/dbraw/zinc/63/50/57/972635057.db2.gz	RZGRQKUDCMPOBH-ZDUSSCGKSA-N	-1	0	290.363	3.180	20	30		CGEDRM
CC(C)c1ccc(NC(=O)CCCC#N)c(C(=O)[O-])c1	ZINC001591962231	976546178	/nfs/dbraw/zinc/54/61/78/976546178.db2.gz	FEUGFVIOEKSJFS-UHFFFAOYSA-N	-1	0	274.320	3.141	20	30		CGEDRM
CC(CC(C)(C)CC(=O)[O-])=NNCCC(C)(C)C	ZINC001592445298	978110854	/nfs/dbraw/zinc/11/08/54/978110854.db2.gz	ZSLVIVZUEXGWDZ-UHFFFAOYSA-N	-1	0	256.390	3.279	20	30		CGEDRM
CC[C@H](C)n1nc(C(=O)[O-])cc1-c1ccc(C#N)cc1	ZINC001595023318	979114910	/nfs/dbraw/zinc/11/49/10/979114910.db2.gz	RTKGJVGAZMAKBT-JTQLQIEISA-N	-1	0	269.304	3.091	20	30		CGEDRM
CCC(CC)CNN=C1CCC(CC(=O)[O-])CC1	ZINC001595116590	979477408	/nfs/dbraw/zinc/47/74/08/979477408.db2.gz	ZSBQLLFFQDTBCA-UHFFFAOYSA-N	-1	0	254.374	3.033	20	30		CGEDRM
CC[C@@](C/N=C/c1ccccc1O)(C(=O)[O-])c1ccccc1	ZINC001595130890	979545056	/nfs/dbraw/zinc/54/50/56/979545056.db2.gz	DPAOZQSYRFGWDC-LPGQDOADSA-N	-1	0	297.354	3.244	20	30		CGEDRM
C[C@]1(CN=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1c1ccccc1	ZINC001599938634	985427781	/nfs/dbraw/zinc/42/77/81/985427781.db2.gz	MMFLMYGZJPWGLB-RHSMWYFYSA-N	-1	0	295.342	3.371	20	30		CGEDRM
CCC(C#N)(CC)C(=O)OCc1ccc(C)c(C(=O)[O-])c1	ZINC001594722420	987212656	/nfs/dbraw/zinc/21/26/56/987212656.db2.gz	OZJCHCBIKGACCU-UHFFFAOYSA-N	-1	0	289.331	3.066	20	30		CGEDRM
CC(C)(CCN=Nc1nccc2sccc21)C(=O)[O-]	ZINC001590654752	990348714	/nfs/dbraw/zinc/34/87/14/990348714.db2.gz	SZMOGSINMOWJNN-UHFFFAOYSA-N	-1	0	277.349	3.195	20	30		CGEDRM
CC(C)(CNc1ccc(C(=O)[O-])nc1C#N)C1=CCCC1	ZINC001590774304	990577221	/nfs/dbraw/zinc/57/72/21/990577221.db2.gz	PDDYQIKKGFQTEY-UHFFFAOYSA-N	-1	0	285.347	3.200	20	30		CGEDRM
COCC(N=Nc1cccc(C(=O)[O-])c1F)C1CCCC1	ZINC001599142015	998147416	/nfs/dbraw/zinc/14/74/16/998147416.db2.gz	WHXFEUGISUSONY-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)sc1C	ZINC000091010987	345800457	/nfs/dbraw/zinc/80/04/57/345800457.db2.gz	UJYQDZRDSBQNSO-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#CC(=C([O-])c1conc1C1CC1)c1nc2ccccc2o1	ZINC000574947515	346669656	/nfs/dbraw/zinc/66/96/56/346669656.db2.gz	HSSQBVZRDZGIFX-SNVBAGLBSA-N	-1	0	293.282	3.183	20	30		CGEDRM
CC(C)(C)c1n[n-]c(=NCC2(C#N)CCCCC2)s1	ZINC000596500034	347469301	/nfs/dbraw/zinc/46/93/01/347469301.db2.gz	YSOXZFKGYAVZOB-UHFFFAOYSA-N	-1	0	278.425	3.143	20	30		CGEDRM
N#CC1(CC(=O)Nc2ccc(F)c(F)c2[O-])CCCCC1	ZINC000597757509	347591083	/nfs/dbraw/zinc/59/10/83/347591083.db2.gz	JSJCMXWZDGNBKD-UHFFFAOYSA-N	-1	0	294.301	3.473	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C(C)C)cc2)c(=O)c1CCC#N	ZINC000601938561	347926625	/nfs/dbraw/zinc/92/66/25/347926625.db2.gz	MBMTUHVVVYUJBY-HNNXBMFYSA-N	-1	0	269.348	3.452	20	30		CGEDRM
Cc1sc(NC(=O)C(C)(C)CCC(=O)[O-])c(C#N)c1C	ZINC000601985380	347931371	/nfs/dbraw/zinc/93/13/71/347931371.db2.gz	VALIGMXHRBVLLE-UHFFFAOYSA-N	-1	0	294.376	3.066	20	30		CGEDRM
C=CCN=c1[n-]nc(SCCC2CCCC2)s1	ZINC000607436878	348237744	/nfs/dbraw/zinc/23/77/44/348237744.db2.gz	QGSDQHMAOHLNAX-UHFFFAOYSA-N	-1	0	269.439	3.230	20	30		CGEDRM
C[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1cccc(C#N)c1	ZINC000610340458	348375472	/nfs/dbraw/zinc/37/54/72/348375472.db2.gz	YMGUHHRQBMMWQN-GFCCVEGCSA-N	-1	0	290.326	3.203	20	30		CGEDRM
C=CCCCCCNC(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000634844852	351595940	/nfs/dbraw/zinc/59/59/40/351595940.db2.gz	ULIAFFATDVRDAJ-UHFFFAOYSA-N	-1	0	297.301	3.139	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634927760	351604856	/nfs/dbraw/zinc/60/48/56/351604856.db2.gz	XZHRQTIHPHFDNM-QWHCGFSZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCN(C(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1	ZINC000634940281	351606455	/nfs/dbraw/zinc/60/64/55/351606455.db2.gz	ZSANLMVYULVTRS-UHFFFAOYSA-N	-1	0	287.359	3.241	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000634945721	351607317	/nfs/dbraw/zinc/60/73/17/351607317.db2.gz	YEFSRTUDPROADL-ZDUSSCGKSA-N	-1	0	287.359	3.182	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000041554461	369191160	/nfs/dbraw/zinc/19/11/60/369191160.db2.gz	FLKHPSDDLQPGCN-NSHDSACASA-N	-1	0	294.232	3.492	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)oc1C	ZINC000128575372	370964427	/nfs/dbraw/zinc/96/44/27/370964427.db2.gz	NFKYCZIGHHMUOZ-NSHDSACASA-N	-1	0	279.299	3.263	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1nc(-c2ccncc2)cs1	ZINC000114621063	370505290	/nfs/dbraw/zinc/50/52/90/370505290.db2.gz	BQIKAVBUUVFZCJ-GFCCVEGCSA-N	-1	0	295.323	3.288	20	30		CGEDRM
CCC(CC)(CNc1cccc(F)c1C#N)C(=O)[O-]	ZINC000137656746	371499156	/nfs/dbraw/zinc/49/91/56/371499156.db2.gz	CHUOEZVGYRSWHE-UHFFFAOYSA-N	-1	0	264.300	3.000	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000443113859	373150741	/nfs/dbraw/zinc/15/07/41/373150741.db2.gz	JHPIGJLJOMWQHV-ZDUSSCGKSA-N	-1	0	298.726	3.495	20	30		CGEDRM
CCS[C@H]1CCC[C@@H](/N=C/c2ccc(O)c(O)c2O)C1	ZINC000176413901	373593666	/nfs/dbraw/zinc/59/36/66/373593666.db2.gz	HHVXMZXHDLHWQU-QPBATNEMSA-N	-1	0	295.404	3.287	20	30		CGEDRM
N#Cc1ccc(/C=C\c2ncc(C(=O)[O-])s2)c(F)c1	ZINC000448115518	373550101	/nfs/dbraw/zinc/55/01/01/373550101.db2.gz	FQNVUVHTQGKWGK-ARJAWSKDSA-N	-1	0	274.276	3.022	20	30		CGEDRM
N#CC1(C(=O)Nc2cccc(Cl)c2[O-])CCCC1	ZINC000179724956	373910344	/nfs/dbraw/zinc/91/03/44/373910344.db2.gz	JGSVTBDCVNEARL-UHFFFAOYSA-N	-1	0	264.712	3.068	20	30		CGEDRM
CC(C)[C@@H]1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1	ZINC000329935634	374442975	/nfs/dbraw/zinc/44/29/75/374442975.db2.gz	KMFNHOVKUUETSY-NXEZZACHSA-N	-1	0	268.382	3.368	20	30		CGEDRM
C=C[C@@H](CC(=O)N(CCC(=O)[O-])C(C)C)c1ccccc1	ZINC000263250028	190067449	/nfs/dbraw/zinc/06/74/49/190067449.db2.gz	JDPSEJFCGKZFSN-AWEZNQCLSA-N	-1	0	289.375	3.058	20	30		CGEDRM
Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1C	ZINC000194958662	542278036	/nfs/dbraw/zinc/27/80/36/542278036.db2.gz	XSBBEZMYMNOMAQ-LBPRGKRZSA-N	-1	0	287.388	3.404	20	30		CGEDRM
CCc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1	ZINC000647380148	392713973	/nfs/dbraw/zinc/71/39/73/392713973.db2.gz	OQDLLZYPUMZREX-LBPRGKRZSA-N	-1	0	297.383	3.468	20	30		CGEDRM
Cc1ccc2sc(C([O-])=C(C#N)c3ccncn3)cc2c1	ZINC000355203663	393255709	/nfs/dbraw/zinc/25/57/09/393255709.db2.gz	IZKSJOOKFDSIKV-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000361116038	393677608	/nfs/dbraw/zinc/67/76/08/393677608.db2.gz	OJTFDPDHBXXPED-UHFFFAOYSA-N	-1	0	290.344	3.075	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)NCCCCC(=O)[O-]	ZINC000669505588	543108151	/nfs/dbraw/zinc/10/81/51/543108151.db2.gz	LULMWIJEWNMSIL-UHFFFAOYSA-N	-1	0	290.363	3.182	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000678981335	543579979	/nfs/dbraw/zinc/57/99/79/543579979.db2.gz	SQDXGNLIYBHZGI-UHFFFAOYSA-N	-1	0	279.380	3.001	20	30		CGEDRM
N#CC(=C([O-])c1ccc(-c2ccco2)s1)c1ccncn1	ZINC000680618378	543720013	/nfs/dbraw/zinc/72/00/13/543720013.db2.gz	PIWQONHTJUFBEM-SNVBAGLBSA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(C(C)C)n2)n1	ZINC000354486786	227012657	/nfs/dbraw/zinc/01/26/57/227012657.db2.gz	BPAUFJQPOAFOMV-LLVKDONJSA-N	-1	0	285.372	3.460	20	30		CGEDRM
Cc1cscc1[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000137703812	287490524	/nfs/dbraw/zinc/49/05/24/287490524.db2.gz	TVXXHFHBBAXXBD-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1	ZINC000076756419	260166727	/nfs/dbraw/zinc/16/67/27/260166727.db2.gz	XDSFSCUTLUBOQW-YPMHNXCESA-N	-1	0	295.404	3.467	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C)C1	ZINC000076756414	260166757	/nfs/dbraw/zinc/16/67/57/260166757.db2.gz	XDSFSCUTLUBOQW-AAEUAGOBSA-N	-1	0	295.404	3.467	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1Cl	ZINC000080298687	260179709	/nfs/dbraw/zinc/17/97/09/260179709.db2.gz	DFNAKQQYLOAHGA-UHFFFAOYSA-N	-1	0	287.768	3.094	20	30		CGEDRM
Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058075245	262350355	/nfs/dbraw/zinc/35/03/55/262350355.db2.gz	MKLPIFGFXZGPJD-UHFFFAOYSA-N	-1	0	299.367	3.101	20	30		CGEDRM
C=CCC(F)(F)C(=O)NCc1c(Cl)cccc1OC	ZINC000294334152	265011599	/nfs/dbraw/zinc/01/15/99/265011599.db2.gz	AEJCYDURELZLJJ-UHFFFAOYSA-N	-1	0	289.709	3.176	20	30		CGEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2N=c1[n-]nc(C2CC2)s1	ZINC000419011598	303201370	/nfs/dbraw/zinc/20/13/70/303201370.db2.gz	BBKLRBCWIWFJAG-AWEZNQCLSA-N	-1	0	296.399	3.199	20	30		CGEDRM
N#Cc1c(F)cccc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000187331094	327713145	/nfs/dbraw/zinc/71/31/45/327713145.db2.gz	OKYMMJQBJAVFPH-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1cc(C)ccc1C1CC1)C(=O)[O-]	ZINC000425250926	329650549	/nfs/dbraw/zinc/65/05/49/329650549.db2.gz	GEHDPEZIFOFTMN-OAHLLOKOSA-N	-1	0	287.359	3.022	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000262831835	330034722	/nfs/dbraw/zinc/03/47/22/330034722.db2.gz	BQVPRWXYBWXDQV-LSDHHAIUSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CCC[C@H](NC(=O)CC/C=C/c1ccccc1)C(=O)[O-]	ZINC000262982488	330037966	/nfs/dbraw/zinc/03/79/66/330037966.db2.gz	UNDVYAHXRDDEKT-USYSOWRXSA-N	-1	0	287.359	3.016	20	30		CGEDRM
C=CCCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1	ZINC000263413742	330054840	/nfs/dbraw/zinc/05/48/40/330054840.db2.gz	NFLMCGJCJXRHQW-CQSZACIVSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])c(CC)o1	ZINC000263533276	330059093	/nfs/dbraw/zinc/05/90/93/330059093.db2.gz	NKCQIXZHWJPEPI-SNVBAGLBSA-N	-1	0	279.336	3.015	20	30		CGEDRM
C=C1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1	ZINC000580440324	330135579	/nfs/dbraw/zinc/13/55/79/330135579.db2.gz	BWNNDOZXGSATOV-ZDUSSCGKSA-N	-1	0	283.730	3.257	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1	ZINC000448544391	330632160	/nfs/dbraw/zinc/63/21/60/330632160.db2.gz	SOXJOAUFURHWRQ-LBPRGKRZSA-N	-1	0	285.372	3.460	20	30		CGEDRM
C=CCSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000487433957	331970273	/nfs/dbraw/zinc/97/02/73/331970273.db2.gz	AVOPPSUQMVKRAQ-CYBMUJFWSA-N	-1	0	295.367	3.245	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC(C)(C)C[C@@H]2C)n1	ZINC000748247353	572970276	/nfs/dbraw/zinc/97/02/76/572970276.db2.gz	ULEJNWVQBLWURX-VIFPVBQESA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(O)c(C)c1	ZINC000728224776	571795528	/nfs/dbraw/zinc/79/55/28/571795528.db2.gz	AHAYALHVJNRHTQ-UHFFFAOYSA-N	-1	0	284.315	3.235	20	30		CGEDRM
C=CCCC(=O)Nc1ccccc1CN(CC)C(=O)[O-]	ZINC000738489172	571802236	/nfs/dbraw/zinc/80/22/36/571802236.db2.gz	RYKASMLNCDBGDM-UHFFFAOYSA-N	-1	0	276.336	3.091	20	30		CGEDRM
CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1nccs1	ZINC000737442990	572343750	/nfs/dbraw/zinc/34/37/50/572343750.db2.gz	FYGOIOARRFJIAP-SHLUWWQESA-N	-1	0	291.332	3.327	20	30		CGEDRM
C=CCc1ccccc1OC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000738503550	572377377	/nfs/dbraw/zinc/37/73/77/572377377.db2.gz	RRWIJOSFXGVCKY-UHFFFAOYSA-N	-1	0	291.347	3.147	20	30		CGEDRM
Cc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F	ZINC000738628353	572383145	/nfs/dbraw/zinc/38/31/45/572383145.db2.gz	POBZNJJRHGVJMK-OAHLLOKOSA-N	-1	0	284.290	3.244	20	30		CGEDRM
N#Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)c(F)c1	ZINC000739121196	572402974	/nfs/dbraw/zinc/40/29/74/572402974.db2.gz	LYURGBFMEUFVBR-UHFFFAOYSA-N	-1	0	299.305	3.442	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Oc3c(cccc3Cl)C2=O)o1	ZINC000740123861	572432875	/nfs/dbraw/zinc/43/28/75/572432875.db2.gz	PSEIPOTXAXCIRJ-WDZFZDKYSA-N	-1	0	290.658	3.247	20	30		CGEDRM
O=C([O-])NC1CCC(/N=C/c2cc(Cl)ccc2O)CC1	ZINC000740553001	572446302	/nfs/dbraw/zinc/44/63/02/572446302.db2.gz	OCUMBFPLFTXIQM-LZYBPNLTSA-N	-1	0	296.754	3.043	20	30		CGEDRM
C[C@]1(c2ccccc2)C[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000741464394	572501057	/nfs/dbraw/zinc/50/10/57/572501057.db2.gz	OMFXKLKVZBCFAQ-JMDKGTDFSA-N	-1	0	296.326	3.450	20	30		CGEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2ccccc2)c1	ZINC000733205516	572542859	/nfs/dbraw/zinc/54/28/59/572542859.db2.gz	YJFSJFIZEZAFQS-KTKRTIGZSA-N	-1	0	282.295	3.046	20	30		CGEDRM
CS[C@@H]1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000743043592	572636001	/nfs/dbraw/zinc/63/60/01/572636001.db2.gz	XKMKJBZXDQLJHF-HVBAWBJTSA-N	-1	0	280.349	3.003	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736108268	572768188	/nfs/dbraw/zinc/76/81/88/572768188.db2.gz	RCALPNURBYELME-UHFFFAOYSA-N	-1	0	293.298	3.122	20	30		CGEDRM
C#Cc1cccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1	ZINC000736091511	572768358	/nfs/dbraw/zinc/76/83/58/572768358.db2.gz	XNOHYIGMZLEONI-UHFFFAOYSA-N	-1	0	295.298	3.402	20	30		CGEDRM
CCCCCCCC(=O)N(CC(=O)[O-])c1cccc(C)n1	ZINC000736982860	572832476	/nfs/dbraw/zinc/83/24/76/572832476.db2.gz	DOWUEXSFNFVBFT-UHFFFAOYSA-N	-1	0	292.379	3.168	20	30		CGEDRM
CC[N@H+](Cc1cc(C(=O)[O-])co1)[C@@H](C)c1ccc(C#N)cc1	ZINC000737101782	572860702	/nfs/dbraw/zinc/86/07/02/572860702.db2.gz	IBBSXHHJWINOKM-LBPRGKRZSA-N	-1	0	298.342	3.433	20	30		CGEDRM
C[C@H](Oc1cccc(C=NOCc2ccccc2)c1)C(=O)[O-]	ZINC000746681597	572891703	/nfs/dbraw/zinc/89/17/03/572891703.db2.gz	FOZFBWZRPWOSIK-ZDUSSCGKSA-N	-1	0	299.326	3.089	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)s1	ZINC000774134131	598201692	/nfs/dbraw/zinc/20/16/92/598201692.db2.gz	IJHHDYSCOGEMSR-XQRVVYSFSA-N	-1	0	283.308	3.214	20	30		CGEDRM
C#Cc1cccc(N(CC)C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000236799981	599937733	/nfs/dbraw/zinc/93/77/33/599937733.db2.gz	DXXFSOHXYLNPOY-UHFFFAOYSA-N	-1	0	299.351	3.094	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000136011721	600266906	/nfs/dbraw/zinc/26/69/06/600266906.db2.gz	WZOATNGANJHALP-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)o1	ZINC000016975901	600316584	/nfs/dbraw/zinc/31/65/84/600316584.db2.gz	BANYTUALJGETKK-VMPITWQZSA-N	-1	0	256.257	3.182	20	30		CGEDRM
CCC[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736965966	600615590	/nfs/dbraw/zinc/61/55/90/600615590.db2.gz	VVPHIKRZNOCFEB-NHYWBVRUSA-N	-1	0	289.331	3.053	20	30		CGEDRM
N#Cc1ccc2c(c1)CC/C(=C\c1ccc(C(=O)[O-])o1)C2=O	ZINC000833073628	600830197	/nfs/dbraw/zinc/83/01/97/600830197.db2.gz	FTIDMXNZOLVZBO-XYOKQWHBSA-N	-1	0	293.278	3.062	20	30		CGEDRM
N#CC1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCCC1	ZINC000833064137	600912680	/nfs/dbraw/zinc/91/26/80/600912680.db2.gz	FQIHSQDGHVYVTN-UHFFFAOYSA-N	-1	0	292.722	3.061	20	30		CGEDRM
C=CCCCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1	ZINC000825671110	601206575	/nfs/dbraw/zinc/20/65/75/601206575.db2.gz	CRKAVYDCHSKDFW-NSHDSACASA-N	-1	0	262.305	3.345	20	30		CGEDRM
N#Cc1ccc(OCCOc2ccccc2NC(=O)[O-])cc1	ZINC000833071795	601369056	/nfs/dbraw/zinc/36/90/56/601369056.db2.gz	OXRNLMAYWVBLNJ-UHFFFAOYSA-N	-1	0	298.298	3.106	20	30		CGEDRM
C=CCCCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC000825664542	601449913	/nfs/dbraw/zinc/44/99/13/601449913.db2.gz	DEBQLIWXKJIBTE-UHFFFAOYSA-N	-1	0	295.766	3.110	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc3c(c2)CCCC3)c[nH]1	ZINC000833092721	601792096	/nfs/dbraw/zinc/79/20/96/601792096.db2.gz	LJLISDCVPLXGRV-YVMONPNESA-N	-1	0	295.338	3.488	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000776648058	602359999	/nfs/dbraw/zinc/35/99/99/602359999.db2.gz	XYJLBQNSHDRSEV-UHFFFAOYSA-N	-1	0	277.295	3.231	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(NCc2ccc(C#N)o2)cc1	ZINC000825449149	603179362	/nfs/dbraw/zinc/17/93/62/603179362.db2.gz	KXQKOJWOLUEEQJ-JTQLQIEISA-N	-1	0	285.303	3.092	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(Cl)c(C)c2)c1=O	ZINC000899357963	620663346	/nfs/dbraw/zinc/66/33/46/620663346.db2.gz	PETWJGHPPLIVCY-LBPRGKRZSA-N	-1	0	260.724	3.010	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccnn2C2CCC2)c([O-])c1	ZINC000899362044	620669976	/nfs/dbraw/zinc/66/99/76/620669976.db2.gz	IIVIUPORQZIPKJ-YVMONPNESA-N	-1	0	298.342	3.218	20	30		CGEDRM
CC(C(=O)OCc1cccc(C(=O)[O-])c1C#N)=C1CCCC1	ZINC000833409607	604583929	/nfs/dbraw/zinc/58/39/29/604583929.db2.gz	NNHBVTMTAMMAJI-UHFFFAOYSA-N	-1	0	299.326	3.190	20	30		CGEDRM
C[C@@H]1CC/C(=C\C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833600264	604584607	/nfs/dbraw/zinc/58/46/07/604584607.db2.gz	CVPVUMFLBYNADA-OYGDSYQHSA-N	-1	0	299.326	3.046	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832637586	604629839	/nfs/dbraw/zinc/62/98/39/604629839.db2.gz	WJRJVUAWMYKNBV-VOTSOKGWSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CC(N=Nc1nccnc1Cl)[C@H](C)CCCCC(=O)[O-]	ZINC000814850372	604640707	/nfs/dbraw/zinc/64/07/07/604640707.db2.gz	LCZSLJKOIRBXOG-SECBINFHSA-N	-1	0	298.774	3.199	20	30		CGEDRM
C=CCCC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1	ZINC000833373687	604975136	/nfs/dbraw/zinc/97/51/36/604975136.db2.gz	YBNNGUYTHXGZSF-CQSZACIVSA-N	-1	0	275.348	3.017	20	30		CGEDRM
CC1=CCC[C@H](C)[C@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000773206027	605004664	/nfs/dbraw/zinc/00/46/64/605004664.db2.gz	CNLGLNGQQXZEAH-AAEUAGOBSA-N	-1	0	273.336	3.170	20	30		CGEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(Cl)cc1	ZINC000833408073	605038442	/nfs/dbraw/zinc/03/84/42/605038442.db2.gz	VXBKLGXURLYFAE-SNVBAGLBSA-N	-1	0	291.738	3.233	20	30		CGEDRM
C=CCC[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)C1CC1	ZINC000833372949	605118003	/nfs/dbraw/zinc/11/80/03/605118003.db2.gz	BTNJPQVKGQAQBF-CQSZACIVSA-N	-1	0	274.316	3.286	20	30		CGEDRM
Cc1noc(C)c1C=NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833757513	605157799	/nfs/dbraw/zinc/15/77/99/605157799.db2.gz	DKRBZXCUGQTRAR-UHFFFAOYSA-N	-1	0	293.710	3.089	20	30		CGEDRM
C[C@@H]1C[C@@H](C)CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000783862899	605328831	/nfs/dbraw/zinc/32/88/31/605328831.db2.gz	NVACANQWIYBBMI-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(C)(C#N)CCCOc1cccc(CNC(=O)[O-])c1	ZINC000823737912	605354072	/nfs/dbraw/zinc/35/40/72/605354072.db2.gz	OTRNWVUNCBKAHM-UHFFFAOYSA-N	-1	0	276.336	3.163	20	30		CGEDRM
O=C([O-])N[C@@H]1CCCCCC1N=Nc1ncccc1Cl	ZINC000834186830	606079992	/nfs/dbraw/zinc/07/99/92/606079992.db2.gz	VBEAMFTTYKTQCO-SNVBAGLBSA-N	-1	0	296.758	3.103	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccnc2C)c([O-])c1	ZINC000156612674	618095912	/nfs/dbraw/zinc/09/59/12/618095912.db2.gz	JSKSBDSONVRBCM-VMPITWQZSA-N	-1	0	269.300	3.000	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c(C)s1	ZINC000049501681	617611345	/nfs/dbraw/zinc/61/13/45/617611345.db2.gz	FSWIEFSGNOMPDZ-LLVKDONJSA-N	-1	0	299.417	3.366	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc(F)cc2[O-])cn1	ZINC000255030671	617757017	/nfs/dbraw/zinc/75/70/17/617757017.db2.gz	VGEWBXXXDOPRQZ-UTCJRWHESA-N	-1	0	274.295	3.205	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccc(F)c2)n1	ZINC000255047955	617777869	/nfs/dbraw/zinc/77/78/69/617777869.db2.gz	RVEVJAAMLCULRD-CFHLNLSMSA-N	-1	0	286.331	3.480	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccccc1	ZINC000812406453	617778654	/nfs/dbraw/zinc/77/86/54/617778654.db2.gz	FPMMMBSWYPXNTH-BCRSCGJKSA-N	-1	0	265.740	3.147	20	30		CGEDRM
Cc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])cc(C)c1O	ZINC000255078541	617915282	/nfs/dbraw/zinc/91/52/82/617915282.db2.gz	LCMSQFDRFLWVBN-UTCJRWHESA-N	-1	0	284.311	3.316	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	ZINC000042343830	620788954	/nfs/dbraw/zinc/78/89/54/620788954.db2.gz	FQNOTBHZLCFFQM-NWDGAFQWSA-N	-1	0	287.425	3.311	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccccc1[O-]	ZINC000255585869	618735036	/nfs/dbraw/zinc/73/50/36/618735036.db2.gz	KOPYMNMNXOPWSY-HJWRWDBZSA-N	-1	0	270.332	3.309	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Cl)nc2)cc1	ZINC000179411582	618782846	/nfs/dbraw/zinc/78/28/46/618782846.db2.gz	PVKHYWZUMCRJBJ-XVNBXDOJSA-N	-1	0	287.702	3.329	20	30		CGEDRM
Cn1c2ccccc2nc1[C@H](C#N)C(=O)C=Cc1ccco1	ZINC000255829988	618795167	/nfs/dbraw/zinc/79/51/67/618795167.db2.gz	GDGJJOKQVVSWEA-LJTDUEICSA-N	-1	0	291.310	3.056	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1F	ZINC000255925893	618884920	/nfs/dbraw/zinc/88/49/20/618884920.db2.gz	KSRYDNXBFOSCAV-VURMDHGXSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000783798313	618920100	/nfs/dbraw/zinc/92/01/00/618920100.db2.gz	FMJJIHKDXVGNAW-SFYZADRCSA-N	-1	0	292.330	3.246	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000072595081	625312388	/nfs/dbraw/zinc/31/23/88/625312388.db2.gz	TYPQXFCYGNWIPR-SSDOTTSWSA-N	-1	0	295.813	3.483	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCCc1ccc(C)cc1	ZINC000048518623	619502421	/nfs/dbraw/zinc/50/24/21/619502421.db2.gz	ZKADUZIFMBLWRS-UHFFFAOYSA-N	-1	0	297.420	3.404	20	30		CGEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519405	619504134	/nfs/dbraw/zinc/50/41/34/619504134.db2.gz	SUVBGEDIZXOTER-UHFFFAOYSA-N	-1	0	281.377	3.053	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1ccc(C(=O)[O-])c(F)c1	ZINC000793161076	619700656	/nfs/dbraw/zinc/70/06/56/619700656.db2.gz	ZWXVVJVBFIZENG-SECBINFHSA-N	-1	0	267.300	3.311	20	30		CGEDRM
Cc1cc(C)c(C(=O)/C=C\c2cccnc2)c(O)c1	ZINC000799894789	620309091	/nfs/dbraw/zinc/30/90/91/620309091.db2.gz	FLIYIASNPPBOSJ-WAYWQWQTSA-N	-1	0	253.301	3.300	20	30		CGEDRM
N#C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CC2CCC1CC2	ZINC000901480528	620892493	/nfs/dbraw/zinc/89/24/93/620892493.db2.gz	LRCKUGHPJMBSKY-YUNLISADSA-N	-1	0	298.342	3.043	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)C(=Cc1nc(C(C)C)c[nH]1)O2	ZINC000901458750	620893848	/nfs/dbraw/zinc/89/38/48/620893848.db2.gz	JDOGXNYPUGKPFZ-MLPAPPSSSA-N	-1	0	284.315	3.163	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cncn2C(C)C)c([O-])c1	ZINC000901483965	620908963	/nfs/dbraw/zinc/90/89/63/620908963.db2.gz	YNCGAFPMMPXDEU-ALCCZGGFSA-N	-1	0	270.332	3.374	20	30		CGEDRM
C=CC[C@H](C)[C@@H](C)Nc1cccc(OCC(=O)[O-])c1	ZINC000901577306	620944139	/nfs/dbraw/zinc/94/41/39/620944139.db2.gz	ARMMKVRQLIQVKO-NWDGAFQWSA-N	-1	0	263.337	3.163	20	30		CGEDRM
O=c1[n-]c(N=NC2C[C@H]3CCC[C@@H]3C2)nc2ccccc21	ZINC000905454798	622077406	/nfs/dbraw/zinc/07/74/06/622077406.db2.gz	QEAXZVQOCUPXRF-GHMZBOCLSA-N	-1	0	282.347	3.313	20	30		CGEDRM
CCO[C@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000905485219	622078055	/nfs/dbraw/zinc/07/80/55/622078055.db2.gz	VPOWQTVWLMLKCN-ZDUSSCGKSA-N	-1	0	290.363	3.440	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000907577136	622302320	/nfs/dbraw/zinc/30/23/20/622302320.db2.gz	PNWAMVRHRMYRNA-DZGCQCFKSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21	ZINC000907705025	622308455	/nfs/dbraw/zinc/30/84/55/622308455.db2.gz	SSWPJSQCPCFOLW-CBBWQLFWSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1ccccc1CCC(=O)[O-]	ZINC000908219076	622333964	/nfs/dbraw/zinc/33/39/64/622333964.db2.gz	BARUIUFPFLHVIN-UHFFFAOYSA-N	-1	0	289.375	3.132	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1	ZINC000909318057	622416208	/nfs/dbraw/zinc/41/62/08/622416208.db2.gz	SAEAAAMIGNFWRI-UHFFFAOYSA-N	-1	0	277.295	3.209	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000909838225	622429829	/nfs/dbraw/zinc/42/98/29/622429829.db2.gz	ABFMOJUGZYYSDJ-LLVKDONJSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1	ZINC000910369455	622479581	/nfs/dbraw/zinc/47/95/81/622479581.db2.gz	MEZHYRINWIOANQ-CQSZACIVSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cccc(C)c1Cl)C(=O)[O-]	ZINC000910910907	622508753	/nfs/dbraw/zinc/50/87/53/622508753.db2.gz	AXQAZPPXHDCNCR-GFCCVEGCSA-N	-1	0	295.766	3.188	20	30		CGEDRM
Cc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1F	ZINC000028678221	622551528	/nfs/dbraw/zinc/55/15/28/622551528.db2.gz	RCPVMLSRRDIXSG-RQZCQDPDSA-N	-1	0	288.278	3.367	20	30		CGEDRM
N#Cc1cc(N[C@H]2CCC[C@H]2C(=O)[O-])ccc1C(F)(F)F	ZINC000163863790	622806154	/nfs/dbraw/zinc/80/61/54/622806154.db2.gz	MVMJDDQHVFGTRA-PWSUYJOCSA-N	-1	0	298.264	3.242	20	30		CGEDRM
Cn1nccc1/C=C/C(=O)c1ccc2ccccc2c1[O-]	ZINC000156608258	622826855	/nfs/dbraw/zinc/82/68/55/622826855.db2.gz	VYNJGYSFJXIUHY-VQHVLOKHSA-N	-1	0	278.311	3.175	20	30		CGEDRM
O=C(/C=C/c1cccnc1Cl)c1cc(F)ccc1[O-]	ZINC000156674168	622833575	/nfs/dbraw/zinc/83/35/75/622833575.db2.gz	GBYVHXWHAAMMEZ-HWKANZROSA-N	-1	0	277.682	3.476	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(F)c1	ZINC000170851999	623104232	/nfs/dbraw/zinc/10/42/32/623104232.db2.gz	VJTGRTDHDPKRTE-XVNBXDOJSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000914703472	623847897	/nfs/dbraw/zinc/84/78/97/623847897.db2.gz	RTWGCBRGPCZCGB-MGWVCDIQSA-N	-1	0	262.309	3.298	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000916346863	624148456	/nfs/dbraw/zinc/14/84/56/624148456.db2.gz	YOULUCBJOPZOOH-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
O=C([O-])c1ccccc1N=NCc1c[nH]c2cc(F)ccc12	ZINC000917542630	624280311	/nfs/dbraw/zinc/28/03/11/624280311.db2.gz	JAUUIPKTFSTVAH-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
COc1cccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000033474212	624334856	/nfs/dbraw/zinc/33/48/56/624334856.db2.gz	ZGKKGQRGJXSJFH-ALCCZGGFSA-N	-1	0	299.282	3.205	20	30		CGEDRM
C[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000920178891	624453905	/nfs/dbraw/zinc/45/39/05/624453905.db2.gz	YZBIBAGJADWLFA-IIVQSHCLSA-N	-1	0	282.727	3.419	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1	ZINC000921266204	624577867	/nfs/dbraw/zinc/57/78/67/624577867.db2.gz	KKPUAIZUPBAQRQ-XYOKQWHBSA-N	-1	0	298.269	3.183	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)Cc1cccc(C)c1	ZINC000073837422	626069466	/nfs/dbraw/zinc/06/94/66/626069466.db2.gz	UGKICLXIQWZDNR-UHFFFAOYSA-N	-1	0	283.393	3.012	20	30		CGEDRM
O=C([O-])c1cccc(N=NC[C@@H]2CCOc3ccccc32)c1	ZINC000752157745	626420499	/nfs/dbraw/zinc/42/04/99/626420499.db2.gz	OZPORBJMUGLCSG-ZDUSSCGKSA-N	-1	0	296.326	3.349	20	30		CGEDRM
CCCCCCCCCC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000755511911	626627592	/nfs/dbraw/zinc/62/75/92/626627592.db2.gz	YPUICNYOCVAALO-UHFFFAOYSA-N	-1	0	296.440	3.210	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C)cc1	ZINC000756899278	626739576	/nfs/dbraw/zinc/73/95/76/626739576.db2.gz	UFQXETGBNTYEMX-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1cccs1	ZINC000756899283	626739890	/nfs/dbraw/zinc/73/98/90/626739890.db2.gz	UNSNXNQRLCYOFM-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1cccc(C)c1C	ZINC000756901707	626740360	/nfs/dbraw/zinc/74/03/60/626740360.db2.gz	XFWQNORGIXPGSM-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])s1	ZINC000757476375	626782275	/nfs/dbraw/zinc/78/22/75/626782275.db2.gz	QKYXADFZTMNJRC-ARJAWSKDSA-N	-1	0	291.278	3.500	20	30		CGEDRM
CC(C)Oc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759720688	626918397	/nfs/dbraw/zinc/91/83/97/626918397.db2.gz	SUZKHHFFVKAIOA-UHFFFAOYSA-N	-1	0	296.326	3.303	20	30		CGEDRM
C/C(=C/C(=O)Nc1cc(C#N)ccc1[O-])C(C)(C)C	ZINC000762818608	627125730	/nfs/dbraw/zinc/12/57/30/627125730.db2.gz	OURAHAVAZYHJDO-YFHOEESVSA-N	-1	0	258.321	3.195	20	30		CGEDRM
C=C(Br)COC(=O)c1ccc([O-])c(Cl)c1	ZINC000762831925	627127106	/nfs/dbraw/zinc/12/71/06/627127106.db2.gz	RRDDFXMYHOERHJ-UHFFFAOYSA-N	-1	0	291.528	3.111	20	30		CGEDRM
O=C([O-])c1ccc(NN=C2CCSc3ccccc32)nc1	ZINC000763371133	627154216	/nfs/dbraw/zinc/15/42/16/627154216.db2.gz	ZXQCJNDIDOWVLO-UHFFFAOYSA-N	-1	0	299.355	3.092	20	30		CGEDRM
N#C[C@H](CCc1ccccc1)C(=O)[N-]OCc1ccccc1	ZINC000764126883	627196553	/nfs/dbraw/zinc/19/65/53/627196553.db2.gz	XIAXPELTSKFEOR-KRWDZBQOSA-N	-1	0	294.354	3.007	20	30		CGEDRM
C=C(C)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805309829	627265653	/nfs/dbraw/zinc/26/56/53/627265653.db2.gz	IMOOPQAKDGPGCJ-UHFFFAOYSA-N	-1	0	289.162	3.074	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1	ZINC000765823728	627273639	/nfs/dbraw/zinc/27/36/39/627273639.db2.gz	HVRYAACEQSNLPN-SREVYHEPSA-N	-1	0	288.324	3.351	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1	ZINC000765826887	627274139	/nfs/dbraw/zinc/27/41/39/627274139.db2.gz	URPBMTVXBOMWOZ-AATRIKPKSA-N	-1	0	283.308	3.214	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000766771347	627359543	/nfs/dbraw/zinc/35/95/43/627359543.db2.gz	DEILXTGRXFZNHU-HYXAFXHYSA-N	-1	0	298.298	3.154	20	30		CGEDRM
O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1sccc1[O-]	ZINC000773143400	627862265	/nfs/dbraw/zinc/86/22/65/627862265.db2.gz	SOZQMLJPBBRSBV-RQOWECAXSA-N	-1	0	293.275	3.397	20	30		CGEDRM
Cc1cccc2ncc(C=CC(=O)c3sccc3[O-])n21	ZINC000773151604	627863155	/nfs/dbraw/zinc/86/31/55/627863155.db2.gz	XDUMQBOOQRWMGJ-AATRIKPKSA-N	-1	0	284.340	3.306	20	30		CGEDRM
CCOCCON=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000774433883	627988960	/nfs/dbraw/zinc/98/89/60/627988960.db2.gz	RGEMXGILQRIWDA-UHFFFAOYSA-N	-1	0	278.135	3.086	20	30		CGEDRM
C=C(C)[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(F)c(F)c1	ZINC000774541206	628004396	/nfs/dbraw/zinc/00/43/96/628004396.db2.gz	QUHZONCCRDCPPL-SNVBAGLBSA-N	-1	0	279.208	3.261	20	30		CGEDRM
CC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000782111651	628616440	/nfs/dbraw/zinc/61/64/40/628616440.db2.gz	QOPREOKFJWMBAO-UHFFFAOYSA-N	-1	0	252.701	3.236	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000782322255	628638403	/nfs/dbraw/zinc/63/84/03/628638403.db2.gz	FPSCSGONVMRGFO-RQOWECAXSA-N	-1	0	291.303	3.185	20	30		CGEDRM
CC[C@@H]1CCC[C@@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000783820996	628749579	/nfs/dbraw/zinc/74/95/79/628749579.db2.gz	JGRCXEOKSUJKHE-NXEZZACHSA-N	-1	0	282.775	3.450	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C2CC2)n1	ZINC000784818992	628834261	/nfs/dbraw/zinc/83/42/61/628834261.db2.gz	FTIMOFZBLIOUOJ-JTQLQIEISA-N	-1	0	287.344	3.115	20	30		CGEDRM
CC(C)(C)CC(N=Nc1ccc(C(=O)[O-])cn1)C1CC1	ZINC000787162968	628996593	/nfs/dbraw/zinc/99/65/93/628996593.db2.gz	NFSWAQUDAQGOMY-UHFFFAOYSA-N	-1	0	275.352	3.394	20	30		CGEDRM
O=C([O-])[C@H]1CCC(=NOC2CCCC2)c2ccccc21	ZINC000789036309	629098835	/nfs/dbraw/zinc/09/88/35/629098835.db2.gz	CIIBWCHJTPDPKD-AWEZNQCLSA-N	-1	0	273.332	3.312	20	30		CGEDRM
C[C@]1(CN=Nc2cccc(C(=O)[O-])c2)CCCS1	ZINC000792872033	629389177	/nfs/dbraw/zinc/38/91/77/629389177.db2.gz	KLFOMOOSKOYUPN-CYBMUJFWSA-N	-1	0	264.350	3.068	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000862543918	629397603	/nfs/dbraw/zinc/39/76/03/629397603.db2.gz	QAFINCIWIODZEX-JTQLQIEISA-N	-1	0	265.740	3.084	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@@H]1c1ccc(C)cc1)C(=O)[O-]	ZINC000793055635	629405487	/nfs/dbraw/zinc/40/54/87/629405487.db2.gz	AXFRFSSESZJIQG-ZIAGYGMSSA-N	-1	0	274.364	3.071	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@@H]1c1ccc(C)cc1)C(=O)[O-]	ZINC000793055631	629405563	/nfs/dbraw/zinc/40/55/63/629405563.db2.gz	AXFRFSSESZJIQG-KGLIPLIRSA-N	-1	0	274.364	3.071	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793058369	629406251	/nfs/dbraw/zinc/40/62/51/629406251.db2.gz	TZRQEMWDCYEMLL-WCQYABFASA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793058556	629406504	/nfs/dbraw/zinc/40/65/04/629406504.db2.gz	VPNJAVRKXXXFSW-CHWSQXEVSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@H](C(C)(C)C)CC1)C(=O)[O-]	ZINC000793056879	629406568	/nfs/dbraw/zinc/40/65/68/629406568.db2.gz	YFCWQGWTYIDYQG-WCQYABFASA-N	-1	0	268.401	3.422	20	30		CGEDRM
CC[C@@H](NN=C(C)CCC1CCCCC1)C(=O)[O-]	ZINC000793073289	629408182	/nfs/dbraw/zinc/40/81/82/629408182.db2.gz	RLGCNCHVJZPXKH-CYBMUJFWSA-N	-1	0	254.374	3.176	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc(OC(C)(C)C)cc1)C(=O)[O-]	ZINC000793077180	629408121	/nfs/dbraw/zinc/40/81/21/629408121.db2.gz	BFVWLPFMRGLAHX-CQSZACIVSA-N	-1	0	292.379	3.041	20	30		CGEDRM
CC[C@@H](NN=C1C[C@H](c2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793073999	629408144	/nfs/dbraw/zinc/40/81/44/629408144.db2.gz	ZCBMQAZPQPRVQB-CHWSQXEVSA-N	-1	0	274.364	3.009	20	30		CGEDRM
CCc1c2ccccc2oc1C(C)=NN[C@H](CC)C(=O)[O-]	ZINC000793079814	629408875	/nfs/dbraw/zinc/40/88/75/629408875.db2.gz	UFFUUEZKOUMVKF-CYBMUJFWSA-N	-1	0	288.347	3.172	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\COc3cc(F)ccc3C2=O)c1	ZINC000794726695	629573282	/nfs/dbraw/zinc/57/32/82/629573282.db2.gz	DLSSCDZIPISAAV-KPKJPENVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2n[nH]cc2c1	ZINC000794854099	629588601	/nfs/dbraw/zinc/58/86/01/629588601.db2.gz	AZZADIXJOITMKS-UHFFFAOYSA-N	-1	0	294.314	3.097	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](CCCC)C(C)C)C(=O)[O-]	ZINC000864186812	629796087	/nfs/dbraw/zinc/79/60/87/629796087.db2.gz	XYTTVBMMLGUPPE-VXGBXAGGSA-N	-1	0	289.803	3.161	20	30		CGEDRM
CCOc1ccccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000205181333	630002873	/nfs/dbraw/zinc/00/28/73/630002873.db2.gz	SLYHSIORJYMVSR-YFHOEESVSA-N	-1	0	284.311	3.393	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CCC(F)(F)C2)c1	ZINC000797959389	630008678	/nfs/dbraw/zinc/00/86/78/630008678.db2.gz	MGVDWLWTFPBWHT-SECBINFHSA-N	-1	0	280.274	3.028	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000799498543	630191932	/nfs/dbraw/zinc/19/19/32/630191932.db2.gz	AIQBEQJDPJOPKR-WAYWQWQTSA-N	-1	0	283.308	3.214	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)oc1C	ZINC000799896886	630240813	/nfs/dbraw/zinc/24/08/13/630240813.db2.gz	ZVCODXMFVAXUPQ-YVMONPNESA-N	-1	0	270.284	3.491	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)nc2C)n1	ZINC000802032874	630374873	/nfs/dbraw/zinc/37/48/73/630374873.db2.gz	WRMUIGBOPRPXRH-SNVBAGLBSA-N	-1	0	291.763	3.298	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccnc2Cl)c1	ZINC000806558955	630566745	/nfs/dbraw/zinc/56/67/45/630566745.db2.gz	QJRLQBFBJJEEGM-SREVYHEPSA-N	-1	0	287.702	3.329	20	30		CGEDRM
Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc(F)c1C#N)O2	ZINC000811688594	631109768	/nfs/dbraw/zinc/10/97/68/631109768.db2.gz	PWJYEBBMNIOBMM-GIDUJCDVSA-N	-1	0	295.269	3.328	20	30		CGEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])cc(C)c1O	ZINC000812445565	631261103	/nfs/dbraw/zinc/26/11/03/631261103.db2.gz	ZWFDWFOKSFLHIK-UHFFFAOYSA-N	-1	0	284.315	3.153	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cccc3cc[nH]c32)cc1	ZINC000814680521	631620500	/nfs/dbraw/zinc/62/05/00/631620500.db2.gz	UUSKJASVYUBRAT-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccccn1	ZINC000814731778	631631174	/nfs/dbraw/zinc/63/11/74/631631174.db2.gz	JGVIGXIXLDUVJK-UHFFFAOYSA-N	-1	0	263.341	3.295	20	30		CGEDRM
COCC(Cc1ccccc1)N=Nc1ccccc1C(=O)[O-]	ZINC000814768249	631635783	/nfs/dbraw/zinc/63/57/83/631635783.db2.gz	OIPSHTFPYWWSSV-UHFFFAOYSA-N	-1	0	298.342	3.042	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NOCc1ccccc1	ZINC000814791453	631639739	/nfs/dbraw/zinc/63/97/39/631639739.db2.gz	DOUIIXNTRVDEPI-UHFFFAOYSA-N	-1	0	261.321	3.224	20	30		CGEDRM
Cc1ccnc(NN=Cc2cccc(C(=O)[O-])c2Cl)c1	ZINC000814867354	631658500	/nfs/dbraw/zinc/65/85/00/631658500.db2.gz	AFFGGSMXHQLTEN-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
C[C@@H]1CC(=NNCc2ccc(Cl)cc2)CC[C@@H]1C(=O)[O-]	ZINC000814873234	631661124	/nfs/dbraw/zinc/66/11/24/631661124.db2.gz	SCLWVRKMMBVGSO-YGRLFVJLSA-N	-1	0	294.782	3.306	20	30		CGEDRM
O=C([O-])c1cccc(C=NNC2CCCCC2)c1Cl	ZINC000814910325	631677786	/nfs/dbraw/zinc/67/77/86/631677786.db2.gz	TWRQZSOOHUDFBS-UHFFFAOYSA-N	-1	0	280.755	3.294	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H]1CCCC1(C)C	ZINC000814917646	631680878	/nfs/dbraw/zinc/68/08/78/631680878.db2.gz	NQKVKSHRZCGETP-GFCCVEGCSA-N	-1	0	266.385	3.176	20	30		CGEDRM
CC[C@H](C)CON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814939372	631692879	/nfs/dbraw/zinc/69/28/79/631692879.db2.gz	OBVZMPZTDXSPSP-NSHDSACASA-N	-1	0	275.348	3.292	20	30		CGEDRM
O=C([O-])CNN=Cc1c2ccccc2cc2ccccc21	ZINC000814958449	631698211	/nfs/dbraw/zinc/69/82/11/631698211.db2.gz	TXMGJLKPZBCWEG-UHFFFAOYSA-N	-1	0	278.311	3.001	20	30		CGEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccncn1	ZINC000816018889	631860096	/nfs/dbraw/zinc/86/00/96/631860096.db2.gz	SMJZMRZZNLFMNA-YFBAIUBQSA-N	-1	0	273.311	3.087	20	30		CGEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccncn1	ZINC000816018887	631860116	/nfs/dbraw/zinc/86/01/16/631860116.db2.gz	SMJZMRZZNLFMNA-OEMOTLHWSA-N	-1	0	273.311	3.087	20	30		CGEDRM
C[C@H](C#N)CN(Cc1cc(Cl)c(F)cc1[O-])C1CC1	ZINC000816519327	632003032	/nfs/dbraw/zinc/00/30/32/632003032.db2.gz	GOFKUKKCVATALU-SECBINFHSA-N	-1	0	282.746	3.309	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC12CC2	ZINC000817713402	632205077	/nfs/dbraw/zinc/20/50/77/632205077.db2.gz	CTMMLAZQCJCDFS-QWHCGFSZSA-N	-1	0	292.338	3.168	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C(F)=C2CCC2)n1	ZINC000819937982	632540667	/nfs/dbraw/zinc/54/06/67/632540667.db2.gz	OCMJTIOMBKUUBX-SECBINFHSA-N	-1	0	250.298	3.035	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCC1	ZINC000828061447	633554991	/nfs/dbraw/zinc/55/49/91/633554991.db2.gz	CDKZVTOASNIFNZ-UHFFFAOYSA-N	-1	0	285.343	3.020	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)Nc1cc(C)ccc1C)C(=O)[O-]	ZINC000872323757	634108359	/nfs/dbraw/zinc/10/83/59/634108359.db2.gz	WGPCXGKWYDTDRT-LBPRGKRZSA-N	-1	0	296.754	3.021	20	30		CGEDRM
CSC1(CN=Nc2ccc(C(=O)[O-])cc2F)CCC1	ZINC000835008813	634313681	/nfs/dbraw/zinc/31/36/81/634313681.db2.gz	OSIUKRWCELRSHI-UHFFFAOYSA-N	-1	0	282.340	3.207	20	30		CGEDRM
COCC1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000835009440	634314167	/nfs/dbraw/zinc/31/41/67/634314167.db2.gz	SZAMVFGGYMUQRA-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
O=C([O-])c1ccc(N=NCC2CCCC2)cc1F	ZINC000835009846	634314212	/nfs/dbraw/zinc/31/42/12/634314212.db2.gz	FOEWRAYGUOCCDA-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(C)(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)CS1	ZINC000835009976	634314675	/nfs/dbraw/zinc/31/46/75/634314675.db2.gz	JXNDATJLKLDBBW-LBPRGKRZSA-N	-1	0	293.392	3.099	20	30		CGEDRM
COCC(N=Nc1ccc(C(=O)[O-])cc1F)C1CCCC1	ZINC000835011685	634316297	/nfs/dbraw/zinc/31/62/97/634316297.db2.gz	IMHMDQNOXYOAOP-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)[C@@H]1C[C@@H]1C	ZINC000841632414	635202913	/nfs/dbraw/zinc/20/29/13/635202913.db2.gz	NYTIMZPVKOUALA-GXSJLCMTSA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=C([O-])CNN=C1CCC[C@H](c2ccc(Cl)cc2)C1	ZINC000841641611	635206594	/nfs/dbraw/zinc/20/65/94/635206594.db2.gz	XZGUYSQBXXHUIN-NSHDSACASA-N	-1	0	280.755	3.028	20	30		CGEDRM
C=C[C@H](C)ONC(=O)Nc1ncc(C(C)(C)C)s1	ZINC000844548106	635927821	/nfs/dbraw/zinc/92/78/21/635927821.db2.gz	VSYODSXWGYMIFX-QMMMGPOBSA-N	-1	0	269.370	3.068	20	30		CGEDRM
COC1CCC(N=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000844624638	635945609	/nfs/dbraw/zinc/94/56/09/635945609.db2.gz	RXODWOWOXTUIDL-UHFFFAOYSA-N	-1	0	276.336	3.050	20	30		CGEDRM
CCCCCCCCCS(=O)(=O)[N-]c1ncc(C)o1	ZINC000844825061	635971906	/nfs/dbraw/zinc/97/19/06/635971906.db2.gz	GTOGULCJJDSCDY-UHFFFAOYSA-N	-1	0	288.413	3.475	20	30		CGEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1	ZINC000024346957	636073388	/nfs/dbraw/zinc/07/33/88/636073388.db2.gz	ILFQELGFXMYWTQ-UHFFFAOYSA-N	-1	0	291.397	3.147	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)co1	ZINC000845844159	636106521	/nfs/dbraw/zinc/10/65/21/636106521.db2.gz	GQPBWLOKPMQVMY-HNNXBMFYSA-N	-1	0	293.322	3.211	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c1	ZINC000845886219	636114274	/nfs/dbraw/zinc/11/42/74/636114274.db2.gz	DGTPUNLXIQGJOS-OLZOCXBDSA-N	-1	0	270.332	3.029	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000846541198	636196515	/nfs/dbraw/zinc/19/65/15/636196515.db2.gz	DZPBDUKJMQVPKY-VHSXEESVSA-N	-1	0	285.796	3.443	20	30		CGEDRM
N#CC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCCC1	ZINC000883177371	636567544	/nfs/dbraw/zinc/56/75/44/636567544.db2.gz	YXXMPIAVDDWZHF-UHFFFAOYSA-N	-1	0	280.318	3.234	20	30		CGEDRM
C=CC[C@H]1CCCN(c2c3ccccc3nnc2C(=O)[O-])C1	ZINC000849348435	636817979	/nfs/dbraw/zinc/81/79/79/636817979.db2.gz	OHQNOLXHRGEWQK-LBPRGKRZSA-N	-1	0	297.358	3.121	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)s1	ZINC000134497433	637024093	/nfs/dbraw/zinc/02/40/93/637024093.db2.gz	XQHUMFJKICEQDS-HNQUOIGGSA-N	-1	0	291.278	3.500	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000853280431	637800335	/nfs/dbraw/zinc/80/03/35/637800335.db2.gz	KASUJIKQVCLHEV-UTUOFQBUSA-N	-1	0	258.321	3.219	20	30		CGEDRM
CC(=NOCC1CCC1)c1cc(F)cc(F)c1[O-]	ZINC000853439248	637843002	/nfs/dbraw/zinc/84/30/02/637843002.db2.gz	GBPAXCDEKURBOW-UHFFFAOYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
C=CCCO[N-]C(=O)CSCc1ccc(Cl)cc1	ZINC000856028935	638286361	/nfs/dbraw/zinc/28/63/61/638286361.db2.gz	SCVJDJVWEWPXHB-UHFFFAOYSA-N	-1	0	285.796	3.197	20	30		CGEDRM
COc1cccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000036313501	639313611	/nfs/dbraw/zinc/31/36/11/639313611.db2.gz	ZGKKGQRGJXSJFH-FNORWQNLSA-N	-1	0	299.282	3.205	20	30		CGEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250698	639914204	/nfs/dbraw/zinc/91/42/04/639914204.db2.gz	IEDZATFKLJYSAE-UHFFFAOYSA-N	-1	0	299.367	3.441	20	30		CGEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)s1	ZINC000048405247	640051538	/nfs/dbraw/zinc/05/15/38/640051538.db2.gz	FSXIRZJPLKAKRI-UHFFFAOYSA-N	-1	0	295.385	3.004	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(Cl)c2F)c1	ZINC000159864348	640074884	/nfs/dbraw/zinc/07/48/84/640074884.db2.gz	XNUUGBOYQLHGOO-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1	ZINC000077940474	640273038	/nfs/dbraw/zinc/27/30/38/640273038.db2.gz	BQODLJRKZFYEFQ-UHFFFAOYSA-N	-1	0	293.388	3.251	20	30		CGEDRM
CC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1nccs1	ZINC000078022737	640279382	/nfs/dbraw/zinc/27/93/82/640279382.db2.gz	FYGOIOARRFJIAP-OXFWXOROSA-N	-1	0	291.332	3.327	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)CCSc1ccccc1	ZINC000089978889	640665612	/nfs/dbraw/zinc/66/56/12/640665612.db2.gz	CCGKKBXOULJUJC-JYOAFUTRSA-N	-1	0	299.417	3.031	20	30		CGEDRM
COc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254625632	640913715	/nfs/dbraw/zinc/91/37/15/640913715.db2.gz	ZJADZPSMLKKNRK-UHFFFAOYSA-N	-1	0	272.260	3.060	20	30		CGEDRM
C=C(Cl)COc1ccc(C(=O)[O-])cc1Br	ZINC001588643963	963298665	/nfs/dbraw/zinc/29/86/65/963298665.db2.gz	ZTOOSPFDSCAFHJ-UHFFFAOYSA-N	-1	0	291.528	3.279	20	30		CGEDRM
Cc1cc(-c2ccc(F)c(C#N)c2)ccc1C(=O)[O-]	ZINC001250636949	805742337	/nfs/dbraw/zinc/74/23/37/805742337.db2.gz	XPHWVZADQSTQJR-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc(Nc2ccc(O)c(C#N)c2)ccc1C(=O)[O-]	ZINC001211658251	814927406	/nfs/dbraw/zinc/92/74/06/814927406.db2.gz	FPZPTFKNYSQLFL-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(C)c2)c1	ZINC001211660859	814928369	/nfs/dbraw/zinc/92/83/69/814928369.db2.gz	PIGQMOYDXHMMDS-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C=C[C@@](C)(O)CNc1ccc(Br)cc1[S-]	ZINC001252566904	806069902	/nfs/dbraw/zinc/06/99/02/806069902.db2.gz	OLYGMLXYGARVIP-LLVKDONJSA-N	-1	0	288.210	3.087	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1	ZINC001161889337	806479783	/nfs/dbraw/zinc/47/97/83/806479783.db2.gz	BPUXIWRBJSZOCQ-UHFFFAOYSA-N	-1	0	289.693	3.418	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c(C)c1	ZINC000046929981	798891360	/nfs/dbraw/zinc/89/13/60/798891360.db2.gz	PRHRJKIQMPKBGF-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
N#CCc1ccc(Nc2cccc(C(=O)[O-])c2)cc1	ZINC000082715689	798937200	/nfs/dbraw/zinc/93/72/00/798937200.db2.gz	SNWUPUZPOHBPOH-UHFFFAOYSA-N	-1	0	252.273	3.194	20	30		CGEDRM
N#Cc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC000084606492	798941371	/nfs/dbraw/zinc/94/13/71/798941371.db2.gz	TWTKLQAIKAJKOB-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccco1	ZINC000125394500	799001136	/nfs/dbraw/zinc/00/11/36/799001136.db2.gz	SUFKQYXNBLPKMG-GFCCVEGCSA-N	-1	0	292.294	3.275	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3ncsc3c2)c1	ZINC000176391911	799095180	/nfs/dbraw/zinc/09/51/80/799095180.db2.gz	JFTQTBRWNAZSJM-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1cccc(Cl)c1C)C(=O)[O-]	ZINC000316526399	799242470	/nfs/dbraw/zinc/24/24/70/799242470.db2.gz	VUVHPACSWGSRDW-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=CCCCCCCN=c1[n-]c([C@H](C)OC)ns1	ZINC000380698661	799366087	/nfs/dbraw/zinc/36/60/87/799366087.db2.gz	WNQMLLPSMUREBT-NSHDSACASA-N	-1	0	269.414	3.216	20	30		CGEDRM
O=C(C=Cc1ccc2c(c1)CCO2)c1sccc1[O-]	ZINC000588495774	799702230	/nfs/dbraw/zinc/70/22/30/799702230.db2.gz	VKIWUYGYUAXZLX-IWQZZHSRSA-N	-1	0	272.325	3.285	20	30		CGEDRM
C/C(=C/C(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000588505726	799703665	/nfs/dbraw/zinc/70/36/65/799703665.db2.gz	VCDYJXVEEAZULC-NTMALXAHSA-N	-1	0	258.321	3.195	20	30		CGEDRM
CCCCCCCC(=O)N[C@@](C)(CC(=O)[O-])C1CC1	ZINC000687069833	799735975	/nfs/dbraw/zinc/73/59/75/799735975.db2.gz	LVAIURKYIHYKRT-HNNXBMFYSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCC(=O)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)cc1	ZINC001122641096	802877443	/nfs/dbraw/zinc/87/74/43/802877443.db2.gz	WKGYHNHXUVEGIJ-ZDUSSCGKSA-N	-1	0	296.301	3.303	20	30		CGEDRM
N#Cc1cc(-c2c([O-])cccc2Cl)nc(C2CC2)n1	ZINC001244032988	803151737	/nfs/dbraw/zinc/15/17/37/803151737.db2.gz	HQEVCWYKLWMWAB-UHFFFAOYSA-N	-1	0	271.707	3.252	20	30		CGEDRM
N#Cc1cc2c(nc1-c1c([O-])cccc1Cl)CCC2	ZINC001244036074	803154554	/nfs/dbraw/zinc/15/45/54/803154554.db2.gz	IFXLLCGXXFLRGP-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)c([O-])c(F)c2)c(C#N)c1	ZINC001244098061	803186920	/nfs/dbraw/zinc/18/69/20/803186920.db2.gz	VUWTZSOPIURHQI-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2nc(C)c(C)c(C)c2C#N)c1	ZINC001244171616	803222781	/nfs/dbraw/zinc/22/27/81/803222781.db2.gz	AGZPIGXBSUQVMO-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc3[nH]cc(C#N)c3c2)c1	ZINC001244175563	803225798	/nfs/dbraw/zinc/22/57/98/803225798.db2.gz	DNIPLEMTMCURLJ-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1nc(C)ccc1CC#N	ZINC001244418290	803360859	/nfs/dbraw/zinc/36/08/59/803360859.db2.gz	MUBQAQXCXZBONE-UHFFFAOYSA-N	-1	0	296.326	3.220	20	30		CGEDRM
Cc1cc(-c2cc(C#N)cc(C#N)c2)cc([O-])c1F	ZINC001244521332	803415730	/nfs/dbraw/zinc/41/57/30/803415730.db2.gz	RQIPLDDARDOYGI-UHFFFAOYSA-N	-1	0	252.248	3.250	20	30		CGEDRM
Cc1cc(-c2cc(F)cnc2C#N)cc(Cl)c1[O-]	ZINC001244537213	803424104	/nfs/dbraw/zinc/42/41/04/803424104.db2.gz	JPADREQZYTWNMD-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)nc1C#N	ZINC001244610789	803464190	/nfs/dbraw/zinc/46/41/90/803464190.db2.gz	REHITQCRXYQHOM-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#CCc1cccc(-c2ccc(Cl)c([O-])c2F)n1	ZINC001244628782	803472089	/nfs/dbraw/zinc/47/20/89/803472089.db2.gz	CGWFEQJNRMXYAG-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1ncc(-c2ccc(Cl)c([O-])c2F)cc1F	ZINC001244629924	803472909	/nfs/dbraw/zinc/47/29/09/803472909.db2.gz	JZCRPYJYKPPRHJ-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2C)c(C#N)c1	ZINC001245300227	803694632	/nfs/dbraw/zinc/69/46/32/803694632.db2.gz	JWBXIWPEYGYFLM-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1ccc(-c2ccc(C(=O)[O-])cc2Cl)nc1C#N	ZINC001245371749	803717077	/nfs/dbraw/zinc/71/70/77/803717077.db2.gz	AVMHABNLNANLBS-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])cc2Cl)c(F)c1	ZINC001245373311	803718419	/nfs/dbraw/zinc/71/84/19/803718419.db2.gz	YDGOPGBANCLRIT-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1cccnc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211958309	814960737	/nfs/dbraw/zinc/96/07/37/814960737.db2.gz	KHTJEECVDYILED-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#CC1(c2ccc(-c3c([O-])cccc3F)nc2)CC1	ZINC001245655861	803887591	/nfs/dbraw/zinc/88/75/91/803887591.db2.gz	ZOTKLUUOKJDXJV-UHFFFAOYSA-N	-1	0	254.264	3.148	20	30		CGEDRM
CCCCCCCCCCCc1cc(=O)n(C(=O)CO)[n-]1	ZINC001245920095	804048621	/nfs/dbraw/zinc/04/86/21/804048621.db2.gz	IJHSMQLZPCHPDN-UHFFFAOYSA-N	-1	0	296.411	3.295	20	30		CGEDRM
N#Cc1ccc(C(=O)n2[n-]c(C3CCCCC3)cc2=O)cc1	ZINC001245935682	804066092	/nfs/dbraw/zinc/06/60/92/804066092.db2.gz	IYJZIPFZWVQHFL-UHFFFAOYSA-N	-1	0	295.342	3.197	20	30		CGEDRM
C[C@]1(C(=O)Nc2cc(C#N)c(F)cc2[O-])CC=CCC1	ZINC001142545440	804736091	/nfs/dbraw/zinc/73/60/91/804736091.db2.gz	CAHGSPISDKWXLR-HNNXBMFYSA-N	-1	0	274.295	3.088	20	30		CGEDRM
Cc1scc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1C	ZINC001147521156	805135947	/nfs/dbraw/zinc/13/59/47/805135947.db2.gz	BOQOSJFFTVSABT-UHFFFAOYSA-N	-1	0	290.319	3.334	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccnc(Cl)c2[O-])c1	ZINC001249899673	805289210	/nfs/dbraw/zinc/28/92/10/805289210.db2.gz	UYUZWVYPHVWLOS-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1ccncc1Nc1c(F)ccc([O-])c1Cl	ZINC001250228611	805504310	/nfs/dbraw/zinc/50/43/10/805504310.db2.gz	GNJUQQSYAIZJNM-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
CCCOc1c(F)cc(F)c([N-]c2oncc2C#N)c1F	ZINC001212647373	815093921	/nfs/dbraw/zinc/09/39/21/815093921.db2.gz	YHSBBGNJDAXSMK-UHFFFAOYSA-N	-1	0	297.236	3.496	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)C2CCCCC2)s1	ZINC001259809358	807687881	/nfs/dbraw/zinc/68/78/81/807687881.db2.gz	YKQNXJBSKDZNMT-UHFFFAOYSA-N	-1	0	284.406	3.003	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)c2cc3cccc(F)c3o2)c1	ZINC001171255492	808017016	/nfs/dbraw/zinc/01/70/16/808017016.db2.gz	NPYBGAWHKCTIDS-UHFFFAOYSA-N	-1	0	296.257	3.167	20	30		CGEDRM
COc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173840166	808702944	/nfs/dbraw/zinc/70/29/44/808702944.db2.gz	SWNNYUVAKQHWMB-UHFFFAOYSA-N	-1	0	258.252	3.155	20	30		CGEDRM
COc1cccc(Nc2scc([O-])c2C#N)c1OC	ZINC001174014675	808823278	/nfs/dbraw/zinc/82/32/78/808823278.db2.gz	BEPVBEMUMPGMSP-UHFFFAOYSA-N	-1	0	276.317	3.086	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])s1	ZINC001174808916	809168419	/nfs/dbraw/zinc/16/84/19/809168419.db2.gz	ACCHFYZVSCUCKQ-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174812287	809169863	/nfs/dbraw/zinc/16/98/63/809169863.db2.gz	GBKMBHLFMFGFMI-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cc(C(=O)[O-])ccc2C)c1	ZINC001174981600	809224852	/nfs/dbraw/zinc/22/48/52/809224852.db2.gz	ODLLNLQZTSQBCW-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1ncc(Nc2ccc(F)c(C(=O)[O-])c2)cc1Cl	ZINC001175217189	809311745	/nfs/dbraw/zinc/31/17/45/809311745.db2.gz	PXSUXBWPRLZKDM-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1c(F)ccc([O-])c1F	ZINC001175268530	809333254	/nfs/dbraw/zinc/33/32/54/809333254.db2.gz	SISWEFAECGEECK-UHFFFAOYSA-N	-1	0	285.253	3.466	20	30		CGEDRM
N#Cc1nc2ccc(Nc3cncc(C(=O)[O-])c3)cc2s1	ZINC001175843406	809555292	/nfs/dbraw/zinc/55/52/92/809555292.db2.gz	MWIDPGICQYKHNW-UHFFFAOYSA-N	-1	0	296.311	3.005	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1csc(C(=O)[O-])c1	ZINC001176439196	809698363	/nfs/dbraw/zinc/69/83/63/809698363.db2.gz	PDBTYZJXVPAJEE-UHFFFAOYSA-N	-1	0	283.312	3.242	20	30		CGEDRM
N#CCc1cccc(Nc2csc(C(=O)[O-])c2)c1	ZINC001176440049	809698663	/nfs/dbraw/zinc/69/86/63/809698663.db2.gz	FTONAIGYSGXTJQ-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176583962	809723584	/nfs/dbraw/zinc/72/35/84/809723584.db2.gz	AWFZCFWADXEOJA-UHFFFAOYSA-N	-1	0	284.340	3.480	20	30		CGEDRM
Cc1cnc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001176594013	809726672	/nfs/dbraw/zinc/72/66/72/809726672.db2.gz	LALCDJNDKWUWDM-QPJJXVBHSA-N	-1	0	279.299	3.103	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176670863	809740260	/nfs/dbraw/zinc/74/02/60/809740260.db2.gz	OBORONWMRRVXSC-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1F	ZINC001176713965	809747886	/nfs/dbraw/zinc/74/78/86/809747886.db2.gz	ZMQTWVKTJXFRRV-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2)c(F)c1F	ZINC001176714508	809748836	/nfs/dbraw/zinc/74/88/36/809748836.db2.gz	FDMFHBBCTAAIST-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(NC(=O)[C@H]2CC23CCCCC3)c([O-])cc1F	ZINC001181909206	810083779	/nfs/dbraw/zinc/08/37/79/810083779.db2.gz	SUVVCLIJKXJLEA-LLVKDONJSA-N	-1	0	288.322	3.312	20	30		CGEDRM
N#CCN(Cc1ccccc1)C(=O)Cc1ccc([S-])cc1	ZINC001183190329	810139452	/nfs/dbraw/zinc/13/94/52/810139452.db2.gz	FBNVENHWMJRTMO-UHFFFAOYSA-N	-1	0	296.395	3.070	20	30		CGEDRM
C[C@H]1C[C@@H](NC(=O)CCC(=O)C2=CC=C[CH]2)CC(C)(C)C1	ZINC001184246259	810185167	/nfs/dbraw/zinc/18/51/67/810185167.db2.gz	NEGOAOLHMCFNQN-DZGCQCFKSA-N	-1	0	288.411	3.367	20	30		CGEDRM
N#Cc1sccc1NC(=O)c1cccc([S-])c1	ZINC001186130720	810315808	/nfs/dbraw/zinc/31/58/08/810315808.db2.gz	XRYUSISDWCIWQP-UHFFFAOYSA-N	-1	0	260.343	3.161	20	30		CGEDRM
Cc1c(F)cccc1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001189050697	810539368	/nfs/dbraw/zinc/53/93/68/810539368.db2.gz	BHZLCHIALWCREE-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
CC(C)c1ccccc1C(=O)N(O)C(=N)c1ccccc1N	ZINC001190264911	810616122	/nfs/dbraw/zinc/61/61/22/810616122.db2.gz	JFQJIEITNRTSRT-UHFFFAOYSA-N	-1	0	297.358	3.249	20	30		CGEDRM
N#Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1[O-]	ZINC001193494906	810896743	/nfs/dbraw/zinc/89/67/43/810896743.db2.gz	QPCITPWKFTUEPY-MRXNPFEDSA-N	-1	0	292.338	3.071	20	30		CGEDRM
Cc1[n-]sc(=NC(=O)OC2CCCCC2)c1C#N	ZINC001193596506	810915865	/nfs/dbraw/zinc/91/58/65/810915865.db2.gz	OWSLHESQRDKNSL-UHFFFAOYSA-N	-1	0	265.338	3.204	20	30		CGEDRM
N#Cc1ccncc1Nc1c(Cl)ccc([O-])c1F	ZINC001214555911	815423210	/nfs/dbraw/zinc/42/32/10/815423210.db2.gz	AGKGMTJYGBVCQK-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cn1c(NC(=O)c2ccc(C#N)cc2[O-])cc2ccccc21	ZINC001195740827	811283042	/nfs/dbraw/zinc/28/30/42/811283042.db2.gz	LSWYBJOCNOBMGH-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
C=CCNC(=S)[N-]c1c(SC)cc(C)nc1SC	ZINC001200274356	811664461	/nfs/dbraw/zinc/66/44/61/811664461.db2.gz	KWORRCUMFSOFPN-UHFFFAOYSA-N	-1	0	299.490	3.306	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215274464	815501570	/nfs/dbraw/zinc/50/15/70/815501570.db2.gz	ZLXSKPBMZBLMNG-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)ccc1F	ZINC001215463779	815521618	/nfs/dbraw/zinc/52/16/18/815521618.db2.gz	ONEGBEQFHOFKJJ-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cc(Nc2c(F)cc(C(=O)[O-])cc2F)cs1	ZINC001215613171	815547206	/nfs/dbraw/zinc/54/72/06/815547206.db2.gz	LNYFNPMOKMAUGT-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1cc2cc(Nc3scc([O-])c3C#N)cnc2[nH]1	ZINC001204903447	812768980	/nfs/dbraw/zinc/76/89/80/812768980.db2.gz	BBHJJORJJKSKPA-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
N#Cc1cc2cc(-c3ccsc3C(=O)[O-])ccc2[nH]1	ZINC001205579558	813011206	/nfs/dbraw/zinc/01/12/06/813011206.db2.gz	PCHZFHFPVVPBLW-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cc(F)c(F)c(C(=O)[O-])c3)c1-2	ZINC001206017029	813166134	/nfs/dbraw/zinc/16/61/34/813166134.db2.gz	MVDYZXWYMYDCMV-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)cc(F)c1F	ZINC001206389967	813311014	/nfs/dbraw/zinc/31/10/14/813311014.db2.gz	ZZVRXTFILGRWDD-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
N#Cc1cc(Nc2c(Cl)ccc([O-])c2Cl)ccn1	ZINC001206627179	813378411	/nfs/dbraw/zinc/37/84/11/813378411.db2.gz	SFPHLJLHMASUCA-UHFFFAOYSA-N	-1	0	280.114	3.131	20	30		CGEDRM
N#Cc1cc(F)c(Nc2cc(F)cc(C(=O)[O-])c2)c(F)c1	ZINC001209889025	814189753	/nfs/dbraw/zinc/18/97/53/814189753.db2.gz	JWLALQWSQCFIMN-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)c(F)c2)cc1C(=O)[O-]	ZINC001209903817	814195333	/nfs/dbraw/zinc/19/53/33/814195333.db2.gz	UHMYMMWHADQFKM-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(OCC2CC2)nc1	ZINC001210011520	814241687	/nfs/dbraw/zinc/24/16/87/814241687.db2.gz	KFBFUNAZCYMSMG-UHFFFAOYSA-N	-1	0	287.344	3.253	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210073314	814274554	/nfs/dbraw/zinc/27/45/54/814274554.db2.gz	LTDIMHOIEPSRLX-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
Cc1cc2n[nH]cc2cc1Nc1scc([O-])c1C#N	ZINC001210102189	814287971	/nfs/dbraw/zinc/28/79/71/814287971.db2.gz	MSUXVCAIYRAFFI-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
CC(C)(C#N)c1cccc(Nc2ccc(C(=O)[O-])nc2)c1	ZINC001210176629	814321618	/nfs/dbraw/zinc/32/16/18/814321618.db2.gz	XXSLTEHQWRAWGQ-UHFFFAOYSA-N	-1	0	281.315	3.325	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(F)cc1C#N	ZINC001210258860	814370208	/nfs/dbraw/zinc/37/02/08/814370208.db2.gz	LTNICNKWKCDMGV-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1F	ZINC001210400124	814446099	/nfs/dbraw/zinc/44/60/99/814446099.db2.gz	BJZOTHBXXWVOCO-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
COc1cc(C#N)c(Nc2ccccc2C(=O)[O-])cc1OC	ZINC001210967378	814694314	/nfs/dbraw/zinc/69/43/14/814694314.db2.gz	DRIDIMSKGGYDJK-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1c(Nc2oc(C)c(C)c2C#N)cccc1C(=O)[O-]	ZINC001211032829	814713231	/nfs/dbraw/zinc/71/32/31/814713231.db2.gz	BUZQMXLNYDQBEL-UHFFFAOYSA-N	-1	0	286.287	3.219	20	30		CGEDRM
Cc1cc(Nc2ccc(O)cc2C#N)cc(C(=O)[O-])c1	ZINC001211547621	814905960	/nfs/dbraw/zinc/90/59/60/814905960.db2.gz	UZKDNAWZWYYYOP-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1ccc(Nc2cc(Cl)cnc2C#N)cc1C(=O)[O-]	ZINC001211599603	814915232	/nfs/dbraw/zinc/91/52/32/814915232.db2.gz	PTFAXUNLNBGPBT-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3ccc(F)cc3F)no2)c1[O-]	ZINC001216978614	815903826	/nfs/dbraw/zinc/90/38/26/815903826.db2.gz	CUQBJIHIZNGWAA-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccccc2C(=O)[O-])n1	ZINC001242877111	823161477	/nfs/dbraw/zinc/16/14/77/823161477.db2.gz	SAKZXZKHYMEYFW-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccccc1C(=O)[O-])CCCC2	ZINC001242878914	823162551	/nfs/dbraw/zinc/16/25/51/823162551.db2.gz	MYMPIFUXXJORRI-UHFFFAOYSA-N	-1	0	278.311	3.197	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1-c1cccc(S(=O)(=O)[O-])c1	ZINC001222663447	816493948	/nfs/dbraw/zinc/49/39/48/816493948.db2.gz	VLCUNIJXCGOYCB-UHFFFAOYSA-N	-1	0	287.340	3.089	20	30		CGEDRM
N#C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1	ZINC001225493114	817073452	/nfs/dbraw/zinc/07/34/52/817073452.db2.gz	BGNJWYFVWHILAZ-AWEZNQCLSA-N	-1	0	288.234	3.083	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225981161	817238282	/nfs/dbraw/zinc/23/82/82/817238282.db2.gz	YSBZVBWWJNVGDG-QMMMGPOBSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C[C@H]1CC(Oc2[n-]c(=O)c(F)cc2C#N)C[C@H](C)C1	ZINC001226008187	817246821	/nfs/dbraw/zinc/24/68/21/817246821.db2.gz	FWVFFLOJNHZYEM-RKDXNWHRSA-N	-1	0	264.300	3.001	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCc2cc(F)ccc21	ZINC001226008775	817247279	/nfs/dbraw/zinc/24/72/79/817247279.db2.gz	MJMWASLMSVKZTF-CYBMUJFWSA-N	-1	0	288.253	3.003	20	30		CGEDRM
CC[C@@H](C)[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069129	817263374	/nfs/dbraw/zinc/26/33/74/817263374.db2.gz	ZHULWQHVNJXWRU-HTQZYQBOSA-N	-1	0	288.269	3.491	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1C#N	ZINC001226223573	817301812	/nfs/dbraw/zinc/30/18/12/817301812.db2.gz	RJGITOJCIKOYIU-SNVBAGLBSA-N	-1	0	299.286	3.016	20	30		CGEDRM
C=CCC(CC=C)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226783352	817463518	/nfs/dbraw/zinc/46/35/18/817463518.db2.gz	WXAOKGZECOTGBW-UHFFFAOYSA-N	-1	0	299.168	3.153	20	30		CGEDRM
C=CC[C@H](CCC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227112107	817561122	/nfs/dbraw/zinc/56/11/22/817561122.db2.gz	WBFWLAYEPMUQLH-SECBINFHSA-N	-1	0	256.733	3.268	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cnc3[nH]cc(C#N)c3c2)c1	ZINC001243179710	823275999	/nfs/dbraw/zinc/27/59/99/823275999.db2.gz	VVLKNLMSZGYQFP-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#Cc1c(O)ccc(O[C@H](c2cccnc2)C2CC2)c1C#N	ZINC001227624244	817685754	/nfs/dbraw/zinc/68/57/54/817685754.db2.gz	XIAVLBPOASUIHC-KRWDZBQOSA-N	-1	0	291.310	3.061	20	30		CGEDRM
C[C@@H](Oc1ccc(O)c(C#N)c1C#N)C1CCCC1	ZINC001227623173	817685759	/nfs/dbraw/zinc/68/57/59/817685759.db2.gz	PNYFMHMXENUBJC-SNVBAGLBSA-N	-1	0	256.305	3.093	20	30		CGEDRM
Cc1ccc(-c2cnc3ccc(C#N)cc3n2)cc1C(=O)[O-]	ZINC001243193662	823283802	/nfs/dbraw/zinc/28/38/02/823283802.db2.gz	IBIFDRFBSULOEV-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
Cc1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1C(=O)[O-]	ZINC001243196916	823285901	/nfs/dbraw/zinc/28/59/01/823285901.db2.gz	LTFPSMAFGUWNFY-VLGSPTGOSA-N	-1	0	281.311	3.485	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C2(C#N)CC2)cn1	ZINC001243201733	823287953	/nfs/dbraw/zinc/28/79/53/823287953.db2.gz	DNMBLSSKTGDUNH-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ncnc2cc(C#N)ccc21	ZINC001243201480	823287981	/nfs/dbraw/zinc/28/79/81/823287981.db2.gz	WMOWBKCAJQXQAZ-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C#N)c(CC#N)c1	ZINC001243204085	823289724	/nfs/dbraw/zinc/28/97/24/823289724.db2.gz	YAIIBCVJCNFYBY-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
C#C[C@@H](CC)Oc1cc(-c2ccccc2)nc(=S)[nH]1	ZINC001228347255	817884214	/nfs/dbraw/zinc/88/42/14/817884214.db2.gz	QQGTYIBQOVRXEM-LBPRGKRZSA-N	-1	0	270.357	3.223	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=O)ncc2Cl)C(C)(C)O1	ZINC001228483101	817918816	/nfs/dbraw/zinc/91/88/16/817918816.db2.gz	QRUQPRILBJCAMQ-QMTHXVAHSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C#C[C@@H](CC)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210552	818057229	/nfs/dbraw/zinc/05/72/29/818057229.db2.gz	RWTNLJYAQPBZBU-ZDUSSCGKSA-N	-1	0	280.323	3.414	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cc(Cl)cc(C(=O)[O-])c3)c1-2	ZINC001243324233	823347523	/nfs/dbraw/zinc/34/75/23/823347523.db2.gz	OEGXXXDPRUVECE-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc([O-])c(F)c2F)n1	ZINC001243341086	823354782	/nfs/dbraw/zinc/35/47/82/823354782.db2.gz	BFZGTGCVLBBPBD-UHFFFAOYSA-N	-1	0	278.258	3.001	20	30		CGEDRM
C#C[C@@H](Oc1ccc2c(c1)C(=O)CO2)c1ccccc1	ZINC001233677086	818677314	/nfs/dbraw/zinc/67/73/14/818677314.db2.gz	DXJHBKLUGKZZSW-MRXNPFEDSA-N	-1	0	264.280	3.015	20	30		CGEDRM
N#C[C@H](Oc1cc(O)cc(F)c1)c1ccccc1F	ZINC001233817392	818711997	/nfs/dbraw/zinc/71/19/97/818711997.db2.gz	RAUSSKFABIRJBM-AWEZNQCLSA-N	-1	0	261.227	3.314	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H](C)CC[C@@H]2C)c1C#N	ZINC001233915560	818730194	/nfs/dbraw/zinc/73/01/94/818730194.db2.gz	MNHFSNPFQYSUCT-OUJBWJOFSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=CC[C@H](CCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331927	818839002	/nfs/dbraw/zinc/83/90/02/818839002.db2.gz	KYRCBJLGCXBTOV-LLVKDONJSA-N	-1	0	286.264	3.282	20	30		CGEDRM
C#C[C@@H](C)Oc1cc([O-])c(CC=C(C)C)c2occc(=O)c12	ZINC001234755117	818921875	/nfs/dbraw/zinc/92/18/75/818921875.db2.gz	IFBQWJLUMAMTHZ-GFCCVEGCSA-N	-1	0	298.338	3.408	20	30		CGEDRM
Cc1cnc(F)c([C@@H](C)Oc2ccccc2C=N[O-])c1	ZINC001234819028	818925532	/nfs/dbraw/zinc/92/55/32/818925532.db2.gz	GLWYXOMEMOTMIQ-LLVKDONJSA-N	-1	0	274.295	3.477	20	30		CGEDRM
C[C@H](Oc1ccccc1C=N[O-])c1ncccc1F	ZINC001234818638	818926157	/nfs/dbraw/zinc/92/61/57/818926157.db2.gz	CKBALIQDCCHQBW-JTQLQIEISA-N	-1	0	260.268	3.169	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235078889	818996503	/nfs/dbraw/zinc/99/65/03/818996503.db2.gz	VLCWIFQJZRBMEC-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235983784	819258218	/nfs/dbraw/zinc/25/82/18/819258218.db2.gz	HCSDJMMVJBKQOE-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])cc2)nc1C(F)(F)F	ZINC001236055275	819290064	/nfs/dbraw/zinc/29/00/64/819290064.db2.gz	GKPWXENKAHNHFI-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(C(=O)[O-])cc1	ZINC001236065169	819296801	/nfs/dbraw/zinc/29/68/01/819296801.db2.gz	WFLLIYJRERLFRT-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
Cc1ccc(F)c(-c2cc(C)c(C#N)c(C)n2)c1[O-]	ZINC001236389437	819445720	/nfs/dbraw/zinc/44/57/20/819445720.db2.gz	CXCJJCGGANIUSZ-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
N#C[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1[O-]	ZINC001237800470	819844263	/nfs/dbraw/zinc/84/42/63/819844263.db2.gz	ZCRCFYSKZPNOPD-LLVKDONJSA-N	-1	0	268.719	3.063	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])cc3F)nc2)CC1	ZINC001239244684	820238486	/nfs/dbraw/zinc/23/84/86/820238486.db2.gz	CCYOCTGHYZMDIA-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccc(C(=O)[O-])cc1F	ZINC001239255558	820241832	/nfs/dbraw/zinc/24/18/32/820241832.db2.gz	BJVACSUNIDYCKP-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cc(-c2ccccc2S(=O)(=O)[O-])ccc1Cl	ZINC001240400751	821022903	/nfs/dbraw/zinc/02/29/03/821022903.db2.gz	POPJDAXSMJDIAU-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)cc1	ZINC001240735627	821288185	/nfs/dbraw/zinc/28/81/85/821288185.db2.gz	UTVPHFRKXGDBAL-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(/C(C)=N/O)cc1	ZINC001240738583	821291576	/nfs/dbraw/zinc/29/15/76/821291576.db2.gz	RYDDTRFEXLZGDA-LICLKQGHSA-N	-1	0	285.299	3.259	20	30		CGEDRM
COc1cc(-c2ccc(/C(C)=N/O)cc2)ccc1C(=O)[O-]	ZINC001240746563	821297657	/nfs/dbraw/zinc/29/76/57/821297657.db2.gz	SHFHGSRVABOHGK-LICLKQGHSA-N	-1	0	285.299	3.259	20	30		CGEDRM
N#CCCOc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240975815	821459099	/nfs/dbraw/zinc/45/90/99/821459099.db2.gz	JSGQMHZWKFPAQD-UHFFFAOYSA-N	-1	0	281.311	3.273	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(CC(=O)[O-])cc2)c1F	ZINC001240975889	821459518	/nfs/dbraw/zinc/45/95/18/821459518.db2.gz	CBQXDUIOVUNUEP-UHFFFAOYSA-N	-1	0	273.238	3.131	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2ncnc(C#N)c2c1	ZINC001241002580	821482223	/nfs/dbraw/zinc/48/22/23/821482223.db2.gz	IVEPEIDBHKSGKR-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(C(=O)[O-])c(F)c2)nc1C#N	ZINC001241185030	821622120	/nfs/dbraw/zinc/62/21/20/821622120.db2.gz	PHBRWNDQINYXLZ-UHFFFAOYSA-N	-1	0	298.273	3.022	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3ccc(F)c(C(=O)[O-])c3)cc12	ZINC001241246154	821667995	/nfs/dbraw/zinc/66/79/95/821667995.db2.gz	LXVXZZHTZZJDET-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(Cl)c2)ccc1C#N	ZINC001241346878	821750869	/nfs/dbraw/zinc/75/08/69/821750869.db2.gz	NSDHWERSYYEOJL-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
CO/N=C/c1cc(-c2cccc(C(=O)[O-])c2)ccc1F	ZINC001241361258	821763033	/nfs/dbraw/zinc/76/30/33/821763033.db2.gz	YTZKZGJTKJCWOS-RQZCQDPDSA-N	-1	0	273.263	3.171	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241820864	822161431	/nfs/dbraw/zinc/16/14/31/822161431.db2.gz	FLWFSZWYKPVLJG-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
COc1ccc(-c2ccc(CC#N)c(C)c2)cc1C(=O)[O-]	ZINC001241874516	822190455	/nfs/dbraw/zinc/19/04/55/822190455.db2.gz	JEADGHRBNCSVSJ-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
COc1ccc(-c2ccc(/C(C)=N/O)cc2)cc1C(=O)[O-]	ZINC001241880890	822190725	/nfs/dbraw/zinc/19/07/25/822190725.db2.gz	HZONGSKGAXYBIP-LICLKQGHSA-N	-1	0	285.299	3.259	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242131608	822888606	/nfs/dbraw/zinc/88/86/06/822888606.db2.gz	HOHGWGVBRRZFHH-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1nc(C#N)cnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242132325	822889354	/nfs/dbraw/zinc/88/93/54/822889354.db2.gz	RFQBTXBFDRBSHF-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1cc(-c2cccc(CC(=O)[O-])c2)cc(C)c1C#N	ZINC001242261766	822929327	/nfs/dbraw/zinc/92/93/27/822929327.db2.gz	CZJBAPGYJMCNBJ-UHFFFAOYSA-N	-1	0	265.312	3.469	20	30		CGEDRM
Cc1ccc(-c2cccc(CC(=O)[O-])c2)c(C)c1C#N	ZINC001242264403	822930670	/nfs/dbraw/zinc/93/06/70/822930670.db2.gz	KDRWEYVULFLKAX-UHFFFAOYSA-N	-1	0	265.312	3.469	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(F)c3[O-])nc2)CCOCC1	ZINC001242349241	822959925	/nfs/dbraw/zinc/95/99/25/822959925.db2.gz	KTGVZLSGKBIHCZ-UHFFFAOYSA-N	-1	0	298.317	3.165	20	30		CGEDRM
Cc1ccc(C#N)cc1-c1nc[n-]c2nc(=S)sc1-2	ZINC001242541042	823024648	/nfs/dbraw/zinc/02/46/48/823024648.db2.gz	QGVJZGUCAPHUJF-UHFFFAOYSA-N	-1	0	284.369	3.222	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001347993693	936905842	/nfs/dbraw/zinc/90/58/42/936905842.db2.gz	PJIIXZRERQNRPQ-LLVKDONJSA-N	-1	0	290.269	3.395	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccc(C#N)cn1	ZINC001353093970	937057292	/nfs/dbraw/zinc/05/72/92/937057292.db2.gz	ROZNVNGDGYXFBA-UHFFFAOYSA-N	-1	0	288.351	3.166	20	30		CGEDRM
Cc1cnc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)c1	ZINC001356059233	937152078	/nfs/dbraw/zinc/15/20/78/937152078.db2.gz	KKGVIDYWINSOIC-GFCCVEGCSA-N	-1	0	291.310	3.330	20	30		CGEDRM
CN(C(=O)c1cccc(Cl)c1[O-])c1ccccc1C#N	ZINC001435546690	937261985	/nfs/dbraw/zinc/26/19/85/937261985.db2.gz	YXUMPNILSSNZPW-UHFFFAOYSA-N	-1	0	286.718	3.194	20	30		CGEDRM
C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1[O-]	ZINC001436687070	937285971	/nfs/dbraw/zinc/28/59/71/937285971.db2.gz	KKTXEDXYEZPDRR-AWEZNQCLSA-N	-1	0	299.345	3.449	20	30		CGEDRM
C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228900332	932047608	/nfs/dbraw/zinc/04/76/08/932047608.db2.gz	FCNJQSLEQXWMKK-GFCCVEGCSA-N	-1	0	296.326	3.364	20	30		CGEDRM
Cc1cc(COc2[n-]c(=O)ccc2C#N)ccc1OC(C)C	ZINC001228901239	932047644	/nfs/dbraw/zinc/04/76/44/932047644.db2.gz	KNEAINZNEKDJKH-UHFFFAOYSA-N	-1	0	298.342	3.334	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1c(F)cccc1F	ZINC001228898341	932048358	/nfs/dbraw/zinc/04/83/58/932048358.db2.gz	GBJBSMHTZFRPAP-MRVPVSSYSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C=C[C@H](C)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-]	ZINC001230112258	932534940	/nfs/dbraw/zinc/53/49/40/932534940.db2.gz	UWVBOXLJCARADI-LURJTMIESA-N	-1	0	297.159	3.193	20	30		CGEDRM
N#C[C@H]1CC[C@@H](Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1	ZINC001231044531	932663938	/nfs/dbraw/zinc/66/39/38/932663938.db2.gz	JYCCWTHYQSNWPK-NKWVEPMBSA-N	-1	0	297.145	3.336	20	30		CGEDRM
C=C(C)C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=C)C	ZINC001231077763	932673359	/nfs/dbraw/zinc/67/33/59/932673359.db2.gz	ZDPQJQVXOGASEO-QMMMGPOBSA-N	-1	0	299.714	3.034	20	30		CGEDRM
N#Cc1cccc(C(=O)Cc2cc(Cl)c([O-])cc2F)c1	ZINC001250290214	932719543	/nfs/dbraw/zinc/71/95/43/932719543.db2.gz	YAMCABXEGJPTOS-UHFFFAOYSA-N	-1	0	289.693	3.482	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-][C@H](CC)C(F)(F)F	ZINC001464874267	937696557	/nfs/dbraw/zinc/69/65/57/937696557.db2.gz	HJAIRSBPKAYVCI-SNVBAGLBSA-N	-1	0	289.363	3.217	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1ccc(Cl)c([O-])c1	ZINC001467564018	937719347	/nfs/dbraw/zinc/71/93/47/937719347.db2.gz	SLIWFEYYDYIOLN-JTQLQIEISA-N	-1	0	253.729	3.130	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC(C)(C)C)CCC2	ZINC001319576863	933895372	/nfs/dbraw/zinc/89/53/72/933895372.db2.gz	JPEIDZQXKLIFDL-UHFFFAOYSA-N	-1	0	265.309	3.142	20	30		CGEDRM
CC(C)=C[C@H]1[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1(C)C	ZINC001471085352	937761357	/nfs/dbraw/zinc/76/13/57/937761357.db2.gz	DKFMAFMGPYHCBA-GJZGRUSLSA-N	-1	0	284.359	3.207	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)NC1(C(=O)[O-])CC1	ZINC001328336830	935130648	/nfs/dbraw/zinc/13/06/48/935130648.db2.gz	GADGOMIWBLMITO-LBPRGKRZSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CC#CC[C@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-]	ZINC001333184874	935515930	/nfs/dbraw/zinc/51/59/30/935515930.db2.gz	DMPCQQNTBQOICW-HNNXBMFYSA-N	-1	0	285.343	3.006	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)CC1CCCCC1)C(=O)[O-]	ZINC001334960685	936124297	/nfs/dbraw/zinc/12/42/97/936124297.db2.gz	CYJRQSXUVYFEFT-JSGCOSHPSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(F)c1[O-]	ZINC001532333214	938086120	/nfs/dbraw/zinc/08/61/20/938086120.db2.gz	OUZSHNXEYKAHLE-FZMZJTMJSA-N	-1	0	277.339	3.396	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC001594325331	958163629	/nfs/dbraw/zinc/16/36/29/958163629.db2.gz	QDQGCKQJBQYQKT-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1COc1cccc(F)c1C#N	ZINC000122688413	958484055	/nfs/dbraw/zinc/48/40/55/958484055.db2.gz	NHYKEAOVMYKJRA-UHFFFAOYSA-N	-1	0	291.303	3.345	20	30		CGEDRM
N#Cc1cccc2c1CCN2C(=O)c1ccc(Cl)c([O-])c1	ZINC001162450658	958837028	/nfs/dbraw/zinc/83/70/28/958837028.db2.gz	FHNAUDXIPSUXIH-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
CC#CCCOc1c(C(=O)[O-])ccc2ccccc21	ZINC000168045447	959370822	/nfs/dbraw/zinc/37/08/22/959370822.db2.gz	ULHSXBYIROPGTA-UHFFFAOYSA-N	-1	0	254.285	3.330	20	30		CGEDRM
CC(C)C[C@@H](Nc1ncc(C#N)c2ccsc21)C(=O)[O-]	ZINC001573531724	962263840	/nfs/dbraw/zinc/26/38/40/962263840.db2.gz	LZBLMOXPCUGTSN-LLVKDONJSA-N	-1	0	289.360	3.079	20	30		CGEDRM
CCC(CC)(CNc1cc(C)cc(F)c1C#N)C(=O)[O-]	ZINC001573790316	962276577	/nfs/dbraw/zinc/27/65/77/962276577.db2.gz	KYPAVUGVFFPWQM-UHFFFAOYSA-N	-1	0	278.327	3.309	20	30		CGEDRM
Cc1c(C#N)cccc1NCc1ccc(C(=O)[O-])s1	ZINC001574296861	962293375	/nfs/dbraw/zinc/29/33/75/962293375.db2.gz	SEJKMVFLUDCIGB-UHFFFAOYSA-N	-1	0	272.329	3.239	20	30		CGEDRM
C#C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)C(C)(C)C	ZINC001588377668	962751270	/nfs/dbraw/zinc/75/12/70/962751270.db2.gz	PKBZZWBRSOQMBG-CHWSQXEVSA-N	-1	0	279.767	3.103	20	30		CGEDRM
C=CC1(CC(=O)NC2(C(=O)[O-])CCCC2)CCCCC1	ZINC001573329739	962812528	/nfs/dbraw/zinc/81/25/28/962812528.db2.gz	LYSSYJVJBZBHGQ-UHFFFAOYSA-N	-1	0	279.380	3.027	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1	ZINC001573330242	962814308	/nfs/dbraw/zinc/81/43/08/962814308.db2.gz	WUXUBRGIEOFQKQ-GFCCVEGCSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=C[C@H](CC)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588693505	963066379	/nfs/dbraw/zinc/06/63/79/963066379.db2.gz	ZXEPKBYBOSGZKG-SECBINFHSA-N	-1	0	268.696	3.160	20	30		CGEDRM
C=CC[N@@H+](CCc1ccco1)[C@H](C(=O)[O-])c1ccccc1C	ZINC001573368827	963086494	/nfs/dbraw/zinc/08/64/94/963086494.db2.gz	SCJFDZPZQHKACX-KRWDZBQOSA-N	-1	0	299.370	3.444	20	30		CGEDRM
C#C[C@@H](N[C@H](C(=O)[O-])c1ccccc1C)c1ccc(F)cc1	ZINC001588378097	963272254	/nfs/dbraw/zinc/27/22/54/963272254.db2.gz	URKHVNKEZSSHJJ-SJORKVTESA-N	-1	0	297.329	3.224	20	30		CGEDRM
C#CCN(Cc1ccccc1)[C@H](C(=O)[O-])c1ccccc1C	ZINC001588469359	963276763	/nfs/dbraw/zinc/27/67/63/963276763.db2.gz	GTQLRUUGXDBHQM-SFHVURJKSA-N	-1	0	293.366	3.256	20	30		CGEDRM
C#CCN(Cc1ccccc1)[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588470028	963277308	/nfs/dbraw/zinc/27/73/08/963277308.db2.gz	ZOWGRJDWZSUCHY-AWEZNQCLSA-N	-1	0	297.354	3.483	20	30		CGEDRM
C=C(C)CCC(=O)N1CCCc2ccc(C(=O)[O-])cc21	ZINC001588554564	963287393	/nfs/dbraw/zinc/28/73/93/963287393.db2.gz	JJSDXUHZMPNWPX-UHFFFAOYSA-N	-1	0	273.332	3.020	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1ccc(CC(C)C)s1)C(=O)[O-]	ZINC001588547324	963288194	/nfs/dbraw/zinc/28/81/94/963288194.db2.gz	XRCIEMVBJDWSLS-LBPRGKRZSA-N	-1	0	295.404	3.096	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCC[C@H]1CCC	ZINC001588624826	963289644	/nfs/dbraw/zinc/28/96/44/963289644.db2.gz	XRRKBHOCAIVUHX-ZIAGYGMSSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC001588605447	963295072	/nfs/dbraw/zinc/29/50/72/963295072.db2.gz	HWAPRAJBZWKXIP-OCCSQVGLSA-N	-1	0	288.347	3.095	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1	ZINC001588681990	963298379	/nfs/dbraw/zinc/29/83/79/963298379.db2.gz	HRPGBIKLKQYQKH-CQSZACIVSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=C[C@@H](Nc1cc(Cc2ccccn2)ccc1C)C(=O)[O-]	ZINC001588702197	963304156	/nfs/dbraw/zinc/30/41/56/963304156.db2.gz	LYUGRCGINCUIMT-OAHLLOKOSA-N	-1	0	282.343	3.032	20	30		CGEDRM
C=CC[C@@H](C(=O)N[C@H](CCCC)C(=O)[O-])c1ccccc1	ZINC001588720655	963304876	/nfs/dbraw/zinc/30/48/76/963304876.db2.gz	DBNWSMCRHNNIKT-HUUCEWRRSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1nc(CCCC(=O)[O-])cs1	ZINC001588693327	963305284	/nfs/dbraw/zinc/30/52/84/963305284.db2.gz	WLIMVJGNMCKSGS-JTQLQIEISA-N	-1	0	296.392	3.091	20	30		CGEDRM
C=C[C@H](Nc1cc(Cl)ccc1OCCC)C(=O)[O-]	ZINC001588702779	963305746	/nfs/dbraw/zinc/30/57/46/963305746.db2.gz	YFALNZDSVULIHX-JTQLQIEISA-N	-1	0	269.728	3.180	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCC1	ZINC001588764711	963310351	/nfs/dbraw/zinc/31/03/51/963310351.db2.gz	GVZMOXZLGQCLAK-UHFFFAOYSA-N	-1	0	295.285	3.348	20	30		CGEDRM
C=CC[C@H](Nc1cccc(COCC2CC2)c1)C(=O)[O-]	ZINC001588752075	963312276	/nfs/dbraw/zinc/31/22/76/963312276.db2.gz	UETMKNZMQFCBPC-HNNXBMFYSA-N	-1	0	275.348	3.054	20	30		CGEDRM
C=CCC1(C(=O)N2CCC(CC(=O)[O-])CC2)CCCCC1	ZINC001588762679	963312724	/nfs/dbraw/zinc/31/27/24/963312724.db2.gz	LLVOIYWAKZKELS-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)NCCCCCCC(=O)[O-]	ZINC001588782571	963314482	/nfs/dbraw/zinc/31/44/82/963314482.db2.gz	WIQLHJLYJFULJH-CQSZACIVSA-N	-1	0	296.411	3.162	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588772252	963314550	/nfs/dbraw/zinc/31/45/50/963314550.db2.gz	BGIDKJKJVMMMSS-ZDUSSCGKSA-N	-1	0	288.347	3.130	20	30		CGEDRM
C=CCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001588776765	963315097	/nfs/dbraw/zinc/31/50/97/963315097.db2.gz	FWRCTFKWVWXDMS-UHFFFAOYSA-N	-1	0	265.334	3.011	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588771709	963318719	/nfs/dbraw/zinc/31/87/19/963318719.db2.gz	YEZFGWXGGYEYBK-IUODEOHRSA-N	-1	0	287.359	3.250	20	30		CGEDRM
C[C@H](CC(C)(C)C#N)Nc1cccc(CC(=O)[O-])c1	ZINC001589006445	963339038	/nfs/dbraw/zinc/33/90/38/963339038.db2.gz	GJQOMQMSMHXWBN-LLVKDONJSA-N	-1	0	260.337	3.054	20	30		CGEDRM
CC(=NNc1cccc(F)c1C(=O)[O-])c1ccccc1C#N	ZINC001589017679	963342479	/nfs/dbraw/zinc/34/24/79/963342479.db2.gz	ZIWAAEUQHUULLO-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
C[C@H](C#N)CN(Cc1cccc(C(=O)[O-])c1Cl)C1CC1	ZINC001589330368	963982493	/nfs/dbraw/zinc/98/24/93/963982493.db2.gz	BPNZZCZXAKSVGO-SNVBAGLBSA-N	-1	0	292.766	3.162	20	30		CGEDRM
CC(C)(C#N)CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1	ZINC001589554174	964000099	/nfs/dbraw/zinc/00/00/99/964000099.db2.gz	WRIHBXRCKLIQDU-UHFFFAOYSA-N	-1	0	295.722	3.021	20	30		CGEDRM
CC[C@@H]1C[C@@H](CN=Nc2cccc(C(=O)[O-])c2F)CCO1	ZINC001595409306	981006768	/nfs/dbraw/zinc/00/67/68/981006768.db2.gz	VYJMCWSBZNVEPZ-WDEREUQCSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)o1	ZINC001597495229	988042078	/nfs/dbraw/zinc/04/20/78/988042078.db2.gz	SPOCILWEXHWBER-HWKANZROSA-N	-1	0	260.245	3.029	20	30		CGEDRM
CC(C)(C)OC1CC(ON=Cc2ccc(C(=O)[O-])cc2)C1	ZINC001590377853	989877681	/nfs/dbraw/zinc/87/76/81/989877681.db2.gz	AOGKFBWNFIWYKT-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
COc1ccc(N=NCCC(C)(C)C(=O)[O-])cc1Cl	ZINC001599597468	993767906	/nfs/dbraw/zinc/76/79/06/993767906.db2.gz	UJPYCSJIZVCLLW-UHFFFAOYSA-N	-1	0	284.743	3.247	20	30		CGEDRM
C[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1F	ZINC001594357345	999351408	/nfs/dbraw/zinc/35/14/08/999351408.db2.gz	LUCNOYQSWOREJU-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CCc1ccc2occ(C([O-])=C(C#N)c3ccncn3)c2c1	ZINC000354053432	529732609	/nfs/dbraw/zinc/73/26/09/529732609.db2.gz	MTKCIGMXOVZBRI-ZDUSSCGKSA-N	-1	0	291.310	3.275	20	30		CGEDRM
CC[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000593574302	347091793	/nfs/dbraw/zinc/09/17/93/347091793.db2.gz	QFCGYOOAFOAOEN-LURJTMIESA-N	-1	0	273.119	3.187	20	30		CGEDRM
N#Cc1c(C(F)F)cccc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC000595965541	347373625	/nfs/dbraw/zinc/37/36/25/347373625.db2.gz	FUGUUWKMBSVVFX-JTQLQIEISA-N	-1	0	294.301	3.187	20	30		CGEDRM
Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1CCC#N	ZINC000603923619	348103133	/nfs/dbraw/zinc/10/31/33/348103133.db2.gz	JCIHDOQNBXYULU-LBPRGKRZSA-N	-1	0	295.264	3.348	20	30		CGEDRM
Cc1sc(/C=C\c2cccc(F)c2C#N)nc1C(=O)[O-]	ZINC000357084222	232896773	/nfs/dbraw/zinc/89/67/73/232896773.db2.gz	ZKBXXQNTIMDLEK-WAYWQWQTSA-N	-1	0	288.303	3.331	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1	ZINC000624581522	350067345	/nfs/dbraw/zinc/06/73/45/350067345.db2.gz	XLDRHZKFQSXLJH-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1cc(C(C)(C)C)oc1C)C(=O)[O-]	ZINC000899294616	620635628	/nfs/dbraw/zinc/63/56/28/620635628.db2.gz	DLZXZIMCKGQGMF-GFCCVEGCSA-N	-1	0	293.363	3.035	20	30		CGEDRM
N#Cc1ccc(/C=C\c2ccc(C(=O)[O-])cc2Cl)nc1	ZINC000342186858	216251706	/nfs/dbraw/zinc/25/17/06/216251706.db2.gz	FCPBIZLIFBQKNR-XQRVVYSFSA-N	-1	0	284.702	3.475	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000041554463	369191195	/nfs/dbraw/zinc/19/11/95/369191195.db2.gz	FLKHPSDDLQPGCN-LLVKDONJSA-N	-1	0	294.232	3.492	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nc(-c2ccco2)cs1	ZINC000291940824	372177408	/nfs/dbraw/zinc/17/74/08/372177408.db2.gz	YBPPMSOTRFHYQY-UHFFFAOYSA-N	-1	0	298.389	3.111	20	30		CGEDRM
CC(C)c1n[n-]c(=N[C@@H](CCC#N)c2ccccc2)o1	ZINC000450385457	374095466	/nfs/dbraw/zinc/09/54/66/374095466.db2.gz	CXZZWHPEOSFODA-ZDUSSCGKSA-N	-1	0	270.336	3.072	20	30		CGEDRM
CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000334212896	206200084	/nfs/dbraw/zinc/20/00/84/206200084.db2.gz	DRHBHYHCKGOCMB-UHFFFAOYSA-N	-1	0	290.344	3.075	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1	ZINC000188879493	375285995	/nfs/dbraw/zinc/28/59/95/375285995.db2.gz	XNRMXZHNGNIXGI-HOTGVXAUSA-N	-1	0	289.375	3.311	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1	ZINC000190928320	375549785	/nfs/dbraw/zinc/54/97/85/375549785.db2.gz	IGLCYUCHBLIRGM-NSHDSACASA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C3CC3)cn2)n1	ZINC000532294232	375949465	/nfs/dbraw/zinc/94/94/65/375949465.db2.gz	WFJFXFCSWOSUQI-LBPRGKRZSA-N	-1	0	283.356	3.214	20	30		CGEDRM
N#CCc1ccc(CN=c2nc(C3CCCC3)[n-]s2)cc1	ZINC000564903144	377481258	/nfs/dbraw/zinc/48/12/58/377481258.db2.gz	HXBUUZQJUFKHMC-UHFFFAOYSA-N	-1	0	298.415	3.296	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CCCC2)n1)c1ccccn1	ZINC000565880615	377490411	/nfs/dbraw/zinc/49/04/11/377490411.db2.gz	SLRFJRFTAOTZBX-GFCCVEGCSA-N	-1	0	281.315	3.217	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000345408461	378278695	/nfs/dbraw/zinc/27/86/95/378278695.db2.gz	MWNHMVJORKFXBB-LLVKDONJSA-N	-1	0	279.299	3.263	20	30		CGEDRM
Cc1ccsc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000357569246	381212958	/nfs/dbraw/zinc/21/29/58/381212958.db2.gz	QNYVCNLHLFTMTG-PLNGDYQASA-N	-1	0	270.313	3.192	20	30		CGEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1nc(C2CC2)cs1	ZINC000647372997	392710750	/nfs/dbraw/zinc/71/07/50/392710750.db2.gz	ZVKYLIJZUODLNZ-CYBMUJFWSA-N	-1	0	293.351	3.382	20	30		CGEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379502	392711385	/nfs/dbraw/zinc/71/13/85/392711385.db2.gz	NXAHFXBNUSPAMK-LBPRGKRZSA-N	-1	0	297.339	3.284	20	30		CGEDRM
CCc1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647379448	392711624	/nfs/dbraw/zinc/71/16/24/392711624.db2.gz	KEVBQGBPLLEJAC-ZDUSSCGKSA-N	-1	0	297.383	3.468	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc(C2CC2)cs1	ZINC000647379445	392712456	/nfs/dbraw/zinc/71/24/56/392712456.db2.gz	KEAGFQTVBHXYNP-JTQLQIEISA-N	-1	0	299.355	3.376	20	30		CGEDRM
CC(C)(CC#N)CN=c1[n-]c(-c2cccc(Cl)c2)no1	ZINC000413410745	393024517	/nfs/dbraw/zinc/02/45/17/393024517.db2.gz	PXMOVXJQIHVRMI-UHFFFAOYSA-N	-1	0	290.754	3.164	20	30		CGEDRM
CC(C)c1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000355380771	393300143	/nfs/dbraw/zinc/30/01/43/393300143.db2.gz	GNWAJMNOOQOQHC-SNVBAGLBSA-N	-1	0	271.345	3.152	20	30		CGEDRM
N#Cc1csc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1	ZINC000445477577	393798531	/nfs/dbraw/zinc/79/85/31/393798531.db2.gz	CZJYKDYOUZASKI-UHFFFAOYSA-N	-1	0	287.275	3.181	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1c([O-])cc(F)cc1F	ZINC000678894838	543569682	/nfs/dbraw/zinc/56/96/82/543569682.db2.gz	GBTKNDOFNMEHPV-SECBINFHSA-N	-1	0	269.291	3.145	20	30		CGEDRM
Cc1cccc2cc(C([O-])=C(C#N)c3ccncn3)sc21	ZINC000344860412	225205559	/nfs/dbraw/zinc/20/55/59/225205559.db2.gz	BZGQABMEMXNZFD-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCCc1ccc(-c2cnn(CCC(=O)[O-])c2)cc1	ZINC000657205864	419231361	/nfs/dbraw/zinc/23/13/61/419231361.db2.gz	UBEXYWXVNBFMLB-UHFFFAOYSA-N	-1	0	270.332	3.143	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000049417924	260661104	/nfs/dbraw/zinc/66/11/04/260661104.db2.gz	HJSSUUYCCCPCJZ-UHFFFAOYSA-N	-1	0	299.436	3.288	20	30		CGEDRM
CC(C)(C)c1[n-]n(CCCCCF)c(=O)c1CCC#N	ZINC000283939679	263085103	/nfs/dbraw/zinc/08/51/03/263085103.db2.gz	FLHHFQDPBQCBTI-UHFFFAOYSA-N	-1	0	281.375	3.482	20	30		CGEDRM
C=C(CN=c1[n-]nc(C(C)C)s1)c1ccccc1	ZINC000340876819	263311367	/nfs/dbraw/zinc/31/13/67/263311367.db2.gz	NSNCJXHWYLEWDX-UHFFFAOYSA-N	-1	0	259.378	3.209	20	30		CGEDRM
O=C(NC1(CCO)CCCCC1)c1cc(F)c([O-])c(F)c1	ZINC000331231143	264153054	/nfs/dbraw/zinc/15/30/54/264153054.db2.gz	HQBZZMSBRMSYLL-UHFFFAOYSA-N	-1	0	299.317	3.060	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C	ZINC000424895754	264370033	/nfs/dbraw/zinc/37/00/33/264370033.db2.gz	PSJWYVWWXPMNQO-UHFFFAOYSA-N	-1	0	287.363	3.249	20	30		CGEDRM
C=C[C@@H]1CCCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000563206048	327963964	/nfs/dbraw/zinc/96/39/64/327963964.db2.gz	XYFXURADIMOAOP-LLVKDONJSA-N	-1	0	290.319	3.146	20	30		CGEDRM
C=CCn1c(SCC[C@H]2CCC[C@H](C)C2)n[n-]c1=N	ZINC000531793593	328034757	/nfs/dbraw/zinc/03/47/57/328034757.db2.gz	CWUOSVVSFVZEGE-NWDGAFQWSA-N	-1	0	280.441	3.185	20	30		CGEDRM
N#Cc1ccsc1C(=O)Nc1ccc(Cl)cc1[O-]	ZINC000153672574	321724027	/nfs/dbraw/zinc/72/40/27/321724027.db2.gz	ZDCFTIJVFWXDJN-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c[nH]1	ZINC000156184865	321776613	/nfs/dbraw/zinc/77/66/13/321776613.db2.gz	JIDQIYATQACJKD-UHFFFAOYSA-N	-1	0	296.113	3.151	20	30		CGEDRM
CC(=Cc1cccc(C2CC2)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000573473360	322389710	/nfs/dbraw/zinc/38/97/10/322389710.db2.gz	HKLYCLZJAGCFQB-FLIBITNWSA-N	-1	0	291.354	3.388	20	30		CGEDRM
Cc1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000334518923	328530100	/nfs/dbraw/zinc/53/01/00/328530100.db2.gz	FVQAIYZJGVHHLR-SECBINFHSA-N	-1	0	262.359	3.312	20	30		CGEDRM
C=CC1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1	ZINC000151130686	327438066	/nfs/dbraw/zinc/43/80/66/327438066.db2.gz	YIWGAHUEQIUHHM-UHFFFAOYSA-N	-1	0	283.730	3.223	20	30		CGEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)o1	ZINC000190932773	329403137	/nfs/dbraw/zinc/40/31/37/329403137.db2.gz	CFFUKRSBZUZEPZ-LBPRGKRZSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=CCC[C@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000262928769	330037099	/nfs/dbraw/zinc/03/70/99/330037099.db2.gz	OQHHBLYZDXOALE-ZFWWWQNUSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000262928765	330037235	/nfs/dbraw/zinc/03/72/35/330037235.db2.gz	OQHHBLYZDXOALE-DZGCQCFKSA-N	-1	0	289.375	3.024	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1nc2ccccc2s1	ZINC000429685945	330551969	/nfs/dbraw/zinc/55/19/69/330551969.db2.gz	XTOSZGAXYHXTPE-QMMMGPOBSA-N	-1	0	285.353	3.243	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1	ZINC000439899092	330744522	/nfs/dbraw/zinc/74/45/22/330744522.db2.gz	HCJXKRHQMCVXKK-OCCSQVGLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)n(C(C)C)n2)n1	ZINC000453592367	331135152	/nfs/dbraw/zinc/13/51/52/331135152.db2.gz	RCVDYVLVYCOEAE-NSHDSACASA-N	-1	0	288.376	3.027	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000311038677	333063747	/nfs/dbraw/zinc/06/37/47/333063747.db2.gz	GADWVVYSKWMGGV-UHFFFAOYSA-N	-1	0	267.756	3.378	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C)cc2C)n1	ZINC000175082894	335173057	/nfs/dbraw/zinc/17/30/57/335173057.db2.gz	GBFNIDCFOWDBEE-JTQLQIEISA-N	-1	0	260.318	3.151	20	30		CGEDRM
CC(C)Sc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000354464831	528331683	/nfs/dbraw/zinc/33/16/83/528331683.db2.gz	KWVSNGSNOYHPPJ-ZDUSSCGKSA-N	-1	0	297.383	3.467	20	30		CGEDRM
CCCC[C@@H]1CCCC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000727252062	571734326	/nfs/dbraw/zinc/73/43/26/571734326.db2.gz	PCHYOHRJWUXWRO-LLVKDONJSA-N	-1	0	262.357	3.249	20	30		CGEDRM
Cc1cc(CN(CCC#N)CC(C)(C)C)oc1C(=O)[O-]	ZINC000738382367	571687596	/nfs/dbraw/zinc/68/75/96/571687596.db2.gz	HDEHYCQCNVEQEQ-UHFFFAOYSA-N	-1	0	278.352	3.048	20	30		CGEDRM
C=CCCOC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738492475	571804026	/nfs/dbraw/zinc/80/40/26/571804026.db2.gz	FOUQFPZMPFAVJC-UHFFFAOYSA-N	-1	0	269.684	3.163	20	30		CGEDRM
CC(=NNc1ccnc2ccccc21)c1ccc(O)cc1F	ZINC000730147737	571950999	/nfs/dbraw/zinc/95/09/99/571950999.db2.gz	JFAWKWLNIQNKIN-UHFFFAOYSA-N	-1	0	295.317	3.338	20	30		CGEDRM
N#CCOc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000730149065	571951541	/nfs/dbraw/zinc/95/15/41/571951541.db2.gz	BBQCOVDCWBHMLK-GQCTYLIASA-N	-1	0	297.285	3.330	20	30		CGEDRM
Cc1cc(C)cc([C@H](C)/N=C\c2c(O)c(C)ncc2CO)c1	ZINC000730434280	572353382	/nfs/dbraw/zinc/35/33/82/572353382.db2.gz	IQPZBKXDYUCZMO-CCSWUNFSSA-N	-1	0	298.386	3.385	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000730590698	572364936	/nfs/dbraw/zinc/36/49/36/572364936.db2.gz	SHWJZNUQDMOBTG-WAYWQWQTSA-N	-1	0	283.308	3.214	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cccc(F)c1F	ZINC000730728490	572370366	/nfs/dbraw/zinc/37/03/66/572370366.db2.gz	YCYBAYIMEHYDIP-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
Cc1cccc2c1C/C(=C\c1ccoc1C(=O)[O-])C2=O	ZINC000738747951	572391328	/nfs/dbraw/zinc/39/13/28/572391328.db2.gz	MCEGMPZFTPHNTD-YRNVUSSQSA-N	-1	0	268.268	3.109	20	30		CGEDRM
N#Cc1cccc(COC(=O)c2cccc(NC(=O)[O-])c2)c1	ZINC000739134057	572402511	/nfs/dbraw/zinc/40/25/11/572402511.db2.gz	UFWMLOMSFNAXTR-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
O=C([O-])CC[C@@H](/N=C/c1ccccc1O)c1ccccc1	ZINC000739659180	572422174	/nfs/dbraw/zinc/42/21/74/572422174.db2.gz	JXEOGDCOJGGLSC-GYZOOYGHSA-N	-1	0	283.327	3.417	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2cccc(OCC(=O)[O-])c2)c1	ZINC000733201212	572542557	/nfs/dbraw/zinc/54/25/57/572542557.db2.gz	GSYVVPOTHAJEAD-UHFFFAOYSA-N	-1	0	298.342	3.213	20	30		CGEDRM
C=CCCNc1ccc(C(=O)[O-])cc1OCC(F)(F)F	ZINC000736102546	572768439	/nfs/dbraw/zinc/76/84/39/572768439.db2.gz	NZKFMALNFVQBRD-UHFFFAOYSA-N	-1	0	289.253	3.314	20	30		CGEDRM
CC#CCN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000736118481	572768691	/nfs/dbraw/zinc/76/86/91/572768691.db2.gz	TZLWJCRVCMQUMN-LBPRGKRZSA-N	-1	0	286.158	3.074	20	30		CGEDRM
O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)c2)cc1[O-]	ZINC000748131630	572962200	/nfs/dbraw/zinc/96/22/00/572962200.db2.gz	LJKXJWVOPKJHIC-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410409	572975768	/nfs/dbraw/zinc/97/57/68/572975768.db2.gz	LGTXKBLLVQUYBB-HNNXBMFYSA-N	-1	0	294.354	3.471	20	30		CGEDRM
Cc1cccc2ncc(/C=C/C(=O)c3ccc([O-])c(F)c3)n21	ZINC000748997560	572987840	/nfs/dbraw/zinc/98/78/40/572987840.db2.gz	LALBLYJNWDFMFI-SOFGYWHQSA-N	-1	0	296.301	3.384	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)s1	ZINC000748997122	572987859	/nfs/dbraw/zinc/98/78/59/572987859.db2.gz	FTMUJFSPBCSEKZ-FPLPWBNLSA-N	-1	0	297.335	3.143	20	30		CGEDRM
O=C(/C=C\c1ccc(Cl)nc1)c1ccc([O-])c(F)c1	ZINC000748999515	572987889	/nfs/dbraw/zinc/98/78/89/572987889.db2.gz	YRJYAJPRVYAWNH-RJRFIUFISA-N	-1	0	277.682	3.476	20	30		CGEDRM
C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827768485	600751615	/nfs/dbraw/zinc/75/16/15/600751615.db2.gz	SNZWBPMIMMHXGB-GFCCVEGCSA-N	-1	0	295.342	3.499	20	30		CGEDRM
N#Cc1ccc2c(c1)CC/C(=C/c1ccoc1C(=O)[O-])C2=O	ZINC000833074085	600830375	/nfs/dbraw/zinc/83/03/75/600830375.db2.gz	OEXFXKBJDFCISY-WQLSENKSSA-N	-1	0	293.278	3.062	20	30		CGEDRM
Cc1oc(/C=C/C(=O)C2CCCCC2)cc1C(=O)[O-]	ZINC000899345826	620645942	/nfs/dbraw/zinc/64/59/42/620645942.db2.gz	VULBHDBLQQUGIW-BQYQJAHWSA-N	-1	0	262.305	3.449	20	30		CGEDRM
C=CCc1ccccc1OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825705305	601236174	/nfs/dbraw/zinc/23/61/74/601236174.db2.gz	BSLOSZOAFVTXAJ-KBPBESRZSA-N	-1	0	288.343	3.212	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)C2	ZINC000255026366	601293988	/nfs/dbraw/zinc/29/39/88/601293988.db2.gz	MFJIPPSLDGSZFZ-RIYZIHGNSA-N	-1	0	294.306	3.216	20	30		CGEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@H]2c2ccco2)c1	ZINC000833074262	601319057	/nfs/dbraw/zinc/31/90/57/601319057.db2.gz	TURNDQACCBYLMB-GOEBONIOSA-N	-1	0	296.326	3.114	20	30		CGEDRM
CCC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000828608957	601354833	/nfs/dbraw/zinc/35/48/33/601354833.db2.gz	IWWHJCACBLNDJV-AWEZNQCLSA-N	-1	0	289.331	3.053	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc(Cl)c2)[nH]1	ZINC000833094815	601444782	/nfs/dbraw/zinc/44/47/82/601444782.db2.gz	KXSCAHVPLGTTCP-FNORWQNLSA-N	-1	0	275.691	3.262	20	30		CGEDRM
CCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000103283604	601628530	/nfs/dbraw/zinc/62/85/30/601628530.db2.gz	SAIZMDUFKOGILT-CYBMUJFWSA-N	-1	0	269.385	3.203	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1CSc1ccc(C#N)cn1	ZINC000833030888	601632375	/nfs/dbraw/zinc/63/23/75/601632375.db2.gz	FWKULMXJZNMMKW-UHFFFAOYSA-N	-1	0	290.369	3.314	20	30		CGEDRM
CCOc1ccc(/C=N\Cc2cccc(C(=O)[O-])c2)c(O)c1	ZINC000830063853	601845167	/nfs/dbraw/zinc/84/51/67/601845167.db2.gz	KLBIDNJZRDUANY-WQRHYEAKSA-N	-1	0	299.326	3.108	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C)cc2Cl)c1=O	ZINC000899348657	620652798	/nfs/dbraw/zinc/65/27/98/620652798.db2.gz	GKZXUZLHQPLSAM-LLVKDONJSA-N	-1	0	260.724	3.010	20	30		CGEDRM
N#Cc1cc(CNc2cccc(NC(=O)[O-])c2)ccc1F	ZINC000833068850	602100790	/nfs/dbraw/zinc/10/07/90/602100790.db2.gz	NTXQIEOPGKEMPR-UHFFFAOYSA-N	-1	0	285.278	3.399	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C(F)(F)F)cc2)c1=O	ZINC000899349046	620653935	/nfs/dbraw/zinc/65/39/35/620653935.db2.gz	UGCBYTUAQVCDGR-GFCCVEGCSA-N	-1	0	280.249	3.067	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823481142	603315204	/nfs/dbraw/zinc/31/52/04/603315204.db2.gz	ZMPOAYQTNCWXRC-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
N#CCc1cccc(C(=O)Oc2cccc(NC(=O)[O-])c2)c1	ZINC000831109526	603482989	/nfs/dbraw/zinc/48/29/89/603482989.db2.gz	LMCIVUPXJYPIRE-UHFFFAOYSA-N	-1	0	296.282	3.062	20	30		CGEDRM
C=C(C)CCOC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823475099	603518322	/nfs/dbraw/zinc/51/83/22/603518322.db2.gz	VQLJLSSWGKDUGZ-GXTWGEPZSA-N	-1	0	291.347	3.141	20	30		CGEDRM
Cc1c(Cl)cccc1N=NCC1CCN(C(=O)[O-])CC1	ZINC000829872469	603858068	/nfs/dbraw/zinc/85/80/68/603858068.db2.gz	WLSPDWXEKWFCAN-UHFFFAOYSA-N	-1	0	295.770	3.436	20	30		CGEDRM
C#CC[C@@H](OC(=O)c1ccc(C)c(NC(=O)[O-])c1)C1CC1	ZINC000823441072	604212102	/nfs/dbraw/zinc/21/21/02/604212102.db2.gz	RZYAQSSFROMRPK-CQSZACIVSA-N	-1	0	287.315	3.044	20	30		CGEDRM
CC(=NO[C@H]1CCCCO1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814887663	604548020	/nfs/dbraw/zinc/54/80/20/604548020.db2.gz	QGZXVTXKCLOGJZ-FZMZJTMJSA-N	-1	0	271.357	3.187	20	30		CGEDRM
C[C@@H]1Cc2ccccc2N1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833634882	604602192	/nfs/dbraw/zinc/60/21/92/604602192.db2.gz	OTAGSVKFLCDQPE-GFCCVEGCSA-N	-1	0	292.338	3.208	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000832545227	604630128	/nfs/dbraw/zinc/63/01/28/604630128.db2.gz	ALHQICHVUYDWQH-YHYXMXQVSA-N	-1	0	282.295	3.290	20	30		CGEDRM
Cc1ccc(C#N)cc1OCc1ccc(C(=O)[O-])cc1F	ZINC000833747277	604675295	/nfs/dbraw/zinc/67/52/95/604675295.db2.gz	HLOUKNXRMOUUNK-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
O=C([O-])c1ccc(F)c(NCC#Cc2ccc(F)cc2)c1	ZINC000833320347	604813805	/nfs/dbraw/zinc/81/38/05/604813805.db2.gz	YKHWTJYACGSJCJ-UHFFFAOYSA-N	-1	0	287.265	3.127	20	30		CGEDRM
C=CCC[C@@H](C)OC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833373077	604991806	/nfs/dbraw/zinc/99/18/06/604991806.db2.gz	DYMLCGPGDZPSHI-SNVBAGLBSA-N	-1	0	263.293	3.288	20	30		CGEDRM
C=C(CC)COc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC000217658070	605004791	/nfs/dbraw/zinc/00/47/91/605004791.db2.gz	GDGIQVHFKLZEON-VURMDHGXSA-N	-1	0	262.305	3.138	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000236463853	605008820	/nfs/dbraw/zinc/00/88/20/605008820.db2.gz	BFTQPIRCBKIJGX-UHFFFAOYSA-N	-1	0	279.723	3.170	20	30		CGEDRM
CCOc1ccc(O)c(/C=N\CC(CC)(CC)C(=O)[O-])c1	ZINC000833663256	605052417	/nfs/dbraw/zinc/05/24/17/605052417.db2.gz	SWEYNNLSRTWUGA-YVLHZVERSA-N	-1	0	293.363	3.101	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000398101867	605073719	/nfs/dbraw/zinc/07/37/19/605073719.db2.gz	TWCSRGSISXUKRB-SNVBAGLBSA-N	-1	0	294.326	3.390	20	30		CGEDRM
O=C([O-])c1ccccc1N=NCc1c[nH]c2ccccc12	ZINC000833783792	605101935	/nfs/dbraw/zinc/10/19/35/605101935.db2.gz	QNSOJNUBQWQAQJ-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
COCCCC(C)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833723179	605157758	/nfs/dbraw/zinc/15/77/58/605157758.db2.gz	DUMDZZDUQDNBGQ-UHFFFAOYSA-N	-1	0	284.743	3.253	20	30		CGEDRM
C=CCCCC(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833373016	605158561	/nfs/dbraw/zinc/15/85/61/605158561.db2.gz	CZGSUEYTPLSQKJ-UHFFFAOYSA-N	-1	0	253.323	3.050	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1	ZINC000833371338	605249960	/nfs/dbraw/zinc/24/99/60/605249960.db2.gz	NUFVIZLOSZJWOS-LBPRGKRZSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC000833373489	605302808	/nfs/dbraw/zinc/30/28/08/605302808.db2.gz	QOLLWZSCFIPHSN-QGZVFWFLSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)Cc1ccccc1	ZINC000783864638	605329092	/nfs/dbraw/zinc/32/90/92/605329092.db2.gz	XGJYKKDVLCKFOB-GFCCVEGCSA-N	-1	0	283.331	3.056	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000398107243	605412614	/nfs/dbraw/zinc/41/26/14/605412614.db2.gz	WNOZZWYLMVUIFA-ZDUSSCGKSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2cc(C(=O)[O-])ccc2F)c1	ZINC000833368198	605830857	/nfs/dbraw/zinc/83/08/57/605830857.db2.gz	JDHJQCRITOAJGZ-UHFFFAOYSA-N	-1	0	283.302	3.142	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899830548	620731452	/nfs/dbraw/zinc/73/14/52/620731452.db2.gz	KQRQMOVBJFLJRF-CABCVRRESA-N	-1	0	289.375	3.024	20	30		CGEDRM
CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000255011272	617739449	/nfs/dbraw/zinc/73/94/49/617739449.db2.gz	FFARWRIVXBPRMO-TWGQIWQCSA-N	-1	0	284.311	3.393	20	30		CGEDRM
CCC(CC)CC(=O)N(O)Cc1ccc(F)cc1	ZINC000900093969	620761432	/nfs/dbraw/zinc/76/14/32/620761432.db2.gz	DKWFRHDUPYTWRO-UHFFFAOYSA-N	-1	0	253.317	3.370	20	30		CGEDRM
Cc1ncccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000255131429	617966309	/nfs/dbraw/zinc/96/63/09/617966309.db2.gz	ZYUUQDIMVLGHBE-XQRVVYSFSA-N	-1	0	257.264	3.131	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccs2)n1	ZINC000255195774	618057023	/nfs/dbraw/zinc/05/70/23/618057023.db2.gz	ZONZOBLNALJRRH-WYGGZMRJSA-N	-1	0	274.370	3.403	20	30		CGEDRM
O=C(CCc1ccccc1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513514	618061641	/nfs/dbraw/zinc/06/16/41/618061641.db2.gz	ZGBGSPBAURZOCJ-UHFFFAOYSA-N	-1	0	295.404	3.238	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(Cl)c1C)C(=O)[O-]	ZINC000900319564	620780494	/nfs/dbraw/zinc/78/04/94/620780494.db2.gz	BXWNTVXNFUUAKR-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
O=C(/C=C\c1cnn2ccccc12)c1ccc([O-])c(F)c1	ZINC000255380929	618244757	/nfs/dbraw/zinc/24/47/57/618244757.db2.gz	JFGRNVNNYUOMGM-WAYWQWQTSA-N	-1	0	282.274	3.075	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c([O-])c1	ZINC000255554485	618668641	/nfs/dbraw/zinc/66/86/41/618668641.db2.gz	KOWQMEOMEVHABW-KXFIGUGUSA-N	-1	0	296.322	3.232	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccc3c2OCO3)c([O-])c1	ZINC000255564858	618684583	/nfs/dbraw/zinc/68/45/83/618684583.db2.gz	NNUJPWGNHTWUMV-YVMONPNESA-N	-1	0	298.294	3.026	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)o1	ZINC000255677077	618775833	/nfs/dbraw/zinc/77/58/33/618775833.db2.gz	XBBGSZLWOMKBCL-XQRVVYSFSA-N	-1	0	273.244	3.098	20	30		CGEDRM
Cc1noc(C)c1[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000072613690	625315897	/nfs/dbraw/zinc/31/58/97/625315897.db2.gz	CIHGBENATBFDDZ-BQNBSLLUSA-N	-1	0	289.291	3.085	20	30		CGEDRM
CC[C@H](NN=C(C)CCC1CCCCC1)C(=O)[O-]	ZINC000793073290	619677927	/nfs/dbraw/zinc/67/79/27/619677927.db2.gz	RLGCNCHVJZPXKH-ZDUSSCGKSA-N	-1	0	254.374	3.176	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NOCc1cccnc1	ZINC000814883818	619720111	/nfs/dbraw/zinc/72/01/11/619720111.db2.gz	BWIBPIVPIHNNPH-UHFFFAOYSA-N	-1	0	280.686	3.130	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909521822	619831731	/nfs/dbraw/zinc/83/17/31/619831731.db2.gz	XIHUOMKWVPNITK-GFCCVEGCSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C#Cc1cccc(N[C@@H]2CCC[C@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901452686	620885668	/nfs/dbraw/zinc/88/56/68/620885668.db2.gz	ZJVDEGTXTCTJLZ-GXTWGEPZSA-N	-1	0	293.313	3.359	20	30		CGEDRM
C=CC[C@H]1CC[C@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000901660374	620969650	/nfs/dbraw/zinc/96/96/50/620969650.db2.gz	BDVMCLCARWDASA-WFASDCNBSA-N	-1	0	259.349	3.470	20	30		CGEDRM
N#C[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CC2CCC1CC2	ZINC000901707232	621003424	/nfs/dbraw/zinc/00/34/24/621003424.db2.gz	ALQBKVGDQASVHV-FWXSHLFISA-N	-1	0	298.342	3.043	20	30		CGEDRM
C[C@@H]1COC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000905003254	622027620	/nfs/dbraw/zinc/02/76/20/622027620.db2.gz	PWTWPIJDENWFFL-ZYFUPFLOSA-N	-1	0	274.147	3.153	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000905006916	622027717	/nfs/dbraw/zinc/02/77/17/622027717.db2.gz	SCIIIXFKTKKGKP-UHFFFAOYSA-N	-1	0	275.348	3.488	20	30		CGEDRM
C[C@H]1[C@](C)(CN=Nc2ccc(CC(=O)[O-])cc2)[C@]1(F)Cl	ZINC000905483408	622077185	/nfs/dbraw/zinc/07/71/85/622077185.db2.gz	HLGUTDIXKXIBHA-HERUPUMHSA-N	-1	0	298.745	3.272	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3c2cccc3C(=O)[O-])CCC1	ZINC000907983046	622322352	/nfs/dbraw/zinc/32/23/52/622322352.db2.gz	SBPORAOODHGDDM-UHFFFAOYSA-N	-1	0	285.343	3.020	20	30		CGEDRM
C=CCCCN(CC)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000908220575	622333690	/nfs/dbraw/zinc/33/36/90/622333690.db2.gz	KBWLNRDZBFARKD-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000909725749	622419718	/nfs/dbraw/zinc/41/97/18/622419718.db2.gz	RIIRTFXFFNPZOY-ZDUSSCGKSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910301050	622472425	/nfs/dbraw/zinc/47/24/25/622472425.db2.gz	GKKBMWRGFNDQPZ-LSDHHAIUSA-N	-1	0	285.343	3.007	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1	ZINC000910369454	622479332	/nfs/dbraw/zinc/47/93/32/622479332.db2.gz	MEZHYRINWIOANQ-AWEZNQCLSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCC1	ZINC000910506458	622491301	/nfs/dbraw/zinc/49/13/01/622491301.db2.gz	PYBXTLPDOWREKQ-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-]	ZINC000910918740	622508310	/nfs/dbraw/zinc/50/83/10/622508310.db2.gz	OUHVWQUDENFUKF-GFCCVEGCSA-N	-1	0	299.729	3.018	20	30		CGEDRM
CCOC(=O)c1ccc(/C=C/C(=O)c2ccccc2[O-])o1	ZINC000156603911	622827207	/nfs/dbraw/zinc/82/72/07/622827207.db2.gz	PYVBRQFZUHHPNY-VQHVLOKHSA-N	-1	0	286.283	3.058	20	30		CGEDRM
COc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)CCO3)c1	ZINC000156688503	622834475	/nfs/dbraw/zinc/83/44/75/622834475.db2.gz	KVEHFCPJTPFFDN-GORDUTHDSA-N	-1	0	296.322	3.232	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NNC23CC(C2)C3)cc1Cl	ZINC000842546070	624040055	/nfs/dbraw/zinc/04/00/55/624040055.db2.gz	PIPVEMPRCBJHIW-UHFFFAOYSA-N	-1	0	271.147	3.175	20	30		CGEDRM
Cc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1C	ZINC000915955071	624079479	/nfs/dbraw/zinc/07/94/79/624079479.db2.gz	AAULXSWSDLOHOY-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])O2	ZINC000915989078	624095271	/nfs/dbraw/zinc/09/52/71/624095271.db2.gz	XEJCVEFFRPJIHL-AUWJEWJLSA-N	-1	0	297.266	3.225	20	30		CGEDRM
O=C([O-])c1cccc(NN=C2CCc3ccccc32)c1	ZINC000916255226	624125438	/nfs/dbraw/zinc/12/54/38/624125438.db2.gz	KTCKRDJELOALRF-UHFFFAOYSA-N	-1	0	266.300	3.147	20	30		CGEDRM
CC(=NNC(=S)NC(C)(C)C)c1cc(Cl)ccc1O	ZINC000916343550	624146731	/nfs/dbraw/zinc/14/67/31/624146731.db2.gz	HTJUFZOVTKTAKZ-UHFFFAOYSA-N	-1	0	299.827	3.032	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2ccccc2OCC(=O)[O-])c1	ZINC000916615089	624193927	/nfs/dbraw/zinc/19/39/27/624193927.db2.gz	LDMMZOGGGUPRQF-UHFFFAOYSA-N	-1	0	298.342	3.213	20	30		CGEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccccc1	ZINC000916868074	624220425	/nfs/dbraw/zinc/22/04/25/624220425.db2.gz	NCSYEBSDPYHFBK-INIZCTEOSA-N	-1	0	289.334	3.310	20	30		CGEDRM
CCCn1cccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000918151477	624337775	/nfs/dbraw/zinc/33/77/75/624337775.db2.gz	VWHYSTCRRMYLEU-UHFFFAOYSA-N	-1	0	271.320	3.042	20	30		CGEDRM
Cc1ccc(N(CCC#N)C(=O)c2c([O-])cccc2F)cc1	ZINC000184224649	625213270	/nfs/dbraw/zinc/21/32/70/625213270.db2.gz	SZIUCHFYNDBVSF-UHFFFAOYSA-N	-1	0	298.317	3.400	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CC1CCCCC1	ZINC000073838348	626070492	/nfs/dbraw/zinc/07/04/92/626070492.db2.gz	KHUXYMYUHONJTG-UHFFFAOYSA-N	-1	0	275.414	3.432	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1cccs1	ZINC000073838032	626070652	/nfs/dbraw/zinc/07/06/52/626070652.db2.gz	ZXFRSSQICDFIPB-BQYQJAHWSA-N	-1	0	287.406	3.236	20	30		CGEDRM
CCC(=NOC1CCCC1)c1ccc(C(=O)[O-])cc1	ZINC000774597256	626178407	/nfs/dbraw/zinc/17/84/07/626178407.db2.gz	SFLGNJIQVPAXPN-UHFFFAOYSA-N	-1	0	261.321	3.458	20	30		CGEDRM
COc1ccc(NN=C(C)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000750946007	626371198	/nfs/dbraw/zinc/37/11/98/626371198.db2.gz	LOQGKZSKYOITHJ-UHFFFAOYSA-N	-1	0	298.342	3.158	20	30		CGEDRM
CC1CC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000751890007	626409415	/nfs/dbraw/zinc/40/94/15/626409415.db2.gz	HZSBBIGEANCZCK-MKMNVTDBSA-N	-1	0	268.700	3.171	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)s1	ZINC000755586193	626629949	/nfs/dbraw/zinc/62/99/49/626629949.db2.gz	ZYQMSJFSFGNYHA-DUXPYHPUSA-N	-1	0	292.287	3.187	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccccc2C#N)ccc1O	ZINC000755593965	626630672	/nfs/dbraw/zinc/63/06/72/626630672.db2.gz	QSCXIIOAHDLYDS-TWGQIWQCSA-N	-1	0	263.296	3.468	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1c(O)cccc1Cl	ZINC000755599648	626631158	/nfs/dbraw/zinc/63/11/58/626631158.db2.gz	DIXBXGKLUAUOFU-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000756226597	626685171	/nfs/dbraw/zinc/68/51/71/626685171.db2.gz	VHFIPNCFHRHUBW-CJNGLKHVSA-N	-1	0	298.386	3.145	20	30		CGEDRM
Cc1cc(F)ccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000757471627	626781364	/nfs/dbraw/zinc/78/13/64/626781364.db2.gz	HQIMKKJGWAQQQU-XVNBXDOJSA-N	-1	0	272.275	3.441	20	30		CGEDRM
C/C=C(/C=C/C(=O)Nc1cc(C#N)ccc1[O-])CC	ZINC000759720619	626917768	/nfs/dbraw/zinc/91/77/68/626917768.db2.gz	PBNWTRIQSGKRFN-OEPKPEFXSA-N	-1	0	256.305	3.115	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC(c3ccc(F)cc3)C2)nc1	ZINC000763368462	627154267	/nfs/dbraw/zinc/15/42/67/627154267.db2.gz	OLQXTCCWGUVXKG-UHFFFAOYSA-N	-1	0	299.305	3.264	20	30		CGEDRM
COc1cccc(NN=C(C)c2cccc(C(=O)[O-])c2)c1	ZINC000764668698	627217115	/nfs/dbraw/zinc/21/71/15/627217115.db2.gz	BPELGUROTWIYTN-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1cccc(C(=O)[O-])c1	ZINC000764684248	627218537	/nfs/dbraw/zinc/21/85/37/627218537.db2.gz	VYUJBHNGXAMWNW-UHFFFAOYSA-N	-1	0	279.299	3.093	20	30		CGEDRM
CC(C)O[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000764901760	627232726	/nfs/dbraw/zinc/23/27/26/627232726.db2.gz	WYOKSCBOYRAHMQ-CQSZACIVSA-N	-1	0	290.363	3.376	20	30		CGEDRM
O=C(/C=C\c1nccs1)c1ccc([O-])c(Cl)c1	ZINC000768756803	627496778	/nfs/dbraw/zinc/49/67/78/627496778.db2.gz	NLFZDHPAOLHMEI-ARJAWSKDSA-N	-1	0	265.721	3.398	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000772990953	627838650	/nfs/dbraw/zinc/83/86/50/627838650.db2.gz	PTRYZFRBHPTJCZ-UHFFFAOYSA-N	-1	0	293.326	3.483	20	30		CGEDRM
CC(=NNc1ccc(F)cc1F)c1ccc(C(=O)[O-])o1	ZINC000772992178	627838743	/nfs/dbraw/zinc/83/87/43/627838743.db2.gz	ZAJWBCFYBSFBEO-UHFFFAOYSA-N	-1	0	280.230	3.092	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\COc3c(F)cccc3C2=O)c1	ZINC000774126270	627948056	/nfs/dbraw/zinc/94/80/56/627948056.db2.gz	ICCKZEORPMHGJU-XYOKQWHBSA-N	-1	0	298.269	3.183	20	30		CGEDRM
CC(=NNc1ccccc1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776722953	628226824	/nfs/dbraw/zinc/22/68/24/628226824.db2.gz	ZMWQBBLMIGCQCT-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
Cc1ccncc1CCCN=Nc1ccc(C(=O)[O-])cc1	ZINC000776722846	628226958	/nfs/dbraw/zinc/22/69/58/628226958.db2.gz	XYWYTIHSEZMBBW-UHFFFAOYSA-N	-1	0	283.331	3.119	20	30		CGEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1Cl	ZINC000779783047	628430344	/nfs/dbraw/zinc/43/03/44/628430344.db2.gz	KRDFMVFEKCLHSN-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
C#CCOc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1C=O	ZINC000874969460	634660893	/nfs/dbraw/zinc/66/08/93/634660893.db2.gz	APIJFSPLENZEQG-UHFFFAOYSA-N	-1	0	298.269	3.015	20	30		CGEDRM
O=C([O-])c1cc(N=NC[C@H]2CCSC2)ccc1Cl	ZINC000782111059	628616537	/nfs/dbraw/zinc/61/65/37/628616537.db2.gz	NAIBCNFPBPBAAN-MRVPVSSYSA-N	-1	0	284.768	3.189	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccccc2F)c1	ZINC000782200417	628624166	/nfs/dbraw/zinc/62/41/66/628624166.db2.gz	QWKOXDLSXLGSRK-AATRIKPKSA-N	-1	0	276.288	3.482	20	30		CGEDRM
Cc1ncsc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782200983	628624305	/nfs/dbraw/zinc/62/43/05/628624305.db2.gz	PACUKUCDAYGSQF-NSCUHMNNSA-N	-1	0	279.342	3.107	20	30		CGEDRM
COc1ccsc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782206704	628624685	/nfs/dbraw/zinc/62/46/85/628624685.db2.gz	JOTGVXTZFBGVBJ-IHWYPQMZSA-N	-1	0	294.353	3.413	20	30		CGEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(Cl)n1	ZINC000788698518	629074261	/nfs/dbraw/zinc/07/42/61/629074261.db2.gz	DOLRQBKZQKRAHN-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1coc(C)n1	ZINC000788941629	629090222	/nfs/dbraw/zinc/09/02/22/629090222.db2.gz	ZJNLDZXZNPQKIY-UHFFFAOYSA-N	-1	0	293.710	3.171	20	30		CGEDRM
CC[C@@H](NN=C(C)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000793079756	629408522	/nfs/dbraw/zinc/40/85/22/629408522.db2.gz	TVQMLVXOFPRCMU-MHCOZEDOSA-N	-1	0	278.396	3.032	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cc(C(=O)[O-])ccc1C	ZINC000793163895	629420649	/nfs/dbraw/zinc/42/06/49/629420649.db2.gz	NPHZVHANJOXPRY-SNVBAGLBSA-N	-1	0	263.337	3.480	20	30		CGEDRM
Cc1cccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)n1	ZINC000863160471	629485435	/nfs/dbraw/zinc/48/54/35/629485435.db2.gz	GJYJAVRYGGVHLA-OLZOCXBDSA-N	-1	0	289.379	3.315	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2CCC[C@H]2CCF)c1	ZINC000794855578	629589374	/nfs/dbraw/zinc/58/93/74/629589374.db2.gz	VIGHPLYTSYBRBI-JTQLQIEISA-N	-1	0	264.300	3.312	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000794941328	629603084	/nfs/dbraw/zinc/60/30/84/629603084.db2.gz	OCOVYINVSFSHQP-ARJAWSKDSA-N	-1	0	292.285	3.344	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC000864183239	629792861	/nfs/dbraw/zinc/79/28/61/629792861.db2.gz	IOOZVSXNZWACPJ-GFCCVEGCSA-N	-1	0	287.787	3.059	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1csc(C)c1	ZINC000796777484	629831708	/nfs/dbraw/zinc/83/17/08/629831708.db2.gz	GWNGQYKYLJKSKC-CYBMUJFWSA-N	-1	0	292.404	3.076	20	30		CGEDRM
CC(C)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccnc1	ZINC000797959280	630008606	/nfs/dbraw/zinc/00/86/06/630008606.db2.gz	HSRHQCWIVZEQJH-INIZCTEOSA-N	-1	0	295.342	3.037	20	30		CGEDRM
C#C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C	ZINC000798343335	630046137	/nfs/dbraw/zinc/04/61/37/630046137.db2.gz	DEIMIGSSTNLMBQ-BXRZMRDGSA-N	-1	0	280.711	3.031	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1cccc(C(=O)[O-])c1	ZINC000806559233	630567009	/nfs/dbraw/zinc/56/70/09/630567009.db2.gz	XKIBWQLFVONDPJ-VOTSOKGWSA-N	-1	0	284.315	3.058	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc(C(F)(F)F)[nH]2)c1	ZINC000807943251	630607983	/nfs/dbraw/zinc/60/79/83/630607983.db2.gz	DNXWEQNXTQAMRL-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)CC2	ZINC000811629125	631094029	/nfs/dbraw/zinc/09/40/29/631094029.db2.gz	KSUOAMYDBIJFHH-UHFFFAOYSA-N	-1	0	291.310	3.019	20	30		CGEDRM
Cc1cc(C)c(C(=O)/C=C\c2nc(C#N)cs2)c([O-])c1	ZINC000811691937	631110314	/nfs/dbraw/zinc/11/03/14/631110314.db2.gz	VDIXHLNEIIHYQW-ARJAWSKDSA-N	-1	0	284.340	3.233	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])cc1)C2	ZINC000811693482	631110501	/nfs/dbraw/zinc/11/05/01/631110501.db2.gz	ISPYUAOIZQQIDC-CHHVJCJISA-N	-1	0	289.290	3.079	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2ccc(F)cc2[O-])c(C(F)F)n1	ZINC000812243356	631231274	/nfs/dbraw/zinc/23/12/74/631231274.db2.gz	KBCUMTKZAHGVFA-DJWKRKHSSA-N	-1	0	296.248	3.099	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1c(F)cccc1F	ZINC000812441943	631261806	/nfs/dbraw/zinc/26/18/06/631261806.db2.gz	JTCWXSBVMOUCSZ-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOCC1CC1	ZINC000814245431	631559555	/nfs/dbraw/zinc/55/95/55/631559555.db2.gz	ZXQXZAMCQZGZJY-UHFFFAOYSA-N	-1	0	260.120	3.460	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C)nc1C	ZINC000814681160	631620961	/nfs/dbraw/zinc/62/09/61/631620961.db2.gz	ZOIQHFYADJQBLH-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc([N+](=O)[O-])cc1	ZINC000814683222	631621951	/nfs/dbraw/zinc/62/19/51/631621951.db2.gz	ZSPTVILVIVLDFD-UHFFFAOYSA-N	-1	0	291.307	3.028	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccccn2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814731883	631631408	/nfs/dbraw/zinc/63/14/08/631631408.db2.gz	NEDXJIYGPXSIHU-GHMZBOCLSA-N	-1	0	275.352	3.006	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccccn2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814731884	631631497	/nfs/dbraw/zinc/63/14/97/631631497.db2.gz	NEDXJIYGPXSIHU-MNOVXSKESA-N	-1	0	275.352	3.006	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CC[C@@H]1C1CCC1	ZINC000814768373	631635585	/nfs/dbraw/zinc/63/55/85/631635585.db2.gz	TZISZYLJEUXDEI-LLVKDONJSA-N	-1	0	258.321	3.363	20	30		CGEDRM
C=CCCC(CCC)=NNc1cnnc([O-])c1Cl	ZINC000814783267	631638561	/nfs/dbraw/zinc/63/85/61/631638561.db2.gz	ZNJFWJJUAXVQJO-UHFFFAOYSA-N	-1	0	268.748	3.370	20	30		CGEDRM
C[C@H]1C(=NOCc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814791407	631639705	/nfs/dbraw/zinc/63/97/05/631639705.db2.gz	GLVAKPZGJHREJP-DGCLKSJQSA-N	-1	0	261.321	3.080	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cc(F)c(F)cc2F)c1	ZINC000814851852	631655992	/nfs/dbraw/zinc/65/59/92/631655992.db2.gz	YFCURGRSAMWWQA-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
C[C@@H]1C(=NNCc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814887700	631665955	/nfs/dbraw/zinc/66/59/55/631665955.db2.gz	KVUKNIQIFWXKPC-OCCSQVGLSA-N	-1	0	288.391	3.289	20	30		CGEDRM
CC(C)(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CS1	ZINC000814889926	631667013	/nfs/dbraw/zinc/66/70/13/631667013.db2.gz	DTNQJLUEZXOTLV-NSHDSACASA-N	-1	0	293.392	3.099	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCCC(C)(C)C	ZINC000814902248	631672211	/nfs/dbraw/zinc/67/22/11/631672211.db2.gz	PXLQAMJKZJBWFB-UHFFFAOYSA-N	-1	0	254.374	3.033	20	30		CGEDRM
C[C@@H]1CC(=NOC2CCCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814908718	631677287	/nfs/dbraw/zinc/67/72/87/631677287.db2.gz	ANHNBBJALZPIJH-MFKMUULPSA-N	-1	0	253.342	3.213	20	30		CGEDRM
CC(=NNC1CCCCC1)c1csc(C(=O)[O-])c1	ZINC000814910357	631677965	/nfs/dbraw/zinc/67/79/65/631677965.db2.gz	UJRFBXUPSABYNG-UHFFFAOYSA-N	-1	0	266.366	3.093	20	30		CGEDRM
C[C@@H]1C(=NN[C@H]2CCCCC2(C)C)CC[C@H]1CC(=O)[O-]	ZINC000814917062	631681055	/nfs/dbraw/zinc/68/10/55/631681055.db2.gz	HIQZEXRKSWWSKC-OBJOEFQTSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CSCCON=C(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814922014	631682787	/nfs/dbraw/zinc/68/27/87/631682787.db2.gz	PEXLUGKJAFZPKA-SNVBAGLBSA-N	-1	0	261.387	3.023	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(F)n2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814928169	631686432	/nfs/dbraw/zinc/68/64/32/631686432.db2.gz	ZHTLJXQHXHAKAA-NXEZZACHSA-N	-1	0	293.342	3.146	20	30		CGEDRM
CC(=NOCCC1CC1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814941741	631694959	/nfs/dbraw/zinc/69/49/59/631694959.db2.gz	SJZZOCSAKXIGDB-GFCCVEGCSA-N	-1	0	291.347	3.079	20	30		CGEDRM
C[C@H]1CCCC[C@H]1CN=Nc1cccc(-c2nn[nH]n2)c1	ZINC000824939914	633307810	/nfs/dbraw/zinc/30/78/10/633307810.db2.gz	XZVTZGRZTXSBNP-AAEUAGOBSA-N	-1	0	284.367	3.091	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000825659824	633371103	/nfs/dbraw/zinc/37/11/03/633371103.db2.gz	HGSGKZFPGBPJNS-CQSZACIVSA-N	-1	0	299.370	3.360	20	30		CGEDRM
C#CCCCCCOC(=O)c1c(F)cc([O-])cc1F	ZINC000869406505	633439616	/nfs/dbraw/zinc/43/96/16/633439616.db2.gz	UXXZHJIXXHAACD-UHFFFAOYSA-N	-1	0	268.259	3.021	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2coc(C#N)c2)s1	ZINC000870340763	633560923	/nfs/dbraw/zinc/56/09/23/633560923.db2.gz	YMKDUQCQJXIHEU-LLVKDONJSA-N	-1	0	299.355	3.395	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=NC1CCC(C)(C)CC1	ZINC000872395396	634130532	/nfs/dbraw/zinc/13/05/32/634130532.db2.gz	KVGPRVRSJSVJRJ-NWDGAFQWSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CSC(C)(C)CCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008385	634312331	/nfs/dbraw/zinc/31/23/31/634312331.db2.gz	ILHFMYYBKKBSDT-UHFFFAOYSA-N	-1	0	284.356	3.453	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCCSC2)cc1F	ZINC000835008318	634312426	/nfs/dbraw/zinc/31/24/26/634312426.db2.gz	FJNMIHNGIYPYFK-VIFPVBQESA-N	-1	0	282.340	3.065	20	30		CGEDRM
C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])nc2)[C@@H]1C	ZINC000835007533	634312499	/nfs/dbraw/zinc/31/24/99/634312499.db2.gz	XGCUNBOUYBSUBU-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCCSC2)c(F)c1	ZINC000835008197	634312901	/nfs/dbraw/zinc/31/29/01/634312901.db2.gz	HBMCCQKXJQZVEJ-SECBINFHSA-N	-1	0	282.340	3.065	20	30		CGEDRM
CCCCC(COC)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012508	634316184	/nfs/dbraw/zinc/31/61/84/634316184.db2.gz	QVXXQOXTKYEGHB-UHFFFAOYSA-N	-1	0	282.315	3.128	20	30		CGEDRM
C[C@H](F)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707293	635037618	/nfs/dbraw/zinc/03/76/18/635037618.db2.gz	UNHGVKASSXXJGC-GYXDYACRSA-N	-1	0	274.679	3.121	20	30		CGEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000843268010	635628705	/nfs/dbraw/zinc/62/87/05/635628705.db2.gz	GCSLHCWEMRCTJS-FPLPWBNLSA-N	-1	0	270.332	3.141	20	30		CGEDRM
C#CC1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1	ZINC000844046569	635809963	/nfs/dbraw/zinc/80/99/63/635809963.db2.gz	BYUMCBBDGZBPCF-UHFFFAOYSA-N	-1	0	298.169	3.184	20	30		CGEDRM
CS[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000844271146	635852078	/nfs/dbraw/zinc/85/20/78/635852078.db2.gz	NEMGMZLGDCHHSW-FOUVODNDSA-N	-1	0	294.376	3.394	20	30		CGEDRM
Cc1c(N=NC2CC[C@@H]2C2CC2)cccc1C(=O)[O-]	ZINC000844622248	635944966	/nfs/dbraw/zinc/94/49/66/635944966.db2.gz	BCNSHVMBPMATKJ-GFCCVEGCSA-N	-1	0	258.321	3.281	20	30		CGEDRM
CCCCCCCCCS(=O)(=O)[N-]c1ccon1	ZINC000844825529	635971617	/nfs/dbraw/zinc/97/16/17/635971617.db2.gz	MBXUWJUCHBUTRN-UHFFFAOYSA-N	-1	0	274.386	3.167	20	30		CGEDRM
C=C(C)CONC(=O)CC[C@H]1CCc2ccccc21	ZINC000880547818	636018588	/nfs/dbraw/zinc/01/85/88/636018588.db2.gz	DFCTWKWAEVIQFQ-CQSZACIVSA-N	-1	0	259.349	3.121	20	30		CGEDRM
C=C[C@@H](C)ONC(=O)CC[C@@H]1CCc2ccccc21	ZINC000880548763	636019254	/nfs/dbraw/zinc/01/92/54/636019254.db2.gz	BTZBCIMPIXDQQS-OCCSQVGLSA-N	-1	0	259.349	3.119	20	30		CGEDRM
CC[C@H]1CCC[C@@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000881299834	636095044	/nfs/dbraw/zinc/09/50/44/636095044.db2.gz	XRQMSAWYVIPSLR-XJKSGUPXSA-N	-1	0	272.348	3.185	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)Oc1ccccc1Cl	ZINC000846537914	636195009	/nfs/dbraw/zinc/19/50/09/636195009.db2.gz	QFJBUOBLPXLUNC-GFCCVEGCSA-N	-1	0	283.755	3.121	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC(C)C)c1ccccc1	ZINC000846537035	636195205	/nfs/dbraw/zinc/19/52/05/636195205.db2.gz	GJWSLDJNNYJTRK-HNNXBMFYSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)COc1cc(C)ccc1C(C)C	ZINC000846541944	636197150	/nfs/dbraw/zinc/19/71/50/636197150.db2.gz	QILUYYQQVVLWOT-ZDUSSCGKSA-N	-1	0	277.364	3.120	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](OC1CCCC1)c1ccccc1	ZINC000846550278	636200479	/nfs/dbraw/zinc/20/04/79/636200479.db2.gz	MBWOVYILIRUDKV-BBRMVZONSA-N	-1	0	289.375	3.309	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1Cl	ZINC000846551185	636201194	/nfs/dbraw/zinc/20/11/94/636201194.db2.gz	TYJLJCAFXKBUOF-GHMZBOCLSA-N	-1	0	283.755	3.038	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1	ZINC000129509638	636289850	/nfs/dbraw/zinc/28/98/50/636289850.db2.gz	PWDIIZACMWXRJM-KRXBUXKQSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCC(CC)(C/N=C/c1cc(Cl)ccc1O)C(=O)OC	ZINC000129578258	636311925	/nfs/dbraw/zinc/31/19/25/636311925.db2.gz	TWVHOODNHIHLRY-RQZCQDPDSA-N	-1	0	297.782	3.444	20	30		CGEDRM
C[C@H]1CC[C@H](CN=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414225	636570493	/nfs/dbraw/zinc/57/04/93/636570493.db2.gz	LGBUQRLJPWGGOS-AAEUAGOBSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CC(C)C(N=Nc1ccc(CC(=O)[O-])cc1)C1CC1	ZINC000848414634	636570513	/nfs/dbraw/zinc/57/05/13/636570513.db2.gz	ARMSCLQKTCIWEV-UHFFFAOYSA-N	-1	0	260.337	3.148	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1	ZINC000848414091	636570661	/nfs/dbraw/zinc/57/06/61/636570661.db2.gz	JAVHEVSURHJQQL-SNPRPXQTSA-N	-1	0	284.359	3.314	20	30		CGEDRM
CC(C)(C#N)[C@@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415161	636571639	/nfs/dbraw/zinc/57/16/39/636571639.db2.gz	YDRHETXPIRVNHN-CQSZACIVSA-N	-1	0	299.374	3.431	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000887327884	637799027	/nfs/dbraw/zinc/79/90/27/637799027.db2.gz	BGGBBXCNPLHXOU-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
Cc1c(N=NC2CCCC23CC3)cccc1C(=O)[O-]	ZINC000853370647	637826854	/nfs/dbraw/zinc/82/68/54/637826854.db2.gz	SDLWISDXWABHGW-UHFFFAOYSA-N	-1	0	258.321	3.425	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1cc(Cl)cc(F)c1[O-]	ZINC000853379221	637828885	/nfs/dbraw/zinc/82/88/85/637828885.db2.gz	HDPIBAHHGMYEAB-SECBINFHSA-N	-1	0	270.735	3.393	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1Cl	ZINC000856030818	638287396	/nfs/dbraw/zinc/28/73/96/638287396.db2.gz	SFIMDVSKECVNBM-LLVKDONJSA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccccc1Cl	ZINC000856031526	638287421	/nfs/dbraw/zinc/28/74/21/638287421.db2.gz	SPHZCMUVDUMVRN-UHFFFAOYSA-N	-1	0	267.756	3.242	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407521	640052914	/nfs/dbraw/zinc/05/29/14/640052914.db2.gz	DCSUNMJKYABHDY-UHFFFAOYSA-N	-1	0	277.345	3.285	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c(F)c1	ZINC000075039973	640116190	/nfs/dbraw/zinc/11/61/90/640116190.db2.gz	LKVIHDVJHHVUFQ-NSHDSACASA-N	-1	0	297.351	3.136	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccccc1C#N	ZINC001250580920	805705763	/nfs/dbraw/zinc/70/57/63/805705763.db2.gz	HODKQEBWELXIMD-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#Cc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001250590593	805711359	/nfs/dbraw/zinc/71/13/59/805711359.db2.gz	PUDZYWOZEOYCKF-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ccc1C#N	ZINC001211658351	814927447	/nfs/dbraw/zinc/92/74/47/814927447.db2.gz	MAFLZYVBIQYYFG-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(Nc2c(O)cccc2C#N)ccc1C(=O)[O-]	ZINC001211660776	814928441	/nfs/dbraw/zinc/92/84/41/814928441.db2.gz	KUVDVTHDXQPSAN-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
C=CCCCCCC[C@@H](O)CNc1cc(=O)[n-]c(Cl)n1	ZINC001253232501	806187004	/nfs/dbraw/zinc/18/70/04/806187004.db2.gz	PDNZXIJAKWOBMY-LLVKDONJSA-N	-1	0	299.802	3.135	20	30		CGEDRM
C#C[C@@H](C)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC001161210151	806358098	/nfs/dbraw/zinc/35/80/98/806358098.db2.gz	BFUIBHPFNWIRGQ-LLVKDONJSA-N	-1	0	299.757	3.464	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000125671557	799002802	/nfs/dbraw/zinc/00/28/02/799002802.db2.gz	UICCUZNKONYDSR-HNNXBMFYSA-N	-1	0	286.375	3.014	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)s1	ZINC000125562450	799002807	/nfs/dbraw/zinc/00/28/07/799002807.db2.gz	GWLAVDCJUQXRTE-GFCCVEGCSA-N	-1	0	292.404	3.076	20	30		CGEDRM
O=C1c2cc(F)ccc2C/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000176411205	799096052	/nfs/dbraw/zinc/09/60/52/799096052.db2.gz	GRRPZLHICCMXIE-WZUFQYTHSA-N	-1	0	299.257	3.262	20	30		CGEDRM
O=C1c2ccc(O)cc2O/C1=C/c1ccc([O-])c(Cl)c1	ZINC000214127087	799133820	/nfs/dbraw/zinc/13/38/20/799133820.db2.gz	RBVARNPXGXGQSB-MKMNVTDBSA-N	-1	0	288.686	3.367	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1F	ZINC000218269423	799135607	/nfs/dbraw/zinc/13/56/07/799135607.db2.gz	GXTYEBAPAVBLBJ-KXFIGUGUSA-N	-1	0	288.274	3.142	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cnn(C(C)C)c2)c([O-])c1	ZINC000255554634	799171995	/nfs/dbraw/zinc/17/19/95/799171995.db2.gz	RQPFPCJEFGUCOJ-ALCCZGGFSA-N	-1	0	270.332	3.374	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC000397034896	799513177	/nfs/dbraw/zinc/51/31/77/799513177.db2.gz	NAQZMWVAAYZJNU-KBPBESRZSA-N	-1	0	283.412	3.449	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000398034960	799525882	/nfs/dbraw/zinc/52/58/82/799525882.db2.gz	MHYNZLJONSTDFG-KBPBESRZSA-N	-1	0	296.411	3.160	20	30		CGEDRM
N#Cc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000588598965	799720123	/nfs/dbraw/zinc/72/01/23/799720123.db2.gz	LPMMEDPDKKHRKT-WAYWQWQTSA-N	-1	0	255.298	3.221	20	30		CGEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809157035	800414764	/nfs/dbraw/zinc/41/47/64/800414764.db2.gz	PVLATQFPRZDZQS-DOQDJBIESA-N	-1	0	294.306	3.474	20	30		CGEDRM
COc1cc(O)ccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC001116252321	802318144	/nfs/dbraw/zinc/31/81/44/802318144.db2.gz	BHUDJJCFZJEZPY-XVNBXDOJSA-N	-1	0	288.274	3.142	20	30		CGEDRM
C[C@H]1CC(=NNCc2ccccc2Cl)CC[C@@H]1C(=O)[O-]	ZINC001117742463	802483772	/nfs/dbraw/zinc/48/37/72/802483772.db2.gz	REHKWQHPQHWSEM-GWCFXTLKSA-N	-1	0	294.782	3.306	20	30		CGEDRM
COC(=O)c1ccc(-c2c([O-])cccc2Cl)c(C#N)c1	ZINC001244033802	803153453	/nfs/dbraw/zinc/15/34/53/803153453.db2.gz	RAXPTYVHBSJILO-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)c([O-])c(F)c1)CCCC2	ZINC001244094408	803182550	/nfs/dbraw/zinc/18/25/50/803182550.db2.gz	FKUIUQFIOOXGDT-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(Cl)cc2[O-])n1	ZINC001244468211	803384628	/nfs/dbraw/zinc/38/46/28/803384628.db2.gz	KBLWLORAMDGRIQ-UHFFFAOYSA-N	-1	0	258.708	3.482	20	30		CGEDRM
N#Cc1cnc(-c2cc(F)c([O-])c(Cl)c2)c(F)c1	ZINC001244501737	803407234	/nfs/dbraw/zinc/40/72/34/803407234.db2.gz	VMEAPEFAUZFIOC-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cnc(-c2cc(C(=O)[O-])c(Cl)cc2F)c(C#N)c1	ZINC001244609794	803463167	/nfs/dbraw/zinc/46/31/67/803463167.db2.gz	DLXLNEFABSVKHF-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cc(C(=O)[O-])c(Cl)cc2F)n1	ZINC001244609760	803463423	/nfs/dbraw/zinc/46/34/23/803463423.db2.gz	CCHBOKJKKGKCEK-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244610967	803464236	/nfs/dbraw/zinc/46/42/36/803464236.db2.gz	VNJWJJAAMZGYHN-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1cnccc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244613658	803464793	/nfs/dbraw/zinc/46/47/93/803464793.db2.gz	PMAUQUDORAVWPO-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1c2ccccc2cnc1-c1cnc(F)c(C(=O)[O-])c1	ZINC001244750998	803519449	/nfs/dbraw/zinc/51/94/49/803519449.db2.gz	CLCJVOYYAYKPPF-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cc(-c2cnc(F)c(C(=O)[O-])c2)cc(C)c1C#N	ZINC001244753153	803519870	/nfs/dbraw/zinc/51/98/70/803519870.db2.gz	MXIYOZNOTAVDBS-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1c(-c2cnc(F)c(C(=O)[O-])c2)ccc2ncccc21	ZINC001244754870	803520879	/nfs/dbraw/zinc/52/08/79/803520879.db2.gz	MVUUPMUXXHAQQX-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
C[C@H](C#N)c1ccc(-c2cc(C(=O)[O-])cnc2F)cc1	ZINC001244762974	803523140	/nfs/dbraw/zinc/52/31/40/803523140.db2.gz	SSHLCCSHHMTKJW-SECBINFHSA-N	-1	0	270.263	3.213	20	30		CGEDRM
Cc1cc(-c2cc(CC#N)ccn2)cc(C)c1C(=O)[O-]	ZINC001244944557	803586023	/nfs/dbraw/zinc/58/60/23/803586023.db2.gz	JSLOJFNBYTXIQR-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cnc2ccc(C#N)cc2n1	ZINC001245300003	803694984	/nfs/dbraw/zinc/69/49/84/803694984.db2.gz	JCTXKENRKGYUEY-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2C)c(CC#N)c1	ZINC001245301852	803696342	/nfs/dbraw/zinc/69/63/42/803696342.db2.gz	XSYVYPIYAKGDOO-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
CO/N=C/c1cc(-c2cccc(C(=O)[O-])c2C)ccc1F	ZINC001245303515	803697119	/nfs/dbraw/zinc/69/71/19/803697119.db2.gz	NRXDCOZKPPWHDH-GIJQJNRQSA-N	-1	0	287.290	3.480	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])cc2Cl)nc1F	ZINC001245371465	803717085	/nfs/dbraw/zinc/71/70/85/803717085.db2.gz	WHXPYMYYKYZXDP-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2Cl)c(C#N)c1	ZINC001245371709	803717277	/nfs/dbraw/zinc/71/72/77/803717277.db2.gz	QGJJPXRJDZZEJR-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c(F)cncc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245372359	803718010	/nfs/dbraw/zinc/71/80/10/803718010.db2.gz	BFPVNWCEODZRSZ-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211960489	814961620	/nfs/dbraw/zinc/96/16/20/814961620.db2.gz	CIENOJVVGDJPIW-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(O)c1	ZINC001211966578	814962722	/nfs/dbraw/zinc/96/27/22/814962722.db2.gz	FWVWMDZCTRZEBG-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cc(Cl)c([O-])cc1F	ZINC001245667382	803896182	/nfs/dbraw/zinc/89/61/82/803896182.db2.gz	FIANMTVWQCIMJF-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[nH]1	ZINC001245952106	804085585	/nfs/dbraw/zinc/08/55/85/804085585.db2.gz	PAOITNHIKZEZLR-UHFFFAOYSA-N	-1	0	296.248	3.042	20	30		CGEDRM
Cc1c(N)c(F)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001249642333	805198402	/nfs/dbraw/zinc/19/84/02/805198402.db2.gz	OAAVVDJJVBTOAB-UHFFFAOYSA-N	-1	0	275.258	3.176	20	30		CGEDRM
C=C(C)C[N@@H+](CC)Cc1ccc(F)c(C(=O)[O-])c1F	ZINC001249777824	805241297	/nfs/dbraw/zinc/24/12/97/805241297.db2.gz	ZSOZZLOFTXNOTA-UHFFFAOYSA-N	-1	0	269.291	3.061	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cccc([O-])c1F	ZINC001212551574	815064745	/nfs/dbraw/zinc/06/47/45/815064745.db2.gz	YPMMFIFIHGBUCD-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249961925	805329427	/nfs/dbraw/zinc/32/94/27/805329427.db2.gz	ZMRIFOYIRNNQRC-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2ccc(Cl)c([O-])c2F)cc1	ZINC001250209418	805492310	/nfs/dbraw/zinc/49/23/10/805492310.db2.gz	WGRJGNQVMCNXIA-UHFFFAOYSA-N	-1	0	289.693	3.482	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C1CC1	ZINC001258190963	807350467	/nfs/dbraw/zinc/35/04/67/807350467.db2.gz	ONGDNHTUSKFMPG-UHFFFAOYSA-N	-1	0	298.367	3.236	20	30		CGEDRM
Cc1ccc(C(=NO)Nc2cc(F)ccc2[S-])nc1	ZINC001169411727	807639640	/nfs/dbraw/zinc/63/96/40/807639640.db2.gz	VRUPROBIFOHOKI-UHFFFAOYSA-N	-1	0	277.324	3.066	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccsc2C#N)c1C	ZINC001260992048	807708279	/nfs/dbraw/zinc/70/82/79/807708279.db2.gz	FEHUCQVCWHQNGN-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC(C)(O)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001174405520	809000200	/nfs/dbraw/zinc/00/02/00/809000200.db2.gz	JBAQQYUGKWHLID-UHFFFAOYSA-N	-1	0	274.345	3.296	20	30		CGEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1C#N	ZINC001174504734	809052966	/nfs/dbraw/zinc/05/29/66/809052966.db2.gz	HEHOMTRNKLYKDA-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001174834415	809176154	/nfs/dbraw/zinc/17/61/54/809176154.db2.gz	BMRODUYCLLWAPF-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
COc1cc(F)c(Nc2scc([O-])c2C#N)cc1F	ZINC001174926319	809203044	/nfs/dbraw/zinc/20/30/44/809203044.db2.gz	XMRGQZPGEBXBBB-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)cc2N)ccc1[S-]	ZINC001213368078	815270782	/nfs/dbraw/zinc/27/07/82/815270782.db2.gz	WZVGAHMOTSDAQF-UHFFFAOYSA-N	-1	0	271.345	3.181	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C#N)cccc1C#N	ZINC001174982136	809224717	/nfs/dbraw/zinc/22/47/17/809224717.db2.gz	LWSZTFMUWHBKCZ-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
COc1cc(F)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175010996	809238537	/nfs/dbraw/zinc/23/85/37/809238537.db2.gz	VPNHCASJEPUKDK-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175215335	809311495	/nfs/dbraw/zinc/31/14/95/809311495.db2.gz	FZGSHRQJMHNCEK-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001175221632	809313978	/nfs/dbraw/zinc/31/39/78/809313978.db2.gz	KBIIXWNUQKBLCE-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175322059	809353722	/nfs/dbraw/zinc/35/37/22/809353722.db2.gz	SBMUJKNZZSPXFU-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
N#Cc1c(F)c(F)cc(Nc2cccc(C(=O)[O-])c2)c1F	ZINC001175334961	809359713	/nfs/dbraw/zinc/35/97/13/809359713.db2.gz	OBENHXPRBPQWOC-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2)cc1F	ZINC001175334470	809359856	/nfs/dbraw/zinc/35/98/56/809359856.db2.gz	FVSGNQQFDNCSMI-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COCCOc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001175785966	809542151	/nfs/dbraw/zinc/54/21/51/809542151.db2.gz	JSWFNUQXJQFGCE-UHFFFAOYSA-N	-1	0	290.344	3.094	20	30		CGEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)cc1F	ZINC001176439295	809698440	/nfs/dbraw/zinc/69/84/40/809698440.db2.gz	NWXLPAJXWRKRNT-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#CCc1ccccc1Nc1csc(C(=O)[O-])c1	ZINC001176439396	809698667	/nfs/dbraw/zinc/69/86/67/809698667.db2.gz	UTLPRXPFIYLXQH-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
N#Cc1ccccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176593191	809726381	/nfs/dbraw/zinc/72/63/81/809726381.db2.gz	UPSZQYQYSNGIEA-JXMROGBWSA-N	-1	0	264.284	3.400	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176679772	809740836	/nfs/dbraw/zinc/74/08/36/809740836.db2.gz	MJDHLMLYDKSGSH-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#Cc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1O	ZINC001176673355	809741061	/nfs/dbraw/zinc/74/10/61/809741061.db2.gz	TXRSLBXKEKVFHK-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
C[C@@H](C#N)c1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1	ZINC001184245286	810185030	/nfs/dbraw/zinc/18/50/30/810185030.db2.gz	NTZLQFBQFQWWKJ-ZDUSSCGKSA-N	-1	0	293.346	3.302	20	30		CGEDRM
CCCCN(O)C(=O)Cc1cccc(C(F)(F)F)c1	ZINC001184314650	810190684	/nfs/dbraw/zinc/19/06/84/810190684.db2.gz	DZHJITCFIUCWIB-UHFFFAOYSA-N	-1	0	275.270	3.266	20	30		CGEDRM
C[C@@H](NC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC001185023064	810229647	/nfs/dbraw/zinc/22/96/47/810229647.db2.gz	CUKNBJCXSHAVNV-LLVKDONJSA-N	-1	0	281.315	3.147	20	30		CGEDRM
Cc1ccc(F)c(NC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001185258367	810249727	/nfs/dbraw/zinc/24/97/27/810249727.db2.gz	VZSNQKGTIFRESW-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1c(C)noc1C	ZINC001187994889	810439533	/nfs/dbraw/zinc/43/95/33/810439533.db2.gz	SYGQJVWPTLWLGA-UHFFFAOYSA-N	-1	0	288.413	3.394	20	30		CGEDRM
Cc1cccc([O-])c1C(=O)Nc1c(C#N)ccc(F)c1F	ZINC001188655746	810500856	/nfs/dbraw/zinc/50/08/56/810500856.db2.gz	ZIIVPRRPKYGMRR-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1csc(C#N)c1	ZINC001214273556	815392986	/nfs/dbraw/zinc/39/29/86/815392986.db2.gz	FDMOKNXBOSLDJT-UHFFFAOYSA-N	-1	0	288.328	3.460	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2ccccc2C(F)F)c1[O-]	ZINC001193646361	810926983	/nfs/dbraw/zinc/92/69/83/810926983.db2.gz	HWKHBYUACKFRGC-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
Cc1ccccc1NC(=S)Nc1cc(C#N)ccc1[O-]	ZINC001198428391	811503011	/nfs/dbraw/zinc/50/30/11/811503011.db2.gz	BZEZCQCMZSGXOF-UHFFFAOYSA-N	-1	0	283.356	3.381	20	30		CGEDRM
Cc1cc(CO)cc(C)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001214959706	815469533	/nfs/dbraw/zinc/46/95/33/815469533.db2.gz	PEEDMRROQYDMNZ-UHFFFAOYSA-N	-1	0	286.306	3.256	20	30		CGEDRM
N#Cc1ccc(Cl)cc1Nc1cc(C(=O)[O-])cnc1F	ZINC001215131590	815486929	/nfs/dbraw/zinc/48/69/29/815486929.db2.gz	HSOPZFPHYUVXJS-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2F)c1F	ZINC001215276343	815501496	/nfs/dbraw/zinc/50/14/96/815501496.db2.gz	DSPGMHXCKGZOJO-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cccc(NC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001202315455	812063308	/nfs/dbraw/zinc/06/33/08/812063308.db2.gz	HNEPQUSXVRAZRT-UHFFFAOYSA-N	-1	0	267.288	3.216	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2ccc(F)cc2)c1	ZINC001202354862	812071810	/nfs/dbraw/zinc/07/18/10/812071810.db2.gz	ONTOEAMCCUVTLW-UHFFFAOYSA-N	-1	0	271.251	3.047	20	30		CGEDRM
C=CCNC(=O)Nc1cc(C(F)(F)F)ccc1[S-]	ZINC001202570865	812125583	/nfs/dbraw/zinc/12/55/83/812125583.db2.gz	VVUZCRMBMJPZEI-UHFFFAOYSA-N	-1	0	276.283	3.302	20	30		CGEDRM
COc1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC001202728077	812159326	/nfs/dbraw/zinc/15/93/26/812159326.db2.gz	WOGYWWPNZPVTRS-UHFFFAOYSA-N	-1	0	297.314	3.225	20	30		CGEDRM
Cc1nnc(-c2ccc(Nc3scc([O-])c3C#N)cc2)o1	ZINC001203088261	812238081	/nfs/dbraw/zinc/23/80/81/812238081.db2.gz	KGFVPAINEUZGRX-UHFFFAOYSA-N	-1	0	298.327	3.427	20	30		CGEDRM
Cc1cc(O)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001215519602	815528418	/nfs/dbraw/zinc/52/84/18/815528418.db2.gz	HVVIZKPXEVTBRW-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
N#CCCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1	ZINC001204152636	812557342	/nfs/dbraw/zinc/55/73/42/812557342.db2.gz	MBWGRJGKYHVEJY-UHFFFAOYSA-N	-1	0	294.354	3.301	20	30		CGEDRM
N#Cc1ccncc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215695307	815560313	/nfs/dbraw/zinc/56/03/13/815560313.db2.gz	LUPRNXRFGHOTEW-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1ccc(-c2ccsc2C(=O)[O-])c(CC#N)c1	ZINC001205586869	813013693	/nfs/dbraw/zinc/01/36/93/813013693.db2.gz	UMWWDPCAVNLOSN-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cc(F)c(F)c(C(=O)[O-])c3)cc12	ZINC001206045611	813180424	/nfs/dbraw/zinc/18/04/24/813180424.db2.gz	VBHRYTVWTXEGEU-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
C#Cc1cccc(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209889801	814189691	/nfs/dbraw/zinc/18/96/91/814189691.db2.gz	UNSKXBQGHVHDHE-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001209889054	814189774	/nfs/dbraw/zinc/18/97/74/814189774.db2.gz	JPTRFPBPRCNZMK-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#CCc1ccccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890670	814190828	/nfs/dbraw/zinc/19/08/28/814190828.db2.gz	SDAIQIKQUNYOFT-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
COc1ccc(Nc2sccc2C#N)cc1C(=O)[O-]	ZINC001209897424	814192856	/nfs/dbraw/zinc/19/28/56/814192856.db2.gz	WMCHCOVAFYEWPK-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(Nc2sc(C)cc2C#N)cc1C(=O)[O-]	ZINC001209896413	814193022	/nfs/dbraw/zinc/19/30/22/814193022.db2.gz	GSTLRYUGPRVHJU-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210070296	814273387	/nfs/dbraw/zinc/27/33/87/814273387.db2.gz	CDMNINBRNVTGLJ-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1cc(C#N)ccc1[N-]c1noc(C(C)(C)C)n1	ZINC001210371933	814428043	/nfs/dbraw/zinc/42/80/43/814428043.db2.gz	ZPTIJGVFCAHXIC-UHFFFAOYSA-N	-1	0	256.309	3.291	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210394657	814442187	/nfs/dbraw/zinc/44/21/87/814442187.db2.gz	FTDLKXMLABMTNK-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
CSc1ncc(Nc2scc([O-])c2C#N)cc1C	ZINC001215827735	815607605	/nfs/dbraw/zinc/60/76/05/815607605.db2.gz	KEGZSQIEMMXJRX-UHFFFAOYSA-N	-1	0	277.374	3.494	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])c([O-])cc1F	ZINC001210953927	814691007	/nfs/dbraw/zinc/69/10/07/814691007.db2.gz	SHZJJCGCWQZYNJ-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cccc(C(=O)[O-])c1OC	ZINC001211037552	814715396	/nfs/dbraw/zinc/71/53/96/814715396.db2.gz	MTUXAEYWKBRDOY-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1C#N	ZINC001211545293	814905707	/nfs/dbraw/zinc/90/57/07/814905707.db2.gz	WYGCHEQRAFEBAR-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cncc(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242849075	823152219	/nfs/dbraw/zinc/15/22/19/823152219.db2.gz	KXVXMMGORGXWEA-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
C/C(=N\C#N)N(C)Cc1ccc(-c2cccc([S-])c2)nc1	ZINC001242865432	823157745	/nfs/dbraw/zinc/15/77/45/823157745.db2.gz	FLEIAXIPKZTGES-XDHOZWIPSA-N	-1	0	296.399	3.369	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cccc([S-])c1	ZINC001242865773	823158089	/nfs/dbraw/zinc/15/80/89/823158089.db2.gz	BHCLBNDQBOZPPT-UHFFFAOYSA-N	-1	0	263.325	3.457	20	30		CGEDRM
Cc1c(Nc2ccc(C#N)c(C#N)c2)cccc1C(=O)[O-]	ZINC001216661401	815888708	/nfs/dbraw/zinc/88/87/08/815888708.db2.gz	HQJDFKIFWJZTCS-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2C)cc1	ZINC001216661719	815889106	/nfs/dbraw/zinc/88/91/06/815889106.db2.gz	PBZKTZDWDXZUTJ-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216681759	815892155	/nfs/dbraw/zinc/89/21/55/815892155.db2.gz	WPYOLGLNKUHJJA-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(F)c(CC#N)c1	ZINC001242923666	823173685	/nfs/dbraw/zinc/17/36/85/823173685.db2.gz	OYWUBYGEYBAZRR-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3c(F)cc(C(=O)[O-])cc3F)ccc12	ZINC001222386349	816427400	/nfs/dbraw/zinc/42/74/00/816427400.db2.gz	WZMOFCOGHMOQSU-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
CC[C@H](C)[C@@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893428	816698862	/nfs/dbraw/zinc/69/88/62/816698862.db2.gz	VBZHUJOXSWYURD-GWKJDWPUSA-N	-1	0	281.352	3.291	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](OCCCC[P@@](=O)([O-])O)C1	ZINC001225023302	816934912	/nfs/dbraw/zinc/93/49/12/816934912.db2.gz	XCJSKIWIDONSEQ-KGLIPLIRSA-N	-1	0	288.324	3.262	20	30		CGEDRM
C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OCC(=O)[O-])[C@@H]12	ZINC001225024519	816935515	/nfs/dbraw/zinc/93/55/15/816935515.db2.gz	UDQGZSPYYRGOMS-BXVRKOLZSA-N	-1	0	288.343	3.115	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](Oc2nc(Cl)cc(=O)[n-]2)C(C)(C)O1	ZINC001225561778	817092808	/nfs/dbraw/zinc/09/28/08/817092808.db2.gz	BURHHCFQUUFSQN-XPTSAGLGSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C[C@@H]1CC[C@H](C)[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008103	817246726	/nfs/dbraw/zinc/24/67/26/817246726.db2.gz	CZJMSCUVUGFGRT-PTRXPTGYSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CCC(CC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226064578	817262687	/nfs/dbraw/zinc/26/26/87/817262687.db2.gz	NOOFVVSAGBLQST-UHFFFAOYSA-N	-1	0	274.242	3.245	20	30		CGEDRM
CC[C@@H](C)[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069132	817263873	/nfs/dbraw/zinc/26/38/73/817263873.db2.gz	ZHULWQHVNJXWRU-SFYZADRCSA-N	-1	0	288.269	3.491	20	30		CGEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069158	817263837	/nfs/dbraw/zinc/26/38/37/817263837.db2.gz	ZSELKXQLNSAFAM-QMMMGPOBSA-N	-1	0	284.237	3.187	20	30		CGEDRM
C[C@H](Oc1nccc(/C=N/O)n1)c1cccc(Cl)c1	ZINC001226256671	817312267	/nfs/dbraw/zinc/31/22/67/817312267.db2.gz	UYRRPQZZGRPJFJ-VKPPLCHCSA-N	-1	0	277.711	3.078	20	30		CGEDRM
C=C[C@H](CCC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481075	817371626	/nfs/dbraw/zinc/37/16/26/817371626.db2.gz	CBCLKFDYOYIYGO-SNVBAGLBSA-N	-1	0	250.294	3.034	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227612708	817681518	/nfs/dbraw/zinc/68/15/18/817681518.db2.gz	ZMOMZCJTLJYNQA-LLVKDONJSA-N	-1	0	299.355	3.488	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(C(=O)[O-])cc1C	ZINC001243200655	823287686	/nfs/dbraw/zinc/28/76/86/823287686.db2.gz	NEBNYCJMWWOENZ-UHFFFAOYSA-N	-1	0	293.326	3.291	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1nc2ncccc2cc1C#N	ZINC001243203075	823288385	/nfs/dbraw/zinc/28/83/85/823288385.db2.gz	IECHEWYAWWSTLF-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
COC(=O)c1cc(-c2ccc(C(=O)[O-])cc2C)ccc1C#N	ZINC001243205278	823290387	/nfs/dbraw/zinc/29/03/87/823290387.db2.gz	OLDOPIPFNQQMIP-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](Oc2[n-]c(=O)ncc2Cl)C(C)(C)O1	ZINC001228483099	817919207	/nfs/dbraw/zinc/91/92/07/817919207.db2.gz	QRUQPRILBJCAMQ-IINYFYTJSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccccc1	ZINC001231262415	818067152	/nfs/dbraw/zinc/06/71/52/818067152.db2.gz	GBSGMIZBEIRJQA-ZDUSSCGKSA-N	-1	0	286.287	3.310	20	30		CGEDRM
N#CCCN(CCC#N)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232627587	818405595	/nfs/dbraw/zinc/40/55/95/818405595.db2.gz	KNTCBENOZSLETN-UHFFFAOYSA-N	-1	0	298.173	3.328	20	30		CGEDRM
N#Cc1ccc([O-])c(CN2CCCC[C@@H]2C(F)(F)F)c1	ZINC001232679582	818417313	/nfs/dbraw/zinc/41/73/13/818417313.db2.gz	OBAKSXUSXCJCRK-CYBMUJFWSA-N	-1	0	284.281	3.181	20	30		CGEDRM
CN(Cc1cc(C#N)ccc1[O-])[C@@H](C1CCC1)C(F)(F)F	ZINC001232679037	818417731	/nfs/dbraw/zinc/41/77/31/818417731.db2.gz	ZBERXMKVEYKYGK-AWEZNQCLSA-N	-1	0	298.308	3.427	20	30		CGEDRM
N#Cc1ccc([O-])c(CN2Cc3cccc(Cl)c3C2)c1	ZINC001232677544	818417885	/nfs/dbraw/zinc/41/78/85/818417885.db2.gz	FGBZVIMYXIXPMO-UHFFFAOYSA-N	-1	0	284.746	3.433	20	30		CGEDRM
Cc1cnc(-c2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001243322820	823346710	/nfs/dbraw/zinc/34/67/10/823346710.db2.gz	OCPYXTAGWNCJOH-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCCC(C)(C)C2)c1C#N	ZINC001233919324	818730484	/nfs/dbraw/zinc/73/04/84/818730484.db2.gz	GNGREYMLCMPVOY-NSHDSACASA-N	-1	0	260.337	3.315	20	30		CGEDRM
C#C[C@@H](CC)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234412004	818848709	/nfs/dbraw/zinc/84/87/09/818848709.db2.gz	OHPGFDUQYZWWPQ-VIFPVBQESA-N	-1	0	296.248	3.145	20	30		CGEDRM
CC[C@H](C)[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513480	818872105	/nfs/dbraw/zinc/87/21/05/818872105.db2.gz	LXMVEEJWIAQZPP-VHSXEESVSA-N	-1	0	271.320	3.020	20	30		CGEDRM
CC[C@H](C)[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529831	818876102	/nfs/dbraw/zinc/87/61/02/818876102.db2.gz	GOLNUVDFHOMFOH-UWVGGRQHSA-N	-1	0	271.320	3.020	20	30		CGEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1ccccc1C=N[O-]	ZINC001234819095	818925816	/nfs/dbraw/zinc/92/58/16/818925816.db2.gz	HGAIANZZAPUSPY-AWEZNQCLSA-N	-1	0	257.333	3.478	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235458246	819103650	/nfs/dbraw/zinc/10/36/50/819103650.db2.gz	IKDKFHMSLWGBEU-FPYGCLRLSA-N	-1	0	297.285	3.493	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235532747	819117836	/nfs/dbraw/zinc/11/78/36/819117836.db2.gz	YFQMDGJOZZXDON-ZZXKWVIFSA-N	-1	0	274.279	3.195	20	30		CGEDRM
Cc1ccnc(-c2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001235986266	819261262	/nfs/dbraw/zinc/26/12/62/819261262.db2.gz	QFXMOGWVSJAXMM-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3ccc(C(=O)[O-])cc3)c2c1	ZINC001236054613	819289806	/nfs/dbraw/zinc/28/98/06/819289806.db2.gz	WZMFFJDJVVYVEW-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccc(C(=O)[O-])cc1	ZINC001236055026	819289822	/nfs/dbraw/zinc/28/98/22/819289822.db2.gz	WKEIBWPLPCFFGN-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
CCc1nnc(-c2c(F)ccc(C)c2[O-])c(C#N)c1CC	ZINC001236390698	819447095	/nfs/dbraw/zinc/44/70/95/819447095.db2.gz	GTMKVHXQUGCZAD-UHFFFAOYSA-N	-1	0	285.322	3.293	20	30		CGEDRM
Cc1ccc(F)c(-c2ccc3c(C#N)c[nH]c3n2)c1[O-]	ZINC001236393414	819448828	/nfs/dbraw/zinc/44/88/28/819448828.db2.gz	UIWKXPCFSBUVBU-UHFFFAOYSA-N	-1	0	267.263	3.255	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(F)cc(F)c2[O-])cc1F	ZINC001243502651	823421572	/nfs/dbraw/zinc/42/15/72/823421572.db2.gz	MKSOZYDNNIKWLG-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)cc(F)c1[O-])CCCC2	ZINC001243504548	823423124	/nfs/dbraw/zinc/42/31/24/823423124.db2.gz	RHDXKEYUJYGAHU-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
N#CCc1ccccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239255588	820241841	/nfs/dbraw/zinc/24/18/41/820241841.db2.gz	BWBSEPXKJWCQRF-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCCOc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1	ZINC001239262153	820245662	/nfs/dbraw/zinc/24/56/62/820245662.db2.gz	SUNZKMISXADDJK-UHFFFAOYSA-N	-1	0	285.274	3.483	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240548679	821135150	/nfs/dbraw/zinc/13/51/50/821135150.db2.gz	VXVNZOYVAQNKLN-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)c(C#N)n1	ZINC001240549492	821135238	/nfs/dbraw/zinc/13/52/38/821135238.db2.gz	LAPBGMUESCUHGQ-SOFGYWHQSA-N	-1	0	264.284	3.027	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc2c(C#N)c[nH]c2c1	ZINC001240738016	821289762	/nfs/dbraw/zinc/28/97/62/821289762.db2.gz	XQZMEFUVGOEFEN-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccc(C(=O)[O-])s1	ZINC001240848404	821368261	/nfs/dbraw/zinc/36/82/61/821368261.db2.gz	YNULRAAVSYFHEF-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240978139	821460984	/nfs/dbraw/zinc/46/09/84/821460984.db2.gz	SDXMOEFRZNWAIW-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
COc1cccc(-c2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001241002200	821481059	/nfs/dbraw/zinc/48/10/59/821481059.db2.gz	UDWBRSXPRQRQMQ-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)nc(C)c1C#N	ZINC001241245082	821666679	/nfs/dbraw/zinc/66/66/79/821666679.db2.gz	LINLHTKTJIKUAG-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001241828062	822165924	/nfs/dbraw/zinc/16/59/24/822165924.db2.gz	RQXWUTVXJMAAJW-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(-c2cccc(F)c2C#N)cc1C(=O)[O-]	ZINC001241868562	822186944	/nfs/dbraw/zinc/18/69/44/822186944.db2.gz	GTTNSYHJRXNSLW-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
COc1nc(-c2cc(C(F)(F)F)ccc2[O-])ccc1C#N	ZINC001242132328	822889447	/nfs/dbraw/zinc/88/94/47/822889447.db2.gz	RKYKDEUYPZGEPP-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
C=C(C)c1ccc(-c2cccc(CC(=O)[O-])c2)nc1	ZINC001242262393	822929962	/nfs/dbraw/zinc/92/99/62/822929962.db2.gz	JSFRWCFTOVKHCA-UHFFFAOYSA-N	-1	0	253.301	3.409	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])nc2)n1	ZINC001242333545	822953599	/nfs/dbraw/zinc/95/35/99/822953599.db2.gz	KXJXUEPIDIQLMB-UHFFFAOYSA-N	-1	0	281.315	3.011	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2F)c(CC#N)c1	ZINC001242380447	822974950	/nfs/dbraw/zinc/97/49/50/822974950.db2.gz	LOHQRNZNJMGJEW-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
O=C([O-])c1cccc(-c2ccc(/C=N/O)c(F)c2)c1F	ZINC001242381289	822975447	/nfs/dbraw/zinc/97/54/47/822975447.db2.gz	POLDYKCHQSGOJL-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2occ(C)c2C)n1	ZINC001341198241	936430500	/nfs/dbraw/zinc/43/05/00/936430500.db2.gz	KRKWNOCKKAGPPN-JTQLQIEISA-N	-1	0	260.318	3.151	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC001346239839	936843109	/nfs/dbraw/zinc/84/31/09/936843109.db2.gz	UMIIBHJNGIBPQV-UHFFFAOYSA-N	-1	0	291.347	3.467	20	30		CGEDRM
Cc1sc(NC(=O)c2cccc(F)c2[O-])c(C#N)c1C	ZINC001351224552	937011686	/nfs/dbraw/zinc/01/16/86/937011686.db2.gz	RCEZXYTWMDCZDL-UHFFFAOYSA-N	-1	0	290.319	3.334	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001347549188	926727137	/nfs/dbraw/zinc/72/71/37/926727137.db2.gz	XZTPWCMHKXGILY-UHFFFAOYSA-N	-1	0	261.321	3.296	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1	ZINC001350459359	926804502	/nfs/dbraw/zinc/80/45/02/926804502.db2.gz	CVYZFFSEWMMJDW-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
N#Cc1c2ccccc2[nH]c1C(=O)Nc1c([O-])cccc1F	ZINC001165760989	931995805	/nfs/dbraw/zinc/99/58/05/931995805.db2.gz	XXVRBFCNBLVDIW-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
Cc1cccc2c1[C@@H](Oc1[n-]c(=O)ccc1C#N)CC2	ZINC001228898302	932048247	/nfs/dbraw/zinc/04/82/47/932048247.db2.gz	FLLCRZBFHBGSAR-ZDUSSCGKSA-N	-1	0	266.300	3.034	20	30		CGEDRM
CCCCC(=O)[C@@H](CCCC)Oc1[n-]c(=O)ccc1C#N	ZINC001228903345	932049400	/nfs/dbraw/zinc/04/94/00/932049400.db2.gz	XESHPMBIRATNGN-CQSZACIVSA-N	-1	0	290.363	3.356	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc[n-]c(=O)c2Cl)O1	ZINC001230013160	932520734	/nfs/dbraw/zinc/52/07/34/932520734.db2.gz	FCLRYKUVJCKAFT-XPTSAGLGSA-N	-1	0	298.770	3.117	20	30		CGEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230885573	932636154	/nfs/dbraw/zinc/63/61/54/932636154.db2.gz	XUGGFSLCUDVXRM-LLVKDONJSA-N	-1	0	274.295	3.045	20	30		CGEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885011	932636325	/nfs/dbraw/zinc/63/63/25/932636325.db2.gz	IECOCMUVZHXARL-QMMMGPOBSA-N	-1	0	264.712	3.332	20	30		CGEDRM
COC(=O)C[C@H](C#N)c1ccc(O[C@H](C)C2=CC=C[CH]2)cc1	ZINC001230999187	932654962	/nfs/dbraw/zinc/65/49/62/932654962.db2.gz	ITQJPRXYYLSIED-CZUORRHYSA-N	-1	0	296.346	3.325	20	30		CGEDRM
C=C[C@@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231044607	932664442	/nfs/dbraw/zinc/66/44/42/932664442.db2.gz	LXWVMJKYRYIGTK-RXMQYKEDSA-N	-1	0	258.108	3.218	20	30		CGEDRM
COc1ccc(NCc2ccc(F)c(F)c2[O-])cc1C#N	ZINC001308909977	933202093	/nfs/dbraw/zinc/20/20/93/933202093.db2.gz	XLBGHZVJBOOFKD-UHFFFAOYSA-N	-1	0	290.269	3.163	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2ccc(Cl)c([O-])c2)c1	ZINC001463575711	937677025	/nfs/dbraw/zinc/67/70/25/937677025.db2.gz	KFHDSBPDFUXAHM-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C/C=C\Cc2ccccc2)c1	ZINC001471086211	937761453	/nfs/dbraw/zinc/76/14/53/937761453.db2.gz	VINVNERQCAFUSD-PLNGDYQASA-N	-1	0	292.338	3.157	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc(F)c1[O-]	ZINC001472609001	937777933	/nfs/dbraw/zinc/77/79/33/937777933.db2.gz	LDZNBSJZVKQNDV-UHFFFAOYSA-N	-1	0	284.290	3.272	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2cccc(C)c2)CCCCC1	ZINC001556633496	938204906	/nfs/dbraw/zinc/20/49/06/938204906.db2.gz	IEUXXLSLZWGMCD-UHFFFAOYSA-N	-1	0	273.376	3.431	20	30		CGEDRM
C=C(CC)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21	ZINC001602712176	971354285	/nfs/dbraw/zinc/35/42/85/971354285.db2.gz	ILZDNTPFSUJXQV-CYBMUJFWSA-N	-1	0	287.359	3.023	20	30		CGEDRM
C=C(CC)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21	ZINC001602712177	971354321	/nfs/dbraw/zinc/35/43/21/971354321.db2.gz	ILZDNTPFSUJXQV-ZDUSSCGKSA-N	-1	0	287.359	3.023	20	30		CGEDRM
C=C(C)CCOc1cc(/C=C\C(=O)[O-])ccc1OC	ZINC000387624919	972129591	/nfs/dbraw/zinc/12/95/91/972129591.db2.gz	BVKUBTVROYBAIR-ALCCZGGFSA-N	-1	0	262.305	3.138	20	30		CGEDRM
Cc1oc(COc2c(C)cc(C#N)cc2C)cc1C(=O)[O-]	ZINC000088153279	958047575	/nfs/dbraw/zinc/04/75/75/958047575.db2.gz	ZCKCGCNSLCEHLE-UHFFFAOYSA-N	-1	0	285.299	3.354	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000118609401	958465041	/nfs/dbraw/zinc/46/50/41/958465041.db2.gz	HKJWXBKUBCNFCW-CHWSQXEVSA-N	-1	0	269.385	3.059	20	30		CGEDRM
CSc1ccc(Oc2ccc(C(=O)[O-])nc2C#N)cc1	ZINC001599819827	960542600	/nfs/dbraw/zinc/54/26/00/960542600.db2.gz	AAUPMIHHZBTLCT-UHFFFAOYSA-N	-1	0	286.312	3.166	20	30		CGEDRM
C=CCCCN(CC)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001573328454	962241197	/nfs/dbraw/zinc/24/11/97/962241197.db2.gz	IJWZBDIXNMKQLU-UHFFFAOYSA-N	-1	0	290.363	3.134	20	30		CGEDRM
C=C(C)[C@@H](C)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588529867	962762198	/nfs/dbraw/zinc/76/21/98/962762198.db2.gz	JMPVJEIOHBYWIK-MRVPVSSYSA-N	-1	0	268.696	3.160	20	30		CGEDRM
C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@@H]1CC2CCC1CC2	ZINC001583397242	962805953	/nfs/dbraw/zinc/80/59/53/962805953.db2.gz	HVOOESIXSIWTDM-OCLKLICZSA-N	-1	0	298.386	3.208	20	30		CGEDRM
N#Cc1ccc(F)c(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC001583538910	962818183	/nfs/dbraw/zinc/81/81/83/962818183.db2.gz	GUPHQLXVMBJKIQ-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C=C1CCC(C(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])CC1	ZINC001573343342	962903403	/nfs/dbraw/zinc/90/34/03/962903403.db2.gz	DAMFRDNSPUCPLK-QGZVFWFLSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C(CC)CNC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588607013	962914125	/nfs/dbraw/zinc/91/41/25/962914125.db2.gz	OWLPLHSUIOZRQE-UHFFFAOYSA-N	-1	0	276.336	3.035	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-]	ZINC001573350051	962962692	/nfs/dbraw/zinc/96/26/92/962962692.db2.gz	AGJAKJIWISXTOI-QGZVFWFLSA-N	-1	0	293.407	3.247	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001573351698	962982109	/nfs/dbraw/zinc/98/21/09/962982109.db2.gz	WZNXFZFSDJDBLC-UHFFFAOYSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=CCCc1ccccc1NC[C@H]1[C@H](C(=O)[O-])C1(F)F	ZINC001573359953	963029612	/nfs/dbraw/zinc/02/96/12/963029612.db2.gz	BOBYMHXCAKKKFH-WCQYABFASA-N	-1	0	281.302	3.183	20	30		CGEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC001588712852	963115595	/nfs/dbraw/zinc/11/55/95/963115595.db2.gz	ODDSXCFYNGAFMS-GFCCVEGCSA-N	-1	0	280.295	3.281	20	30		CGEDRM
C=C[C@H](SCc1ccc(OC)c(Cl)c1)C(=O)[O-]	ZINC001588715400	963122370	/nfs/dbraw/zinc/12/23/70/963122370.db2.gz	WYYJYAUYQIDUJQ-NSHDSACASA-N	-1	0	272.753	3.221	20	30		CGEDRM
C=C1CCC(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)CC1	ZINC001588445725	963267706	/nfs/dbraw/zinc/26/77/06/963267706.db2.gz	PJXXFELHXSVRIQ-UHFFFAOYSA-N	-1	0	299.370	3.410	20	30		CGEDRM
C#C[C@H](CC)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC001588369384	963271508	/nfs/dbraw/zinc/27/15/08/963271508.db2.gz	KDFNXYSAQJESIT-SKDRFNHKSA-N	-1	0	286.158	3.121	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC001588450290	963272713	/nfs/dbraw/zinc/27/27/13/963272713.db2.gz	CQYSCBPINSVJPW-ZDUSSCGKSA-N	-1	0	298.427	3.025	20	30		CGEDRM
C=CCC1(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCCC1	ZINC001588458046	963277144	/nfs/dbraw/zinc/27/71/44/963277144.db2.gz	PRLHJHZNVPYHPP-AWEZNQCLSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C#CCN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1	ZINC001588471182	963279839	/nfs/dbraw/zinc/27/98/39/963279839.db2.gz	DAXSFHKLNYMIDG-KHPPLWFESA-N	-1	0	295.338	3.013	20	30		CGEDRM
C=CCC1(C(=O)N[C@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC001588458347	963280171	/nfs/dbraw/zinc/28/01/71/963280171.db2.gz	SJHGWZNIVIIQEZ-CYBMUJFWSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588585125	963286592	/nfs/dbraw/zinc/28/65/92/963286592.db2.gz	KBNUHXAGOCESEL-UHFFFAOYSA-N	-1	0	284.315	3.236	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@H](CC)C1CCC(C)CC1)C(=O)[O-]	ZINC001588537688	963287156	/nfs/dbraw/zinc/28/71/56/963287156.db2.gz	WAMIVPGLEJVPLE-CVSAEHQPSA-N	-1	0	295.423	3.375	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cn1	ZINC001588629652	963293256	/nfs/dbraw/zinc/29/32/56/963293256.db2.gz	QEODPWYHPFZMRR-UHFFFAOYSA-N	-1	0	296.326	3.108	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CCCc2ccc(C(=O)[O-])cc21	ZINC001588690687	963299984	/nfs/dbraw/zinc/29/99/84/963299984.db2.gz	IEEDDPBCGDGTOW-GFCCVEGCSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588718862	963302266	/nfs/dbraw/zinc/30/22/66/963302266.db2.gz	IDZLVONDYJVWGL-SECBINFHSA-N	-1	0	280.349	3.019	20	30		CGEDRM
C=C[C@@H](Nc1ccc(OC2CCCC2)c(F)c1)C(=O)[O-]	ZINC001588702351	963306106	/nfs/dbraw/zinc/30/61/06/963306106.db2.gz	QVWCLIUOCQNFRL-CYBMUJFWSA-N	-1	0	279.311	3.198	20	30		CGEDRM
C=C[C@H](Sc1nc2cc(F)cc(Cl)c2o1)C(=O)[O-]	ZINC001588714777	963306283	/nfs/dbraw/zinc/30/62/83/963306283.db2.gz	NHSXGPYQGBVBCH-QMMMGPOBSA-N	-1	0	287.699	3.352	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588742911	963308246	/nfs/dbraw/zinc/30/82/46/963308246.db2.gz	NMBHONFHHRXJOS-UHFFFAOYSA-N	-1	0	283.274	3.097	20	30		CGEDRM
C=CCC(C)(C)C(=O)O[C@H](C)c1cc(C(=O)[O-])co1	ZINC001588736823	963308698	/nfs/dbraw/zinc/30/86/98/963308698.db2.gz	VVKPRRYPQYEVNL-SECBINFHSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC001588742598	963311743	/nfs/dbraw/zinc/31/17/43/963311743.db2.gz	GWIORZVNJJBHEI-UHFFFAOYSA-N	-1	0	283.274	3.097	20	30		CGEDRM
C=CC[C@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)[O-]	ZINC001588759620	963312987	/nfs/dbraw/zinc/31/29/87/963312987.db2.gz	XVRVJGWJANMXSF-NSHDSACASA-N	-1	0	290.344	3.166	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC001588786590	963315246	/nfs/dbraw/zinc/31/52/46/963315246.db2.gz	PWRMOOOXEAEGJA-HUUCEWRRSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCN(Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1	ZINC001588832488	963320727	/nfs/dbraw/zinc/32/07/27/963320727.db2.gz	HHLHOMRTNOJJOG-UHFFFAOYSA-N	-1	0	297.354	3.343	20	30		CGEDRM
C=CCCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC001588802414	963321271	/nfs/dbraw/zinc/32/12/71/963321271.db2.gz	LCRGIHJRURZCJI-UHFFFAOYSA-N	-1	0	265.265	3.028	20	30		CGEDRM
CC(=NNc1cccc(C)c1)c1cc(C(=O)[O-])co1	ZINC001589017682	963341879	/nfs/dbraw/zinc/34/18/79/963341879.db2.gz	ZOYOLKBSVSTDQJ-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
C=CCCCCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000314414687	963751167	/nfs/dbraw/zinc/75/11/67/963751167.db2.gz	HDVIGRCMWBATTA-UHFFFAOYSA-N	-1	0	293.323	3.236	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cc(F)ccc2C#N)C1	ZINC001589616727	964006842	/nfs/dbraw/zinc/00/68/42/964006842.db2.gz	DMLISZPWBHHNIS-GFCCVEGCSA-N	-1	0	290.338	3.025	20	30		CGEDRM
CC(CCC(=O)[O-])=NOCc1ccc(C(F)(F)F)cc1	ZINC001592469822	978214291	/nfs/dbraw/zinc/21/42/91/978214291.db2.gz	AUDSMHKURDNREL-UHFFFAOYSA-N	-1	0	289.253	3.463	20	30		CGEDRM
CCC(F)(F)C(C)(C)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001595221290	980050843	/nfs/dbraw/zinc/05/08/43/980050843.db2.gz	BQXKSYYGHOCSQD-UHFFFAOYSA-N	-1	0	297.305	3.135	20	30		CGEDRM
CC[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001595436165	981068214	/nfs/dbraw/zinc/06/82/14/981068214.db2.gz	PJHGSMULLIQYQW-MNOVXSKESA-N	-1	0	273.336	3.032	20	30		CGEDRM
CCc1cc(C#N)ccc1OCc1cc(C(=O)[O-])oc1C	ZINC001597423421	987744467	/nfs/dbraw/zinc/74/44/67/987744467.db2.gz	ALNFGBMMJFYJOD-UHFFFAOYSA-N	-1	0	285.299	3.299	20	30		CGEDRM
CCc1cc(C#N)ccc1OCc1cc(C(=O)[O-])c(C)o1	ZINC001597423832	987746213	/nfs/dbraw/zinc/74/62/13/987746213.db2.gz	HPSGSFGISSDTQQ-UHFFFAOYSA-N	-1	0	285.299	3.299	20	30		CGEDRM
CCc1oc(CN(CCC#N)CC(C)(C)C)cc1C(=O)[O-]	ZINC001597795827	989346852	/nfs/dbraw/zinc/34/68/52/989346852.db2.gz	DQIGALJCDGEAIQ-UHFFFAOYSA-N	-1	0	292.379	3.302	20	30		CGEDRM
CC(C)(C)ON=Cc1cc(C(=O)[O-])ccc1Cl	ZINC001590398627	989931325	/nfs/dbraw/zinc/93/13/25/989931325.db2.gz	KEYGSHNPXPBUCK-UHFFFAOYSA-N	-1	0	255.701	3.187	20	30		CGEDRM
CC(C)(CNc1ncc(C#N)c2ccsc21)CC(=O)[O-]	ZINC001590780239	990593535	/nfs/dbraw/zinc/59/35/35/990593535.db2.gz	XPZWMSJSYIYLGR-UHFFFAOYSA-N	-1	0	289.360	3.081	20	30		CGEDRM
CC(C)(CS[C@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001590812424	990645543	/nfs/dbraw/zinc/64/55/43/990645543.db2.gz	SKBFAEVSULIJSM-ZDUSSCGKSA-N	-1	0	277.389	3.355	20	30		CGEDRM
CO[C@]1(C)CC(N=Nc2ccc(F)c(C(=O)[O-])c2)C1(C)C	ZINC001599086476	997106894	/nfs/dbraw/zinc/10/68/94/997106894.db2.gz	XQVUWEXRAMIQRB-OAHLLOKOSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000621579351	349549056	/nfs/dbraw/zinc/54/90/56/349549056.db2.gz	FSASBVCISATSPV-UHFFFAOYSA-N	-1	0	299.370	3.038	20	30		CGEDRM
CC(C)C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000591325271	346915414	/nfs/dbraw/zinc/91/54/14/346915414.db2.gz	YXNJTUNSLJUGTH-GFCCVEGCSA-N	-1	0	289.379	3.162	20	30		CGEDRM
C=CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000594737284	347215011	/nfs/dbraw/zinc/21/50/11/347215011.db2.gz	WZSRFCXTSRRYJW-LLVKDONJSA-N	-1	0	290.319	3.086	20	30		CGEDRM
N#Cc1ccc(NC[C@H](C(=O)[O-])C2CCC2)cc1Cl	ZINC000595976941	347373434	/nfs/dbraw/zinc/37/34/34/347373434.db2.gz	DJOFFEJMSPBMDD-LBPRGKRZSA-N	-1	0	278.739	3.124	20	30		CGEDRM
CC(C)C[C@H]1OCCC[C@@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596197325	347397131	/nfs/dbraw/zinc/39/71/31/347397131.db2.gz	XSJWBZCOWQNWCN-GXSJLCMTSA-N	-1	0	299.827	3.096	20	30		CGEDRM
CO[C@H](CN=c1[n-]c(C#N)c(Cl)s1)C1CCCCC1	ZINC000596542292	347477054	/nfs/dbraw/zinc/47/70/54/347477054.db2.gz	PWHFZNLIAQNPRQ-LLVKDONJSA-N	-1	0	299.827	3.097	20	30		CGEDRM
N#Cc1cnc(NCC2(C(=O)[O-])CCCCC2)c(Cl)c1	ZINC000600674047	347827465	/nfs/dbraw/zinc/82/74/65/347827465.db2.gz	CSJKTMMCJJATMI-UHFFFAOYSA-N	-1	0	293.754	3.054	20	30		CGEDRM
Cc1[n-]n(-c2cc(F)cc(Cl)c2)c(=O)c1CCC#N	ZINC000601939903	347927127	/nfs/dbraw/zinc/92/71/27/347927127.db2.gz	POGMARZDKVEXNB-LBPRGKRZSA-N	-1	0	279.702	3.122	20	30		CGEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1sc(C)c(C)c1C#N	ZINC000601979715	347931332	/nfs/dbraw/zinc/93/13/32/347931332.db2.gz	AIRVLHLEYNPTBG-AWEZNQCLSA-N	-1	0	294.376	3.066	20	30		CGEDRM
CC(C)(C#N)CN=c1[n-]nc(-c2ccccc2Cl)s1	ZINC000612794870	348546958	/nfs/dbraw/zinc/54/69/58/348546958.db2.gz	CHFQULKQTRXTAD-UHFFFAOYSA-N	-1	0	292.795	3.242	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(F)F)o2)n1	ZINC000626283501	350291753	/nfs/dbraw/zinc/29/17/53/350291753.db2.gz	ZAILTTMPMJLGLN-ZETCQYMHSA-N	-1	0	282.271	3.472	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000628493809	350560429	/nfs/dbraw/zinc/56/04/29/350560429.db2.gz	XOWOFLFFGWGLKA-SNVBAGLBSA-N	-1	0	299.292	3.449	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1c[nH]nc1-c1ccccn1	ZINC000633966929	351409115	/nfs/dbraw/zinc/40/91/15/351409115.db2.gz	WEMXDNYNCSXLTK-UHFFFAOYSA-N	-1	0	298.390	3.194	20	30		CGEDRM
CC(C)(CCNc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000302599220	201486154	/nfs/dbraw/zinc/48/61/54/201486154.db2.gz	VVUUXMWBKJJROS-UHFFFAOYSA-N	-1	0	266.728	3.124	20	30		CGEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)C1CCCCC1	ZINC000049514139	369405531	/nfs/dbraw/zinc/40/55/31/369405531.db2.gz	HURHQOIADQQLLD-UHFFFAOYSA-N	-1	0	287.425	3.433	20	30		CGEDRM
C=CCOc1cccc(NC(=O)c2cccc(OC)c2O)c1	ZINC000097680333	370250291	/nfs/dbraw/zinc/25/02/91/370250291.db2.gz	LJYVCUYWPUNPEI-UHFFFAOYSA-N	-1	0	299.326	3.218	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000118875747	370629684	/nfs/dbraw/zinc/62/96/84/370629684.db2.gz	VPGBMMXHIAERGC-UHFFFAOYSA-N	-1	0	276.361	3.155	20	30		CGEDRM
N#Cc1ccc2[nH]c(-c3cc(F)c([O-])c(F)c3)nc2c1	ZINC000154232717	371828574	/nfs/dbraw/zinc/82/85/74/371828574.db2.gz	LHZGUXXCJHSRKB-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
Cc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1C#N	ZINC000435762832	372805252	/nfs/dbraw/zinc/80/52/52/372805252.db2.gz	UGGKQQBUGZMUHJ-HWKANZROSA-N	-1	0	270.313	3.192	20	30		CGEDRM
CC[C@H](F)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000441848962	373037838	/nfs/dbraw/zinc/03/78/38/373037838.db2.gz	PLQMTGYDIBDSQL-JTQLQIEISA-N	-1	0	267.348	3.090	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1[O-]	ZINC000442630260	373058841	/nfs/dbraw/zinc/05/88/41/373058841.db2.gz	PTUBWGXPVLLOMM-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[O-]	ZINC000442906629	373126058	/nfs/dbraw/zinc/12/60/58/373126058.db2.gz	VVDODLXYMQDHTN-UHFFFAOYSA-N	-1	0	292.338	3.395	20	30		CGEDRM
CC(C)c1nc(/C=C/c2cc(C#N)cs2)ncc1C(=O)[O-]	ZINC000176844498	373635445	/nfs/dbraw/zinc/63/54/45/373635445.db2.gz	SKMPQBXAHDUWNM-ONEGZZNKSA-N	-1	0	299.355	3.402	20	30		CGEDRM
N#CCN(Cc1cccc(Cl)c1[O-])C1CCCC1	ZINC000180361528	373994884	/nfs/dbraw/zinc/99/48/84/373994884.db2.gz	OLJYBZOIFYPPQH-UHFFFAOYSA-N	-1	0	264.756	3.314	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[O-]	ZINC000189778209	375446511	/nfs/dbraw/zinc/44/65/11/375446511.db2.gz	FFXBSSBXTHPSBY-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CC(C)Oc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000190702145	375532700	/nfs/dbraw/zinc/53/27/00/375532700.db2.gz	QFGORQNURLLFJE-UHFFFAOYSA-N	-1	0	296.326	3.303	20	30		CGEDRM
Cc1ccn(C)c1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	ZINC000190786430	375538894	/nfs/dbraw/zinc/53/88/94/375538894.db2.gz	ZOVCWVUDKPBHAT-LLVKDONJSA-N	-1	0	287.388	3.404	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000263161106	190066937	/nfs/dbraw/zinc/06/69/37/190066937.db2.gz	YRVPMBRZSMCWIE-LLVKDONJSA-N	-1	0	291.347	3.072	20	30		CGEDRM
C=CCn1c(SC[C@H](C)C2CCCCC2)n[n-]c1=N	ZINC000555011603	376853018	/nfs/dbraw/zinc/85/30/18/376853018.db2.gz	QYVUKNIOGFARQF-NSHDSACASA-N	-1	0	280.441	3.185	20	30		CGEDRM
Cc1oc2ccccc2c1C([O-])=C(C#N)c1ccncn1	ZINC000343943740	378139400	/nfs/dbraw/zinc/13/94/00/378139400.db2.gz	KTYWOPHUKJYIGR-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CCN(Cc1ccc(Cl)s1)[C@@H](C(=O)[O-])C1CC1	ZINC000578634762	378087449	/nfs/dbraw/zinc/08/74/49/378087449.db2.gz	IIPSDEQONGHQGS-GFCCVEGCSA-N	-1	0	285.796	3.253	20	30		CGEDRM
C=CCn1c([C@@H]2OCC[C@@H]2C)n[n-]c1=Nc1ccccc1C	ZINC000580130640	378226640	/nfs/dbraw/zinc/22/66/40/378226640.db2.gz	CXZUEQFXJXLWKU-DZGCQCFKSA-N	-1	0	298.390	3.036	20	30		CGEDRM
Cc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1C(=O)[O-]	ZINC000345912862	378407061	/nfs/dbraw/zinc/40/70/61/378407061.db2.gz	XOSPLZLHENFXHG-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C=CCN(CC(F)(F)F)C(=O)c1ccc([O-])c(Cl)c1	ZINC000272615732	378677504	/nfs/dbraw/zinc/67/75/04/378677504.db2.gz	PDRGMXNQJQDPJO-UHFFFAOYSA-N	-1	0	293.672	3.236	20	30		CGEDRM
C=CCCCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000280442530	379707957	/nfs/dbraw/zinc/70/79/57/379707957.db2.gz	KBNFRIKKMFGNMY-MRXNPFEDSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(CC)CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000414102267	380192414	/nfs/dbraw/zinc/19/24/14/380192414.db2.gz	XGMKQAQKHYGIGF-MRXNPFEDSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(C)[C@H]1OCC[C@@H]1CN=c1nc(C2CCCC2)[n-]s1	ZINC000420621306	380855604	/nfs/dbraw/zinc/85/56/04/380855604.db2.gz	FQFXKZSWNDUCHW-CHWSQXEVSA-N	-1	0	293.436	3.011	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000647378888	392712493	/nfs/dbraw/zinc/71/24/93/392712493.db2.gz	JTRPXCOJILBYEO-JTQLQIEISA-N	-1	0	287.344	3.115	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000684731756	544026580	/nfs/dbraw/zinc/02/65/80/544026580.db2.gz	BUUHBNHKEGYEPR-ZDUSSCGKSA-N	-1	0	296.411	3.160	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])s1	ZINC000659166261	418963386	/nfs/dbraw/zinc/96/33/86/418963386.db2.gz	IJKNOWKAFBZVAY-WDEREUQCSA-N	-1	0	293.388	3.311	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659167899	418963532	/nfs/dbraw/zinc/96/35/32/418963532.db2.gz	RFZNBMRPOVLSER-AAEUAGOBSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000336191682	228209193	/nfs/dbraw/zinc/20/91/93/228209193.db2.gz	CWKYKFVKINQNDG-PWCHPLFNSA-N	-1	0	285.130	3.187	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C3CC3)s2)n1	ZINC000517955018	260328034	/nfs/dbraw/zinc/32/80/34/260328034.db2.gz	DRVYTRVHSFXVKI-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)cc1C	ZINC000046929910	260653736	/nfs/dbraw/zinc/65/37/36/260653736.db2.gz	IFYNCESVWWFZHX-CYBMUJFWSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(C)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000153476105	261078641	/nfs/dbraw/zinc/07/86/41/261078641.db2.gz	LGLCCYDOSFCNKS-UHFFFAOYSA-N	-1	0	263.385	3.388	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000343103162	263596565	/nfs/dbraw/zinc/59/65/65/263596565.db2.gz	YMWILEMLWPSWMP-UHFFFAOYSA-N	-1	0	277.295	3.231	20	30		CGEDRM
C[C@]1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC=CCC1	ZINC000331322755	264189551	/nfs/dbraw/zinc/18/95/51/264189551.db2.gz	FMSHJOUBHRCDDO-AWEZNQCLSA-N	-1	0	276.292	3.104	20	30		CGEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000334086856	264230886	/nfs/dbraw/zinc/23/08/86/264230886.db2.gz	HSAPEDOALRVCGG-XCBNKYQSSA-N	-1	0	299.157	3.121	20	30		CGEDRM
C=C(C)CNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-]	ZINC000428125203	264964473	/nfs/dbraw/zinc/96/44/73/264964473.db2.gz	KICLVQSLEOHQOF-UHFFFAOYSA-N	-1	0	299.374	3.007	20	30		CGEDRM
C=CCC(F)(F)C(=O)N[C@@H]1CCc2cc(F)ccc21	ZINC000294384253	265015264	/nfs/dbraw/zinc/01/52/64/265015264.db2.gz	BPGYVAUHYPZEPJ-GFCCVEGCSA-N	-1	0	269.266	3.141	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000357511757	266313373	/nfs/dbraw/zinc/31/33/73/266313373.db2.gz	OJQXYVQXKMMJCY-SECBINFHSA-N	-1	0	283.312	3.083	20	30		CGEDRM
CCc1cccc2c1N(C(=O)c1ccc(C#N)c([O-])c1)CC2	ZINC000527487043	288172089	/nfs/dbraw/zinc/17/20/89/288172089.db2.gz	MZYFNFCESHCMHH-UHFFFAOYSA-N	-1	0	292.338	3.029	20	30		CGEDRM
CC(=Cc1ccc(Cl)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000555847924	289362256	/nfs/dbraw/zinc/36/22/56/289362256.db2.gz	NOXHKJNDIYUVOK-JXMROGBWSA-N	-1	0	299.761	3.472	20	30		CGEDRM
CCc1ccc(C(=O)[O-])cc1NCc1cccc(C#N)c1	ZINC000556323413	289386403	/nfs/dbraw/zinc/38/64/03/289386403.db2.gz	KUDQDUNHMNUXGQ-UHFFFAOYSA-N	-1	0	280.327	3.431	20	30		CGEDRM
N#CCCC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000335385404	335092320	/nfs/dbraw/zinc/09/23/20/335092320.db2.gz	ZJEXTKHBLUGAPF-UHFFFAOYSA-N	-1	0	292.766	3.202	20	30		CGEDRM
C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F	ZINC000287330520	328250912	/nfs/dbraw/zinc/25/09/12/328250912.db2.gz	VZFIVHYYJSATKN-VFDHFOCYSA-N	-1	0	296.632	3.324	20	30		CGEDRM
Cc1ccncc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000426191576	330501366	/nfs/dbraw/zinc/50/13/66/330501366.db2.gz	VJUUBUAZRSXOQP-LLVKDONJSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1	ZINC000439899093	330744574	/nfs/dbraw/zinc/74/45/74/330744574.db2.gz	HCJXKRHQMCVXKK-TZMCWYRMSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@H](C)NS(=O)(=O)c1sccc1Cl	ZINC000451363274	331025876	/nfs/dbraw/zinc/02/58/76/331025876.db2.gz	AIADJNNTJUVIIG-VIFPVBQESA-N	-1	0	293.841	3.425	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457296649	331218389	/nfs/dbraw/zinc/21/83/89/331218389.db2.gz	PXOLPUHKJYATDU-MRVPVSSYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
CC(=Cc1ccc(C)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000576096256	335152595	/nfs/dbraw/zinc/15/25/95/335152595.db2.gz	WTPABRXKSDRMDF-XYOKQWHBSA-N	-1	0	279.343	3.127	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)o1	ZINC000542643086	333834180	/nfs/dbraw/zinc/83/41/80/333834180.db2.gz	LIYCKJKXDKLFRT-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
C=CCCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000381680894	336070542	/nfs/dbraw/zinc/07/05/42/336070542.db2.gz	BEWIRIQYZYRFAZ-UHFFFAOYSA-N	-1	0	264.281	3.061	20	30		CGEDRM
C=C(C)CCNc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000386924418	336182495	/nfs/dbraw/zinc/18/24/95/336182495.db2.gz	RZTDOISAMQOLBU-UHFFFAOYSA-N	-1	0	277.349	3.076	20	30		CGEDRM
N#CC[C@@H]1CC[C@H](N=c2nc(C3CCCC3)[n-]s2)C1	ZINC000333880880	534711843	/nfs/dbraw/zinc/71/18/43/534711843.db2.gz	UKCRQYJJEMHGKY-JQWIXIFHSA-N	-1	0	276.409	3.112	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)nc2)n1	ZINC000353890517	528239657	/nfs/dbraw/zinc/23/96/57/528239657.db2.gz	PFBOQXMEIFPFJA-LBPRGKRZSA-N	-1	0	296.355	3.023	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccc(Cl)cc2Cl)[nH]1	ZINC000749810333	573041237	/nfs/dbraw/zinc/04/12/37/573041237.db2.gz	QSFVSTOFZJAHDF-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
COc1ccc(O)c(/C=N\[C@@H](CC(=O)[O-])c2ccccc2)c1	ZINC000738041826	572363427	/nfs/dbraw/zinc/36/34/27/572363427.db2.gz	MGBHWDOQHDCWAQ-GZQZNAIASA-N	-1	0	299.326	3.036	20	30		CGEDRM
N#Cc1ccccc1COc1ccc(NC(=O)[O-])cc1	ZINC000738434129	572375801	/nfs/dbraw/zinc/37/58/01/572375801.db2.gz	SWWOPBNOXXBSPQ-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
C=CCCCNc1ccc(OC)c(NC(=O)[O-])c1	ZINC000738494255	572377424	/nfs/dbraw/zinc/37/74/24/572377424.db2.gz	YFZSRXOVTDYUON-UHFFFAOYSA-N	-1	0	250.298	3.163	20	30		CGEDRM
O=C([O-])CC[C@H](/N=C\c1cccc(O)c1O)c1ccccc1	ZINC000739659874	572422229	/nfs/dbraw/zinc/42/22/29/572422229.db2.gz	PXYLQCRVJRSKJP-DZBQEORWSA-N	-1	0	299.326	3.123	20	30		CGEDRM
O=C([O-])Nc1cc(N=Cc2cccc(O)c2O)ccc1F	ZINC000740003710	572427950	/nfs/dbraw/zinc/42/79/50/572427950.db2.gz	SOFFRCLKUGMJCA-UHFFFAOYSA-N	-1	0	290.250	3.077	20	30		CGEDRM
O=C([O-])NC1CCC(/N=C\c2cc(Cl)ccc2O)CC1	ZINC000740553002	572446309	/nfs/dbraw/zinc/44/63/09/572446309.db2.gz	OCUMBFPLFTXIQM-PXNMLYILSA-N	-1	0	296.754	3.043	20	30		CGEDRM
O=c1c2ccccc2[n-]c(=S)n1N=CC1CCCCC1	ZINC000725859605	572451674	/nfs/dbraw/zinc/45/16/74/572451674.db2.gz	SDXQFHNEFXGIKV-UHFFFAOYSA-N	-1	0	287.388	3.099	20	30		CGEDRM
C=C(C)CS[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735402561	572719982	/nfs/dbraw/zinc/71/99/82/572719982.db2.gz	XAZYYMTZHSQIPV-SNVBAGLBSA-N	-1	0	260.366	3.237	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2Cc2ccccc2)n1	ZINC000735609263	572733050	/nfs/dbraw/zinc/73/30/50/572733050.db2.gz	REKFBBINUDYYCL-CQSZACIVSA-N	-1	0	296.374	3.301	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CC=CCC2)c1[O-]	ZINC000735979025	572758947	/nfs/dbraw/zinc/75/89/47/572758947.db2.gz	UNMBSAHOORBQCM-OXFWXOROSA-N	-1	0	280.711	3.481	20	30		CGEDRM
C[C@@H](c1ccc(C#N)cc1)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000736714289	572806076	/nfs/dbraw/zinc/80/60/76/572806076.db2.gz	GJSPEKPEVNFYNW-LBPRGKRZSA-N	-1	0	292.338	3.333	20	30		CGEDRM
CC[C@@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-]	ZINC000736926199	572826059	/nfs/dbraw/zinc/82/60/59/572826059.db2.gz	ZYYYDXZRQWFKQB-GHMZBOCLSA-N	-1	0	278.377	3.213	20	30		CGEDRM
CCCC[C@@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-]	ZINC000736982161	572831526	/nfs/dbraw/zinc/83/15/26/572831526.db2.gz	MQGVXJQKIYEUDE-CYBMUJFWSA-N	-1	0	290.363	3.401	20	30		CGEDRM
CCCC[C@@H](Nc1cc(C#N)ccc1OCC)C(=O)[O-]	ZINC000736982103	572831643	/nfs/dbraw/zinc/83/16/43/572831643.db2.gz	LLFLWFYPPTYQNN-GFCCVEGCSA-N	-1	0	276.336	3.012	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1	ZINC000748005520	572957426	/nfs/dbraw/zinc/95/74/26/572957426.db2.gz	RGZRJLXSSNXXST-ZIAGYGMSSA-N	-1	0	296.301	3.145	20	30		CGEDRM
C/C(=C\C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(F)c1	ZINC000748412235	572976369	/nfs/dbraw/zinc/97/63/69/572976369.db2.gz	NUYKAPHSQXQJMD-YRNVUSSQSA-N	-1	0	296.301	3.445	20	30		CGEDRM
N#Cc1ccc(N2Cc3ccc(C(=O)[O-])cc3C2)cc1Cl	ZINC000156622352	600227887	/nfs/dbraw/zinc/22/78/87/600227887.db2.gz	MAIHVULYYGXWJX-UHFFFAOYSA-N	-1	0	298.729	3.430	20	30		CGEDRM
CCCCCCCCC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC000112864091	600428119	/nfs/dbraw/zinc/42/81/19/600428119.db2.gz	YBTGGFSOEDMQEB-UHFFFAOYSA-N	-1	0	278.352	3.469	20	30		CGEDRM
CCc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737270373	600590647	/nfs/dbraw/zinc/59/06/47/600590647.db2.gz	QSJJXUYDYOGDEP-MRXNPFEDSA-N	-1	0	280.327	3.358	20	30		CGEDRM
N#CCc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000051601257	600791418	/nfs/dbraw/zinc/79/14/18/600791418.db2.gz	DPEXTMHMQXXHNR-UHFFFAOYSA-N	-1	0	266.300	3.063	20	30		CGEDRM
CCC(CC)CN(CCC#N)Cc1ccc(C(=O)[O-])o1	ZINC000828858862	601016989	/nfs/dbraw/zinc/01/69/89/601016989.db2.gz	CPCBVXDFVUWNBW-UHFFFAOYSA-N	-1	0	278.352	3.130	20	30		CGEDRM
Cc1cc(NCc2cc(C#N)ccc2F)ccc1C(=O)[O-]	ZINC000832897618	601249633	/nfs/dbraw/zinc/24/96/33/601249633.db2.gz	WNKOMZGNDQZYLF-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
CC(C)Oc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000827038182	601330479	/nfs/dbraw/zinc/33/04/79/601330479.db2.gz	JMHQQVRSWDISQP-UXBLZVDNSA-N	-1	0	299.326	3.396	20	30		CGEDRM
CCC(C)(C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000828608958	601354693	/nfs/dbraw/zinc/35/46/93/601354693.db2.gz	IWWHJCACBLNDJV-CQSZACIVSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000825671610	601441353	/nfs/dbraw/zinc/44/13/53/601441353.db2.gz	XAHMXGQDKLWFLX-ZDUSSCGKSA-N	-1	0	295.766	3.328	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000830094641	601792771	/nfs/dbraw/zinc/79/27/71/601792771.db2.gz	SYMDPRVPQSTBNH-SREVYHEPSA-N	-1	0	285.299	3.008	20	30		CGEDRM
Cn1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c2ccccc21	ZINC000833041818	601793171	/nfs/dbraw/zinc/79/31/71/601793171.db2.gz	ROIAYGARZCXZPX-VOTSOKGWSA-N	-1	0	294.310	3.101	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829618538	601793787	/nfs/dbraw/zinc/79/37/87/601793787.db2.gz	DXWTVTQXBWRSPX-WTKPLQERSA-N	-1	0	298.342	3.065	20	30		CGEDRM
CCOc1ccc(O)c(/C=N\Cc2cccc(C(=O)[O-])c2)c1	ZINC000830084332	601845267	/nfs/dbraw/zinc/84/52/67/601845267.db2.gz	AMQHOZAZVPTSGM-WQRHYEAKSA-N	-1	0	299.326	3.108	20	30		CGEDRM
C=CC1CCN(C(=O)NCCCCCCCC(=O)[O-])CC1	ZINC000825660094	602096365	/nfs/dbraw/zinc/09/63/65/602096365.db2.gz	SDWGUUQEXNPWNT-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
N#Cc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1F	ZINC000236468557	602097952	/nfs/dbraw/zinc/09/79/52/602097952.db2.gz	KWHUQQCTKCDCPS-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#CCCCCSCc1ccc(C(=O)[O-])c(F)c1	ZINC000833065466	602179636	/nfs/dbraw/zinc/17/96/36/602179636.db2.gz	FNPNAPRMSHOJCI-UHFFFAOYSA-N	-1	0	267.325	3.451	20	30		CGEDRM
C#CCCc1cc(=O)n(Cc2c(Cl)cccc2Cl)[n-]1	ZINC000899356661	620653811	/nfs/dbraw/zinc/65/38/11/620653811.db2.gz	PHTMYUJIMDXYNO-UHFFFAOYSA-N	-1	0	295.169	3.495	20	30		CGEDRM
N#Cc1cccc(Cl)c1NC1CCC(NC(=O)[O-])CC1	ZINC000831146148	603191594	/nfs/dbraw/zinc/19/15/94/603191594.db2.gz	JKCFBEPUCOZZOM-UHFFFAOYSA-N	-1	0	293.754	3.202	20	30		CGEDRM
N#Cc1ccc(NC[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1	ZINC000831137165	603203594	/nfs/dbraw/zinc/20/35/94/603203594.db2.gz	ROFVOZNMRKVPQP-OAHLLOKOSA-N	-1	0	299.305	3.118	20	30		CGEDRM
C=CCCCC(=O)Nc1ccccc1CN(C)C(=O)[O-]	ZINC000823497124	603989035	/nfs/dbraw/zinc/98/90/35/603989035.db2.gz	WFMVWWQCHSJCEU-UHFFFAOYSA-N	-1	0	276.336	3.091	20	30		CGEDRM
N#Cc1cccc(CNc2ccc(NC(=O)[O-])cc2)c1	ZINC000831145817	604215172	/nfs/dbraw/zinc/21/51/72/604215172.db2.gz	AYFYDOOYPJARIA-UHFFFAOYSA-N	-1	0	267.288	3.260	20	30		CGEDRM
N#Cc1nc(Oc2ccc(NC(=O)[O-])cc2)ccc1Cl	ZINC000831161585	604219707	/nfs/dbraw/zinc/21/97/07/604219707.db2.gz	FPCCQUGSOZLTBH-UHFFFAOYSA-N	-1	0	289.678	3.489	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)[O-])cc1)OCC	ZINC000833367821	604543527	/nfs/dbraw/zinc/54/35/27/604543527.db2.gz	WHBPDSOAHJXSFU-CYBMUJFWSA-N	-1	0	292.335	3.086	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1COc1ccc(C#N)cc1F	ZINC000830394931	604649458	/nfs/dbraw/zinc/64/94/58/604649458.db2.gz	RCSMYWSZUHOMEL-UHFFFAOYSA-N	-1	0	289.262	3.130	20	30		CGEDRM
Cc1cc(F)ccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763369443	604666709	/nfs/dbraw/zinc/66/67/09/604666709.db2.gz	WMFNQXVJEWMQHX-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
C[C@H](CSCC#Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000827574455	604788014	/nfs/dbraw/zinc/78/80/14/604788014.db2.gz	BFPCOWGRBNZJLH-SNVBAGLBSA-N	-1	0	268.765	3.145	20	30		CGEDRM
C=CCCNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833374375	605038768	/nfs/dbraw/zinc/03/87/68/605038768.db2.gz	ZBYMLLVCCXZDBS-UHFFFAOYSA-N	-1	0	270.126	3.135	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000398221807	605057282	/nfs/dbraw/zinc/05/72/82/605057282.db2.gz	ODPKNIXDWZPQGI-LLVKDONJSA-N	-1	0	276.336	3.251	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000398101862	605076918	/nfs/dbraw/zinc/07/69/18/605076918.db2.gz	TWAGLFXPTXFVBX-SNVBAGLBSA-N	-1	0	294.326	3.390	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1nc(C)sc1C	ZINC000812444852	605095075	/nfs/dbraw/zinc/09/50/75/605095075.db2.gz	HLYZYGJVGINOPD-UHFFFAOYSA-N	-1	0	289.360	3.294	20	30		CGEDRM
C#CCOc1ccccc1CNc1ccc(NC(=O)[O-])cc1	ZINC000823466685	605242122	/nfs/dbraw/zinc/24/21/22/605242122.db2.gz	GWDWZEOAPHPXJM-UHFFFAOYSA-N	-1	0	296.326	3.401	20	30		CGEDRM
N#CCc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1	ZINC000833968185	605455325	/nfs/dbraw/zinc/45/53/25/605455325.db2.gz	QEAMNJQGCFURHQ-UHFFFAOYSA-N	-1	0	295.298	3.095	20	30		CGEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ncccc1Cl	ZINC000824767935	605463708	/nfs/dbraw/zinc/46/37/08/605463708.db2.gz	LCJBNGUMYIUFNG-JTQLQIEISA-N	-1	0	296.758	3.055	20	30		CGEDRM
Cc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1NC(=O)[O-]	ZINC000829961175	605571323	/nfs/dbraw/zinc/57/13/23/605571323.db2.gz	ATRQZUQNHYWJDQ-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
CC(C)(C)c1ccc(NN=Cc2ccc(C(=O)[O-])[nH]2)cc1	ZINC000833449297	605595869	/nfs/dbraw/zinc/59/58/69/605595869.db2.gz	SDSJMPXSUDTVER-UHFFFAOYSA-N	-1	0	285.347	3.456	20	30		CGEDRM
C#CCCCCCC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000833361743	605672521	/nfs/dbraw/zinc/67/25/21/605672521.db2.gz	JTTSVOPTGQFAPX-GFCCVEGCSA-N	-1	0	292.331	3.474	20	30		CGEDRM
N#Cc1cccc(Sc2ccc(NC(=O)[O-])cc2)n1	ZINC000833976560	606101608	/nfs/dbraw/zinc/10/16/08/606101608.db2.gz	OLYWDAOFQKXDTK-UHFFFAOYSA-N	-1	0	271.301	3.194	20	30		CGEDRM
CC(C)Cc1ccc(CC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417445	617607982	/nfs/dbraw/zinc/60/79/82/617607982.db2.gz	FWMKYGMBRWZYJK-UHFFFAOYSA-N	-1	0	297.420	3.122	20	30		CGEDRM
Cc1ncsc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255047364	617777108	/nfs/dbraw/zinc/77/71/08/617777108.db2.gz	RQUZBLIARQJXRK-PLNGDYQASA-N	-1	0	263.293	3.192	20	30		CGEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1	ZINC000255078648	617915262	/nfs/dbraw/zinc/91/52/62/617915262.db2.gz	TUEOZASSLOFFKS-IWQZZHSRSA-N	-1	0	275.285	3.258	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000255181049	618043540	/nfs/dbraw/zinc/04/35/40/618043540.db2.gz	TWTPRSFCNHYKJD-HYXAFXHYSA-N	-1	0	273.244	3.098	20	30		CGEDRM
O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cc(F)ccc1[O-]	ZINC000255487117	618583038	/nfs/dbraw/zinc/58/30/38/618583038.db2.gz	HAHLTMGMUZNMIB-ALCCZGGFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(Cl)s2)c1	ZINC000176829118	618742358	/nfs/dbraw/zinc/74/23/58/618742358.db2.gz	ZJILNUJOWHIDOT-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000935260597	618749959	/nfs/dbraw/zinc/74/99/59/618749959.db2.gz	RJOFAGBMGMTPCT-NSHDSACASA-N	-1	0	261.321	3.136	20	30		CGEDRM
O=C(/C=C/c1cnn2ccccc12)c1ccc(F)cc1[O-]	ZINC000176956852	618769908	/nfs/dbraw/zinc/76/99/08/618769908.db2.gz	BVCBRQYPXQOZRE-QPJJXVBHSA-N	-1	0	282.274	3.075	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])s1	ZINC000255657416	618771794	/nfs/dbraw/zinc/77/17/94/618771794.db2.gz	MRRNVDHLXGXVCF-XQRVVYSFSA-N	-1	0	273.288	3.361	20	30		CGEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1ccccc1[O-]	ZINC000255691023	618777789	/nfs/dbraw/zinc/77/77/89/618777789.db2.gz	QABOFTWPSHOKLS-ALCCZGGFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
O=C(/C=C\c1ccc(O)cc1)c1ccc(F)cc1[O-]	ZINC000255779304	618793580	/nfs/dbraw/zinc/79/35/80/618793580.db2.gz	VOXYSWZGDVGQEB-BAQGIRSFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]3C[C@@H]32)c(F)c1	ZINC000841641900	618866497	/nfs/dbraw/zinc/86/64/97/618866497.db2.gz	YVPYKUKHKKNBLM-SCZZXKLOSA-N	-1	0	262.284	3.112	20	30		CGEDRM
C[C@H]1CCCC[C@H]1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000783798316	618920408	/nfs/dbraw/zinc/92/04/08/618920408.db2.gz	FMJJIHKDXVGNAW-YUMQZZPRSA-N	-1	0	292.330	3.246	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000072595090	625312263	/nfs/dbraw/zinc/31/22/63/625312263.db2.gz	UXKNVEIPKAEEPW-GFCCVEGCSA-N	-1	0	283.393	3.385	20	30		CGEDRM
C=CCCCCCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000312643642	619109378	/nfs/dbraw/zinc/10/93/78/619109378.db2.gz	SEERXLATRJAOSY-KGLIPLIRSA-N	-1	0	281.396	3.130	20	30		CGEDRM
N#Cc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000193150129	619126930	/nfs/dbraw/zinc/12/69/30/619126930.db2.gz	LPMMEDPDKKHRKT-AATRIKPKSA-N	-1	0	255.298	3.221	20	30		CGEDRM
CC(N=Nc1ncccc1Cl)c1cc(C(=O)[O-])cs1	ZINC000814810585	619424098	/nfs/dbraw/zinc/42/40/98/619424098.db2.gz	BLSHTEUPYBUWBG-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494386	619499902	/nfs/dbraw/zinc/49/99/02/619499902.db2.gz	WVOVUHDAYCDINZ-UHFFFAOYSA-N	-1	0	289.784	3.421	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(CC(C)C)cc1	ZINC000048518560	619502532	/nfs/dbraw/zinc/50/25/32/619502532.db2.gz	FEKBPMNQDIZHAL-UHFFFAOYSA-N	-1	0	297.420	3.320	20	30		CGEDRM
Oc1ccc(F)c(C=NNCc2ccc(Cl)cc2)c1F	ZINC000794521023	619749400	/nfs/dbraw/zinc/74/94/00/619749400.db2.gz	UOKXYGYOVYFRCK-UHFFFAOYSA-N	-1	0	296.704	3.448	20	30		CGEDRM
CCOc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000263625925	620342682	/nfs/dbraw/zinc/34/26/82/620342682.db2.gz	RFYBXGBKEPYAQI-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CC(C)(C)c1ccccc1	ZINC000067785282	620388308	/nfs/dbraw/zinc/38/83/08/620388308.db2.gz	KCFZKDQMDYJAIP-UHFFFAOYSA-N	-1	0	297.420	3.441	20	30		CGEDRM
CC(C)(C)n1cc(-c2ccc(F)c(C#N)c2)c(C(=O)[O-])n1	ZINC000901020415	620828160	/nfs/dbraw/zinc/82/81/60/620828160.db2.gz	VJJAWVNAHQJFJO-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
C[C@H](CC(=O)[O-])n1cc(-c2ccc(C3CC3)c(C#N)c2)cn1	ZINC000901078604	620832331	/nfs/dbraw/zinc/83/23/31/620832331.db2.gz	CLKYTWBEPPQZKD-LLVKDONJSA-N	-1	0	295.342	3.335	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cnn(C2CCC2)c1	ZINC000901124429	620834811	/nfs/dbraw/zinc/83/48/11/620834811.db2.gz	XEJLSVBDBFYZPG-UHFFFAOYSA-N	-1	0	298.346	3.142	20	30		CGEDRM
C=CC[C@@H](C)[C@@H](C)Nc1ccc(OCC(=O)[O-])cc1	ZINC000901717136	621006885	/nfs/dbraw/zinc/00/68/85/621006885.db2.gz	NWWQNPLJQYOWNF-VXGBXAGGSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000907577137	622302401	/nfs/dbraw/zinc/30/24/01/622302401.db2.gz	PNWAMVRHRMYRNA-HIFRSBDPSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cccc(C(F)F)c1)C(=O)[O-]	ZINC000910925232	622509484	/nfs/dbraw/zinc/50/94/84/622509484.db2.gz	KJUHVJNJSVWUTP-GFCCVEGCSA-N	-1	0	297.301	3.164	20	30		CGEDRM
O=C(/C=C/c1cccc2c1OCO2)c1ccccc1[O-]	ZINC000156604587	622827165	/nfs/dbraw/zinc/82/71/65/622827165.db2.gz	YJVFLFAIDYDYEG-CMDGGOBGSA-N	-1	0	268.268	3.017	20	30		CGEDRM
O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(O)cc1[O-]	ZINC000156642010	622831743	/nfs/dbraw/zinc/83/17/43/622831743.db2.gz	GJACAUOFFVODQB-QHHAFSJGSA-N	-1	0	276.238	3.272	20	30		CGEDRM
O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc(O)cc1[O-]	ZINC000156636844	622832544	/nfs/dbraw/zinc/83/25/44/622832544.db2.gz	YLLCQDQEWWEJJE-DAFODLJHSA-N	-1	0	294.228	3.411	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])s1	ZINC000156669373	622832865	/nfs/dbraw/zinc/83/28/65/622832865.db2.gz	MRRNVDHLXGXVCF-GQCTYLIASA-N	-1	0	273.288	3.361	20	30		CGEDRM
O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(F)cc1[O-]	ZINC000156714082	622841130	/nfs/dbraw/zinc/84/11/30/622841130.db2.gz	KUKJLMOVTJILHE-DAFODLJHSA-N	-1	0	293.275	3.397	20	30		CGEDRM
CCCCCCCC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000059082211	622988925	/nfs/dbraw/zinc/98/89/25/622988925.db2.gz	OZBLYAJRRVKQCK-UHFFFAOYSA-N	-1	0	284.381	3.069	20	30		CGEDRM
O=C([O-])c1csc(C=NOCc2ccc(F)cc2)c1	ZINC000758143814	623493953	/nfs/dbraw/zinc/49/39/53/623493953.db2.gz	WKGZPEIMBISOJP-UHFFFAOYSA-N	-1	0	279.292	3.136	20	30		CGEDRM
C=CC1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1	ZINC000174779071	623766351	/nfs/dbraw/zinc/76/63/51/623766351.db2.gz	DSTUZJMHZPBWNN-UHFFFAOYSA-N	-1	0	288.372	3.155	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000915105838	623895584	/nfs/dbraw/zinc/89/55/84/623895584.db2.gz	GZAGZBVVNJDMMU-JXMROGBWSA-N	-1	0	291.306	3.081	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2cccs2)cc1	ZINC000915106996	623896017	/nfs/dbraw/zinc/89/60/17/623896017.db2.gz	ZQHIQGFQIAHWAE-BQYQJAHWSA-N	-1	0	272.325	3.271	20	30		CGEDRM
Cc1nnc(NN=C(CC(C)(C)C)c2ccccc2)[n-]c1=O	ZINC000915944154	624078805	/nfs/dbraw/zinc/07/88/05/624078805.db2.gz	CSMGBEIITZRKQR-UHFFFAOYSA-N	-1	0	299.378	3.138	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)cc2C)c(=O)c1CCC#N	ZINC000917345754	624260788	/nfs/dbraw/zinc/26/07/88/624260788.db2.gz	IYQLVFZUUGWAMB-GFCCVEGCSA-N	-1	0	275.739	3.291	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000232926286	624452979	/nfs/dbraw/zinc/45/29/79/624452979.db2.gz	AYVVPWFXALXDCA-MRXNPFEDSA-N	-1	0	283.412	3.306	20	30		CGEDRM
O=[N+]([O-])c1cc(C=NNc2cc(F)cc(F)c2)ccc1[O-]	ZINC000920376664	624485698	/nfs/dbraw/zinc/48/56/98/624485698.db2.gz	NDHZGUQSRKQQEY-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000070028900	624940755	/nfs/dbraw/zinc/94/07/55/624940755.db2.gz	KGMOLKHDAOZFBC-GFCCVEGCSA-N	-1	0	283.393	3.404	20	30		CGEDRM
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000255549982	625971179	/nfs/dbraw/zinc/97/11/79/625971179.db2.gz	RKWUTZLQESBBFT-WAYWQWQTSA-N	-1	0	275.285	3.258	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000208982958	625974861	/nfs/dbraw/zinc/97/48/61/625974861.db2.gz	WMXGJMOACGXMIU-DAXSKMNVSA-N	-1	0	260.314	3.358	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=COCCC2)n1	ZINC000080454800	625984208	/nfs/dbraw/zinc/98/42/08/625984208.db2.gz	UEJAKQPMVSRGJR-NSHDSACASA-N	-1	0	276.361	3.137	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000073769445	626063481	/nfs/dbraw/zinc/06/34/81/626063481.db2.gz	NGWKHJPALYEUFW-MRVPVSSYSA-N	-1	0	262.334	3.185	20	30		CGEDRM
CCC(=NO[C@@H]1CCCCO1)c1cc(C(=O)[O-])ccc1F	ZINC000756895245	626739752	/nfs/dbraw/zinc/73/97/52/626739752.db2.gz	JRQHYUPLOHFROM-CQSZACIVSA-N	-1	0	295.310	3.181	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(C)o1	ZINC000756905801	626740257	/nfs/dbraw/zinc/74/02/57/626740257.db2.gz	KZGGBVBZDJXLEH-UHFFFAOYSA-N	-1	0	288.303	3.131	20	30		CGEDRM
C#CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000756996086	626746146	/nfs/dbraw/zinc/74/61/46/626746146.db2.gz	OAXUMIQIEOIESM-MRXNPFEDSA-N	-1	0	296.326	3.155	20	30		CGEDRM
O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccccc1[O-]	ZINC000757474373	626781456	/nfs/dbraw/zinc/78/14/56/626781456.db2.gz	LCIZVDSRKAMSSQ-KHPPLWFESA-N	-1	0	290.322	3.474	20	30		CGEDRM
O=C(/C=C/c1ccc(O)cc1)c1cc(F)cc(F)c1[O-]	ZINC000757476841	626782090	/nfs/dbraw/zinc/78/20/90/626782090.db2.gz	USMIJQCKFIAPMA-ZZXKWVIFSA-N	-1	0	276.238	3.272	20	30		CGEDRM
O=C(/C=C\c1cncnc1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766034939	627289861	/nfs/dbraw/zinc/28/98/61/627289861.db2.gz	VFZTYJLTAVLPRQ-UPHRSURJSA-N	-1	0	295.125	3.385	20	30		CGEDRM
Cc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1C#N	ZINC000766492331	627337962	/nfs/dbraw/zinc/33/79/62/627337962.db2.gz	WFDIGFKTIICVII-XVNBXDOJSA-N	-1	0	279.295	3.174	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2ccc(C)c(C)c2O)c1	ZINC000769762731	627576280	/nfs/dbraw/zinc/57/62/80/627576280.db2.gz	LRRMAOOQYQLUGO-UHFFFAOYSA-N	-1	0	279.339	3.267	20	30		CGEDRM
CC1(C)CCCC[C@H]1NN=Cc1ccccc1C(=O)[O-]	ZINC000773126625	627860594	/nfs/dbraw/zinc/86/05/94/627860594.db2.gz	ZRELDMLOSGWQLU-CQSZACIVSA-N	-1	0	274.364	3.277	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Oc3cc(F)ccc3C2=O)cc1	ZINC000773174470	627865494	/nfs/dbraw/zinc/86/54/94/627865494.db2.gz	VZJUADSFJANWHE-VGOFMYFVSA-N	-1	0	284.242	3.140	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000774136321	627949607	/nfs/dbraw/zinc/94/96/07/627949607.db2.gz	VRTRVDFSIOJNKG-VOTSOKGWSA-N	-1	0	281.311	3.238	20	30		CGEDRM
CC(=NOC1CCCC1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776735324	628228913	/nfs/dbraw/zinc/22/89/13/628228913.db2.gz	ZONZUGUEBQMCHF-UHFFFAOYSA-N	-1	0	276.336	3.080	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=NNc1ccnc(F)c1	ZINC000781128600	628539506	/nfs/dbraw/zinc/53/95/06/628539506.db2.gz	YEGYOHDMJVNOGP-UHFFFAOYSA-N	-1	0	265.675	3.026	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)s1	ZINC000782208369	628624994	/nfs/dbraw/zinc/62/49/94/628624994.db2.gz	ZEMAEMIRUOSKKD-HNQUOIGGSA-N	-1	0	289.337	3.276	20	30		CGEDRM
CCCCCCCCC[C@H](C)CC(=O)[N-]S(C)(=O)=O	ZINC000786265417	628921083	/nfs/dbraw/zinc/92/10/83/628921083.db2.gz	YBUHAJSPTKPLRR-ZDUSSCGKSA-N	-1	0	291.457	3.229	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000787680569	629022040	/nfs/dbraw/zinc/02/20/40/629022040.db2.gz	HZZNSPCNWZSVGE-LLVKDONJSA-N	-1	0	288.372	3.297	20	30		CGEDRM
CC(C)C(CN=Nc1ccc(C(=O)[O-])cn1)C(C)C	ZINC000789034000	629098503	/nfs/dbraw/zinc/09/85/03/629098503.db2.gz	LZGIQTVSXYOZEN-UHFFFAOYSA-N	-1	0	263.341	3.106	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc2ccccc2c1)C(=O)[O-]	ZINC000793073053	629407929	/nfs/dbraw/zinc/40/79/29/629407929.db2.gz	XVRJUCOJZOCYFU-OAHLLOKOSA-N	-1	0	270.332	3.017	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc2c3c(cccc31)CC2)C(=O)[O-]	ZINC000793078952	629408853	/nfs/dbraw/zinc/40/88/53/629408853.db2.gz	PUFNHGBVYMGLDY-INIZCTEOSA-N	-1	0	296.370	3.115	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCCCO1	ZINC000863064914	629466477	/nfs/dbraw/zinc/46/64/77/629466477.db2.gz	CNWBGLHVNHNWPX-ZDUSSCGKSA-N	-1	0	296.754	3.395	20	30		CGEDRM
Cc1nnc(N=NC[C@H](CC(C)C)c2ccccc2)[n-]c1=O	ZINC000794474282	629546079	/nfs/dbraw/zinc/54/60/79/629546079.db2.gz	KAFKOVMGZCRVFF-AWEZNQCLSA-N	-1	0	299.378	3.113	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2n[nH]cc2c1	ZINC000794856027	629589555	/nfs/dbraw/zinc/58/95/55/629589555.db2.gz	DNQDWBMAATXJOY-UHFFFAOYSA-N	-1	0	294.314	3.097	20	30		CGEDRM
O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc([O-])c(F)c1	ZINC000794934709	629602296	/nfs/dbraw/zinc/60/22/96/629602296.db2.gz	MPMDCVVYSMFXMQ-DJWKRKHSSA-N	-1	0	294.228	3.411	20	30		CGEDRM
CCCCCCCNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000864160511	629788294	/nfs/dbraw/zinc/78/82/94/629788294.db2.gz	MSIBCIZICAXVPE-UHFFFAOYSA-N	-1	0	277.364	3.014	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)[O-]	ZINC000864185827	629796253	/nfs/dbraw/zinc/79/62/53/629796253.db2.gz	CQZMBZHHWHVSFC-GFCCVEGCSA-N	-1	0	299.798	3.059	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1	ZINC000802891354	630424575	/nfs/dbraw/zinc/42/45/75/630424575.db2.gz	QJICDGIMFBNXLN-NXEZZACHSA-N	-1	0	298.264	3.181	20	30		CGEDRM
Cc1noc(C)c1/C=C1/C[C@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806560439	630566842	/nfs/dbraw/zinc/56/68/42/630566842.db2.gz	LXVDJEKRMDZZLF-QARUFBMTSA-N	-1	0	297.310	3.130	20	30		CGEDRM
COc1ccccc1/C=C1\Cc2c(ccc([O-])c2F)C1=O	ZINC000806574921	630568549	/nfs/dbraw/zinc/56/85/49/630568549.db2.gz	JIJMPUZFKANKFE-DHZHZOJOSA-N	-1	0	284.286	3.362	20	30		CGEDRM
O=C([O-])[C@H]1CCC(=NOC/C=C/Cl)c2ccccc21	ZINC000811669805	631108540	/nfs/dbraw/zinc/10/85/40/631108540.db2.gz	JIPIELBSOTWAKK-SSMLSSIISA-N	-1	0	279.723	3.122	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CCCCF)c1[O-]	ZINC000812444289	631261339	/nfs/dbraw/zinc/26/13/39/631261339.db2.gz	BYUPKHNCZHHKBB-AUWJEWJLSA-N	-1	0	274.679	3.122	20	30		CGEDRM
Cc1cccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814687570	631622597	/nfs/dbraw/zinc/62/25/97/631622597.db2.gz	LQULEQDXQGJREY-RYUDHWBXSA-N	-1	0	260.337	3.284	20	30		CGEDRM
CC(=NOCc1ccccc1)c1cc(C(=O)[O-])cs1	ZINC000814792530	631641043	/nfs/dbraw/zinc/64/10/43/631641043.db2.gz	UJURFUWITDCOQO-UHFFFAOYSA-N	-1	0	275.329	3.387	20	30		CGEDRM
C[C@H](NN=C1CC[C@H](CC(=O)[O-])[C@H]1C)c1ccccc1	ZINC000814815327	631648134	/nfs/dbraw/zinc/64/81/34/631648134.db2.gz	UFXMWEKPTQDSOO-MBNYWOFBSA-N	-1	0	274.364	3.214	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(Cl)nc2)CC[C@H]1CC(=O)[O-]	ZINC000814858989	631656251	/nfs/dbraw/zinc/65/62/51/631656251.db2.gz	KWDBWOTXGJNQDZ-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOC1CCCC1	ZINC000814894447	631668597	/nfs/dbraw/zinc/66/85/97/631668597.db2.gz	MQIUYOOZUDAPFI-UHFFFAOYSA-N	-1	0	261.321	3.295	20	30		CGEDRM
C[C@@H]1CC(=NOC2CCCCC2)CC[C@H]1C(=O)[O-]	ZINC000814908721	631676653	/nfs/dbraw/zinc/67/66/53/631676653.db2.gz	ANHNBBJALZPIJH-ZWNOBZJWSA-N	-1	0	253.342	3.213	20	30		CGEDRM
CC(N=Nc1ncccc1F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814927535	631685008	/nfs/dbraw/zinc/68/50/08/631685008.db2.gz	SOHMLTSVESCJAS-MNOVXSKESA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@H]1CC(=NNCC2(C)CCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814937423	631691532	/nfs/dbraw/zinc/69/15/32/631691532.db2.gz	GDWYRTODPAWBJP-AAEUAGOBSA-N	-1	0	266.385	3.033	20	30		CGEDRM
CC(=NNCC1(C)CCCC1)c1csc(C(=O)[O-])c1	ZINC000814938152	631692473	/nfs/dbraw/zinc/69/24/73/631692473.db2.gz	WXDYDRQXVFCIAT-UHFFFAOYSA-N	-1	0	280.393	3.340	20	30		CGEDRM
CC[C@@H](C)CON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814939466	631692637	/nfs/dbraw/zinc/69/26/37/631692637.db2.gz	RKJHRXZEMWWOAG-ZGTOLYCTSA-N	-1	0	275.348	3.222	20	30		CGEDRM
CN(Cc1c([O-])ccc(Cl)c1F)CC(C)(C)C#N	ZINC000816632209	632027153	/nfs/dbraw/zinc/02/71/53/632027153.db2.gz	YPBGDENZDJLEHE-UHFFFAOYSA-N	-1	0	270.735	3.166	20	30		CGEDRM
N#CC(=C([O-])C=C[C@H]1CCCO1)c1nc2ccccc2s1	ZINC000819937681	632541292	/nfs/dbraw/zinc/54/12/92/632541292.db2.gz	UQMYYLFZAHDJSL-PKJDGDQJSA-N	-1	0	298.367	3.208	20	30		CGEDRM
C[C@H](N[C@@H]1CCCC1(F)F)c1cccc(C#N)c1[O-]	ZINC000866356182	633097584	/nfs/dbraw/zinc/09/75/84/633097584.db2.gz	JVCLZMTYWCTPIJ-JOYOIKCWSA-N	-1	0	266.291	3.102	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1ccc(-c2nn[nH]n2)cc1	ZINC000824939980	633307738	/nfs/dbraw/zinc/30/77/38/633307738.db2.gz	YQULSLVZVOBYJT-WCQYABFASA-N	-1	0	284.367	3.091	20	30		CGEDRM
CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000826602759	633421036	/nfs/dbraw/zinc/42/10/36/633421036.db2.gz	APDCNUWGZJDQEU-NWDGAFQWSA-N	-1	0	258.321	3.029	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1	ZINC000829618972	633757389	/nfs/dbraw/zinc/75/73/89/633757389.db2.gz	OAOOSTAIUFVQLP-RMKNXTFCSA-N	-1	0	299.326	3.330	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830328145	633851073	/nfs/dbraw/zinc/85/10/73/633851073.db2.gz	NEGDBZQPFRVNJD-UHFFFAOYSA-N	-1	0	291.322	3.256	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CC[C@H]2CC2(Cl)Cl)c1	ZINC000831272295	633935158	/nfs/dbraw/zinc/93/51/58/633935158.db2.gz	UCAPMCMHZOEROZ-VIFPVBQESA-N	-1	0	299.157	3.176	20	30		CGEDRM
CCC[C@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834917017	634287038	/nfs/dbraw/zinc/28/70/38/634287038.db2.gz	ULTAGNBEAPKOAY-SNVBAGLBSA-N	-1	0	284.743	3.251	20	30		CGEDRM
CC[C@@H](C)[C@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834916746	634287306	/nfs/dbraw/zinc/28/73/06/634287306.db2.gz	KFXQVSKBQKDYOZ-RNCFNFMXSA-N	-1	0	298.770	3.497	20	30		CGEDRM
COCC1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000835007851	634312416	/nfs/dbraw/zinc/31/24/16/634312416.db2.gz	AEOQTAVCKIRGLL-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
C[C@]1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCCS1	ZINC000835008175	634312485	/nfs/dbraw/zinc/31/24/85/634312485.db2.gz	CCRGGJZOGSAKSV-CYBMUJFWSA-N	-1	0	282.340	3.207	20	30		CGEDRM
N#C[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835009054	634313342	/nfs/dbraw/zinc/31/33/42/634313342.db2.gz	QOLPLVYLBYOESN-VIFPVBQESA-N	-1	0	275.283	3.006	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCSCC1	ZINC000835009000	634313398	/nfs/dbraw/zinc/31/33/98/634313398.db2.gz	MKAYKWUSDNKVFM-UHFFFAOYSA-N	-1	0	296.367	3.455	20	30		CGEDRM
CSC(C)(C)CCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008643	634313449	/nfs/dbraw/zinc/31/34/49/634313449.db2.gz	IJABOVOPZIUFPI-UHFFFAOYSA-N	-1	0	284.356	3.453	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCCC2CCOCC2)c(F)c1	ZINC000835012788	634316779	/nfs/dbraw/zinc/31/67/79/634316779.db2.gz	UYHHGTKEHIHTSC-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Cc3cc(F)ccc3C2=O)c1	ZINC000126433676	635017622	/nfs/dbraw/zinc/01/76/22/635017622.db2.gz	WTFOTOBJMQWOPJ-QPEQYQDCSA-N	-1	0	282.270	3.346	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H]1CC1(C)C	ZINC000841630800	635201271	/nfs/dbraw/zinc/20/12/71/635201271.db2.gz	DEPUYVKLWNCEDI-JTQLQIEISA-N	-1	0	261.325	3.004	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc(C2CC2)cs1	ZINC000842941690	635521814	/nfs/dbraw/zinc/52/18/14/635521814.db2.gz	SQFXZUCNQUFJBK-GQOHGMTASA-N	-1	0	258.346	3.163	20	30		CGEDRM
COCC(N=Nc1cccc(C(=O)[O-])c1C)C1CCCC1	ZINC000844624344	635945671	/nfs/dbraw/zinc/94/56/71/635945671.db2.gz	PQNYGOMATPZRQY-UHFFFAOYSA-N	-1	0	290.363	3.298	20	30		CGEDRM
CC(C)=CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835406	636105340	/nfs/dbraw/zinc/10/53/40/636105340.db2.gz	AUSMXFNQMDJLCM-GFCCVEGCSA-N	-1	0	287.384	3.485	20	30		CGEDRM
COc1cccc(OC)c1/C=C/C(=O)c1ccccc1[O-]	ZINC000005640603	636119217	/nfs/dbraw/zinc/11/92/17/636119217.db2.gz	CDYOMHRXXAWYOO-ZHACJKMWSA-N	-1	0	284.311	3.306	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cc(C)ccc1C(C)C	ZINC000846541943	636197191	/nfs/dbraw/zinc/19/71/91/636197191.db2.gz	QILUYYQQVVLWOT-CYBMUJFWSA-N	-1	0	277.364	3.120	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(F)cc2F)CCCC1	ZINC000846547139	636198702	/nfs/dbraw/zinc/19/87/02/636198702.db2.gz	IOHIOACOEQLICE-NSHDSACASA-N	-1	0	295.329	3.399	20	30		CGEDRM
CC(=NNc1ccc(CC(=O)[O-])cc1)c1cc(C)c(C)o1	ZINC000848414808	636571918	/nfs/dbraw/zinc/57/19/18/636571918.db2.gz	RWADFQBBMVHKFQ-UHFFFAOYSA-N	-1	0	286.331	3.360	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C(C)C)C(=O)O1	ZINC000848639531	636626351	/nfs/dbraw/zinc/62/63/51/636626351.db2.gz	VTTFGVIQOIDKTB-JJEJIETFSA-N	-1	0	298.338	3.038	20	30		CGEDRM
N#Cc1ccc(COC(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000848951077	636702008	/nfs/dbraw/zinc/70/20/08/636702008.db2.gz	TXIFOTQSCMYETK-UHFFFAOYSA-N	-1	0	287.702	3.274	20	30		CGEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055397	636781153	/nfs/dbraw/zinc/78/11/53/636781153.db2.gz	BOCSFIGUBGHCCL-LLVKDONJSA-N	-1	0	275.414	3.432	20	30		CGEDRM
O=C([N-]S(=O)(=O)C1CCCC1)C1CCCCCC1	ZINC000086056212	636781547	/nfs/dbraw/zinc/78/15/47/636781547.db2.gz	SNJMNPATRQATNT-UHFFFAOYSA-N	-1	0	273.398	3.186	20	30		CGEDRM
Cc1ccccc1CCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056234	636781660	/nfs/dbraw/zinc/78/16/60/636781660.db2.gz	FKGBDNNZRDIMMV-UHFFFAOYSA-N	-1	0	295.404	3.157	20	30		CGEDRM
Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086055257	636781711	/nfs/dbraw/zinc/78/17/11/636781711.db2.gz	HWBWAINDRRPFMZ-UHFFFAOYSA-N	-1	0	295.404	3.075	20	30		CGEDRM
N#C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc(Cl)c1Cl	ZINC000108818591	636850680	/nfs/dbraw/zinc/85/06/80/636850680.db2.gz	LIYUCYXHZJTCFN-SSDOTTSWSA-N	-1	0	297.063	3.237	20	30		CGEDRM
O=C(/C=C/c1ccccc1F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136517596	637389051	/nfs/dbraw/zinc/38/90/51/637389051.db2.gz	DBHDQDIWLWLLTQ-FNORWQNLSA-N	-1	0	287.246	3.336	20	30		CGEDRM
Cc1c(N=NCC2CCSCC2)cccc1C(=O)[O-]	ZINC000853370397	637826763	/nfs/dbraw/zinc/82/67/63/637826763.db2.gz	MDKAKZFMLNBGGK-UHFFFAOYSA-N	-1	0	278.377	3.234	20	30		CGEDRM
Cc1ccc(F)cc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000853393338	637833415	/nfs/dbraw/zinc/83/34/15/637833415.db2.gz	CNQRVPDAXQNCRR-MNOVXSKESA-N	-1	0	278.327	3.423	20	30		CGEDRM
CC(N=Nc1ncc(Cl)cn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000857220535	638476025	/nfs/dbraw/zinc/47/60/25/638476025.db2.gz	KHCCQCWIHZSHIR-VIFPVBQESA-N	-1	0	298.774	3.199	20	30		CGEDRM
O=C1c2ccc(F)cc2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000114992363	638480422	/nfs/dbraw/zinc/48/04/22/638480422.db2.gz	FHQCGTNPBDTSCM-VZUCSPMQSA-N	-1	0	299.257	3.262	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccsc2)c(C)c1	ZINC000042275540	639915621	/nfs/dbraw/zinc/91/56/21/639915621.db2.gz	RVRJQXFDIFBIOE-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1)C1CC1	ZINC000048518398	640056036	/nfs/dbraw/zinc/05/60/36/640056036.db2.gz	FGAKDRKEODCBAZ-XAZJVICWSA-N	-1	0	291.372	3.300	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CC=CCC2)c1	ZINC000049274756	640087596	/nfs/dbraw/zinc/08/75/96/640087596.db2.gz	VZVWMFSVPUGOEO-HGLKBHAMSA-N	-1	0	260.293	3.076	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)c(C)c1	ZINC000088799941	640624572	/nfs/dbraw/zinc/62/45/72/640624572.db2.gz	HJDHJLDBUNCFSO-UHFFFAOYSA-N	-1	0	279.361	3.059	20	30		CGEDRM
N#Cc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1	ZINC001250462124	805631288	/nfs/dbraw/zinc/63/12/88/805631288.db2.gz	MINVLFILPCMALW-UHFFFAOYSA-N	-1	0	280.205	3.224	20	30		CGEDRM
Cc1cc(C)c([N-]S(=O)(=O)c2cccs2)cc1C#N	ZINC001250931351	805804400	/nfs/dbraw/zinc/80/44/00/805804400.db2.gz	BWENDSOTHCWJEB-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cccs2)c1	ZINC000046929241	798890968	/nfs/dbraw/zinc/89/09/68/798890968.db2.gz	BPJOPAHAQRDXRN-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000046929709	798891369	/nfs/dbraw/zinc/89/13/69/798891369.db2.gz	PXDSJZFQYQMUQB-UHFFFAOYSA-N	-1	0	269.366	3.139	20	30		CGEDRM
C=CCOc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176401907	799096486	/nfs/dbraw/zinc/09/64/86/799096486.db2.gz	VZNCEIJGPGJHCI-UHFFFAOYSA-N	-1	0	294.310	3.081	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000588618335	799722410	/nfs/dbraw/zinc/72/24/10/799722410.db2.gz	NQJRJWMWIYIAEW-ALCCZGGFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
Cc1ccsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122631919	802877768	/nfs/dbraw/zinc/87/77/68/802877768.db2.gz	KXKSCTOFAPQBDW-VIFPVBQESA-N	-1	0	260.293	3.081	20	30		CGEDRM
Cc1nc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1CC#N	ZINC001205074036	812848617	/nfs/dbraw/zinc/84/86/17/812848617.db2.gz	DZWUVLLFXYQGFA-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
COc1nc(-c2cc(C)c([O-])c(Cl)c2)c(F)cc1C#N	ZINC001244537261	803423799	/nfs/dbraw/zinc/42/37/99/803423799.db2.gz	ZGLPXBRJAMXMIF-UHFFFAOYSA-N	-1	0	292.697	3.435	20	30		CGEDRM
N#Cc1ccnc(-c2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001244608367	803463643	/nfs/dbraw/zinc/46/36/43/803463643.db2.gz	BSNFQTNSYBBZHQ-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1cc(-c2cc(C(=O)[O-])cnc2F)nc2ccccc12	ZINC001244758161	803521805	/nfs/dbraw/zinc/52/18/05/803521805.db2.gz	HWVIOXXJRMPVML-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1cnc(-c2cc(C(=O)[O-])cnc2F)c2sccc21	ZINC001244759631	803522626	/nfs/dbraw/zinc/52/26/26/803522626.db2.gz	UOYSPXXWEAJKOM-UHFFFAOYSA-N	-1	0	299.286	3.067	20	30		CGEDRM
Cc1cc(-c2cccc(/C=N/O)c2)cc(C)c1C(=O)[O-]	ZINC001244946476	803586384	/nfs/dbraw/zinc/58/63/84/803586384.db2.gz	GWYHEPHOZRQCRX-RQZCQDPDSA-N	-1	0	269.300	3.477	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2C)cc1C#N	ZINC001245300279	803695711	/nfs/dbraw/zinc/69/57/11/803695711.db2.gz	LMETXEILJMGSNK-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cccc(C(=O)[O-])c1C	ZINC001245302992	803696412	/nfs/dbraw/zinc/69/64/12/803696412.db2.gz	FXXVLVZQSDHLNZ-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#CCc1ccccc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245318810	803699950	/nfs/dbraw/zinc/69/99/50/803699950.db2.gz	PSSHKNXJNGQVPW-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1cc2cc(-c3cc(CC(=O)[O-])ccc3F)ccc2[nH]1	ZINC001245318549	803699957	/nfs/dbraw/zinc/69/99/57/803699957.db2.gz	MTYGYJPCHPPLCR-UHFFFAOYSA-N	-1	0	294.285	3.473	20	30		CGEDRM
N#Cc1ncccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211958268	814961235	/nfs/dbraw/zinc/96/12/35/814961235.db2.gz	IJGYJZQUKGUTKF-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
Cc1cnc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001211962604	814961580	/nfs/dbraw/zinc/96/15/80/814961580.db2.gz	JIAPOQIORAGSHX-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1cc(F)cc(F)c1[O-]	ZINC001137810835	803775628	/nfs/dbraw/zinc/77/56/28/803775628.db2.gz	XWVGDLIWBXETNR-VIFPVBQESA-N	-1	0	269.291	3.145	20	30		CGEDRM
N#Cc1cc(-c2cc([O-])c(F)c(F)c2F)nc(C2CC2)n1	ZINC001245635684	803869324	/nfs/dbraw/zinc/86/93/24/803869324.db2.gz	NJAOHOQUOKWTGJ-UHFFFAOYSA-N	-1	0	291.232	3.016	20	30		CGEDRM
N#Cc1cc(-c2c([O-])cccc2F)nc(C(F)(F)F)c1	ZINC001245654972	803886077	/nfs/dbraw/zinc/88/60/77/803886077.db2.gz	TVGJSQPBAKODEX-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CCc1ccnc(-c2cc(Cl)c([O-])cc2F)c1	ZINC001245669393	803897991	/nfs/dbraw/zinc/89/79/91/803897991.db2.gz	QHESOPRZPLBZHG-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3cccc(F)c3)cc2=O)c1	ZINC001245920551	804048293	/nfs/dbraw/zinc/04/82/93/804048293.db2.gz	KWOHMPJCVOBVRT-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(-c3cccc(F)c3)cc2=O)c1	ZINC001245919817	804049571	/nfs/dbraw/zinc/04/95/71/804049571.db2.gz	FHBMFUGKCWLUMN-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(Cc3ccc(F)cc3)[n-]2)cc1	ZINC001245932123	804061099	/nfs/dbraw/zinc/06/10/99/804061099.db2.gz	CFWPQFYFIQXUAM-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
CCCCCc1cc(=O)n(Cc2cccc(C#N)c2)[n-]1	ZINC001245943282	804076393	/nfs/dbraw/zinc/07/63/93/804076393.db2.gz	SSHFFRNUBJBJEO-UHFFFAOYSA-N	-1	0	269.348	3.241	20	30		CGEDRM
Cc1ccc(-c2cc(=O)n(-c3cccc(C#N)c3)[n-]2)s1	ZINC001245947486	804080935	/nfs/dbraw/zinc/08/09/35/804080935.db2.gz	ZDRLPIDTYVAUSB-UHFFFAOYSA-N	-1	0	281.340	3.487	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccc(C(C)C)cc2)CCC1	ZINC001140879280	804540800	/nfs/dbraw/zinc/54/08/00/804540800.db2.gz	ARGVJXLGENXMAR-UHFFFAOYSA-N	-1	0	273.376	3.466	20	30		CGEDRM
Cc1ccc([C@@H](C)C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001144456234	804991478	/nfs/dbraw/zinc/99/14/78/804991478.db2.gz	ZQKWDFVEKIJXOY-LLVKDONJSA-N	-1	0	298.317	3.454	20	30		CGEDRM
N#Cc1cccc(Nc2cc([O-])c(F)c(F)c2F)c1	ZINC001249963442	805330842	/nfs/dbraw/zinc/33/08/42/805330842.db2.gz	WUISSFDOIWQXPO-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(C#N)c1	ZINC001249967219	805332223	/nfs/dbraw/zinc/33/22/23/805332223.db2.gz	SWZIDVFZNXCISG-UHFFFAOYSA-N	-1	0	289.216	3.296	20	30		CGEDRM
C/C(=C/C(=O)Nc1cc(C#N)ccc1[O-])c1cccs1	ZINC001152999754	805378072	/nfs/dbraw/zinc/37/80/72/805378072.db2.gz	HEJXMZUXUHZITA-YFHOEESVSA-N	-1	0	284.340	3.367	20	30		CGEDRM
CC(=O)c1ccc(F)c(C=C([O-])c2cccc(C#N)c2)c1F	ZINC001250287844	805543551	/nfs/dbraw/zinc/54/35/51/805543551.db2.gz	LDMKFAHCXBJDFI-UHFFFAOYSA-N	-1	0	299.276	3.464	20	30		CGEDRM
CCCCCCCCCC[C@H](C)NCS(=O)(=O)[O-]	ZINC001257546277	807195636	/nfs/dbraw/zinc/19/56/36/807195636.db2.gz	FQEIGUGRUUBRJB-ZDUSSCGKSA-N	-1	0	279.446	3.341	20	30		CGEDRM
C=Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258278773	807391993	/nfs/dbraw/zinc/39/19/93/807391993.db2.gz	FTICWLVPPQWLDZ-UHFFFAOYSA-N	-1	0	284.340	3.002	20	30		CGEDRM
N#CCc1ccc(C(F)(F)F)cc1NCc1cc(=O)[n-]o1	ZINC001169492537	807652069	/nfs/dbraw/zinc/65/20/69/807652069.db2.gz	KVTWVHAQKFYPFC-UHFFFAOYSA-N	-1	0	297.236	3.077	20	30		CGEDRM
CC(C)[C@H](C#N)c1ccc(NCc2cc(=O)[n-]o2)cc1	ZINC001169493083	807652450	/nfs/dbraw/zinc/65/24/50/807652450.db2.gz	SISLQFLSXIKEKM-AWEZNQCLSA-N	-1	0	271.320	3.255	20	30		CGEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)s2)c1	ZINC001259118682	807674857	/nfs/dbraw/zinc/67/48/57/807674857.db2.gz	NVVAZEASJYQMAY-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)Nc1cccc(F)c1[O-]	ZINC001171632611	808109868	/nfs/dbraw/zinc/10/98/68/808109868.db2.gz	IIHOIBVBADFJIW-HJWRWDBZSA-N	-1	0	282.274	3.055	20	30		CGEDRM
CC(=O)Nc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001173830660	808696014	/nfs/dbraw/zinc/69/60/14/808696014.db2.gz	ZKJOJDXWAUXTTL-UHFFFAOYSA-N	-1	0	273.317	3.027	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001174507983	809054044	/nfs/dbraw/zinc/05/40/44/809054044.db2.gz	TXCAKUGNJSZESM-UHFFFAOYSA-N	-1	0	282.255	3.018	20	30		CGEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])s2)c(C#N)c1	ZINC001174810393	809168857	/nfs/dbraw/zinc/16/88/57/809168857.db2.gz	MDSCSOUHEIIUOO-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])s2)ccc1F	ZINC001174811057	809168865	/nfs/dbraw/zinc/16/88/65/809168865.db2.gz	VYEHEJBMMKFQDD-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(C#N)c1	ZINC001174982285	809225658	/nfs/dbraw/zinc/22/56/58/809225658.db2.gz	LBQAPDBHEVPEQN-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001175223251	809314893	/nfs/dbraw/zinc/31/48/93/809314893.db2.gz	JGIDOTQTKUJMJQ-UHFFFAOYSA-N	-1	0	298.273	3.342	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175335027	809359386	/nfs/dbraw/zinc/35/93/86/809359386.db2.gz	QAOYMBCYUGUNLI-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1cccc(C(=O)[O-])c1	ZINC001175334475	809359618	/nfs/dbraw/zinc/35/96/18/809359618.db2.gz	GAVGAAFQYLGIPG-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
C#Cc1cccc(Nc2cc(OC)cc(C(=O)[O-])c2)c1	ZINC001213590719	815307706	/nfs/dbraw/zinc/30/77/06/815307706.db2.gz	HCGLMVWAZLDIPV-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
COc1cc(C#N)c(F)cc1Nc1csc(C(=O)[O-])c1	ZINC001176440715	809699546	/nfs/dbraw/zinc/69/95/46/809699546.db2.gz	LRQMYFDSUDYBLI-UHFFFAOYSA-N	-1	0	292.291	3.209	20	30		CGEDRM
C=CCn1cc(Nc2ccc([S-])c(OC)c2)cn1	ZINC001176549098	809715124	/nfs/dbraw/zinc/71/51/24/809715124.db2.gz	DZTGDYYVKOVKBQ-UHFFFAOYSA-N	-1	0	261.350	3.110	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176588912	809724515	/nfs/dbraw/zinc/72/45/15/809724515.db2.gz	JZAFINWLGMBIMP-RUDMXATFSA-N	-1	0	279.299	3.103	20	30		CGEDRM
Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1C#N	ZINC001176680379	809741807	/nfs/dbraw/zinc/74/18/07/809741807.db2.gz	RKZUJFAKTIJLEC-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176715957	809749400	/nfs/dbraw/zinc/74/94/00/809749400.db2.gz	VMDPFPCKVWTPAM-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#C[C@@H](Cc1cccs1)C(=O)Nc1ccccc1[S-]	ZINC001177913170	809830538	/nfs/dbraw/zinc/83/05/38/809830538.db2.gz	YHNRGTVWLHLVBT-SNVBAGLBSA-N	-1	0	288.397	3.358	20	30		CGEDRM
C[C@H](NC(=O)Cc1ccc([S-])cc1)c1cccc(C#N)c1	ZINC001183188018	810139140	/nfs/dbraw/zinc/13/91/40/810139140.db2.gz	SEZNXNTYICFQGV-LBPRGKRZSA-N	-1	0	296.395	3.267	20	30		CGEDRM
Cc1ccc(F)cc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241193	810184257	/nfs/dbraw/zinc/18/42/57/810184257.db2.gz	MTAVSQGLVJCGBP-UHFFFAOYSA-N	-1	0	272.299	3.122	20	30		CGEDRM
Cc1ccc(CCNC(=O)CCC(=O)C2=CC=C[CH]2)c(C)c1	ZINC001184243292	810185263	/nfs/dbraw/zinc/18/52/63/810185263.db2.gz	BXEIHBPIUASUKG-UHFFFAOYSA-N	-1	0	296.390	3.012	20	30		CGEDRM
N#Cc1ccc([N-]c2nonc2C2CC2)c(Cl)c1	ZINC001213994018	815355268	/nfs/dbraw/zinc/35/52/68/815355268.db2.gz	MAXPUPYXFFZPAW-UHFFFAOYSA-N	-1	0	260.684	3.216	20	30		CGEDRM
N#Cc1oc2ccccc2c1NC(=O)c1ccc([O-])cc1F	ZINC001186318273	810327404	/nfs/dbraw/zinc/32/74/04/810327404.db2.gz	FPOOWKWEPZLMBP-UHFFFAOYSA-N	-1	0	296.257	3.401	20	30		CGEDRM
COc1ccccc1[C@H](C)C(=O)Nc1ccc(C#N)cc1O	ZINC001187685383	810416294	/nfs/dbraw/zinc/41/62/94/810416294.db2.gz	BWXWAOQYROZJKF-NSHDSACASA-N	-1	0	296.326	3.015	20	30		CGEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccs2)c1	ZINC001190937143	810657588	/nfs/dbraw/zinc/65/75/88/810657588.db2.gz	DQAUFCNFBGRPJM-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1O	ZINC001214274742	815393580	/nfs/dbraw/zinc/39/35/80/815393580.db2.gz	GPPVPVHGDLZJDU-UHFFFAOYSA-N	-1	0	298.298	3.104	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cc(F)c([O-])cc2F)cc1F	ZINC001192880158	810825838	/nfs/dbraw/zinc/82/58/38/810825838.db2.gz	YCESJSRZHAZLDO-UHFFFAOYSA-N	-1	0	291.228	3.043	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2ccc(C3CCC3)nc2)ccc1[O-]	ZINC001193497795	810898306	/nfs/dbraw/zinc/89/83/06/810898306.db2.gz	AFUGNCUYTJTSIP-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
CCCCCOC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001193773532	810953038	/nfs/dbraw/zinc/95/30/38/810953038.db2.gz	UYPVRWBFXKDDFC-UHFFFAOYSA-N	-1	0	266.272	3.142	20	30		CGEDRM
CCCCCCCCCOC(=O)NCc1cc(=O)[n-]o1	ZINC001194920770	811171347	/nfs/dbraw/zinc/17/13/47/811171347.db2.gz	ONKZEEWCHHJTNI-UHFFFAOYSA-N	-1	0	284.356	3.357	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1	ZINC001214598462	815429746	/nfs/dbraw/zinc/42/97/46/815429746.db2.gz	MTTYUMYAZKLRKE-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
Cn1ccc2cc(NC(=O)c3ccc(C#N)cc3[O-])ccc21	ZINC001195751296	811286356	/nfs/dbraw/zinc/28/63/56/811286356.db2.gz	RFIVRNXTFFHBRU-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
C=CCN(C(=O)c1cc(Cl)ncc1[O-])C1CCCCC1	ZINC001196396555	811340322	/nfs/dbraw/zinc/34/03/22/811340322.db2.gz	VDEKJURQULSQIJ-UHFFFAOYSA-N	-1	0	294.782	3.402	20	30		CGEDRM
N#Cc1cccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)n1	ZINC001214738334	815447612	/nfs/dbraw/zinc/44/76/12/815447612.db2.gz	FTODXMQOHFSXMC-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201229451	811801348	/nfs/dbraw/zinc/80/13/48/811801348.db2.gz	NQTOWXQDFGIROY-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1F	ZINC001215276727	815501976	/nfs/dbraw/zinc/50/19/76/815501976.db2.gz	XPNDIZWITBMMNP-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccsc2C(=O)[O-])c1	ZINC001215392219	815514846	/nfs/dbraw/zinc/51/48/46/815514846.db2.gz	YSAWEQOILYTNSO-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccsc2C(=O)[O-])c1	ZINC001215397716	815516705	/nfs/dbraw/zinc/51/67/05/815516705.db2.gz	NPRANRKUEHRLDK-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203293105	812296459	/nfs/dbraw/zinc/29/64/59/812296459.db2.gz	CYTCSAVZXUKMQK-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1c(Cl)c(Nc2cccc(C#N)n2)ccc1C(=O)[O-]	ZINC001215690892	815559533	/nfs/dbraw/zinc/55/95/33/815559533.db2.gz	WZDUESJMUNTFCH-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(C)c2Cl)cn1	ZINC001215691216	815559772	/nfs/dbraw/zinc/55/97/72/815559772.db2.gz	CKOKOHHYGLJVMY-UHFFFAOYSA-N	-1	0	286.718	3.467	20	30		CGEDRM
N#CCc1ccccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205095535	812860493	/nfs/dbraw/zinc/86/04/93/812860493.db2.gz	KAPOVIIDBAFKSV-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
O=C([O-])c1c(F)ccc(-c2ccccc2C=N[O-])c1F	ZINC001205115853	812872462	/nfs/dbraw/zinc/87/24/62/812872462.db2.gz	UTBMRXGWWSMTSM-UHFFFAOYSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#CCc1ccc(-c2csc(C(=O)[O-])c2)cc1C#N	ZINC001206278484	813269213	/nfs/dbraw/zinc/26/92/13/813269213.db2.gz	IMOSYYHLYRBTDF-UHFFFAOYSA-N	-1	0	268.297	3.051	20	30		CGEDRM
N#CCOc1ccccc1-c1csc(C(=O)[O-])c1	ZINC001206283900	813271577	/nfs/dbraw/zinc/27/15/77/813271577.db2.gz	MIKCGDDAWPYHKL-UHFFFAOYSA-N	-1	0	259.286	3.016	20	30		CGEDRM
Cc1cc(-c2csc(C(=O)[O-])c2)cc(F)c1C#N	ZINC001206291399	813273539	/nfs/dbraw/zinc/27/35/39/813273539.db2.gz	OEZWVDPPBCPUDF-UHFFFAOYSA-N	-1	0	261.277	3.433	20	30		CGEDRM
N#CC1(c2ccnc(-c3cc(F)c([O-])cc3F)c2)CC1	ZINC001206775935	813434636	/nfs/dbraw/zinc/43/46/36/813434636.db2.gz	RLVKQMMMDSIACQ-UHFFFAOYSA-N	-1	0	272.254	3.288	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)s1	ZINC001209887548	814188296	/nfs/dbraw/zinc/18/82/96/814188296.db2.gz	IHDLLXRJIRMFKI-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209888957	814189561	/nfs/dbraw/zinc/18/95/61/814189561.db2.gz	HTNVXXBXUODUCE-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1cc(C#N)cc(Cl)c1Nc1ccc(C(=O)[O-])nc1	ZINC001210178168	814322337	/nfs/dbraw/zinc/32/23/37/814322337.db2.gz	SKQUQSHPTDRLPR-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1O	ZINC001210194466	814330719	/nfs/dbraw/zinc/33/07/19/814330719.db2.gz	RDKKJMCCRJEDHN-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
Cc1oc(Nc2cccc(C(=O)[O-])c2F)c(C#N)c1C	ZINC001210240518	814360730	/nfs/dbraw/zinc/36/07/30/814360730.db2.gz	VVNWTCNEENDAKY-UHFFFAOYSA-N	-1	0	274.251	3.349	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2F)c(C#N)c1	ZINC001210241349	814360754	/nfs/dbraw/zinc/36/07/54/814360754.db2.gz	YKKKSEQSBSYRQW-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C[C@@H](O)c1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001210642556	814567145	/nfs/dbraw/zinc/56/71/45/814567145.db2.gz	QHSVLBPPVKFMFE-MRVPVSSYSA-N	-1	0	260.318	3.122	20	30		CGEDRM
COc1c(Nc2ccc(C#N)cc2)cccc1C(=O)[O-]	ZINC001211037664	814715127	/nfs/dbraw/zinc/71/51/27/814715127.db2.gz	ZAUHMVKRROTAHI-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
C#Cc1ccccc1Nc1cccc(C(=O)[O-])c1OC	ZINC001211037742	814715516	/nfs/dbraw/zinc/71/55/16/814715516.db2.gz	WWXIEEOYCFJBMK-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)ccc2O)cc1C(=O)[O-]	ZINC001211604254	814917189	/nfs/dbraw/zinc/91/71/89/814917189.db2.gz	XCCLAZBVDXBDAP-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1sccc1C#N	ZINC001211616276	814917922	/nfs/dbraw/zinc/91/79/22/814917922.db2.gz	FLWWZAWAJTYQTB-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(C)cc(C#N)cc1C#N	ZINC001211624390	814920271	/nfs/dbraw/zinc/92/02/71/814920271.db2.gz	FELIDDXHTAAARM-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)c(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001216311870	815775711	/nfs/dbraw/zinc/77/57/11/815775711.db2.gz	UPSSRDOBCNCJHU-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
CC(=O)c1cccc(Nc2cc(C#N)c(F)cc2[O-])c1F	ZINC001216502353	815844847	/nfs/dbraw/zinc/84/48/47/815844847.db2.gz	ORPZKJOOAQJSNK-UHFFFAOYSA-N	-1	0	288.253	3.488	20	30		CGEDRM
Cc1ccc(-c2noc(-c3ccc(C#N)cc3[O-])n2)c(F)c1	ZINC001217039789	815907879	/nfs/dbraw/zinc/90/78/79/815907879.db2.gz	NSXCQTKZIMCGQA-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccccc2C(=O)[O-])c1	ZINC001242879669	823162482	/nfs/dbraw/zinc/16/24/82/823162482.db2.gz	APKRGKXWLRBKAG-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
CCOC(=O)c1cc(-c2ccccc2C(=O)[O-])ccc1C#N	ZINC001242880622	823163152	/nfs/dbraw/zinc/16/31/52/823163152.db2.gz	JJYOOTCDBASVDO-UHFFFAOYSA-N	-1	0	295.294	3.100	20	30		CGEDRM
N#CCOc1ccccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222407969	816436081	/nfs/dbraw/zinc/43/60/81/816436081.db2.gz	NMOPFIYHQIQGKI-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
C[C@H](OCCOc1ccccc1C#N)C1=CC=C[CH]1	ZINC001222424819	816441406	/nfs/dbraw/zinc/44/14/06/816441406.db2.gz	YSUMPOKKJHTRQA-ZDUSSCGKSA-N	-1	0	254.309	3.043	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222690455	816500319	/nfs/dbraw/zinc/50/03/19/816500319.db2.gz	KDQYJAOCJYKAAG-UHFFFAOYSA-N	-1	0	293.322	3.372	20	30		CGEDRM
N#Cc1cc(-c2ccc(F)c([O-])c2)nc(C(F)(F)F)c1	ZINC001243054769	823230024	/nfs/dbraw/zinc/23/00/24/823230024.db2.gz	RTWNUADTOVBYEN-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1	ZINC001225493156	817073691	/nfs/dbraw/zinc/07/36/91/817073691.db2.gz	BGNJWYFVWHILAZ-CQSZACIVSA-N	-1	0	288.234	3.083	20	30		CGEDRM
C=C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225562906	817093508	/nfs/dbraw/zinc/09/35/08/817093508.db2.gz	NXSJNXSPMMXJAD-SNVBAGLBSA-N	-1	0	262.696	3.142	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884927	817206059	/nfs/dbraw/zinc/20/60/59/817206059.db2.gz	JFZKEOYOOWJRRJ-BQBZGAKWSA-N	-1	0	274.213	3.129	20	30		CGEDRM
CCC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)[C@@H](C)CC	ZINC001226008518	817246777	/nfs/dbraw/zinc/24/67/77/817246777.db2.gz	HWGDGAKEOZPJFG-JOYOIKCWSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CC(C)C1CCC(Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226008868	817246812	/nfs/dbraw/zinc/24/68/12/817246812.db2.gz	NAURFMSHQFVMLZ-UHFFFAOYSA-N	-1	0	278.327	3.392	20	30		CGEDRM
C[C@@H](CCc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008123	817246965	/nfs/dbraw/zinc/24/69/65/817246965.db2.gz	DSBIFILBGRGCOT-NSHDSACASA-N	-1	0	286.306	3.198	20	30		CGEDRM
C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)[C@H]1C	ZINC001226008629	817247451	/nfs/dbraw/zinc/24/74/51/817247451.db2.gz	KXULAHXMLHXDKC-VDDIYKPWSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC(C)[C@H]1CC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226008869	817247560	/nfs/dbraw/zinc/24/75/60/817247560.db2.gz	NAURFMSHQFVMLZ-UMSPYCQHSA-N	-1	0	278.327	3.392	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C1CCC1	ZINC001226063560	817262079	/nfs/dbraw/zinc/26/20/79/817262079.db2.gz	IVZGHOPUVMQAFX-SSDOTTSWSA-N	-1	0	286.253	3.245	20	30		CGEDRM
N#Cc1c(O[C@@H]2C[C@@H]3CC[C@H]2C3)[n-]c(=O)cc1C(F)(F)F	ZINC001226066526	817262206	/nfs/dbraw/zinc/26/22/06/817262206.db2.gz	BJTTWOJFALOFQH-VHSKPIJISA-N	-1	0	298.264	3.245	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(C)C	ZINC001226067672	817263693	/nfs/dbraw/zinc/26/36/93/817263693.db2.gz	JXEXRUDIAFZQHK-JTQLQIEISA-N	-1	0	288.269	3.491	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(C)cc(=O)[n-]2)C1	ZINC001226156569	817287266	/nfs/dbraw/zinc/28/72/66/817287266.db2.gz	PAALLFIPTPCXOI-QWHCGFSZSA-N	-1	0	260.337	3.170	20	30		CGEDRM
C=CCC[C@H](CC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226345847	817331669	/nfs/dbraw/zinc/33/16/69/817331669.db2.gz	GPFXCVGHPIZXNE-QMMMGPOBSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C=CC[C@H](CCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226347524	817333440	/nfs/dbraw/zinc/33/34/40/817333440.db2.gz	UEZYIWPWBXRWLO-MRVPVSSYSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C=C[C@H](C#CC(C)(C)C)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481064	817371570	/nfs/dbraw/zinc/37/15/70/817371570.db2.gz	BVMRASCAIDJXME-GFCCVEGCSA-N	-1	0	288.343	3.283	20	30		CGEDRM
C=CC[C@H](Oc1ccc(O)c(C#N)c1C#N)C(C)C	ZINC001227623896	817686516	/nfs/dbraw/zinc/68/65/16/817686516.db2.gz	VAEDEYBHPAVDHJ-AWEZNQCLSA-N	-1	0	256.305	3.115	20	30		CGEDRM
COc1cc(-c2ccc(C)c(C(=O)[O-])c2)ccc1CC#N	ZINC001243194171	823283919	/nfs/dbraw/zinc/28/39/19/823283919.db2.gz	CQRDEFBAVXEFTE-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1ccc(-c2ccc(/C=N/O)c(F)c2)cc1C(=O)[O-]	ZINC001243195402	823284824	/nfs/dbraw/zinc/28/48/24/823284824.db2.gz	PCOYNTNASBRFBE-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
Cc1cc(-c2ccc3c(c2)CC/C3=N/O)ccc1C(=O)[O-]	ZINC001243218843	823298191	/nfs/dbraw/zinc/29/81/91/823298191.db2.gz	VGOQJJZNQNRUIX-VLGSPTGOSA-N	-1	0	281.311	3.485	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(C(=O)[O-])c(C)c2)c1	ZINC001243214866	823295800	/nfs/dbraw/zinc/29/58/00/823295800.db2.gz	IZXIBABKQJEUMM-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228436448	817906199	/nfs/dbraw/zinc/90/61/99/817906199.db2.gz	CQLUQJJOVOLROR-LBPRGKRZSA-N	-1	0	290.392	3.075	20	30		CGEDRM
C=C[C@@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228859254	818024901	/nfs/dbraw/zinc/02/49/01/818024901.db2.gz	JWUCUROQNNHEGU-LURJTMIESA-N	-1	0	292.213	3.058	20	30		CGEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)c2ccccc2C#N)[n-]1	ZINC001231264306	818068029	/nfs/dbraw/zinc/06/80/29/818068029.db2.gz	QCQSOZCWVQYAHQ-JTQLQIEISA-N	-1	0	299.286	3.016	20	30		CGEDRM
C=CC[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(C)C	ZINC001234334227	818839135	/nfs/dbraw/zinc/83/91/35/818839135.db2.gz	FEIZDIRSHBUEOX-CYBMUJFWSA-N	-1	0	286.264	3.138	20	30		CGEDRM
C=CC[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(C)C	ZINC001234334228	818839380	/nfs/dbraw/zinc/83/93/80/818839380.db2.gz	FEIZDIRSHBUEOX-ZDUSSCGKSA-N	-1	0	286.264	3.138	20	30		CGEDRM
C[C@@H](CS)Oc1ccc2[n-]c(=S)sc2c1	ZINC001234422990	818851535	/nfs/dbraw/zinc/85/15/35/818851535.db2.gz	BDUDCVZYMSVSPO-LURJTMIESA-N	-1	0	257.405	3.282	20	30		CGEDRM
CCC[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)C	ZINC001234529154	818874545	/nfs/dbraw/zinc/87/45/45/818874545.db2.gz	CDAUDAPOFDZJLB-AWEZNQCLSA-N	-1	0	285.347	3.411	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)(C)C	ZINC001234530107	818875881	/nfs/dbraw/zinc/87/58/81/818875881.db2.gz	HIIZBWXYPVSVPL-CYBMUJFWSA-N	-1	0	285.347	3.411	20	30		CGEDRM
CC(=O)O/N=C(/C)c1ccccc1O[C@@H](C)C1=CC=C[CH]1	ZINC001234846434	818932530	/nfs/dbraw/zinc/93/25/30/818932530.db2.gz	MVQQEIKJBKIMPG-CYUIRQCWSA-N	-1	0	284.335	3.441	20	30		CGEDRM
CN(CC#N)Cc1cccc(-c2ccccc2)c1O	ZINC001234997309	818971874	/nfs/dbraw/zinc/97/18/74/818971874.db2.gz	XLOARGMJDKEHNT-UHFFFAOYSA-N	-1	0	252.317	3.015	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235458797	819104211	/nfs/dbraw/zinc/10/42/11/819104211.db2.gz	LQKGSUURSVAQCO-RMKNXTFCSA-N	-1	0	267.259	3.462	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])cc2)c1F	ZINC001236061580	819293706	/nfs/dbraw/zinc/29/37/06/819293706.db2.gz	ZHQZAZQDQDZWCB-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cc(F)cc(F)c2[O-])n1	ZINC001243499889	823421110	/nfs/dbraw/zinc/42/11/10/823421110.db2.gz	HQRTXTIDXDLHHM-UHFFFAOYSA-N	-1	0	278.258	3.001	20	30		CGEDRM
O=C([O-])c1ccc(-c2cccc(/C=N/O)c2)c(F)c1F	ZINC001243513341	823426998	/nfs/dbraw/zinc/42/69/98/823426998.db2.gz	DNVMXGIDQZQZGG-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#C[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F	ZINC001238147744	819942659	/nfs/dbraw/zinc/94/26/59/819942659.db2.gz	AXJVEXMRIFSXBJ-JTQLQIEISA-N	-1	0	268.719	3.063	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(/C=N/O)ccc1F	ZINC001240736343	821288999	/nfs/dbraw/zinc/28/89/99/821288999.db2.gz	AYRBVEYWBKFOQN-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccccc1CS	ZINC001240736082	821289584	/nfs/dbraw/zinc/28/95/84/821289584.db2.gz	JJJNHVJJLUQLHV-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
C=C(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1	ZINC001240834267	821361224	/nfs/dbraw/zinc/36/12/24/821361224.db2.gz	PCOHPXFZZJGZHQ-UHFFFAOYSA-N	-1	0	288.372	3.224	20	30		CGEDRM
COC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2C)c(C#N)c1	ZINC001241000814	821479664	/nfs/dbraw/zinc/47/96/64/821479664.db2.gz	MKJNAUVUJGNCQQ-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2c(F)cc([O-])cc2F)c1	ZINC001241123191	821579788	/nfs/dbraw/zinc/57/97/88/821579788.db2.gz	UQGXURQPPJXLPK-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
N#Cc1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)ccn1	ZINC001241195790	821630329	/nfs/dbraw/zinc/63/03/29/821630329.db2.gz	LAAZILKOEGXXED-DNTJNYDQSA-N	-1	0	291.232	3.447	20	30		CGEDRM
Nc1cc(C(F)(F)F)c(-c2cc(/C=N/[O-])ccc2F)cn1	ZINC001241683180	822066582	/nfs/dbraw/zinc/06/65/82/822066582.db2.gz	FULWCLRQMXBYBZ-DENHBWNVSA-N	-1	0	299.227	3.297	20	30		CGEDRM
COc1cccc(-c2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001241828562	822167003	/nfs/dbraw/zinc/16/70/03/822167003.db2.gz	FEFSMBRRYSJKLB-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#CCc1cc(F)cc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241836940	822172755	/nfs/dbraw/zinc/17/27/55/822172755.db2.gz	GWGKRJJCEQCIBT-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1cc(C#N)c(-c2cccc(C(=O)[O-])c2F)nc1C	ZINC001242377831	822973328	/nfs/dbraw/zinc/97/33/28/822973328.db2.gz	JJOYJIKCQXXLJH-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1cccc(C(=O)[O-])c1F	ZINC001242379814	822974548	/nfs/dbraw/zinc/97/45/48/822974548.db2.gz	NQCISQVDMKAOOA-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(F)cc1CC#N	ZINC001242391390	822979265	/nfs/dbraw/zinc/97/92/65/822979265.db2.gz	NWTYFIMZQRZYQF-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C#CCN(CC1CC1)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001342423524	936466910	/nfs/dbraw/zinc/46/69/10/936466910.db2.gz	KFHHTLUKPLWDCS-UHFFFAOYSA-N	-1	0	298.169	3.184	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1C1CC1)c1ncc(F)cc1F	ZINC001346762796	936860793	/nfs/dbraw/zinc/86/07/93/936860793.db2.gz	GVJOIUAQEDRXQS-NSHDSACASA-N	-1	0	288.253	3.320	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)c1cccc(F)c1[O-]	ZINC001358106588	937187695	/nfs/dbraw/zinc/18/76/95/937187695.db2.gz	QNBUTLFCSGTALL-UHFFFAOYSA-N	-1	0	285.318	3.360	20	30		CGEDRM
C#C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC001448615559	937375969	/nfs/dbraw/zinc/37/59/69/937375969.db2.gz	WAJXGQFRXIEORF-LLVKDONJSA-N	-1	0	286.158	3.087	20	30		CGEDRM
C=C1CCC(CNC(=O)c2cc(F)cc(F)c2[O-])CC1	ZINC001455549666	937418520	/nfs/dbraw/zinc/41/85/20/937418520.db2.gz	VORXNNYMVFIPLX-UHFFFAOYSA-N	-1	0	281.302	3.147	20	30		CGEDRM
C#C[C@H](Oc1ccc([S-])cc1C)c1ccncc1	ZINC001229637357	932183249	/nfs/dbraw/zinc/18/32/49/932183249.db2.gz	KBWJJMNIQZJKHG-AWEZNQCLSA-N	-1	0	255.342	3.432	20	30		CGEDRM
C#C[C@@H](Oc1ccc([S-])cc1C)c1ccncc1	ZINC001229637358	932183619	/nfs/dbraw/zinc/18/36/19/932183619.db2.gz	KBWJJMNIQZJKHG-CQSZACIVSA-N	-1	0	255.342	3.432	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074766	932672195	/nfs/dbraw/zinc/67/21/95/932672195.db2.gz	SOBJZPCMXCWZHU-MRVPVSSYSA-N	-1	0	296.367	3.340	20	30		CGEDRM
C=C(C)COc1cccc(NC(=O)c2ncc(C)cc2[O-])c1	ZINC001464784919	937695054	/nfs/dbraw/zinc/69/50/54/937695054.db2.gz	ATVVYSPIRNHTLN-UHFFFAOYSA-N	-1	0	298.342	3.303	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)CC1CCCCC1)C(=O)[O-]	ZINC001334960686	936123898	/nfs/dbraw/zinc/12/38/98/936123898.db2.gz	CYJRQSXUVYFEFT-OCCSQVGLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
N#CC(=C([O-])C=Cc1nccs1)c1nc2ccccc2o1	ZINC001516674718	938009315	/nfs/dbraw/zinc/00/93/15/938009315.db2.gz	GHPQQGNLCOFYHR-PORFMDCZSA-N	-1	0	295.323	3.174	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602718951	971379726	/nfs/dbraw/zinc/37/97/26/971379726.db2.gz	GQQPPXLIHQLOKD-QGZVFWFLSA-N	-1	0	293.407	3.440	20	30		CGEDRM
CCCCCCCCNC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000164127651	949413545	/nfs/dbraw/zinc/41/35/45/949413545.db2.gz	YXFBMBQKVMGDNM-GFCCVEGCSA-N	-1	0	271.401	3.210	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-]	ZINC000232913344	949793010	/nfs/dbraw/zinc/79/30/10/949793010.db2.gz	GLAFHWKQWBBWQK-ZFWWWQNUSA-N	-1	0	283.412	3.449	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000382025669	971796202	/nfs/dbraw/zinc/79/62/02/971796202.db2.gz	PRDMHXBUPKDTGG-UHFFFAOYSA-N	-1	0	275.348	3.251	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C#N)ccc2C)c1	ZINC001594288347	957796206	/nfs/dbraw/zinc/79/62/06/957796206.db2.gz	LIJHVPBJHFDHMT-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000113651088	958448114	/nfs/dbraw/zinc/44/81/14/958448114.db2.gz	MDKCZEQQJFJZGM-QWHCGFSZSA-N	-1	0	269.385	3.107	20	30		CGEDRM
C[C@H](CSCc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000162519643	959216625	/nfs/dbraw/zinc/21/66/25/959216625.db2.gz	YUNOMZFZRVUQJM-MRVPVSSYSA-N	-1	0	269.753	3.166	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccsc1C(=O)[O-]	ZINC001588800000	960491897	/nfs/dbraw/zinc/49/18/97/960491897.db2.gz	VPMIOFNESPDZBT-UHFFFAOYSA-N	-1	0	281.377	3.265	20	30		CGEDRM
C=CC[C@@H](Sc1nc(C)nc2ccccc21)C(=O)[O-]	ZINC001588757647	960492286	/nfs/dbraw/zinc/49/22/86/960492286.db2.gz	BPULGFBDGRXWQV-GFCCVEGCSA-N	-1	0	274.345	3.060	20	30		CGEDRM
CCCCCCCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001603640775	960554224	/nfs/dbraw/zinc/55/42/24/960554224.db2.gz	RIMAWYRJHWDNHY-INIZCTEOSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(C)CCCC(=O)[O-])c1	ZINC001573329501	962246310	/nfs/dbraw/zinc/24/63/10/962246310.db2.gz	HJWNIIRSFYQBCH-UHFFFAOYSA-N	-1	0	276.336	3.048	20	30		CGEDRM
C#CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001573302944	962666970	/nfs/dbraw/zinc/66/69/70/962666970.db2.gz	SHCQLBKJVQJWRL-UHFFFAOYSA-N	-1	0	296.326	3.071	20	30		CGEDRM
C=C(C)CCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001573324655	962788465	/nfs/dbraw/zinc/78/84/65/962788465.db2.gz	WVZPIILVMUYHQD-UHFFFAOYSA-N	-1	0	299.330	3.021	20	30		CGEDRM
C=CC(C)(C)CC(=O)Oc1ccc(SCC(=O)[O-])cc1	ZINC001573347055	962945512	/nfs/dbraw/zinc/94/55/12/962945512.db2.gz	IONDGZPCFKIYII-UHFFFAOYSA-N	-1	0	294.372	3.371	20	30		CGEDRM
N#CC1(NC(=O)c2cc(Cl)cc(Cl)c2[O-])CCCC1	ZINC001585387874	963010510	/nfs/dbraw/zinc/01/05/10/963010510.db2.gz	SIWHLIGRUCKFDK-UHFFFAOYSA-N	-1	0	299.157	3.265	20	30		CGEDRM
C=CCCN(OCc1ccccc1)[C@H](CC=C)C(=O)[O-]	ZINC001573360113	963031904	/nfs/dbraw/zinc/03/19/04/963031904.db2.gz	HWAZCWHMFHWMMJ-OAHLLOKOSA-N	-1	0	275.348	3.026	20	30		CGEDRM
C=CCCO[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC001586065562	963062794	/nfs/dbraw/zinc/06/27/94/963062794.db2.gz	DRWZSBQABXZYPR-RRFJBIMHSA-N	-1	0	283.412	3.088	20	30		CGEDRM
C=C(C)CCSCc1ccccc1-c1nn[nH]n1	ZINC001588423864	963269862	/nfs/dbraw/zinc/26/98/62/963269862.db2.gz	CAHXGGWSHDJLLX-UHFFFAOYSA-N	-1	0	260.366	3.066	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588390692	963271619	/nfs/dbraw/zinc/27/16/19/963271619.db2.gz	BPPCRHGSYCNTQS-UHFFFAOYSA-N	-1	0	297.713	3.309	20	30		CGEDRM
C#C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1	ZINC001588377572	963272100	/nfs/dbraw/zinc/27/21/00/963272100.db2.gz	NEJKLXOVQZGDNE-CVEARBPZSA-N	-1	0	299.757	3.430	20	30		CGEDRM
C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001588368824	963272399	/nfs/dbraw/zinc/27/23/99/963272399.db2.gz	SWIYHHUWTMFTLK-GFCCVEGCSA-N	-1	0	283.327	3.098	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)C(CC)(CC)C(=O)[O-]	ZINC001588463247	963275877	/nfs/dbraw/zinc/27/58/77/963275877.db2.gz	HUDMZYRKJAQHNV-UHFFFAOYSA-N	-1	0	295.423	3.472	20	30		CGEDRM
C#CCCOC(=O)Oc1cc2ccccc2cc1C(=O)[O-]	ZINC001588455415	963277845	/nfs/dbraw/zinc/27/78/45/963277845.db2.gz	MQVAKOWJDCJZOC-UHFFFAOYSA-N	-1	0	284.267	3.077	20	30		CGEDRM
C#Cc1ccc(NCc2c3ccccc3[nH]c2C(=O)[O-])cc1	ZINC001588518262	963279776	/nfs/dbraw/zinc/27/97/76/963279776.db2.gz	YPVCWLUFHMJQMS-UHFFFAOYSA-N	-1	0	290.322	3.460	20	30		CGEDRM
C=C[C@@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1	ZINC001588452462	963279805	/nfs/dbraw/zinc/27/98/05/963279805.db2.gz	PLKMGKPZURYSHD-CFRMROPGSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588536999	963283388	/nfs/dbraw/zinc/28/33/88/963283388.db2.gz	WJWTUMNFAJLQSY-QMMMGPOBSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C(C)CON=C(CCCCC(=O)[O-])C(F)(F)F	ZINC001588573453	963286581	/nfs/dbraw/zinc/28/65/81/963286581.db2.gz	LKZLWWCUMNEUPI-UHFFFAOYSA-N	-1	0	267.247	3.142	20	30		CGEDRM
C=C(C)CCSCCOc1cccc(C(=O)[O-])c1	ZINC001588561652	963287786	/nfs/dbraw/zinc/28/77/86/963287786.db2.gz	SHOMNZRILNBPTK-UHFFFAOYSA-N	-1	0	266.362	3.463	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)c1ccc(CC)cc1	ZINC001588612313	963295380	/nfs/dbraw/zinc/29/53/80/963295380.db2.gz	MHMFKGNWNXRHMV-UHFFFAOYSA-N	-1	0	275.348	3.023	20	30		CGEDRM
C=C(Cl)CN[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F	ZINC001588643881	963296562	/nfs/dbraw/zinc/29/65/62/963296562.db2.gz	WAYKSNJERZDGHE-SNVBAGLBSA-N	-1	0	293.672	3.330	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(CCC(=O)[O-])c1cccc(F)c1	ZINC001588691162	963304085	/nfs/dbraw/zinc/30/40/85/963304085.db2.gz	SOQDGKDGHPFUQE-GFCCVEGCSA-N	-1	0	293.338	3.236	20	30		CGEDRM
C=C[C@H](CC)CC(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC001588691276	963305765	/nfs/dbraw/zinc/30/57/65/963305765.db2.gz	WJEJGMMBMICCKI-VEAWUBTESA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC001588786159	963318274	/nfs/dbraw/zinc/31/82/74/963318274.db2.gz	NBMRZLNDTPCCMQ-UPJWGTAASA-N	-1	0	283.412	3.230	20	30		CGEDRM
C=CCc1ccc(OCc2cccc(C(=O)[O-])n2)c(OC)c1	ZINC001588887044	963326796	/nfs/dbraw/zinc/32/67/96/963326796.db2.gz	ZRGCAURZYLVRQD-UHFFFAOYSA-N	-1	0	299.326	3.096	20	30		CGEDRM
C/C(=C/C(=O)[O-])CSc1cccc(Cl)c1C#N	ZINC001588951908	963332103	/nfs/dbraw/zinc/33/21/03/963332103.db2.gz	HGMHAPWSWDYUFU-YVMONPNESA-N	-1	0	267.737	3.335	20	30		CGEDRM
CC(=NOCC1(C(=O)[O-])CC1)c1cc2ccccc2o1	ZINC001589021104	963341520	/nfs/dbraw/zinc/34/15/20/963341520.db2.gz	KLESQRNJDDIUJB-UHFFFAOYSA-N	-1	0	273.288	3.038	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588440759	964043383	/nfs/dbraw/zinc/04/33/83/964043383.db2.gz	PHMPUPUWACRGTL-UHFFFAOYSA-N	-1	0	287.359	3.469	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000393735639	972634082	/nfs/dbraw/zinc/63/40/82/972634082.db2.gz	IYVNMOSDOGFRAK-SECBINFHSA-N	-1	0	280.299	3.000	20	30		CGEDRM
CCCCCCCNC(=O)Nc1ccccc1CC(=O)[O-]	ZINC001603640363	973981941	/nfs/dbraw/zinc/98/19/41/973981941.db2.gz	DLOHLKLKFGHTIU-UHFFFAOYSA-N	-1	0	292.379	3.406	20	30		CGEDRM
CC[C@](C/N=C/c1ccccc1O)(C(=O)[O-])c1ccccc1	ZINC001595130891	979544945	/nfs/dbraw/zinc/54/49/45/979544945.db2.gz	DPAOZQSYRFGWDC-LSCADSNKSA-N	-1	0	297.354	3.244	20	30		CGEDRM
CCN(CCC#N)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001596299550	983724610	/nfs/dbraw/zinc/72/46/10/983724610.db2.gz	OCFRNHYPQGOPST-UHFFFAOYSA-N	-1	0	298.342	3.380	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1	ZINC001599966158	985910384	/nfs/dbraw/zinc/91/03/84/985910384.db2.gz	IOLNJDWRXSNRHT-VOTSOKGWSA-N	-1	0	294.310	3.399	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001594722255	987210781	/nfs/dbraw/zinc/21/07/81/987210781.db2.gz	MBXJKRPCGIPKIP-UHFFFAOYSA-N	-1	0	280.349	3.023	20	30		CGEDRM
CCc1ccccc1NN=Cc1cccn1[C@H](C)C(=O)[O-]	ZINC001597614578	988520376	/nfs/dbraw/zinc/52/03/76/988520376.db2.gz	DDTXTRBATKXUTH-GFCCVEGCSA-N	-1	0	285.347	3.142	20	30		CGEDRM
CC(C)[C@@H](C)S[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590975443	991117383	/nfs/dbraw/zinc/11/73/83/991117383.db2.gz	DDJFDMNJKRBCCQ-ZWNOBZJWSA-N	-1	0	263.362	3.462	20	30		CGEDRM
C[C@@H](SCc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC001593661670	996039440	/nfs/dbraw/zinc/03/94/40/996039440.db2.gz	KSGLCVWTMDAYMU-SSDOTTSWSA-N	-1	0	289.278	3.283	20	30		CGEDRM
CC1(C)CC(N=Nc2cccc(C(=O)[O-])c2F)C(C)(C)O1	ZINC001593842529	996604260	/nfs/dbraw/zinc/60/42/60/996604260.db2.gz	OCNRKLXAAPROEU-UHFFFAOYSA-N	-1	0	294.326	3.269	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2ccc(F)c(C(=O)[O-])c2)CC1	ZINC001599102805	997419932	/nfs/dbraw/zinc/41/99/32/997419932.db2.gz	JXNJIFFHGIJSBA-GFCCVEGCSA-N	-1	0	294.326	3.271	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2F)CC1	ZINC001599103371	997430099	/nfs/dbraw/zinc/43/00/99/997430099.db2.gz	MGOLFACDALEPMJ-LLVKDONJSA-N	-1	0	294.326	3.271	20	30		CGEDRM
COCC[C@H]1CCCC1N=Nc1ccc(C)c(C(=O)[O-])c1	ZINC001599220441	997657660	/nfs/dbraw/zinc/65/76/60/997657660.db2.gz	HCAXOKLYVSMSFE-GFCCVEGCSA-N	-1	0	290.363	3.298	20	30		CGEDRM
CCS[C@@H]1CCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000590583953	346852449	/nfs/dbraw/zinc/85/24/49/346852449.db2.gz	JAFLRMYONFMWHV-VXNVDRBHSA-N	-1	0	287.841	3.176	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1	ZINC000041556464	344971527	/nfs/dbraw/zinc/97/15/27/344971527.db2.gz	MVEKWFVCKRRCFM-SNVBAGLBSA-N	-1	0	294.232	3.492	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000041504673	344971698	/nfs/dbraw/zinc/97/16/98/344971698.db2.gz	CWJZFCVQJPMSLV-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000050212876	345078875	/nfs/dbraw/zinc/07/88/75/345078875.db2.gz	XGGCFUQAGDFDPN-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
N#Cc1ccc(N2CCC[C@H](CCC(=O)[O-])C2)cc1Cl	ZINC000061845378	345236171	/nfs/dbraw/zinc/23/61/71/345236171.db2.gz	VYFDIDUMNNQEEB-LLVKDONJSA-N	-1	0	292.766	3.293	20	30		CGEDRM
CC(C)C[C@H](CNc1ccc(C#N)cc1F)CC(=O)[O-]	ZINC000088274138	345758319	/nfs/dbraw/zinc/75/83/19/345758319.db2.gz	IFLXKKBBQAMRON-LBPRGKRZSA-N	-1	0	278.327	3.246	20	30		CGEDRM
CC(C)CCN(CCC#N)C(=O)c1c([O-])cc(F)cc1F	ZINC000084410021	345733410	/nfs/dbraw/zinc/73/34/10/345733410.db2.gz	RXKBOPQCPHQGJU-UHFFFAOYSA-N	-1	0	296.317	3.072	20	30		CGEDRM
N#CC1(CC(=O)Nc2cccc(C(=O)[O-])c2)CCCCC1	ZINC000595989431	347373286	/nfs/dbraw/zinc/37/32/86/347373286.db2.gz	PLNLDMGEZNLDHO-UHFFFAOYSA-N	-1	0	286.331	3.187	20	30		CGEDRM
CC(C)C[C@H](CNc1ncc(C#N)cc1Cl)CC(=O)[O-]	ZINC000595970975	347373576	/nfs/dbraw/zinc/37/35/76/347373576.db2.gz	BUUITBSCDOMLOE-JTQLQIEISA-N	-1	0	295.770	3.156	20	30		CGEDRM
CC(C)c1cc(=O)n(-c2ccc(C#N)cc2C(F)(F)F)[n-]1	ZINC000601946581	347927729	/nfs/dbraw/zinc/92/77/29/347927729.db2.gz	CPIOTLBTGUQVEL-UHFFFAOYSA-N	-1	0	295.264	3.326	20	30		CGEDRM
Cc1[n-]n([C@@H]2CCCCC2(C)C)c(=O)c1CCC#N	ZINC000601947298	347927899	/nfs/dbraw/zinc/92/78/99/347927899.db2.gz	UJKUUYYXTICKNB-QWHCGFSZSA-N	-1	0	261.369	3.093	20	30		CGEDRM
C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(C#N)c1	ZINC000610786970	348403327	/nfs/dbraw/zinc/40/33/27/348403327.db2.gz	VVTDAWCVVNNUMS-NSHDSACASA-N	-1	0	297.314	3.023	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(=O)n(C)[n-]1	ZINC000613900719	348639267	/nfs/dbraw/zinc/63/92/67/348639267.db2.gz	IBJSLRYVZYAQQO-UHFFFAOYSA-N	-1	0	299.374	3.230	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1	ZINC000617782373	349011425	/nfs/dbraw/zinc/01/14/25/349011425.db2.gz	DLMMKLSYIQTIPM-JTQLQIEISA-N	-1	0	281.302	3.099	20	30		CGEDRM
Cc1sc(/C=C\c2cc(C#N)cs2)nc1C(=O)[O-]	ZINC000352034792	219296209	/nfs/dbraw/zinc/29/62/09/219296209.db2.gz	HRFZILLGCRNJFN-IHWYPQMZSA-N	-1	0	276.342	3.253	20	30		CGEDRM
C=CCC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CCC1	ZINC000630266352	350819829	/nfs/dbraw/zinc/81/98/29/350819829.db2.gz	DNTRWCYSUIFGNY-CQSZACIVSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](CC)CCCC)C(=O)[O-]	ZINC000630325138	350823900	/nfs/dbraw/zinc/82/39/00/350823900.db2.gz	IGGWJPXELCQMLM-STQMWFEESA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CCCC(C)(C)CN=c1[n-]c([C@H](C)OC)ns1	ZINC000631450429	351043375	/nfs/dbraw/zinc/04/33/75/351043375.db2.gz	IGJDQQNENRLVMU-JTQLQIEISA-N	-1	0	269.414	3.072	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)CC2(C(=O)[O-])CCCCC2)C1	ZINC000634927391	351604923	/nfs/dbraw/zinc/60/49/23/351604923.db2.gz	NSMLEYUTFVGRRX-CQSZACIVSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2c(C)ccc(C)c2C(=O)[O-])C1	ZINC000634938525	351606689	/nfs/dbraw/zinc/60/66/89/351606689.db2.gz	KMNSKACAMRCNSP-ZDUSSCGKSA-N	-1	0	287.359	3.040	20	30		CGEDRM
COc1cc(F)c(NC(=O)c2sccc2C#N)cc1F	ZINC000124611347	138376331	/nfs/dbraw/zinc/37/63/31/138376331.db2.gz	HOLJDLUSHJSDFD-UHFFFAOYSA-N	-1	0	294.282	3.159	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000192918254	189631501	/nfs/dbraw/zinc/63/15/01/189631501.db2.gz	UQNSYLJTWLZLFG-QWHCGFSZSA-N	-1	0	289.375	3.491	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NCc1ccc(C#N)cc1	ZINC000037087540	369060898	/nfs/dbraw/zinc/06/08/98/369060898.db2.gz	GOKHDIFNZSGUEO-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C=CCCN(C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000276319621	193285650	/nfs/dbraw/zinc/28/56/50/193285650.db2.gz	YQMNCRPRXCYLDB-UHFFFAOYSA-N	-1	0	274.147	3.347	20	30		CGEDRM
C=CCn1cccc1C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436656463	372838075	/nfs/dbraw/zinc/83/80/75/372838075.db2.gz	IWJJDDVBJWKOER-UHFFFAOYSA-N	-1	0	298.342	3.225	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000448997775	373652682	/nfs/dbraw/zinc/65/26/82/373652682.db2.gz	GWCAYGXLRKTFPH-JSGCOSHPSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CCC(CC)(CC(=O)Nc1cccc(C#N)c1C)C(=O)[O-]	ZINC000178989590	373825596	/nfs/dbraw/zinc/82/55/96/373825596.db2.gz	ZULDHXCZMDJHOC-UHFFFAOYSA-N	-1	0	288.347	3.086	20	30		CGEDRM
CC1(C)C[C@@H]1/N=C(/[O-])Nc1nc2ccsc2s1	ZINC000329557424	374409472	/nfs/dbraw/zinc/40/94/72/374409472.db2.gz	LDMNZYNWBHDDBT-ZETCQYMHSA-N	-1	0	267.379	3.482	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc3cnccc32)cc1[O-]	ZINC000188257908	375185709	/nfs/dbraw/zinc/18/57/09/375185709.db2.gz	CRMJITCRUIAFPR-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1[O-]	ZINC000190702505	375532804	/nfs/dbraw/zinc/53/28/04/375532804.db2.gz	VANLCKYTFPCEEA-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000192862177	375795560	/nfs/dbraw/zinc/79/55/60/375795560.db2.gz	HHUHHHKFPUVJFL-DZGCQCFKSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CCOc1cccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000341337619	377514868	/nfs/dbraw/zinc/51/48/68/377514868.db2.gz	BJDDTVXIPZPXCI-SOFGYWHQSA-N	-1	0	294.310	3.221	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1cc(CCC)c(C)s1)C(=O)[O-]	ZINC000263010473	377914121	/nfs/dbraw/zinc/91/41/21/377914121.db2.gz	XEPMUOOPCVMZCD-GFCCVEGCSA-N	-1	0	295.404	3.158	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000345408462	378278179	/nfs/dbraw/zinc/27/81/79/378278179.db2.gz	MWNHMVJORKFXBB-NSHDSACASA-N	-1	0	279.299	3.263	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361518939	381784282	/nfs/dbraw/zinc/78/42/82/381784282.db2.gz	LTHUIZCRMVEGGK-CYBMUJFWSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nccc3ccccc32)c1C	ZINC000361520134	381784615	/nfs/dbraw/zinc/78/46/15/381784615.db2.gz	RSINABAFHMYMDJ-CQSZACIVSA-N	-1	0	290.326	3.065	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ns1	ZINC000647379515	392712086	/nfs/dbraw/zinc/71/20/86/392712086.db2.gz	OUJMUOAFDGXZIG-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
C=CCCN(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000649394189	393410867	/nfs/dbraw/zinc/41/08/67/393410867.db2.gz	YUGPFDVKBRASIP-UHFFFAOYSA-N	-1	0	291.376	3.019	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2occ3c2CCC3)n1	ZINC000671745040	543184443	/nfs/dbraw/zinc/18/44/43/543184443.db2.gz	JTCSSFXTOYKTFU-NSHDSACASA-N	-1	0	272.329	3.023	20	30		CGEDRM
Cn1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1	ZINC000675643537	543351619	/nfs/dbraw/zinc/35/16/19/543351619.db2.gz	BJVDUWJAUSRRHR-LLVKDONJSA-N	-1	0	299.330	3.264	20	30		CGEDRM
CN(C)c1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000005173700	170073565	/nfs/dbraw/zinc/07/35/65/170073565.db2.gz	NEWRHJWDQQDMSN-BJMVGYQFSA-N	-1	0	283.327	3.060	20	30		CGEDRM
Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1C	ZINC000684948587	544042675	/nfs/dbraw/zinc/04/26/75/544042675.db2.gz	YOEHMWBRJJLUIA-LBPRGKRZSA-N	-1	0	295.367	3.433	20	30		CGEDRM
N#CC(=C([O-])c1ccc(-c2ccccc2)o1)c1ccncn1	ZINC000354472309	227005462	/nfs/dbraw/zinc/00/54/62/227005462.db2.gz	ORTJKXLLFQQMOJ-ZDUSSCGKSA-N	-1	0	289.294	3.227	20	30		CGEDRM
N#CC(=C([O-])c1ccc(-c2ccccc2)o1)c1ccncn1	ZINC000354472307	227006097	/nfs/dbraw/zinc/00/60/97/227006097.db2.gz	ORTJKXLLFQQMOJ-CYBMUJFWSA-N	-1	0	289.294	3.227	20	30		CGEDRM
C=C(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC000652430651	418966553	/nfs/dbraw/zinc/96/65/53/418966553.db2.gz	SWJRUINUNQUMIN-GFCCVEGCSA-N	-1	0	287.281	3.339	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000653331201	419026982	/nfs/dbraw/zinc/02/69/82/419026982.db2.gz	OFRFKARTZAVUDA-CVEARBPZSA-N	-1	0	299.370	3.184	20	30		CGEDRM
C=CCCCCCNC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000653473745	419032541	/nfs/dbraw/zinc/03/25/41/419032541.db2.gz	LVROSPREDKLNIM-HNNXBMFYSA-N	-1	0	289.375	3.108	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)c1	ZINC000076759935	260166785	/nfs/dbraw/zinc/16/67/85/260166785.db2.gz	VCSQZFWIUWSRRP-WCQYABFASA-N	-1	0	295.404	3.467	20	30		CGEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)C1CCCCC1	ZINC000049513518	260662130	/nfs/dbraw/zinc/66/21/30/260662130.db2.gz	ROFKZODXIYJOIH-UHFFFAOYSA-N	-1	0	273.398	3.186	20	30		CGEDRM
C=C(C)CCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000414082616	262802836	/nfs/dbraw/zinc/80/28/36/262802836.db2.gz	CJVAOECHDYZNNF-INIZCTEOSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(C(CC)CC)s1	ZINC000341546640	263343122	/nfs/dbraw/zinc/34/31/22/263343122.db2.gz	ZPKDRWJGZTZDLE-LLVKDONJSA-N	-1	0	296.440	3.340	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000330793728	264039542	/nfs/dbraw/zinc/03/95/42/264039542.db2.gz	FIIPQCUGQTWTBC-NXEZZACHSA-N	-1	0	292.335	3.430	20	30		CGEDRM
CC1(C)CCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330782058	264052672	/nfs/dbraw/zinc/05/26/72/264052672.db2.gz	PCIRKEAFTDWSPT-GFCCVEGCSA-N	-1	0	278.308	3.184	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1cc(C(F)(F)F)ccn1	ZINC000362179000	266940283	/nfs/dbraw/zinc/94/02/83/266940283.db2.gz	FCMFSWYHYRFZMF-SECBINFHSA-N	-1	0	280.205	3.183	20	30		CGEDRM
C=CCCC(=O)NCc1c(C(=O)[O-])sc2ccsc21	ZINC000362815612	267050104	/nfs/dbraw/zinc/05/01/04/267050104.db2.gz	VZARVQKUZWOZMV-UHFFFAOYSA-N	-1	0	295.385	3.243	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc2ccccc2s1	ZINC000429679180	268207256	/nfs/dbraw/zinc/20/72/56/268207256.db2.gz	DZNDHVORVVNSHG-SNVBAGLBSA-N	-1	0	293.307	3.251	20	30		CGEDRM
N#Cc1ccc(/C=C\c2cc(F)c([O-])c(F)c2)nc1	ZINC000255166985	287859813	/nfs/dbraw/zinc/85/98/13/287859813.db2.gz	BATRDGZOLMQPES-IWQZZHSRSA-N	-1	0	258.227	3.107	20	30		CGEDRM
CCc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188248751	327747807	/nfs/dbraw/zinc/74/78/07/327747807.db2.gz	LNZDSPGGIYLCAM-UHFFFAOYSA-N	-1	0	266.300	3.079	20	30		CGEDRM
C=CCCCCCNC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000563424445	328065890	/nfs/dbraw/zinc/06/58/90/328065890.db2.gz	QTRPSHGQUYUJHF-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ncnn1C	ZINC000276473612	328218567	/nfs/dbraw/zinc/21/85/67/328218567.db2.gz	QSXFUVVZOFKNJI-PCCAMLSSSA-N	-1	0	299.161	3.008	20	30		CGEDRM
Cc1ccc(C=CC(=O)[N-]S(=O)(=O)C2CCCCC2)o1	ZINC000049502289	328365999	/nfs/dbraw/zinc/36/59/99/328365999.db2.gz	GDYIJMKXLHPCGZ-MDZDMXLPSA-N	-1	0	297.376	3.220	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000281739589	328506077	/nfs/dbraw/zinc/50/60/77/328506077.db2.gz	OQQRHMBHEYDVMC-SECBINFHSA-N	-1	0	271.719	3.269	20	30		CGEDRM
N#CCc1cccc(N=c2nc(C3CCCC3)[n-]s2)c1	ZINC000557633318	327017648	/nfs/dbraw/zinc/01/76/48/327017648.db2.gz	SJTYCSJZKSCBOT-UHFFFAOYSA-N	-1	0	284.388	3.427	20	30		CGEDRM
CC1(C/N=C/c2cc(Cl)cc(Cl)c2[O-])COC1	ZINC000112561676	327286743	/nfs/dbraw/zinc/28/67/43/327286743.db2.gz	JQIRCMLHFMNAGJ-SYZQJQIISA-N	-1	0	274.147	3.154	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000184554612	329260074	/nfs/dbraw/zinc/26/00/74/329260074.db2.gz	NRQLPJFWVMBOJP-VIFPVBQESA-N	-1	0	283.312	3.083	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)co1	ZINC000190988430	329404344	/nfs/dbraw/zinc/40/43/44/329404344.db2.gz	STOGJXKGVTUIJT-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CCC[C@@H](NC(=O)[C@H](C)CC1CCCCC1)C(=O)[O-]	ZINC000262834877	330035045	/nfs/dbraw/zinc/03/50/45/330035045.db2.gz	GHHVPTHSNPSHRQ-TZMCWYRMSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CC/C=C/c1ccccc1)C(=O)[O-]	ZINC000262982489	330038022	/nfs/dbraw/zinc/03/80/22/330038022.db2.gz	UNDVYAHXRDDEKT-XKOZXHHJSA-N	-1	0	287.359	3.016	20	30		CGEDRM
C=CCC[C@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000263557630	330059752	/nfs/dbraw/zinc/05/97/52/330059752.db2.gz	ZQMKLLPEFYQELS-HIFRSBDPSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000464555506	331362506	/nfs/dbraw/zinc/36/25/06/331362506.db2.gz	IDOVBSBGKQQHDC-NSHDSACASA-N	-1	0	287.388	3.168	20	30		CGEDRM
C=CCCCSc1nc(C(F)(F)F)cc(=O)[nH]1	ZINC000522830172	333296193	/nfs/dbraw/zinc/29/61/93/333296193.db2.gz	PXIARWLXDRSHHW-UHFFFAOYSA-N	-1	0	264.272	3.259	20	30		CGEDRM
C=CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000238122095	333382409	/nfs/dbraw/zinc/38/24/09/333382409.db2.gz	GYZHLAJWTUNIDP-UHFFFAOYSA-N	-1	0	297.310	3.202	20	30		CGEDRM
CCSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000546153040	334016731	/nfs/dbraw/zinc/01/67/31/334016731.db2.gz	PMMUTUDFTKYFMD-LBPRGKRZSA-N	-1	0	283.356	3.079	20	30		CGEDRM
Cc1ccccc1-c1n[n-]c(=NCc2ccc(C#N)s2)o1	ZINC000357695331	534791434	/nfs/dbraw/zinc/79/14/34/534791434.db2.gz	DWHFKWZNEPSVMM-UHFFFAOYSA-N	-1	0	296.355	3.012	20	30		CGEDRM
N#Cc1ccc(SCCCCC(=O)[O-])c(F)c1	ZINC000738434515	571746077	/nfs/dbraw/zinc/74/60/77/571746077.db2.gz	IMVHEWMGMFZLPY-UHFFFAOYSA-N	-1	0	253.298	3.044	20	30		CGEDRM
Cc1cccc2c1C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C2=O	ZINC000729148857	571879324	/nfs/dbraw/zinc/87/93/24/571879324.db2.gz	BMLRRSOIFQABTD-GHXNOFRVSA-N	-1	0	295.294	3.431	20	30		CGEDRM
O=C([O-])CC[C@@H](/N=C\c1ccccc1O)c1ccccc1	ZINC000739659182	571947233	/nfs/dbraw/zinc/94/72/33/571947233.db2.gz	JXEOGDCOJGGLSC-PWDRBQJJSA-N	-1	0	283.327	3.417	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc(O)cc2)cs1	ZINC000730149125	571951559	/nfs/dbraw/zinc/95/15/59/571951559.db2.gz	BYOZRFLYOROGQV-UTCJRWHESA-N	-1	0	274.297	3.048	20	30		CGEDRM
Cc1ncsc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000742432664	572354836	/nfs/dbraw/zinc/35/48/36/572354836.db2.gz	ZIDIHAMPBYWGDC-IHWYPQMZSA-N	-1	0	279.342	3.107	20	30		CGEDRM
Cc1cc(NCc2ccccc2C#N)ccc1C(=O)[O-]	ZINC000738462368	572376116	/nfs/dbraw/zinc/37/61/16/572376116.db2.gz	NGSFCXJZIXBEEX-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C=C(Cl)COC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738492643	572377346	/nfs/dbraw/zinc/37/73/46/572377346.db2.gz	JDYDWOMIHNVEDY-GFCCVEGCSA-N	-1	0	297.738	3.071	20	30		CGEDRM
N#Cc1ccc([C@@H](Sc2ccc(O)cc2)C(=O)[O-])cc1	ZINC000739118456	572402849	/nfs/dbraw/zinc/40/28/49/572402849.db2.gz	RSTHYSLSYSCGBE-CQSZACIVSA-N	-1	0	285.324	3.182	20	30		CGEDRM
N#Cc1ccccc1CNc1cccc(F)c1C(=O)[O-]	ZINC000739147038	572402877	/nfs/dbraw/zinc/40/28/77/572402877.db2.gz	PBNDQUYKDOYULB-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#C[C@@H](Sc1ncccc1C(=O)[O-])C1CCCCC1	ZINC000739074430	572473156	/nfs/dbraw/zinc/47/31/56/572473156.db2.gz	JDRMWPBMPKBPOX-GFCCVEGCSA-N	-1	0	276.361	3.344	20	30		CGEDRM
CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1	ZINC000741465994	572500764	/nfs/dbraw/zinc/50/07/64/572500764.db2.gz	AHBPUUVMOJFQRI-AYCSXLNKSA-N	-1	0	285.303	3.266	20	30		CGEDRM
Cc1noc(C)c1[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000733749863	572601083	/nfs/dbraw/zinc/60/10/83/572601083.db2.gz	CIHGBENATBFDDZ-YCAXJWCXSA-N	-1	0	289.291	3.085	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2s1	ZINC000744016708	572695780	/nfs/dbraw/zinc/69/57/80/572695780.db2.gz	RUEGPKSBPHNEAD-WSKFYRRCSA-N	-1	0	268.341	3.439	20	30		CGEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccsc1	ZINC000748410988	572975817	/nfs/dbraw/zinc/97/58/17/572975817.db2.gz	RNWMNYJZELPUNT-SECBINFHSA-N	-1	0	272.329	3.068	20	30		CGEDRM
N#Cc1cccc(SCCOc2cccc(C(=O)[O-])c2)c1	ZINC000833074791	601319190	/nfs/dbraw/zinc/31/91/90/601319190.db2.gz	DCSZWMQDQHDULP-UHFFFAOYSA-N	-1	0	299.351	3.428	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2nc3ccccc3s2)[nH]1	ZINC000833312101	601331201	/nfs/dbraw/zinc/33/12/01/601331201.db2.gz	JJLQOGNCZSLJBV-SOFGYWHQSA-N	-1	0	298.323	3.219	20	30		CGEDRM
C=C(C)CS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000825647137	601356217	/nfs/dbraw/zinc/35/62/17/601356217.db2.gz	FTJYOSZYKYFVJY-JTQLQIEISA-N	-1	0	281.377	3.210	20	30		CGEDRM
CCCCC[C@@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000829312660	601365881	/nfs/dbraw/zinc/36/58/81/601365881.db2.gz	YGHBNAIEFFNMFH-DZZSIBQASA-N	-1	0	283.755	3.498	20	30		CGEDRM
C=CCCCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-]	ZINC000825665210	601437342	/nfs/dbraw/zinc/43/73/42/601437342.db2.gz	WQOGVCNLFAGBSZ-AWEZNQCLSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1	ZINC000825681895	601543591	/nfs/dbraw/zinc/54/35/91/601543591.db2.gz	LGMUOYNDBVJCSS-UHFFFAOYSA-N	-1	0	271.316	3.479	20	30		CGEDRM
C[C@H](CC(=O)[O-])SCC#Cc1ccc(Cl)cc1	ZINC000827385044	601577114	/nfs/dbraw/zinc/57/71/14/601577114.db2.gz	DGPPOGFQMSFXCB-SNVBAGLBSA-N	-1	0	268.765	3.288	20	30		CGEDRM
Cc1ccc(C=NOCc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000832929679	601629784	/nfs/dbraw/zinc/62/97/84/601629784.db2.gz	OVMQDZFSTZWQGV-UHFFFAOYSA-N	-1	0	287.290	3.383	20	30		CGEDRM
N#Cc1ccnc(SCc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000236482958	601674480	/nfs/dbraw/zinc/67/44/80/601674480.db2.gz	LJISATDIXKDSTI-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2nc3ccccc3s2)c[nH]1	ZINC000833297734	601792485	/nfs/dbraw/zinc/79/24/85/601792485.db2.gz	JAUPSIDPRQXREX-WAYWQWQTSA-N	-1	0	298.323	3.219	20	30		CGEDRM
C=CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)C(C)C	ZINC000823500586	602848503	/nfs/dbraw/zinc/84/85/03/602848503.db2.gz	HPFCSHUXTTUSKQ-UHFFFAOYSA-N	-1	0	276.336	3.122	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823497184	603934032	/nfs/dbraw/zinc/93/40/32/603934032.db2.gz	XUWRUWZCGGNKPE-NSHDSACASA-N	-1	0	276.336	3.310	20	30		CGEDRM
CC(C)(CCC#N)CNc1cccc2c1CCN2C(=O)[O-]	ZINC000823885415	604021226	/nfs/dbraw/zinc/02/12/26/604021226.db2.gz	FUTIQJREAJTRTI-UHFFFAOYSA-N	-1	0	287.363	3.469	20	30		CGEDRM
Cc1[n-]n(-c2ccc(F)cc2Cl)c(=O)c1CCC#N	ZINC000899362108	620669659	/nfs/dbraw/zinc/66/96/59/620669659.db2.gz	KFYCXUNJWCYKCU-JTQLQIEISA-N	-1	0	279.702	3.122	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccs2)cc1	ZINC000198842591	604626078	/nfs/dbraw/zinc/62/60/78/604626078.db2.gz	ALCQWAKFHWLOGJ-FPLPWBNLSA-N	-1	0	258.298	3.342	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000833071798	604630917	/nfs/dbraw/zinc/63/09/17/604630917.db2.gz	IWKOBMDOKNHGSU-BJMVGYQFSA-N	-1	0	277.279	3.153	20	30		CGEDRM
Cc1cc(N=NC(C)[C@H](C)CCCCC(=O)[O-])nc(C)n1	ZINC000814807337	604637682	/nfs/dbraw/zinc/63/76/82/604637682.db2.gz	PVHJFLMROPYUNF-SNVBAGLBSA-N	-1	0	292.383	3.162	20	30		CGEDRM
CC1(C)CCC[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763370201	604666569	/nfs/dbraw/zinc/66/65/69/604666569.db2.gz	MEPKCGIOSSBWMP-NSHDSACASA-N	-1	0	275.352	3.394	20	30		CGEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1cccc(Cl)c1	ZINC000833406584	605038220	/nfs/dbraw/zinc/03/82/20/605038220.db2.gz	NWVYGVNAKVMEAC-SNVBAGLBSA-N	-1	0	291.738	3.233	20	30		CGEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000061826388	605065884	/nfs/dbraw/zinc/06/58/84/605065884.db2.gz	NMSYCWALIWRWRI-UHFFFAOYSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1occc1C	ZINC000767763835	605095246	/nfs/dbraw/zinc/09/52/46/605095246.db2.gz	PKJLERNTMWAYGQ-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccncc1	ZINC000833386461	605156177	/nfs/dbraw/zinc/15/61/77/605156177.db2.gz	HLKVZBBIDYWSNY-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
C#CCCCOc1c(C(=O)[O-])ccc2ccccc21	ZINC000133713640	605180916	/nfs/dbraw/zinc/18/09/16/605180916.db2.gz	QPWGYQFOFMVCCW-UHFFFAOYSA-N	-1	0	254.285	3.330	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000783863761	605328564	/nfs/dbraw/zinc/32/85/64/605328564.db2.gz	RMJNZZVUCKEYRW-WDEREUQCSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)[C@@H](C)C1	ZINC000783862897	605329053	/nfs/dbraw/zinc/32/90/53/605329053.db2.gz	NVACANQWIYBBMI-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@]1(C#N)CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1	ZINC000833551486	605417484	/nfs/dbraw/zinc/41/74/84/605417484.db2.gz	MCZVFXUZPQSZNG-OAHLLOKOSA-N	-1	0	292.766	3.164	20	30		CGEDRM
N#CCc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1	ZINC000833968005	605458600	/nfs/dbraw/zinc/45/86/00/605458600.db2.gz	OSWSYFWTIRYLSC-UHFFFAOYSA-N	-1	0	295.298	3.095	20	30		CGEDRM
C#CCCCCCC(=O)Oc1cc(C(=O)[O-])ccc1C	ZINC000833361735	605598158	/nfs/dbraw/zinc/59/81/58/605598158.db2.gz	JNDHYYOFGQZEQA-UHFFFAOYSA-N	-1	0	274.316	3.182	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000833361778	605600703	/nfs/dbraw/zinc/60/07/03/605600703.db2.gz	LCFVCRGVTHDGHJ-UHFFFAOYSA-N	-1	0	288.347	3.323	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)c(O)c1	ZINC000890551927	617636096	/nfs/dbraw/zinc/63/60/96/617636096.db2.gz	FOPVDFZMTFIXDZ-SNVBAGLBSA-N	-1	0	285.265	3.202	20	30		CGEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042319804	617645302	/nfs/dbraw/zinc/64/53/02/617645302.db2.gz	TYXJBGURNJSAMT-PLSXKVAHSA-N	-1	0	291.372	3.300	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)NCc1cccc(Cl)c1O	ZINC000890759937	617816840	/nfs/dbraw/zinc/81/68/40/617816840.db2.gz	WHEMONWRAYUCOS-CQSZACIVSA-N	-1	0	267.756	3.264	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000890815293	617871722	/nfs/dbraw/zinc/87/17/22/617871722.db2.gz	BUJCFZRESPIYEN-UHFFFAOYSA-N	-1	0	269.291	3.099	20	30		CGEDRM
CC(C)(C)CCC(=O)N(O)Cc1ccc(F)cc1	ZINC000900094265	620761096	/nfs/dbraw/zinc/76/10/96/620761096.db2.gz	KIXYEQCIUKDNMO-UHFFFAOYSA-N	-1	0	253.317	3.370	20	30		CGEDRM
C[C@@H](Cc1ccsc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000048833080	618054684	/nfs/dbraw/zinc/05/46/84/618054684.db2.gz	ZKNABZRLGCKITH-SOOGHKCXSA-N	-1	0	290.344	3.412	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(C)c1Cl	ZINC000900337772	620779849	/nfs/dbraw/zinc/77/98/49/620779849.db2.gz	MXXQYARYHAPAAB-UHFFFAOYSA-N	-1	0	296.754	3.061	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@H](CC2CC2)C(=O)[O-])c1	ZINC000900355591	620782346	/nfs/dbraw/zinc/78/23/46/620782346.db2.gz	QCXQRPZUIZUDHY-CQSZACIVSA-N	-1	0	288.347	3.095	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@](C)(CCF)C(=O)[O-])c1	ZINC000900355903	620782394	/nfs/dbraw/zinc/78/23/94/620782394.db2.gz	VESNUSVYAJINMG-OAHLLOKOSA-N	-1	0	294.326	3.044	20	30		CGEDRM
O=C(/C=C\c1cccc2c1OCO2)c1ccc([O-])c(F)c1	ZINC000255376187	618242628	/nfs/dbraw/zinc/24/26/28/618242628.db2.gz	PGUCFPQIPANYSV-XQRVVYSFSA-N	-1	0	286.258	3.156	20	30		CGEDRM
CCc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179739231	618799840	/nfs/dbraw/zinc/79/98/40/618799840.db2.gz	LWNZVSJODMPKEL-UHFFFAOYSA-N	-1	0	266.300	3.079	20	30		CGEDRM
O=C1c2ccc(F)cc2C/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000178724696	619379753	/nfs/dbraw/zinc/37/97/53/619379753.db2.gz	DSVWFPLGKQQHFD-IZZDOVSWSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CCCCCCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000147247851	619387201	/nfs/dbraw/zinc/38/72/01/619387201.db2.gz	UQOTVNXTHVWMNW-UHFFFAOYSA-N	-1	0	298.427	3.243	20	30		CGEDRM
[O-]c1c(Br)cccc1C=NOCCC1CC1	ZINC000814246916	619418744	/nfs/dbraw/zinc/41/87/44/619418744.db2.gz	IESZUUOPIHVPGV-UHFFFAOYSA-N	-1	0	284.153	3.305	20	30		CGEDRM
C[C@@H]1CC(=NOCc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814791394	619423749	/nfs/dbraw/zinc/42/37/49/619423749.db2.gz	GDKNYUCDFCRHFK-RISCZKNCSA-N	-1	0	261.321	3.080	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](CC)c1ccccc1	ZINC000048518515	619502443	/nfs/dbraw/zinc/50/24/43/619502443.db2.gz	XFJPPPRITANFRK-CYBMUJFWSA-N	-1	0	283.393	3.267	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccncc1Cl	ZINC000814868976	619519151	/nfs/dbraw/zinc/51/91/51/619519151.db2.gz	OXSMEMCGJBPPSF-UHFFFAOYSA-N	-1	0	297.786	3.370	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1ccc(C(=O)[O-])c(F)c1	ZINC000793161078	619700795	/nfs/dbraw/zinc/70/07/95/619700795.db2.gz	ZWXVVJVBFIZENG-VIFPVBQESA-N	-1	0	267.300	3.311	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1	ZINC000047358161	619807903	/nfs/dbraw/zinc/80/79/03/619807903.db2.gz	CPNQYNDHZQPVGC-GWJCSSMESA-N	-1	0	268.341	3.341	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)C1	ZINC000909519696	619812186	/nfs/dbraw/zinc/81/21/86/619812186.db2.gz	KAFPEHAMIZQKHP-GFCCVEGCSA-N	-1	0	287.359	3.245	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CC1=CCOCC1	ZINC000840706826	620085858	/nfs/dbraw/zinc/08/58/58/620085858.db2.gz	KONGIMBLXPLSBF-PXNMLYILSA-N	-1	0	286.158	3.465	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000179328378	620386323	/nfs/dbraw/zinc/38/63/23/620386323.db2.gz	IYIVDZAEXPTWKS-MQSIBISMSA-N	-1	0	280.327	3.334	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC000902631348	621389005	/nfs/dbraw/zinc/38/90/05/621389005.db2.gz	TTZAFYAMWUPVNV-SREVYHEPSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=CCCC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21	ZINC000902825329	621457368	/nfs/dbraw/zinc/45/73/68/621457368.db2.gz	LFQPPAVLQIGMKA-CYBMUJFWSA-N	-1	0	287.359	3.023	20	30		CGEDRM
C=CCC(C)(C)c1noc(-c2cccc(F)c2[O-])n1	ZINC000904079878	621865031	/nfs/dbraw/zinc/86/50/31/621865031.db2.gz	MSETVVRALPPNDP-UHFFFAOYSA-N	-1	0	262.284	3.435	20	30		CGEDRM
N#Cc1sccc1-c1ccc2c(c1)C[C@@H]1[C@@H](C(=O)[O-])[C@H]21	ZINC000906243338	622196287	/nfs/dbraw/zinc/19/62/87/622196287.db2.gz	SNLFWDJJHOHYTK-NWANDNLSSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000907741312	622308848	/nfs/dbraw/zinc/30/88/48/622308848.db2.gz	RAKOZLFOYQAXNE-TUKIKUTGSA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)C1	ZINC000909095721	622391744	/nfs/dbraw/zinc/39/17/44/622391744.db2.gz	GFGTYFCWUMAIHI-YVMONPNESA-N	-1	0	271.316	3.079	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909293705	622413462	/nfs/dbraw/zinc/41/34/62/622413462.db2.gz	CTMBOZYCIIIOGF-OAHLLOKOSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000909295970	622413777	/nfs/dbraw/zinc/41/37/77/622413777.db2.gz	LOYRKHHJKMPXHJ-UHFFFAOYSA-N	-1	0	277.295	3.209	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910300847	622472446	/nfs/dbraw/zinc/47/24/46/622472446.db2.gz	AROHMYSYOALOLC-QWHCGFSZSA-N	-1	0	273.332	3.025	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-]	ZINC000910918741	622508669	/nfs/dbraw/zinc/50/86/69/622508669.db2.gz	OUHVWQUDENFUKF-LBPRGKRZSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C[C@@H]1CC[C@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000150951258	622706814	/nfs/dbraw/zinc/70/68/14/622706814.db2.gz	OCWKVLBUMIVFLX-MNOVXSKESA-N	-1	0	258.321	3.029	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1F	ZINC000156600059	622826974	/nfs/dbraw/zinc/82/69/74/622826974.db2.gz	MRGBKRFLARRKGB-SOFGYWHQSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CCCC[C@H](Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000061845230	623182612	/nfs/dbraw/zinc/18/26/12/623182612.db2.gz	OSHFBFQOBGPEMX-LBPRGKRZSA-N	-1	0	266.728	3.267	20	30		CGEDRM
C[C@H]1C(=NOC2CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814894643	625667470	/nfs/dbraw/zinc/66/74/70/625667470.db2.gz	OUEIWOPDBVLIOW-JQWIXIFHSA-N	-1	0	267.369	3.459	20	30		CGEDRM
Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1Cl	ZINC000766455528	624050630	/nfs/dbraw/zinc/05/06/30/624050630.db2.gz	RSYDHMMDKBEPPL-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
Cc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000916240587	624123645	/nfs/dbraw/zinc/12/36/45/624123645.db2.gz	HWMOHOIFOOFLFG-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cccc(Cl)c2)cc1	ZINC000916240952	624125681	/nfs/dbraw/zinc/12/56/81/624125681.db2.gz	XZIYSRSPBVWRLW-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2c(F)cccc2F)c1	ZINC000916255292	624125812	/nfs/dbraw/zinc/12/58/12/624125812.db2.gz	PRZPHZQSXMNZQK-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccc(Cl)cc2)cc1	ZINC000916246915	624130354	/nfs/dbraw/zinc/13/03/54/624130354.db2.gz	OUAJDMULSAIBGH-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c[nH]c3cc(F)ccc23)cc1	ZINC000917529443	624283793	/nfs/dbraw/zinc/28/37/93/624283793.db2.gz	QBHRHUGFMKJKGE-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cc(C)c(C)cc1C	ZINC000917554864	624288084	/nfs/dbraw/zinc/28/80/84/624288084.db2.gz	LHHYUFMIVSNSOR-UHFFFAOYSA-N	-1	0	294.362	3.114	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2csc(C3CC3)n2)c1	ZINC000920355706	624480655	/nfs/dbraw/zinc/48/06/55/624480655.db2.gz	FGYLCEUTIUUXEE-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C2=O	ZINC000921264322	624578030	/nfs/dbraw/zinc/57/80/30/624578030.db2.gz	QVGBDFSJWRJAEC-QPEQYQDCSA-N	-1	0	295.294	3.431	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000184516521	625242743	/nfs/dbraw/zinc/24/27/43/625242743.db2.gz	LZTGPUZQPQIEHL-DUXPYHPUSA-N	-1	0	278.304	3.498	20	30		CGEDRM
CCS[C@H](C(=O)[N-]S(=O)(=O)C(CC)CC)C(C)C	ZINC000073837501	626069569	/nfs/dbraw/zinc/06/95/69/626069569.db2.gz	XMCKDWYOZJPGLE-NSHDSACASA-N	-1	0	295.470	3.239	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)Cc1ccc(C)s1	ZINC000073837933	626070569	/nfs/dbraw/zinc/07/05/69/626070569.db2.gz	QJMCAAGECBVXKY-UHFFFAOYSA-N	-1	0	289.422	3.074	20	30		CGEDRM
CCCCCCCC(=O)N(CC(=O)[O-])[C@@H](C)CC	ZINC000102984318	626190096	/nfs/dbraw/zinc/19/00/96/626190096.db2.gz	BFZVUOWZDUVBRH-LBPRGKRZSA-N	-1	0	257.374	3.059	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)cc(F)c2)cc1	ZINC000755454414	626623586	/nfs/dbraw/zinc/62/35/86/626623586.db2.gz	FVSGSYQTPKYHHR-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
N#Cc1ccccc1/C=C\c1ncc(/C=C/C(=O)[O-])s1	ZINC000755601628	626631069	/nfs/dbraw/zinc/63/10/69/626631069.db2.gz	QAOACFXLXOFWLT-CGXWXWIYSA-N	-1	0	282.324	3.283	20	30		CGEDRM
COCCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C(C)C	ZINC000756815361	626734348	/nfs/dbraw/zinc/73/43/48/626734348.db2.gz	KETNTOWAGLENAX-UHFFFAOYSA-N	-1	0	298.770	3.499	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)CC1CCC1	ZINC000756898776	626739783	/nfs/dbraw/zinc/73/97/83/626739783.db2.gz	CAUFLODJFFKOBS-UHFFFAOYSA-N	-1	0	276.336	3.371	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000757467892	626780659	/nfs/dbraw/zinc/78/06/59/626780659.db2.gz	MZYRCIZBIWHISP-DAXSKMNVSA-N	-1	0	299.282	3.211	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000757474298	626781479	/nfs/dbraw/zinc/78/14/79/626781479.db2.gz	RQJNQWZCTNXZOM-SNAWJCMRSA-N	-1	0	285.249	3.438	20	30		CGEDRM
O=c1[n-]c(N=NC2CCCCCC2)nc2ccccc21	ZINC000757584101	626790879	/nfs/dbraw/zinc/79/08/79/626790879.db2.gz	SODQDZXXBRBOLD-UHFFFAOYSA-N	-1	0	270.336	3.458	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759092162	626874092	/nfs/dbraw/zinc/87/40/92/626874092.db2.gz	WOIFSZPKUKZMST-ALCCZGGFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
CCC(CC)(CC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759713021	626916827	/nfs/dbraw/zinc/91/68/27/626916827.db2.gz	CXBXONZEBYKFAM-UHFFFAOYSA-N	-1	0	260.337	3.419	20	30		CGEDRM
Cc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])cnc1Cl	ZINC000760265567	626950885	/nfs/dbraw/zinc/95/08/85/626950885.db2.gz	PZUZAAYSEHRSPZ-DJWKRKHSSA-N	-1	0	289.718	3.351	20	30		CGEDRM
N#CC(=C([O-])c1cc2c(cccc2F)s1)c1ccncn1	ZINC000760347247	626962632	/nfs/dbraw/zinc/96/26/32/626962632.db2.gz	UKDBKDZLAKYZBE-SNVBAGLBSA-N	-1	0	297.314	3.320	20	30		CGEDRM
CCC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000761573989	627051792	/nfs/dbraw/zinc/05/17/92/627051792.db2.gz	VDWJFNSRUADZJR-UHFFFAOYSA-N	-1	0	294.310	3.109	20	30		CGEDRM
Cc1ccc2c(c1)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])CO2	ZINC000763095255	627140360	/nfs/dbraw/zinc/14/03/60/627140360.db2.gz	CELWAMMYLLQSEI-XPGOGFAUSA-N	-1	0	298.298	3.161	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCCC(F)(F)C2)c1	ZINC000767691338	627429383	/nfs/dbraw/zinc/42/93/83/627429383.db2.gz	TUPJYTXTLUIIGE-MDKXCRPYSA-N	-1	0	284.262	3.297	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NNc1ccccn1	ZINC000768352311	627475343	/nfs/dbraw/zinc/47/53/43/627475343.db2.gz	NUNBSADBVRHPMV-UHFFFAOYSA-N	-1	0	265.675	3.026	20	30		CGEDRM
COc1cc(C)c(C=CC(=O)c2sccc2[O-])c(C)n1	ZINC000773151873	627862933	/nfs/dbraw/zinc/86/29/33/627862933.db2.gz	YTGNJGKESBGVAC-PLNGDYQASA-N	-1	0	289.356	3.370	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2cc(F)cc(Cl)c2)nc1	ZINC000776726458	628227303	/nfs/dbraw/zinc/22/73/03/628227303.db2.gz	OEQLQAAEZMBJNW-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1O	ZINC000779358844	628409590	/nfs/dbraw/zinc/40/95/90/628409590.db2.gz	XHBUKTUPDPKHLV-XFSBKJJWSA-N	-1	0	286.258	3.126	20	30		CGEDRM
CC(=NNc1ccncc1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000779810841	628433836	/nfs/dbraw/zinc/43/38/36/628433836.db2.gz	JMQYVYDNIHHQLQ-UHFFFAOYSA-N	-1	0	296.157	3.352	20	30		CGEDRM
CCC(N=Nc1cccc(OC)n1)c1ccc(C(=O)[O-])cc1	ZINC000779819724	628435731	/nfs/dbraw/zinc/43/57/31/628435731.db2.gz	UTSQUZRLBRTHNL-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
CC#Cc1cccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)c1	ZINC000874970001	634661862	/nfs/dbraw/zinc/66/18/62/634661862.db2.gz	XTOYXYKNLNZMHK-UHFFFAOYSA-N	-1	0	294.306	3.001	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H](C(F)(F)F)C2)n1	ZINC000783511953	628719374	/nfs/dbraw/zinc/71/93/74/628719374.db2.gz	XEZJGYPPANXVFO-QMMMGPOBSA-N	-1	0	288.273	3.011	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cscn2)c(Cl)c1	ZINC000783712973	628742812	/nfs/dbraw/zinc/74/28/12/628742812.db2.gz	LONLZFMBDUBUNM-ONEGZZNKSA-N	-1	0	293.731	3.391	20	30		CGEDRM
CC[C@@H](NN=C(C)c1cc2cc(C)c(C)cc2o1)C(=O)[O-]	ZINC000793057663	629406362	/nfs/dbraw/zinc/40/63/62/629406362.db2.gz	OYCNZRJKLUJSCZ-CYBMUJFWSA-N	-1	0	288.347	3.226	20	30		CGEDRM
CC[C@@H](NN=Cc1ccc(C2CCCC2)cc1)C(=O)[O-]	ZINC000793077754	629408220	/nfs/dbraw/zinc/40/82/20/629408220.db2.gz	HTRNHQLZFYLRHH-OAHLLOKOSA-N	-1	0	274.364	3.131	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000119029671	629420414	/nfs/dbraw/zinc/42/04/14/629420414.db2.gz	GBESASKDHKIFKS-NSCUHMNNSA-N	-1	0	264.227	3.468	20	30		CGEDRM
Cc1ccc2[nH]c(N=Cc3cc([N+](=O)[O-])ccc3[O-])nc2c1	ZINC000793666634	629494799	/nfs/dbraw/zinc/49/47/99/629494799.db2.gz	HLDXIZSVSFCCBJ-UHFFFAOYSA-N	-1	0	296.286	3.236	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccnc(F)c1	ZINC000794717631	629570862	/nfs/dbraw/zinc/57/08/62/629570862.db2.gz	AHFNKISWJDBZLF-ONEGZZNKSA-N	-1	0	299.301	3.432	20	30		CGEDRM
N#CCOc1cccc(NCc2ccc(F)c(F)c2[O-])c1	ZINC000863997659	629724846	/nfs/dbraw/zinc/72/48/46/629724846.db2.gz	BDPNULYRRLSFCF-UHFFFAOYSA-N	-1	0	290.269	3.185	20	30		CGEDRM
CCCCCCCC(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000864167525	629787303	/nfs/dbraw/zinc/78/73/03/629787303.db2.gz	HMLAOLSBPNZBGE-HNNXBMFYSA-N	-1	0	293.363	3.151	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC000864186146	629795076	/nfs/dbraw/zinc/79/50/76/629795076.db2.gz	JTFCUMWJUGHBHE-LBPRGKRZSA-N	-1	0	287.787	3.059	20	30		CGEDRM
N#Cc1sccc1-c1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000864607791	629874652	/nfs/dbraw/zinc/87/46/52/629874652.db2.gz	BJPGZXWIOSHBTR-CFVMTHIKSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C#C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C	ZINC000798343338	630046063	/nfs/dbraw/zinc/04/60/63/630046063.db2.gz	DEIMIGSSTNLMBQ-URXIRXLPSA-N	-1	0	280.711	3.031	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1coc(C(C)C)n1	ZINC000799464771	630184789	/nfs/dbraw/zinc/18/47/89/630184789.db2.gz	LNOKINJPVUQJNM-UHFFFAOYSA-N	-1	0	287.319	3.332	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cn1	ZINC000806559408	630566787	/nfs/dbraw/zinc/56/67/87/630566787.db2.gz	ZPIRYIKANBEURQ-SREVYHEPSA-N	-1	0	284.315	3.058	20	30		CGEDRM
Cc1ccc(CCC(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000810467286	630880008	/nfs/dbraw/zinc/88/00/08/630880008.db2.gz	OZXSMWDGENHPMG-UHFFFAOYSA-N	-1	0	286.356	3.205	20	30		CGEDRM
CCC(=NOC/C=C/Cl)c1ccc(C(=O)[O-])cc1	ZINC000811670424	631108588	/nfs/dbraw/zinc/10/85/88/631108588.db2.gz	RTVBTWYWWBGRBL-UUOXLLFDSA-N	-1	0	267.712	3.268	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cc(Cl)ccc1O	ZINC000812444672	631261228	/nfs/dbraw/zinc/26/12/28/631261228.db2.gz	LCPPNDKRJBCWRY-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2cccc(C)c2)CCCC1	ZINC000837045876	634846662	/nfs/dbraw/zinc/84/66/62/634846662.db2.gz	AJQCVEPTUSEWAD-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
C=CCN(CCC#N)Cc1cc(Cl)cc(F)c1[O-]	ZINC000814171710	631537321	/nfs/dbraw/zinc/53/73/21/631537321.db2.gz	UWBVEHLUGCWKEA-UHFFFAOYSA-N	-1	0	268.719	3.086	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814686242	631622961	/nfs/dbraw/zinc/62/29/61/631622961.db2.gz	ZAIGLGKAIRFSFX-NWDGAFQWSA-N	-1	0	260.337	3.284	20	30		CGEDRM
CC(N=Nc1ccc(C#N)cc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814803109	631643046	/nfs/dbraw/zinc/64/30/46/631643046.db2.gz	JYIHMLWCTOXMQK-HIFRSBDPSA-N	-1	0	299.374	3.483	20	30		CGEDRM
C[C@H]1C(=NNCc2ccccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814813047	631647319	/nfs/dbraw/zinc/64/73/19/631647319.db2.gz	TWFXIVAFJANQJH-MNOVXSKESA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccccc1	ZINC000814815359	631648248	/nfs/dbraw/zinc/64/82/48/631648248.db2.gz	VAMFLZRMDOBLEW-TYNCELHUSA-N	-1	0	274.364	3.214	20	30		CGEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])C[C@H]1C)c1ccccc1	ZINC000814814992	631648043	/nfs/dbraw/zinc/64/80/43/631648043.db2.gz	IHIJQMJYBAYXKQ-DYEKYZERSA-N	-1	0	274.364	3.214	20	30		CGEDRM
O=C([O-])C1CC(=NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000814882728	631663950	/nfs/dbraw/zinc/66/39/50/631663950.db2.gz	WGFKEBXYUJNRFF-UHFFFAOYSA-N	-1	0	287.237	3.073	20	30		CGEDRM
CC(=NNCCC(F)(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814920276	631683022	/nfs/dbraw/zinc/68/30/22/631683022.db2.gz	HVPIDJXOXJFIMA-VIFPVBQESA-N	-1	0	282.306	3.185	20	30		CGEDRM
CC(N=Nc1ncccc1F)[C@H](C)CCCCC(=O)[O-]	ZINC000814927538	631684916	/nfs/dbraw/zinc/68/49/16/631684916.db2.gz	SWTBTLBKNNVVJK-SNVBAGLBSA-N	-1	0	281.331	3.290	20	30		CGEDRM
C[C@@H]1C(N=NCC2CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814933430	631688292	/nfs/dbraw/zinc/68/82/92/631688292.db2.gz	NZQNKRZRJMGYOH-DGCLKSJQSA-N	-1	0	280.412	3.279	20	30		CGEDRM
CC(=NOC/C=C/Cl)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814933975	631688622	/nfs/dbraw/zinc/68/86/22/631688622.db2.gz	GYSQJZWUPROGCY-ZQDDHMMRSA-N	-1	0	273.760	3.268	20	30		CGEDRM
C[C@H]1CC(=NNCC2(C)CCCC2)CC[C@H]1C(=O)[O-]	ZINC000814937425	631691802	/nfs/dbraw/zinc/69/18/02/631691802.db2.gz	GDWYRTODPAWBJP-WCQYABFASA-N	-1	0	266.385	3.033	20	30		CGEDRM
Cc1ccccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000210008812	635778094	/nfs/dbraw/zinc/77/80/94/635778094.db2.gz	MCOTUYJADAGCEY-TWGQIWQCSA-N	-1	0	254.285	3.302	20	30		CGEDRM
CCC(CC)(CNc1cc(C#N)ccc1C(C)=O)C(=O)[O-]	ZINC000818618015	632342446	/nfs/dbraw/zinc/34/24/46/632342446.db2.gz	ICQCRBVMVKSVEM-UHFFFAOYSA-N	-1	0	288.347	3.064	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000819433586	632459260	/nfs/dbraw/zinc/45/92/60/632459260.db2.gz	OTKDDYZQTNILTP-ZYHUDNBSSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCC1	ZINC000828123780	633568642	/nfs/dbraw/zinc/56/86/42/633568642.db2.gz	XZMHKGWEQBUVCN-UHFFFAOYSA-N	-1	0	277.295	3.209	20	30		CGEDRM
C=CCCCCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000831041970	633912491	/nfs/dbraw/zinc/91/24/91/633912491.db2.gz	KRPGLAAMHAVMDK-KGLIPLIRSA-N	-1	0	296.411	3.066	20	30		CGEDRM
CCCCCCCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000831173581	633923393	/nfs/dbraw/zinc/92/33/93/633923393.db2.gz	QJLBQBOOAXZTDR-UHFFFAOYSA-N	-1	0	291.351	3.019	20	30		CGEDRM
C[C@H]1CCC(=NNc2[n-]cnc3ncnc2-3)c2sccc21	ZINC000834941833	634291350	/nfs/dbraw/zinc/29/13/50/634291350.db2.gz	KILAJBXBKHOPFZ-QMMMGPOBSA-N	-1	0	298.375	3.128	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)[C@H](C)C1	ZINC000835006767	634311434	/nfs/dbraw/zinc/31/14/34/634311434.db2.gz	ISZIXMPOGMCMIY-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(CC1CCCC1)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835007592	634312477	/nfs/dbraw/zinc/31/24/77/634312477.db2.gz	YYHBEAKMFYVJOV-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCCSC2)c(F)c1	ZINC000835008200	634312737	/nfs/dbraw/zinc/31/27/37/634312737.db2.gz	HBMCCQKXJQZVEJ-VIFPVBQESA-N	-1	0	282.340	3.065	20	30		CGEDRM
CC(CC1CCOCC1)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009867	634314175	/nfs/dbraw/zinc/31/41/75/634314175.db2.gz	GFXHCGLFQLTVFH-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC(N=Nc1ncc(F)cc1F)[C@H](C)CCCCC(=O)[O-]	ZINC000835023196	634324212	/nfs/dbraw/zinc/32/42/12/634324212.db2.gz	CJQBCISPARVPKJ-SECBINFHSA-N	-1	0	299.321	3.429	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccsc1C	ZINC000835057898	634340897	/nfs/dbraw/zinc/34/08/97/634340897.db2.gz	VMXGTZSDSONFAL-ZDUSSCGKSA-N	-1	0	292.404	3.076	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@H]1C[C@H]1C	ZINC000841640110	635206555	/nfs/dbraw/zinc/20/65/55/635206555.db2.gz	DAXOHPDWPVCABI-PSASIEDQSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C[C@@H]1CCCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000844587909	635937346	/nfs/dbraw/zinc/93/73/46/635937346.db2.gz	JGUCUBRWOJSLRY-SNVBAGLBSA-N	-1	0	261.325	3.148	20	30		CGEDRM
Cc1c(N=NC2CCC[C@@H](C#N)C2)cccc1C(=O)[O-]	ZINC000844622546	635944643	/nfs/dbraw/zinc/94/46/43/635944643.db2.gz	FTSTXLYEUYKHKJ-LLVKDONJSA-N	-1	0	271.320	3.175	20	30		CGEDRM
C=C[C@@H](C)ONC(=O)CC[C@H]1CCc2ccccc21	ZINC000880548764	636019225	/nfs/dbraw/zinc/01/92/25/636019225.db2.gz	BTZBCIMPIXDQQS-TZMCWYRMSA-N	-1	0	259.349	3.119	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccccc1[C@H](C)CC	ZINC000846544492	636197346	/nfs/dbraw/zinc/19/73/46/636197346.db2.gz	REVRQHRHGJEWQH-OLZOCXBDSA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(Cl)c2)CCC1	ZINC000846545584	636197906	/nfs/dbraw/zinc/19/79/06/636197906.db2.gz	XRBHOXVDLCJQAG-LLVKDONJSA-N	-1	0	279.767	3.384	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccccc2)CCCC1	ZINC000846545308	636197928	/nfs/dbraw/zinc/19/79/28/636197928.db2.gz	VRRQKQLQHTWBJL-CYBMUJFWSA-N	-1	0	259.349	3.121	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]O[C@H](C)C=C)c1ccccc1	ZINC000846547743	636199294	/nfs/dbraw/zinc/19/92/94/636199294.db2.gz	FLTKHDQVQXNHTN-UKRRQHHQSA-N	-1	0	259.349	3.359	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000847104917	636338032	/nfs/dbraw/zinc/33/80/32/636338032.db2.gz	PMBWOLDEYLSXOA-JTQLQIEISA-N	-1	0	276.361	3.201	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CS1	ZINC000848412670	636570655	/nfs/dbraw/zinc/57/06/55/636570655.db2.gz	YSRHZZUNZOSQBC-MRVPVSSYSA-N	-1	0	282.340	3.207	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(CC(=O)[O-])cc2)C(C)(C)O1	ZINC000848414658	636571594	/nfs/dbraw/zinc/57/15/94/636571594.db2.gz	AZBDOBZWKHZHCC-UHFFFAOYSA-N	-1	0	290.363	3.059	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1	ZINC000006484153	636632334	/nfs/dbraw/zinc/63/23/34/636632334.db2.gz	IXFBXEVPPAJVKN-RUDMXATFSA-N	-1	0	272.275	3.436	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000849247017	636779074	/nfs/dbraw/zinc/77/90/74/636779074.db2.gz	NLZBLKQPCRGIFY-VOTSOKGWSA-N	-1	0	286.306	3.038	20	30		CGEDRM
C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054265	636780015	/nfs/dbraw/zinc/78/00/15/636780015.db2.gz	MJXQFAQWGURJKV-RYUDHWBXSA-N	-1	0	287.425	3.432	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000109033859	636922585	/nfs/dbraw/zinc/92/25/85/636922585.db2.gz	BGKGTGXDXAQIGS-UHFFFAOYSA-N	-1	0	283.412	3.450	20	30		CGEDRM
CC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC(F)(F)C1	ZINC000887268447	637785851	/nfs/dbraw/zinc/78/58/51/637785851.db2.gz	LSCMNXIBEHUFDJ-FZSIALSZSA-N	-1	0	284.262	3.155	20	30		CGEDRM
CC(=NN1CCCC[C@@H]1C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000853381808	637831749	/nfs/dbraw/zinc/83/17/49/637831749.db2.gz	MBZPIUCJBWNFOZ-YUTCNCBUSA-N	-1	0	280.412	3.374	20	30		CGEDRM
O=C([O-])[C@H]1CCC(=NOCC2CCC2)c2ccccc21	ZINC000853441580	637844816	/nfs/dbraw/zinc/84/48/16/637844816.db2.gz	XTLYGOQTSXITAK-AWEZNQCLSA-N	-1	0	273.332	3.169	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](c1ccccc1)[C@H](C)CC	ZINC000856032944	638288703	/nfs/dbraw/zinc/28/87/03/638288703.db2.gz	XUZYOOQYDVZHHP-UKRRQHHQSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](CCC)c1cccc(Cl)c1	ZINC000861924382	639629495	/nfs/dbraw/zinc/62/94/95/639629495.db2.gz	POIRIRJZOYLBIE-CYBMUJFWSA-N	-1	0	267.756	3.458	20	30		CGEDRM
Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC000156947164	639986304	/nfs/dbraw/zinc/98/63/04/639986304.db2.gz	VNDPBZPOYCZMCP-UHFFFAOYSA-N	-1	0	280.327	3.441	20	30		CGEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407557	640052161	/nfs/dbraw/zinc/05/21/61/640052161.db2.gz	LXUPEAYYPLKCJI-IINYFYTJSA-N	-1	0	289.356	3.141	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000078701596	640333350	/nfs/dbraw/zinc/33/33/50/640333350.db2.gz	HVANCZFBPYKXRA-UHFFFAOYSA-N	-1	0	291.372	3.226	20	30		CGEDRM
CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000079149661	640374366	/nfs/dbraw/zinc/37/43/66/640374366.db2.gz	UEGMDRWOYOUKMZ-UHFFFAOYSA-N	-1	0	297.420	3.221	20	30		CGEDRM
N#Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1	ZINC001250463812	805632263	/nfs/dbraw/zinc/63/22/63/805632263.db2.gz	MQTORGPUXNTEBO-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1	ZINC001250586642	805710194	/nfs/dbraw/zinc/71/01/94/805710194.db2.gz	KLFKSUWSCSGELF-UHFFFAOYSA-N	-1	0	263.296	3.341	20	30		CGEDRM
Cc1ccc(-c2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC001250636688	805742281	/nfs/dbraw/zinc/74/22/81/805742281.db2.gz	PGQASTVSFXBVMC-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc(Nc2cnc(C#N)c(Cl)c2)ccc1C(=O)[O-]	ZINC001211652995	814926535	/nfs/dbraw/zinc/92/65/35/814926535.db2.gz	VSVUDOXZWNBRAY-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
CC(C)c1scnc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC001160217366	806236339	/nfs/dbraw/zinc/23/63/39/806236339.db2.gz	MGRZDNOULXGLIM-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
C=C(C)c1cn(-c2ccc(-c3ccc(C(=O)[O-])o3)cc2)nn1	ZINC001254095993	806341209	/nfs/dbraw/zinc/34/12/09/806341209.db2.gz	NBTMIVUGYDFODI-UHFFFAOYSA-N	-1	0	295.298	3.259	20	30		CGEDRM
N#C[C@@H](Nc1ccccc1/C=C/C(=O)[O-])c1ccccc1	ZINC001161718907	806432086	/nfs/dbraw/zinc/43/20/86/806432086.db2.gz	VTRAKWOFJUMFPD-SIFUEBAJSA-N	-1	0	278.311	3.461	20	30		CGEDRM
C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176409100	799096714	/nfs/dbraw/zinc/09/67/14/799096714.db2.gz	ZSKDWFBUZJWGMQ-NSHDSACASA-N	-1	0	298.317	3.220	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccccc2)cs1	ZINC000299736893	799201812	/nfs/dbraw/zinc/20/18/12/799201812.db2.gz	NOIJQYMJLXNXRE-SREVYHEPSA-N	-1	0	258.298	3.342	20	30		CGEDRM
N#Cc1ccc(Nc2ccccc2C(=O)[O-])cc1F	ZINC000307915462	799216376	/nfs/dbraw/zinc/21/63/76/799216376.db2.gz	YYXNWNRIODDWEH-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000316260324	799241481	/nfs/dbraw/zinc/24/14/81/799241481.db2.gz	DQZBDBKLSPDSQZ-LLVKDONJSA-N	-1	0	298.289	3.165	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2scnc2C)n1	ZINC000588522522	799705551	/nfs/dbraw/zinc/70/55/51/799705551.db2.gz	HGASZBGGUVIKPN-UMBAGQNISA-N	-1	0	289.385	3.106	20	30		CGEDRM
N#Cc1ccc(-c2nnc(Cc3ccccc3F)o2)c([O-])c1	ZINC001255873402	806778531	/nfs/dbraw/zinc/77/85/31/806778531.db2.gz	ADSHQUHBWSGONU-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
N#Cc1c2c(cnc1-c1c([O-])cccc1Cl)CCC2	ZINC001244036180	803154587	/nfs/dbraw/zinc/15/45/87/803154587.db2.gz	JNBQLVDIIIFMRB-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1c([O-])cccc1Cl	ZINC001244048001	803160742	/nfs/dbraw/zinc/16/07/42/803160742.db2.gz	MLVPLMTXTLRVOO-UHFFFAOYSA-N	-1	0	269.691	3.412	20	30		CGEDRM
Nc1c(F)c(F)c(F)cc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001244170051	803221003	/nfs/dbraw/zinc/22/10/03/803221003.db2.gz	HJANVCBUEGIZTB-PTXOJBNSSA-N	-1	0	284.212	3.300	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(CC#N)ccc2OC)c1	ZINC001244175825	803226087	/nfs/dbraw/zinc/22/60/87/803226087.db2.gz	GXERKKHADYIXEM-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(/C(C)=N/O)cc2)c1	ZINC001244178345	803227699	/nfs/dbraw/zinc/22/76/99/803227699.db2.gz	JDGFAMHKULTNHY-LICLKQGHSA-N	-1	0	285.299	3.259	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(CCC(=O)[O-])cc1	ZINC001244188077	803233906	/nfs/dbraw/zinc/23/39/06/803233906.db2.gz	XVNJWLYFKOAPNJ-UHFFFAOYSA-N	-1	0	269.275	3.382	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cccc(OC)c1C#N	ZINC001244420231	803361311	/nfs/dbraw/zinc/36/13/11/803361311.db2.gz	IECYVEJVXFRRHQ-UHFFFAOYSA-N	-1	0	297.310	3.331	20	30		CGEDRM
N#Cc1cnc(-c2ccc(OC(F)(F)F)cc2[O-])c(F)c1	ZINC001244464827	803383217	/nfs/dbraw/zinc/38/32/17/803383217.db2.gz	QSIUOTRREIEIKC-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cc(C(=O)[O-])c(Cl)cc2F)n1	ZINC001244612061	803464276	/nfs/dbraw/zinc/46/42/76/803464276.db2.gz	IDOYKMPKKPRVQJ-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
COc1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1CC#N	ZINC001245315463	803698431	/nfs/dbraw/zinc/69/84/31/803698431.db2.gz	FUIHQUSLPFKPAA-UHFFFAOYSA-N	-1	0	299.301	3.194	20	30		CGEDRM
Nc1ncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1F	ZINC001245519256	803784857	/nfs/dbraw/zinc/78/48/57/803784857.db2.gz	JOQOXRICJIRXGI-DENHBWNVSA-N	-1	0	299.227	3.297	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1c(F)ccc([O-])c1Cl	ZINC001245830568	803984090	/nfs/dbraw/zinc/98/40/90/803984090.db2.gz	RGRMFIFXHWUXQN-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1ccc(-n2[n-]c(-c3cccc(C#N)c3)cc2=O)cc1	ZINC001245937649	804070465	/nfs/dbraw/zinc/07/04/65/804070465.db2.gz	RFOOTZHEGZXPMU-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2cc(Cl)ccc2C)[nH]1	ZINC001245952241	804086442	/nfs/dbraw/zinc/08/64/42/804086442.db2.gz	VIBPWPDVSHBSSM-UHFFFAOYSA-N	-1	0	260.724	3.106	20	30		CGEDRM
C[C@]1(C#N)CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140836254	804531976	/nfs/dbraw/zinc/53/19/76/804531976.db2.gz	SDNXQCNFVAOICE-CYBMUJFWSA-N	-1	0	285.174	3.435	20	30		CGEDRM
S=c1[n-]c2ccc(-c3noc(CCS)n3)cc2s1	ZINC001247516741	804760834	/nfs/dbraw/zinc/76/08/34/804760834.db2.gz	CUXKDKRGECRCHP-UHFFFAOYSA-N	-1	0	295.414	3.107	20	30		CGEDRM
N#Cc1cc(NC(=O)CC2Cc3ccccc3C2)ccc1O	ZINC001146800946	805090241	/nfs/dbraw/zinc/09/02/41/805090241.db2.gz	HONHIXCKOIMDDD-UHFFFAOYSA-N	-1	0	292.338	3.007	20	30		CGEDRM
CC(C)c1ccc(C(=O)N(O)C(=N)c2ccccc2N)cc1	ZINC001148322309	805174968	/nfs/dbraw/zinc/17/49/68/805174968.db2.gz	DGPBHZQSJZKOCU-UHFFFAOYSA-N	-1	0	297.358	3.249	20	30		CGEDRM
CCc1ccccc1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001148416786	805181201	/nfs/dbraw/zinc/18/12/01/805181201.db2.gz	XZPBIXCBPKYTJL-UHFFFAOYSA-N	-1	0	284.290	3.218	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CCC[C@@H](C#N)C1	ZINC001249697112	805217189	/nfs/dbraw/zinc/21/71/89/805217189.db2.gz	RHIKHVGOGVKKNB-NSHDSACASA-N	-1	0	291.445	3.341	20	30		CGEDRM
N#Cc1cc(Nc2ccc(N)cc2Cl)c([O-])cc1F	ZINC001249739658	805230853	/nfs/dbraw/zinc/23/08/53/805230853.db2.gz	VKNVQJMPDHGZJT-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
Cc1cccc2c(C(=O)Nc3ccc(O)c(C#N)c3)c[nH]c21	ZINC001151954988	805327186	/nfs/dbraw/zinc/32/71/86/805327186.db2.gz	DCUIKNGICCLECK-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2csc(Cl)c2)c1	ZINC001259118494	807674986	/nfs/dbraw/zinc/67/49/86/807674986.db2.gz	QKNGEQWXYSMAMI-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1ccc(C)c([N-]S(=O)(=O)C2CCCCC2)c1C#N	ZINC001259816293	807689686	/nfs/dbraw/zinc/68/96/86/807689686.db2.gz	WYXRSCCQNXPNGT-UHFFFAOYSA-N	-1	0	292.404	3.250	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1c(C)cccc1C#N	ZINC001260067898	807696411	/nfs/dbraw/zinc/69/64/11/807696411.db2.gz	MSLBQVJNZSCGJA-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC[C@@H](C)S(=O)(=O)[N-]c1sc2ccccc2c1C#N	ZINC001260725007	807700021	/nfs/dbraw/zinc/70/00/21/807700021.db2.gz	AFIOPHDDGHAISS-SECBINFHSA-N	-1	0	294.401	3.313	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)NCC2	ZINC001213148395	815244464	/nfs/dbraw/zinc/24/44/64/815244464.db2.gz	ZBGBZHXRAXEDMN-UHFFFAOYSA-N	-1	0	257.318	3.037	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174495756	809043039	/nfs/dbraw/zinc/04/30/39/809043039.db2.gz	WPOTUDFJQNDALJ-VMPITWQZSA-N	-1	0	279.299	3.103	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001174507906	809053099	/nfs/dbraw/zinc/05/30/99/809053099.db2.gz	RGYYNPLKRUJJHY-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1c(F)cccc1C#N	ZINC001174676296	809127056	/nfs/dbraw/zinc/12/70/56/809127056.db2.gz	CMGYGKMFTBCLQM-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1OC	ZINC001174677685	809127344	/nfs/dbraw/zinc/12/73/44/809127344.db2.gz	PBUFARXJHUJBJT-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cncc(C(F)(F)F)c1	ZINC001174742239	809149635	/nfs/dbraw/zinc/14/96/35/809149635.db2.gz	YMOWKYQWJVKCOA-UHFFFAOYSA-N	-1	0	285.250	3.483	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-n1ccc2c1cc(C#N)cc2N	ZINC001174984016	809226448	/nfs/dbraw/zinc/22/64/48/809226448.db2.gz	JCAJKKSPNZUUJE-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
Cc1cnc(Nc2cc(C(=O)[O-])ccc2C)c(C#N)c1	ZINC001174983693	809226555	/nfs/dbraw/zinc/22/65/55/809226555.db2.gz	QHFBVGFPJPJQTA-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1cnc(Nc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1	ZINC001175154092	809290604	/nfs/dbraw/zinc/29/06/04/809290604.db2.gz	CMMQNGWWMNGLNB-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001175157757	809291205	/nfs/dbraw/zinc/29/12/05/809291205.db2.gz	RQYPDZOLSQIOOB-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1F	ZINC001175219050	809311709	/nfs/dbraw/zinc/31/17/09/809311709.db2.gz	UAEIFWUJVGUABZ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175220475	809312828	/nfs/dbraw/zinc/31/28/28/809312828.db2.gz	PZEJPMXLSBUKGY-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175220869	809312892	/nfs/dbraw/zinc/31/28/92/809312892.db2.gz	FGPFZMSXGMRKQW-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176592630	809726575	/nfs/dbraw/zinc/72/65/75/809726575.db2.gz	LABMJRXBFHFUMS-ZZXKWVIFSA-N	-1	0	299.717	3.448	20	30		CGEDRM
Cc1cc(Cl)nc(Nc2ccc(C(=O)[O-])cc2)c1C#N	ZINC001176710775	809746242	/nfs/dbraw/zinc/74/62/42/809746242.db2.gz	NAADSVDRZAVLOW-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1C#N	ZINC001213629645	815314487	/nfs/dbraw/zinc/31/44/87/815314487.db2.gz	JSYARHIJSUDDPM-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
N#Cc1sccc1NC(=O)Cc1ccc([S-])cc1	ZINC001183186512	810138981	/nfs/dbraw/zinc/13/89/81/810138981.db2.gz	VEXHLDHDILGRFX-UHFFFAOYSA-N	-1	0	274.370	3.090	20	30		CGEDRM
CCCCN(O)C(=O)CCc1cccc(OCC)c1	ZINC001184314746	810190653	/nfs/dbraw/zinc/19/06/53/810190653.db2.gz	IVNUXZZHJOBJRL-UHFFFAOYSA-N	-1	0	265.353	3.036	20	30		CGEDRM
COc1cccc(NC(=O)c2cccc([S-])c2)c1C#N	ZINC001186152083	810316791	/nfs/dbraw/zinc/31/67/91/810316791.db2.gz	AJSWZSCWTZXONE-UHFFFAOYSA-N	-1	0	284.340	3.108	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])o1	ZINC001192682555	810814711	/nfs/dbraw/zinc/81/47/11/810814711.db2.gz	BBERJSUMBSBZLR-UHFFFAOYSA-N	-1	0	296.204	3.128	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2ccc([O-])c(F)c2F)s1	ZINC001192827006	810822421	/nfs/dbraw/zinc/82/24/21/810822421.db2.gz	HVGSMFUSGSVCSW-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
Cc1sccc1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001193379054	810881643	/nfs/dbraw/zinc/88/16/43/810881643.db2.gz	QPWVKKRVLXCJBU-UHFFFAOYSA-N	-1	0	276.292	3.025	20	30		CGEDRM
CC(C)(C)c1nnc([N-]c2cc(C#N)ccc2F)o1	ZINC001214590243	815428200	/nfs/dbraw/zinc/42/82/00/815428200.db2.gz	GAAQPQMMUHIECW-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3c(c2)N=NC3)c([O-])c1	ZINC001195759216	811288267	/nfs/dbraw/zinc/28/82/67/811288267.db2.gz	ZPULMZQYJVFSIU-UHFFFAOYSA-N	-1	0	278.271	3.113	20	30		CGEDRM
CC(=O)c1ccc(F)c([N-]c2onc(C)c2C#N)c1F	ZINC001214753750	815447551	/nfs/dbraw/zinc/44/75/51/815447551.db2.gz	HIXMBWZRSNAVOP-UHFFFAOYSA-N	-1	0	277.230	3.079	20	30		CGEDRM
CCCCCCCCCNC(=S)NCc1cc(=O)[n-]o1	ZINC001200378273	811683603	/nfs/dbraw/zinc/68/36/03/811683603.db2.gz	QBLYTGKJOQSVEQ-UHFFFAOYSA-N	-1	0	299.440	3.095	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201221399	811799057	/nfs/dbraw/zinc/79/90/57/811799057.db2.gz	BESIVJGCYRVAFG-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#CCc1cccc(Nc2ccsc2C(=O)[O-])c1	ZINC001215395603	815516749	/nfs/dbraw/zinc/51/67/49/815516749.db2.gz	NWRIQZUYRXORBW-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
Cc1cc2cc(Nc3cc(C#N)c(F)cc3[O-])cnc2[nH]1	ZINC001204936154	812783537	/nfs/dbraw/zinc/78/35/37/812783537.db2.gz	PXRSLSLCEIJXMW-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
N#C[C@@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1F	ZINC001205690930	813053626	/nfs/dbraw/zinc/05/36/26/813053626.db2.gz	RNDGXHOKMZLWKT-OAHLLOKOSA-N	-1	0	285.274	3.305	20	30		CGEDRM
O=C([O-])c1cc(-c2ccccc2C=NO)cc(F)c1F	ZINC001206058225	813185914	/nfs/dbraw/zinc/18/59/14/813185914.db2.gz	LVNHTRIFIGRZQP-UHFFFAOYSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1csc(C(=O)[O-])c1	ZINC001206244187	813254042	/nfs/dbraw/zinc/25/40/42/813254042.db2.gz	QSDPRPBXRQFUGH-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209894797	814191743	/nfs/dbraw/zinc/19/17/43/814191743.db2.gz	YRGVOWLYRONPSM-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(OC)c(C(=O)[O-])c2)c1	ZINC001209902925	814194182	/nfs/dbraw/zinc/19/41/82/814194182.db2.gz	MROMDGBDEKWDLI-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)c(OC)c2)cc1C(=O)[O-]	ZINC001209903414	814195201	/nfs/dbraw/zinc/19/52/01/814195201.db2.gz	MISQCMFROQEBHY-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1ccc(Nc2cc(F)cc(C#N)c2)cc1C(=O)[O-]	ZINC001209903578	814195699	/nfs/dbraw/zinc/19/56/99/814195699.db2.gz	ZODXETOWJYUADB-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1C#N	ZINC001210072045	814274137	/nfs/dbraw/zinc/27/41/37/814274137.db2.gz	SIEMXLAXLYFEOA-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210242640	814361916	/nfs/dbraw/zinc/36/19/16/814361916.db2.gz	XMPIYHRKILLWKG-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(C#N)ccc1[N-]c1nnc(C(C)(C)C)o1	ZINC001210371372	814427980	/nfs/dbraw/zinc/42/79/80/814427980.db2.gz	QOLLRFAFORLJJQ-UHFFFAOYSA-N	-1	0	256.309	3.291	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccccc1C(=O)[O-]	ZINC001210965611	814694446	/nfs/dbraw/zinc/69/44/46/814694446.db2.gz	RYFMWUHQSKJZJL-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccccc2C(=O)[O-])c1	ZINC001210967570	814695246	/nfs/dbraw/zinc/69/52/46/814695246.db2.gz	KEAGDDFQXYDIHS-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
C#Cc1cc(Nc2cccc(C(=O)[O-])c2OC)ccc1F	ZINC001211037923	814714732	/nfs/dbraw/zinc/71/47/32/814714732.db2.gz	WDQNHLRLSWZYEP-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cc(C)cc(C(=O)[O-])c2)c1	ZINC001211549828	814906439	/nfs/dbraw/zinc/90/64/39/814906439.db2.gz	PFVIHQSCOBDZRB-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cnc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001216309658	815776030	/nfs/dbraw/zinc/77/60/30/815776030.db2.gz	ISVXUOYAMCYVAR-UHFFFAOYSA-N	-1	0	281.315	3.320	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(C#N)c1F	ZINC001216414107	815819486	/nfs/dbraw/zinc/81/94/86/815819486.db2.gz	GUOYMUNUPRJAEB-UHFFFAOYSA-N	-1	0	259.265	3.080	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2C)c(C#N)c1	ZINC001216660639	815887404	/nfs/dbraw/zinc/88/74/04/815887404.db2.gz	ODRHMOALOCNGAZ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3cc(F)c([O-])cc3F)n2)c1	ZINC001216932521	815902843	/nfs/dbraw/zinc/90/28/43/815902843.db2.gz	WVJYYAWISZLWRG-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cnc(-c2ccccc2C(=O)[O-])c2ccccc12	ZINC001242877269	823161488	/nfs/dbraw/zinc/16/14/88/823161488.db2.gz	BDRHENTUSYMVET-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccccc1C(=O)[O-]	ZINC001242879321	823162364	/nfs/dbraw/zinc/16/23/64/823162364.db2.gz	ZNVLNSLROMUBJC-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC001242882143	823163434	/nfs/dbraw/zinc/16/34/34/823163434.db2.gz	VTRYZJLBKVQCBV-MHWRWJLKSA-N	-1	0	255.273	3.250	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3c(F)cc(C(=O)[O-])cc3F)c12	ZINC001222407401	816436563	/nfs/dbraw/zinc/43/65/63/816436563.db2.gz	FAUOVCPVOCPOSW-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)nc1C	ZINC001222658835	816493938	/nfs/dbraw/zinc/49/39/38/816493938.db2.gz	SEGRRAKCDNMNPW-UHFFFAOYSA-N	-1	0	292.338	3.353	20	30		CGEDRM
C=C[C@H](CCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223746816	816673876	/nfs/dbraw/zinc/67/38/76/816673876.db2.gz	TWXCGJDUXYDQLX-CYBMUJFWSA-N	-1	0	284.377	3.195	20	30		CGEDRM
CC[C@@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)C	ZINC001223891782	816699092	/nfs/dbraw/zinc/69/90/92/816699092.db2.gz	TYTOJGACRBJTRP-JFVSRZABSA-N	-1	0	281.352	3.291	20	30		CGEDRM
CCC[C@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893074	816699216	/nfs/dbraw/zinc/69/92/16/816699216.db2.gz	QNMHTKSDRCYNFQ-YOJQOHNYSA-N	-1	0	281.352	3.435	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCCC[C@@H]2C)c1	ZINC001223893255	816699300	/nfs/dbraw/zinc/69/93/00/816699300.db2.gz	TXNRGZONPFDUDE-UVNAGWBKSA-N	-1	0	293.363	3.435	20	30		CGEDRM
CCCCCCCC[C@@H](C)OCCS(=O)(=O)[O-]	ZINC001224572328	816828305	/nfs/dbraw/zinc/82/83/05/816828305.db2.gz	SIGQHIOUOLGDGB-GFCCVEGCSA-N	-1	0	266.403	3.030	20	30		CGEDRM
C=C[C@H](CCCCCCC)OCCCS(=O)(=O)[O-]	ZINC001224900222	816905287	/nfs/dbraw/zinc/90/52/87/816905287.db2.gz	SYPMVEOIIYNBHR-CYBMUJFWSA-N	-1	0	278.414	3.196	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518212	817082321	/nfs/dbraw/zinc/08/23/21/817082321.db2.gz	UWTQTQZXMBOTPC-NSHDSACASA-N	-1	0	270.350	3.057	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665694	817133113	/nfs/dbraw/zinc/13/31/13/817133113.db2.gz	DKCMRRBKNAJJKN-DGCLKSJQSA-N	-1	0	290.319	3.375	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]c(=O)ncc1F	ZINC001225886204	817206999	/nfs/dbraw/zinc/20/69/99/817206999.db2.gz	UQZRWANUHDNBKQ-JBLDHEPKSA-N	-1	0	266.316	3.081	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCc2cc(F)ccc21	ZINC001226008780	817246935	/nfs/dbraw/zinc/24/69/35/817246935.db2.gz	MJMWASLMSVKZTF-ZDUSSCGKSA-N	-1	0	288.253	3.003	20	30		CGEDRM
CC[C@H](C)[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069130	817263514	/nfs/dbraw/zinc/26/35/14/817263514.db2.gz	ZHULWQHVNJXWRU-JGVFFNPUSA-N	-1	0	288.269	3.491	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(C)cc(=O)[n-]2)C1	ZINC001226156568	817287960	/nfs/dbraw/zinc/28/79/60/817287960.db2.gz	PAALLFIPTPCXOI-OLZOCXBDSA-N	-1	0	260.337	3.170	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC001226184194	817292624	/nfs/dbraw/zinc/29/26/24/817292624.db2.gz	BZHHYAITRIXDMN-GXTWGEPZSA-N	-1	0	280.327	3.030	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226784671	817463387	/nfs/dbraw/zinc/46/33/87/817463387.db2.gz	HKOMDUPDEMKAHM-SECBINFHSA-N	-1	0	278.381	3.155	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccccc2C=NO)c1	ZINC001243181108	823276623	/nfs/dbraw/zinc/27/66/23/823276623.db2.gz	HKGHMOOYVPBAJZ-UHFFFAOYSA-N	-1	0	255.273	3.168	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cccc(CC#N)c1	ZINC001243203741	823289261	/nfs/dbraw/zinc/28/92/61/823289261.db2.gz	HKBKKEFXXIRPGT-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cnc2c(C#N)c[nH]c2c1	ZINC001243205445	823290545	/nfs/dbraw/zinc/29/05/45/823290545.db2.gz	IKTUGXAOQLVIQR-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])cc2C)ccc1F	ZINC001243212745	823294289	/nfs/dbraw/zinc/29/42/89/823294289.db2.gz	LHTFRZKPOVACOV-GIJQJNRQSA-N	-1	0	287.290	3.480	20	30		CGEDRM
C=CCC[C@H](CC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228440429	817906172	/nfs/dbraw/zinc/90/61/72/817906172.db2.gz	HUIQFKZOKOIYGJ-LBPRGKRZSA-N	-1	0	290.392	3.075	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)ncc1Cl	ZINC001228481602	817917362	/nfs/dbraw/zinc/91/73/62/817917362.db2.gz	FGBGVZLFWNNFOF-SECBINFHSA-N	-1	0	256.733	3.349	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)ncc1Cl	ZINC001228480210	817918036	/nfs/dbraw/zinc/91/80/36/817918036.db2.gz	KEDVRRXAJPQIPN-SECBINFHSA-N	-1	0	256.733	3.349	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-]	ZINC001228602852	817951738	/nfs/dbraw/zinc/95/17/38/817951738.db2.gz	GGEDLPKMFYFBJI-JTQLQIEISA-N	-1	0	293.323	3.091	20	30		CGEDRM
N#CCc1cccc(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243323518	823347561	/nfs/dbraw/zinc/34/75/61/823347561.db2.gz	YMQMVCKJQMMTFF-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3ccc([O-])c(F)c3F)cc12	ZINC001243342883	823357822	/nfs/dbraw/zinc/35/78/22/823357822.db2.gz	OADXEZPIXKORSH-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@H](C)CC[C@@H]2C)c1C#N	ZINC001233915555	818730320	/nfs/dbraw/zinc/73/03/20/818730320.db2.gz	MNHFSNPFQYSUCT-GBIKHYSHSA-N	-1	0	260.337	3.171	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N	ZINC001233919343	818730617	/nfs/dbraw/zinc/73/06/17/818730617.db2.gz	IDALKCKOKUWLIS-UFGOTCBOSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C#C[C@H](CCCCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331317	818839575	/nfs/dbraw/zinc/83/95/75/818839575.db2.gz	FGDUOHVRCYBGJW-GFCCVEGCSA-N	-1	0	298.275	3.119	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514487	818871542	/nfs/dbraw/zinc/87/15/42/818871542.db2.gz	WPWUTSUBGQRPET-GFCCVEGCSA-N	-1	0	283.331	3.331	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(/C=C/C(=O)[O-])cc1)CCC2	ZINC001235268573	819059425	/nfs/dbraw/zinc/05/94/25/819059425.db2.gz	HPFLJZBNDUIJHG-RMKNXTFCSA-N	-1	0	290.322	3.207	20	30		CGEDRM
N#CCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1C#N	ZINC001235459517	819104763	/nfs/dbraw/zinc/10/47/63/819104763.db2.gz	UKZZNBFQISBZPY-FPYGCLRLSA-N	-1	0	288.306	3.389	20	30		CGEDRM
Cc1nccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001235692281	819144039	/nfs/dbraw/zinc/14/40/39/819144039.db2.gz	UCMQSEVMFDKQEK-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235986822	819260843	/nfs/dbraw/zinc/26/08/43/819260843.db2.gz	XUKYXTWPPWHECG-UHFFFAOYSA-N	-1	0	296.248	3.140	20	30		CGEDRM
N#Cc1c2c(cnc1-c1c(F)cc(F)c([O-])c1F)CCC2	ZINC001235993788	819263545	/nfs/dbraw/zinc/26/35/45/819263545.db2.gz	OWXWWJLYUUMWJV-UHFFFAOYSA-N	-1	0	290.244	3.232	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235995303	819263912	/nfs/dbraw/zinc/26/39/12/819263912.db2.gz	XZJQJDLKECETRZ-UHFFFAOYSA-N	-1	0	278.233	3.246	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1ccc(C(=O)[O-])cc1	ZINC001236054899	819290104	/nfs/dbraw/zinc/29/01/04/819290104.db2.gz	FENSCPIWDGAIHX-UHFFFAOYSA-N	-1	0	253.301	3.484	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])cc2)cn1	ZINC001236061636	819294799	/nfs/dbraw/zinc/29/47/99/819294799.db2.gz	DPEINDGZLXSOCB-UHFFFAOYSA-N	-1	0	266.300	3.248	20	30		CGEDRM
Cc1c(Cl)c(-c2ncccc2C#N)ccc1C(=O)[O-]	ZINC001236107556	819324178	/nfs/dbraw/zinc/32/41/78/819324178.db2.gz	AQVIAGKKOKLDQK-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
CN(CCC#N)Cc1cc(Cl)c(Cl)cc1O	ZINC001236793565	819597623	/nfs/dbraw/zinc/59/76/23/819597623.db2.gz	LAAXETLVLMUUSP-UHFFFAOYSA-N	-1	0	259.136	3.044	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2cc(F)cc(F)c2O)c1	ZINC001243506110	823424085	/nfs/dbraw/zinc/42/40/85/823424085.db2.gz	PQIQOQNABYYYRZ-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
COc1nc(-c2ccc(C(F)(F)F)cc2[O-])ccc1C#N	ZINC001243605642	823464345	/nfs/dbraw/zinc/46/43/45/823464345.db2.gz	DJOSVESPEICMBO-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#Cc1ccc(-c2ccccc2/C=C/C(=O)[O-])cc1F	ZINC001240155083	820863248	/nfs/dbraw/zinc/86/32/48/820863248.db2.gz	SDXUZKGLQXBFBS-BQYQJAHWSA-N	-1	0	267.259	3.462	20	30		CGEDRM
CCn1nccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001240706848	821262202	/nfs/dbraw/zinc/26/22/02/821262202.db2.gz	PYOYXZOWKDLSDU-QGMBQPNBSA-N	-1	0	283.253	3.397	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(CS)c1	ZINC001240735813	821287953	/nfs/dbraw/zinc/28/79/53/821287953.db2.gz	FQNQKJNBRLOLED-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1ccc(C(=O)[O-])c(OC)c1	ZINC001240742644	821294215	/nfs/dbraw/zinc/29/42/15/821294215.db2.gz	OLCIGYAFSNIGQS-UHFFFAOYSA-N	-1	0	283.327	3.492	20	30		CGEDRM
COc1cc(-c2ccc(OCCC#N)cc2)ccc1C(=O)[O-]	ZINC001240744963	821296380	/nfs/dbraw/zinc/29/63/80/821296380.db2.gz	PUBQCOASSMXTNJ-UHFFFAOYSA-N	-1	0	297.310	3.353	20	30		CGEDRM
N#Cc1c(-c2ccc(C(=O)[O-])s2)ncc2c1CCCC2	ZINC001240846819	821367715	/nfs/dbraw/zinc/36/77/15/821367715.db2.gz	XLROPRFEBJHMSS-UHFFFAOYSA-N	-1	0	284.340	3.259	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240976009	821458951	/nfs/dbraw/zinc/45/89/51/821458951.db2.gz	OYZAZWCPUGJXIE-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1cccc(C(=O)[O-])c1	ZINC001241358583	821760058	/nfs/dbraw/zinc/76/00/58/821760058.db2.gz	WNMOHAQUXMPTTK-UHFFFAOYSA-N	-1	0	253.301	3.484	20	30		CGEDRM
Cc1nc(-c2cc(C(F)(F)F)ccc2[O-])cnc1C#N	ZINC001242131592	822888714	/nfs/dbraw/zinc/88/87/14/822888714.db2.gz	HKRZSFVMHHNAKE-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1ncc(C#N)c(-c2ccc([O-])c(C(F)(F)F)c2)n1	ZINC001242151378	822895925	/nfs/dbraw/zinc/89/59/25/822895925.db2.gz	KZXGLOUAWULZBH-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1ncc(-c2cccc(F)c2[O-])cc1C(F)(F)F	ZINC001242351349	822961198	/nfs/dbraw/zinc/96/11/98/822961198.db2.gz	HKFPUXQBLMUEIB-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
CCOC(=O)c1ccc(C#N)c(-c2cccc(F)c2[O-])c1	ZINC001242351478	822961248	/nfs/dbraw/zinc/96/12/48/822961248.db2.gz	WIDDUCPGGSLBJY-UHFFFAOYSA-N	-1	0	285.274	3.247	20	30		CGEDRM
COC(=O)c1cc(-c2cccc(Cl)c2[O-])ccc1C#N	ZINC001242365608	822969034	/nfs/dbraw/zinc/96/90/34/822969034.db2.gz	GSTOBKPRZLEREE-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(F)c(C#N)c(F)c1	ZINC001242390786	822979104	/nfs/dbraw/zinc/97/91/04/822979104.db2.gz	HRXUXUFFBAHHET-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
C=C(C)c1cncc(-c2cc(C(=O)[O-])ccc2OC)c1	ZINC001242390891	822979185	/nfs/dbraw/zinc/97/91/85/822979185.db2.gz	MVXNDGVGFWPDDK-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
N#Cc1cc(-c2ccc3ncccc3c2C#N)ccc1[O-]	ZINC001242566939	823036519	/nfs/dbraw/zinc/03/65/19/823036519.db2.gz	NKHWTGBRLMWAKE-UHFFFAOYSA-N	-1	0	271.279	3.351	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C	ZINC001345806633	936825392	/nfs/dbraw/zinc/82/53/92/936825392.db2.gz	NDQORCLULCPRKT-SFDCQRBFSA-N	-1	0	293.407	3.101	20	30		CGEDRM
CC[C@H](F)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC001345951257	936830514	/nfs/dbraw/zinc/83/05/14/936830514.db2.gz	IEWVCGCMGVNKNR-RYUDHWBXSA-N	-1	0	286.306	3.116	20	30		CGEDRM
CC(=NOC(C)(C)C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC001347634029	936890331	/nfs/dbraw/zinc/89/03/31/936890331.db2.gz	DPIHJAQFTKYNOY-NSHDSACASA-N	-1	0	279.336	3.078	20	30		CGEDRM
C#CCNC(=S)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000758236531	927504767	/nfs/dbraw/zinc/50/47/67/927504767.db2.gz	YDHZJRKYAKPSGB-NSHDSACASA-N	-1	0	289.429	3.000	20	30		CGEDRM
C=C(CNC(=O)c1cc(F)cc(F)c1[O-])c1ccccc1	ZINC001450840828	937387877	/nfs/dbraw/zinc/38/78/77/937387877.db2.gz	CTFJKRVPEYXTFF-UHFFFAOYSA-N	-1	0	289.281	3.114	20	30		CGEDRM
N#Cc1ccc(Nc2cc(=O)[n-]c(Cl)n2)c(Cl)c1	ZINC001213991430	932014502	/nfs/dbraw/zinc/01/45/02/932014502.db2.gz	GFAUJJKPFNFXKY-UHFFFAOYSA-N	-1	0	281.102	3.104	20	30		CGEDRM
CC(C)[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228900681	932048131	/nfs/dbraw/zinc/04/81/31/932048131.db2.gz	GWIGKOIUCDEXGP-OAHLLOKOSA-N	-1	0	268.316	3.435	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](Oc2nc[n-]c(=O)c2Cl)C(C)(C)O1	ZINC001230018084	932522193	/nfs/dbraw/zinc/52/21/93/932522193.db2.gz	MMBAKPYPWRMVIO-XPTSAGLGSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231044608	932664528	/nfs/dbraw/zinc/66/45/28/932664528.db2.gz	LXWVMJKYRYIGTK-YFKPBYRVSA-N	-1	0	258.108	3.218	20	30		CGEDRM
COc1cc(O)ccc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC001322495960	934308016	/nfs/dbraw/zinc/30/80/16/934308016.db2.gz	VLLQUZKTXBXFFO-YVMONPNESA-N	-1	0	284.311	3.311	20	30		CGEDRM
Cc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cnc1Cl	ZINC001323857516	934433193	/nfs/dbraw/zinc/43/31/93/934433193.db2.gz	LSZCZETVFLWXCM-RQOWECAXSA-N	-1	0	299.717	3.179	20	30		CGEDRM
C=CC[C@H]1N(C(=O)c2ccc(C(=O)[O-])o2)CCCC1(C)C	ZINC001327893799	935095711	/nfs/dbraw/zinc/09/57/11/935095711.db2.gz	YVGNIRMEHQSCQJ-CYBMUJFWSA-N	-1	0	291.347	3.185	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001337955912	936299679	/nfs/dbraw/zinc/29/96/79/936299679.db2.gz	QPMKAJKDDUQNEH-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
Cc1nc2c(cccc2C([O-])=C(C#N)c2cccc(F)n2)o1	ZINC001524739722	938045313	/nfs/dbraw/zinc/04/53/13/938045313.db2.gz	CLLLNAHANUOCJL-NSHDSACASA-N	-1	0	295.273	3.160	20	30		CGEDRM
Cc1ccc(/C=C\CC(=O)[N-]Oc2cccc(C#N)c2)cc1	ZINC001557922357	938212513	/nfs/dbraw/zinc/21/25/13/938212513.db2.gz	JIQXSVLGWRWWAE-ARJAWSKDSA-N	-1	0	292.338	3.380	20	30		CGEDRM
N#CCCc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC001560595815	938264694	/nfs/dbraw/zinc/26/46/94/938264694.db2.gz	NXCQUVHKWDWLLV-UHFFFAOYSA-N	-1	0	297.314	3.369	20	30		CGEDRM
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCC(F)(F)C1	ZINC000328583936	971511817	/nfs/dbraw/zinc/51/18/17/971511817.db2.gz	FYUHIQXHJMBHNN-MXWKQRLJSA-N	-1	0	289.322	3.412	20	30		CGEDRM
CCc1c(C)sc(NC(=O)CCCCC(=O)[O-])c1C#N	ZINC001593626856	953555522	/nfs/dbraw/zinc/55/55/22/953555522.db2.gz	APEHVLGZJZJSHT-UHFFFAOYSA-N	-1	0	294.376	3.074	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(CC#N)c2)c1	ZINC001594288739	957802381	/nfs/dbraw/zinc/80/23/81/957802381.db2.gz	HBMQMVVUYKVLQE-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
N#CCOc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001212602758	957861442	/nfs/dbraw/zinc/86/14/42/957861442.db2.gz	QKCBRCQXOIIEEK-UHFFFAOYSA-N	-1	0	283.262	3.049	20	30		CGEDRM
COc1cc(/C=C/C(=O)[O-])ccc1OCCC(C)(C)C#N	ZINC000087592536	958021566	/nfs/dbraw/zinc/02/15/66/958021566.db2.gz	MFCUJBBIDLWZFJ-FNORWQNLSA-N	-1	0	289.331	3.112	20	30		CGEDRM
C=CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)C	ZINC000162359110	959210175	/nfs/dbraw/zinc/21/01/75/959210175.db2.gz	RXNKLLDLJWIMKL-UHFFFAOYSA-N	-1	0	298.289	3.091	20	30		CGEDRM
CCCCCCCCCCn1nc(C(=O)[O-])ccc1=O	ZINC000229617268	960087344	/nfs/dbraw/zinc/08/73/44/960087344.db2.gz	DGJNMDZGNOFEHI-UHFFFAOYSA-N	-1	0	280.368	3.082	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001589644993	960505935	/nfs/dbraw/zinc/50/59/35/960505935.db2.gz	HLMXHZSMOQRRGQ-MCIONIFRSA-N	-1	0	283.412	3.353	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cc(C)c(C(=O)[O-])o2)oc1C	ZINC001600076119	960546253	/nfs/dbraw/zinc/54/62/53/960546253.db2.gz	ZYBVIXNDTDMILA-PLNGDYQASA-N	-1	0	274.272	3.392	20	30		CGEDRM
C=CCCCCCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602718805	960549604	/nfs/dbraw/zinc/54/96/04/960549604.db2.gz	AXFGJHALHGSCLL-MRXNPFEDSA-N	-1	0	279.380	3.050	20	30		CGEDRM
N#CCc1ccc(NCc2ccsc2C(=O)[O-])cc1	ZINC000236482819	960670385	/nfs/dbraw/zinc/67/03/85/960670385.db2.gz	JWFZKHGQZPVSCA-UHFFFAOYSA-N	-1	0	272.329	3.124	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)C2(CC(=O)[O-])CCC2)c1	ZINC001573329923	962248742	/nfs/dbraw/zinc/24/87/42/962248742.db2.gz	QAHLMFKCPUQDTF-UHFFFAOYSA-N	-1	0	273.332	3.303	20	30		CGEDRM
CCCCCCCCC/C=C/C(=O)N1CC(C(=O)[O-])C1	ZINC001573840790	962285559	/nfs/dbraw/zinc/28/55/59/962285559.db2.gz	KTHOCFGGJPJHTP-ZHACJKMWSA-N	-1	0	281.396	3.226	20	30		CGEDRM
C=C(C)CCNc1ncc(C(=O)[O-])cc1C(F)(F)F	ZINC001573324349	962783729	/nfs/dbraw/zinc/78/37/29/962783729.db2.gz	PTYSIWAUZFKVGI-UHFFFAOYSA-N	-1	0	274.242	3.177	20	30		CGEDRM
C=CCCCCCCCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC001573328901	962810749	/nfs/dbraw/zinc/81/07/49/962810749.db2.gz	RZAMQNLFOZXITQ-UHFFFAOYSA-N	-1	0	290.363	3.036	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1	ZINC001573330243	962814057	/nfs/dbraw/zinc/81/40/57/962814057.db2.gz	WUXUBRGIEOFQKQ-LBPRGKRZSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=CC1(CC(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC001573350149	962965529	/nfs/dbraw/zinc/96/55/29/962965529.db2.gz	CZGCKBYEDGHQCF-AWEZNQCLSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=C[C@H](SCc1ccc(SC)cc1)C(=O)[O-]	ZINC001588715044	963117102	/nfs/dbraw/zinc/11/71/02/963117102.db2.gz	SMUHRBWJCDBYEQ-NSHDSACASA-N	-1	0	254.376	3.281	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C)cc(F)c2-c2nn[nH]n2)cc1	ZINC001588374617	963268169	/nfs/dbraw/zinc/26/81/69/963268169.db2.gz	DLGYQURSYAZGMA-UHFFFAOYSA-N	-1	0	293.305	3.039	20	30		CGEDRM
C=C(CC)CSc1ccc(-c2nn[nH]n2)c(C)c1	ZINC001588444349	963272167	/nfs/dbraw/zinc/27/21/67/963272167.db2.gz	YDNXSACAJMQHEJ-UHFFFAOYSA-N	-1	0	260.366	3.233	20	30		CGEDRM
C=C[C@@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1	ZINC001588452603	963274579	/nfs/dbraw/zinc/27/45/79/963274579.db2.gz	PLKMGKPZURYSHD-RBJHHQRMSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC001588517969	963274794	/nfs/dbraw/zinc/27/47/94/963274794.db2.gz	KXIVMQSPALDUAR-UHFFFAOYSA-N	-1	0	296.282	3.326	20	30		CGEDRM
C=CCC1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCC1	ZINC001588458772	963275828	/nfs/dbraw/zinc/27/58/28/963275828.db2.gz	YUYQVBNPGNNZJS-HUUCEWRRSA-N	-1	0	299.370	3.162	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CCC1CCCCCC1)C(=O)[O-]	ZINC001588540315	963282042	/nfs/dbraw/zinc/28/20/42/963282042.db2.gz	CWOIMHZQVCEXDV-CQSZACIVSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ncc(C(=O)[O-])c2ccccc21	ZINC001588558836	963287098	/nfs/dbraw/zinc/28/70/98/963287098.db2.gz	DQJNUCIQYLDXKD-UHFFFAOYSA-N	-1	0	284.315	3.228	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC(C)C)CCC(C)C	ZINC001588612105	963292084	/nfs/dbraw/zinc/29/20/84/963292084.db2.gz	IRUUWGSIFDZVFV-UHFFFAOYSA-N	-1	0	283.412	3.328	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccccc1C(C)(F)F	ZINC001588633072	963292577	/nfs/dbraw/zinc/29/25/77/963292577.db2.gz	AKIADRJJJFMRQT-UHFFFAOYSA-N	-1	0	283.274	3.158	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588605925	963293534	/nfs/dbraw/zinc/29/35/34/963293534.db2.gz	QPYACSVGUMMACM-LSDHHAIUSA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1ccc(CC)cc1	ZINC001588619246	963295225	/nfs/dbraw/zinc/29/52/25/963295225.db2.gz	OYLXNYQTWJJJPG-UHFFFAOYSA-N	-1	0	289.375	3.021	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588673087	963296084	/nfs/dbraw/zinc/29/60/84/963296084.db2.gz	IGFGUHGITTZPHC-UHFFFAOYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(OC)cc2C(=O)[O-])CC1	ZINC001588649835	963298596	/nfs/dbraw/zinc/29/85/96/963298596.db2.gz	GTOCXZHMBWGNJJ-UHFFFAOYSA-N	-1	0	289.331	3.078	20	30		CGEDRM
C=C[C@H](C(=O)N[C@@H](CCCCC)C(=O)[O-])c1ccccc1	ZINC001588664115	963300232	/nfs/dbraw/zinc/30/02/32/963300232.db2.gz	OAKWBPACKZJTJV-GJZGRUSLSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CC(C)(C)CCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001588676771	963300779	/nfs/dbraw/zinc/30/07/79/963300779.db2.gz	ANEKLXDCMHKYJY-UHFFFAOYSA-N	-1	0	293.323	3.092	20	30		CGEDRM
C=CCC(F)(F)c1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC001588743462	963310553	/nfs/dbraw/zinc/31/05/53/963310553.db2.gz	XFCHHMZRXQHGBA-UHFFFAOYSA-N	-1	0	280.230	3.103	20	30		CGEDRM
C=CC[C@H](Sc1nccn1Cc1ccccc1)C(=O)[O-]	ZINC001588759591	963312587	/nfs/dbraw/zinc/31/25/87/963312587.db2.gz	XLZFIWFRWWZHHT-ZDUSSCGKSA-N	-1	0	288.372	3.053	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588773221	963315428	/nfs/dbraw/zinc/31/54/28/963315428.db2.gz	XOHZBZRSAJZPQG-LBPRGKRZSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588771537	963315439	/nfs/dbraw/zinc/31/54/39/963315439.db2.gz	XEUUDYDDOLNINJ-FZMZJTMJSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC001588792865	963318693	/nfs/dbraw/zinc/31/86/93/963318693.db2.gz	ONVMWYOIAJMFJS-HNNXBMFYSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=CCN(Cc1occc1C(=O)[O-])Cc1ccccc1F	ZINC001588831585	963322249	/nfs/dbraw/zinc/32/22/49/963322249.db2.gz	CCYLBBLDAKRDGK-UHFFFAOYSA-N	-1	0	289.306	3.305	20	30		CGEDRM
CC#CCCCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC001588927067	963330423	/nfs/dbraw/zinc/33/04/23/963330423.db2.gz	LAAIFKGHYJSPEW-UHFFFAOYSA-N	-1	0	297.713	3.309	20	30		CGEDRM
CC#CCCCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-]	ZINC001588927312	963332428	/nfs/dbraw/zinc/33/24/28/963332428.db2.gz	SJUYLTRKMSUDGL-UHFFFAOYSA-N	-1	0	297.713	3.309	20	30		CGEDRM
CC(=NO[C@H](C)c1nc(C(=O)[O-])co1)c1ccc(F)cc1	ZINC001589017649	963343333	/nfs/dbraw/zinc/34/33/33/963343333.db2.gz	XIAFYPFUGKEMBC-SECBINFHSA-N	-1	0	292.266	3.014	20	30		CGEDRM
CC1(C(=O)[O-])CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1	ZINC001589196567	963347231	/nfs/dbraw/zinc/34/72/31/963347231.db2.gz	XCJMCRXXDRKCST-ZDUSSCGKSA-N	-1	0	292.766	3.091	20	30		CGEDRM
CC1(C(=O)[O-])CCN([C@H](C#N)c2ccc(Cl)cc2)CC1	ZINC001589196566	963352217	/nfs/dbraw/zinc/35/22/17/963352217.db2.gz	XCJMCRXXDRKCST-CYBMUJFWSA-N	-1	0	292.766	3.091	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(CC)cc1C(=O)[O-])C(C)C	ZINC000314718524	963796155	/nfs/dbraw/zinc/79/61/55/963796155.db2.gz	DVUNWZRBSAEMJR-UHFFFAOYSA-N	-1	0	290.363	3.376	20	30		CGEDRM
C[C@@H](CCC#N)CNc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001592471605	978233175	/nfs/dbraw/zinc/23/31/75/978233175.db2.gz	UELQZVJSKCKKMM-STQMWFEESA-N	-1	0	274.364	3.302	20	30		CGEDRM
CCC/C(C)=C/C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001595566049	981459047	/nfs/dbraw/zinc/45/90/47/981459047.db2.gz	MTXHJTMLKWPKLL-DHZHZOJOSA-N	-1	0	287.315	3.046	20	30		CGEDRM
Cc1c(C(=O)[O-])cc(C=NNc2ccccc2Cl)n1C	ZINC001599984434	986208729	/nfs/dbraw/zinc/20/87/29/986208729.db2.gz	KEJPWXAOQIZGSU-UHFFFAOYSA-N	-1	0	291.738	3.131	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1cc(C(=O)[O-])cs1	ZINC001589780038	988146785	/nfs/dbraw/zinc/14/67/85/988146785.db2.gz	GLYULWMRLREDOR-UHFFFAOYSA-N	-1	0	280.393	3.208	20	30		CGEDRM
CCc1oc(C=NN[C@@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC001597792725	989334259	/nfs/dbraw/zinc/33/42/59/989334259.db2.gz	HMXXMSPAOSFWOD-NSHDSACASA-N	-1	0	286.331	3.225	20	30		CGEDRM
CN(CC#Cc1ccc(F)cc1)c1ccccc1C(=O)[O-]	ZINC001598375957	991562235	/nfs/dbraw/zinc/56/22/35/991562235.db2.gz	JDWFKVDDBXQXRX-UHFFFAOYSA-N	-1	0	283.302	3.012	20	30		CGEDRM
CC1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC001594197498	998764259	/nfs/dbraw/zinc/76/42/59/998764259.db2.gz	SVKXJPYFGZEFDC-UHFFFAOYSA-N	-1	0	252.701	3.236	20	30		CGEDRM
C[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001594352891	999336788	/nfs/dbraw/zinc/33/67/88/999336788.db2.gz	UGMHPILGZOZPMO-GHMZBOCLSA-N	-1	0	273.336	3.032	20	30		CGEDRM
CCCn1nc(C)c(-c2ccc(C(=O)[O-])c(C#N)c2)c1C	ZINC000594872131	347217697	/nfs/dbraw/zinc/21/76/97/347217697.db2.gz	VIDVFCCJGPSFKR-UHFFFAOYSA-N	-1	0	283.331	3.147	20	30		CGEDRM
N#Cc1csc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1	ZINC000600943401	347848415	/nfs/dbraw/zinc/84/84/15/347848415.db2.gz	ZXOZJEMCPBULSW-LSDHHAIUSA-N	-1	0	298.367	3.420	20	30		CGEDRM
CC(C)c1cc(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)[n-]1	ZINC000601937131	347926619	/nfs/dbraw/zinc/92/66/19/347926619.db2.gz	CADMGWNUSIYOPD-UHFFFAOYSA-N	-1	0	295.264	3.326	20	30		CGEDRM
CC1(C)CCC[C@@H]1n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000601943968	347927798	/nfs/dbraw/zinc/92/77/98/347927798.db2.gz	AQZUJFBXVXWFAW-HNNXBMFYSA-N	-1	0	281.359	3.073	20	30		CGEDRM
Cc1[n-]n([C@@H](Cc2ccccc2)C(C)C)c(=O)c1CCC#N	ZINC000601959989	347929247	/nfs/dbraw/zinc/92/92/47/347929247.db2.gz	QLKOINYXRSXRTH-IRXDYDNUSA-N	-1	0	297.402	3.392	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000607008868	348214142	/nfs/dbraw/zinc/21/41/42/348214142.db2.gz	AXQMCWBYDWAPES-GFCCVEGCSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1sc(/C=C/c2ccc(C#N)s2)nc1C(=O)[O-]	ZINC000352035193	219297456	/nfs/dbraw/zinc/29/74/56/219297456.db2.gz	NFYJAQVGUQLBQE-SNAWJCMRSA-N	-1	0	276.342	3.253	20	30		CGEDRM
Cc1nocc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000626423481	350304933	/nfs/dbraw/zinc/30/49/33/350304933.db2.gz	YTCXHCBEKVPFPY-SECBINFHSA-N	-1	0	289.360	3.227	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(C(F)F)c1)C(=O)[O-]	ZINC000630547721	350852277	/nfs/dbraw/zinc/85/22/77/350852277.db2.gz	VMCIRABGLHVXOO-LLVKDONJSA-N	-1	0	298.289	3.165	20	30		CGEDRM
N#Cc1cccc(SCc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000436472812	237112058	/nfs/dbraw/zinc/11/20/58/237112058.db2.gz	BJUJBWJIKZPCBG-UHFFFAOYSA-N	-1	0	286.312	3.464	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000276036752	193196032	/nfs/dbraw/zinc/19/60/32/193196032.db2.gz	VIXVIQRONOHXAX-OAHLLOKOSA-N	-1	0	261.321	3.136	20	30		CGEDRM
CS[C@H]1CCC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000117107609	370577960	/nfs/dbraw/zinc/57/79/60/370577960.db2.gz	XKXPXHJBQQJMAV-JXIANXGOSA-N	-1	0	294.376	3.394	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCCOC1	ZINC000171648089	372800336	/nfs/dbraw/zinc/80/03/36/372800336.db2.gz	NAIIZGGWKULUDI-UWJMNNEMSA-N	-1	0	274.147	3.297	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436650262	372838315	/nfs/dbraw/zinc/83/83/15/372838315.db2.gz	YJFUIVCYDXJSOE-UHFFFAOYSA-N	-1	0	261.321	3.280	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3oc(C)nc32)n1	ZINC000439025553	372972543	/nfs/dbraw/zinc/97/25/43/372972543.db2.gz	SLASAMBXYGKSOK-NSHDSACASA-N	-1	0	297.339	3.391	20	30		CGEDRM
Cc1cc(CN=c2[n-]nc(CC3CCCC3)o2)ccc1C#N	ZINC000446970353	373387654	/nfs/dbraw/zinc/38/76/54/373387654.db2.gz	ZKCZENHTLDBCTN-UHFFFAOYSA-N	-1	0	296.374	3.016	20	30		CGEDRM
Cc1cc(C#N)ccc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000178817329	373810907	/nfs/dbraw/zinc/81/09/07/373810907.db2.gz	GDADLNLCGKYGEA-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)s1	ZINC000311959872	374264391	/nfs/dbraw/zinc/26/43/91/374264391.db2.gz	ZDSSJTLXYWTBHW-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)s1	ZINC000335123401	375150734	/nfs/dbraw/zinc/15/07/34/375150734.db2.gz	ZYAWMKZJMCQPQK-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1[O-]	ZINC000188315577	375195527	/nfs/dbraw/zinc/19/55/27/375195527.db2.gz	CMQVVQCBSKOXNA-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000528904370	375914216	/nfs/dbraw/zinc/91/42/16/375914216.db2.gz	JVTFEJSIPGXCHY-UHFFFAOYSA-N	-1	0	266.728	3.314	20	30		CGEDRM
COc1ccc(-c2csc(C#N)c2)cc1C1(C(=O)[O-])CC1	ZINC000515171696	249203531	/nfs/dbraw/zinc/20/35/31/249203531.db2.gz	UUXXZERXBNFAEG-UHFFFAOYSA-N	-1	0	299.351	3.412	20	30		CGEDRM
C=CC[C@@H](CC)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000580956609	378271985	/nfs/dbraw/zinc/27/19/85/378271985.db2.gz	CSXHHBOMSOBIQH-SNVBAGLBSA-N	-1	0	278.308	3.368	20	30		CGEDRM
C=CCCC[C@H](C)N=c1[n-]c(C(F)(F)F)ns1	ZINC000398236208	379929205	/nfs/dbraw/zinc/92/92/05/379929205.db2.gz	WQQJUVSVCUWMPB-ZETCQYMHSA-N	-1	0	265.304	3.136	20	30		CGEDRM
C=CCOc1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1	ZINC000352923769	380039883	/nfs/dbraw/zinc/03/98/83/380039883.db2.gz	XADYFDXFNXJAFL-UHFFFAOYSA-N	-1	0	287.334	3.386	20	30		CGEDRM
CCCc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccn1	ZINC000355120596	380583068	/nfs/dbraw/zinc/58/30/68/380583068.db2.gz	NLWDHTLJRCGFGF-ZDUSSCGKSA-N	-1	0	285.372	3.289	20	30		CGEDRM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000070237949	392179964	/nfs/dbraw/zinc/17/99/64/392179964.db2.gz	IPEGIWIXHWMOQB-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
CC(C)[C@@H](/N=C/c1ccccc1O)C(=O)OC(C)(C)C	ZINC000121547512	392414030	/nfs/dbraw/zinc/41/40/30/392414030.db2.gz	WTRVCZPKUCBQAK-NGWPFTMJSA-N	-1	0	277.364	3.177	20	30		CGEDRM
CC[C@H](C)CON=c1[n-]c(C(F)(F)F)ccc1C#N	ZINC000291800313	392484999	/nfs/dbraw/zinc/48/49/99/392484999.db2.gz	JLWFMALNCGAMIG-QMMMGPOBSA-N	-1	0	273.258	3.362	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000669433997	543105646	/nfs/dbraw/zinc/10/56/46/543105646.db2.gz	DGFWFZMAIHENIY-GXTWGEPZSA-N	-1	0	287.359	3.194	20	30		CGEDRM
Cc1ncoc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000679404815	543635517	/nfs/dbraw/zinc/63/55/17/543635517.db2.gz	LSYLMASEHZHDTI-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CC(C)CS(=O)(=O)[N-]C(=O)C1CCCCCCC1	ZINC000076910411	260166521	/nfs/dbraw/zinc/16/65/21/260166521.db2.gz	LRAOZXYOTKAYOT-UHFFFAOYSA-N	-1	0	275.414	3.289	20	30		CGEDRM
COc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000106353500	261835172	/nfs/dbraw/zinc/83/51/72/261835172.db2.gz	CUOFFDOIQFMNGC-MRVPVSSYSA-N	-1	0	278.358	3.012	20	30		CGEDRM
N#C[C@]1(C(=O)Nc2cccc(Cl)c2[O-])CC12CCCC2	ZINC000295326381	263176102	/nfs/dbraw/zinc/17/61/02/263176102.db2.gz	SYFOVOCCUUNFQA-HNNXBMFYSA-N	-1	0	290.750	3.458	20	30		CGEDRM
CC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CCOCC1	ZINC000331251397	264181175	/nfs/dbraw/zinc/18/11/75/264181175.db2.gz	ZVMNUMNUNOVPJQ-ZDUSSCGKSA-N	-1	0	299.317	3.180	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	ZINC000189652126	264317457	/nfs/dbraw/zinc/31/74/57/264317457.db2.gz	ZNFYAHPHRCWNQI-MRVPVSSYSA-N	-1	0	295.795	3.486	20	30		CGEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1nc2ccccc2o1	ZINC000041547856	269988451	/nfs/dbraw/zinc/98/84/51/269988451.db2.gz	RTWXXVQIRBIITQ-ZDUSSCGKSA-N	-1	0	287.278	3.190	20	30		CGEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)[n-]c1C#N	ZINC000329230510	303215830	/nfs/dbraw/zinc/21/58/30/303215830.db2.gz	DNRTYHONKAFZJB-QJPTWQEYSA-N	-1	0	297.362	3.348	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C2CC(F)(F)C2)c1[O-]	ZINC000277206872	328220829	/nfs/dbraw/zinc/22/08/29/328220829.db2.gz	DMUDQZXAPVYITF-PJQLUOCWSA-N	-1	0	290.653	3.170	20	30		CGEDRM
C=C[C@@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1	ZINC000534736010	328358478	/nfs/dbraw/zinc/35/84/78/328358478.db2.gz	ZMHBRHLDIXXHNC-ZDUSSCGKSA-N	-1	0	293.370	3.074	20	30		CGEDRM
C=CCCCCCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000566463921	327379437	/nfs/dbraw/zinc/37/94/37/327379437.db2.gz	LRBJWHUPPWADRE-UHFFFAOYSA-N	-1	0	269.291	3.147	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000398112076	329433882	/nfs/dbraw/zinc/43/38/82/329433882.db2.gz	YXINKIGLXVZCEV-CJNGLKHVSA-N	-1	0	296.411	3.160	20	30		CGEDRM
C=C[C@H](CC(=O)N(CC(=O)[O-])[C@H](C)CC)c1ccccc1	ZINC000262826170	330034506	/nfs/dbraw/zinc/03/45/06/330034506.db2.gz	WUCADCVOTHAUIL-ZIAGYGMSSA-N	-1	0	289.375	3.058	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCC1	ZINC000263041924	330040410	/nfs/dbraw/zinc/04/04/10/330040410.db2.gz	DRRMARWMLKPNLI-UHFFFAOYSA-N	-1	0	259.305	3.070	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000263246117	330050582	/nfs/dbraw/zinc/05/05/82/330050582.db2.gz	GDRXBNSMTQAJGR-FUJMWEONSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C#C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1	ZINC000491639510	332259605	/nfs/dbraw/zinc/25/96/05/332259605.db2.gz	WRVVNYSOTJRKHX-PACYTGELSA-N	-1	0	298.273	3.233	20	30		CGEDRM
CCSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000546153038	334016787	/nfs/dbraw/zinc/01/67/87/334016787.db2.gz	PMMUTUDFTKYFMD-GFCCVEGCSA-N	-1	0	283.356	3.079	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CCCCC2)n1)c1ccncn1	ZINC000549465386	334194705	/nfs/dbraw/zinc/19/47/05/334194705.db2.gz	JQMDRYWWZBAQPF-GFCCVEGCSA-N	-1	0	296.330	3.002	20	30		CGEDRM
CC(C)[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163850760	519821739	/nfs/dbraw/zinc/82/17/39/519821739.db2.gz	FKQLVXPRISBALM-NSHDSACASA-N	-1	0	286.253	3.098	20	30		CGEDRM
CCNc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1[O-]	ZINC000436751752	528427176	/nfs/dbraw/zinc/42/71/76/528427176.db2.gz	NPYIDQWPRSUSGR-UHFFFAOYSA-N	-1	0	299.305	3.087	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)cc2)c1	ZINC000436652300	528462270	/nfs/dbraw/zinc/46/22/70/528462270.db2.gz	LTZIXVIDRDCSHY-UHFFFAOYSA-N	-1	0	294.310	3.109	20	30		CGEDRM
CCSc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354469336	529243607	/nfs/dbraw/zinc/24/36/07/529243607.db2.gz	QOUQEABLPQLKSI-ZDUSSCGKSA-N	-1	0	283.356	3.079	20	30		CGEDRM
C=CCCCN(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738492193	571804375	/nfs/dbraw/zinc/80/43/75/571804375.db2.gz	BPXTXVMDYGKYFS-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])ccc1F	ZINC000729143510	571877598	/nfs/dbraw/zinc/87/75/98/571877598.db2.gz	MPONFFNJHOPEGD-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CC(Cc1ccsc1)N=Nc1cccc(C(=O)[O-])c1	ZINC000729633939	571925991	/nfs/dbraw/zinc/92/59/91/571925991.db2.gz	SUMPKVDYGYYZEZ-UHFFFAOYSA-N	-1	0	274.345	3.477	20	30		CGEDRM
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-]	ZINC000737693822	571935085	/nfs/dbraw/zinc/93/50/85/571935085.db2.gz	IGSPLJSUWDBCEZ-LLVKDONJSA-N	-1	0	282.299	3.236	20	30		CGEDRM
COc1ccc(O)c(/C=N/[C@H](CC(=O)[O-])c2ccccc2)c1	ZINC000738041825	572363267	/nfs/dbraw/zinc/36/32/67/572363267.db2.gz	MGBHWDOQHDCWAQ-CLXYIWAZSA-N	-1	0	299.326	3.036	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C\c2ccoc2C(=O)[O-])c1	ZINC000738357481	572372476	/nfs/dbraw/zinc/37/24/76/572372476.db2.gz	IXVGBTFFEHYEKS-ARJAWSKDSA-N	-1	0	270.284	3.491	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NCCOc1cccc(C#N)c1	ZINC000738542188	572378616	/nfs/dbraw/zinc/37/86/16/572378616.db2.gz	URYUVHBYGSUNNR-UHFFFAOYSA-N	-1	0	296.326	3.056	20	30		CGEDRM
Cc1ccc2c(c1C)C(=O)/C(=C\c1ccoc1C(=O)[O-])CO2	ZINC000738669163	572386845	/nfs/dbraw/zinc/38/68/45/572386845.db2.gz	AZUYQDWPNHNGCQ-GHXNOFRVSA-N	-1	0	298.294	3.253	20	30		CGEDRM
N#Cc1ccccc1SCc1occc1C(=O)[O-]	ZINC000739141895	572402536	/nfs/dbraw/zinc/40/25/36/572402536.db2.gz	CJXHVYBZMOBDEF-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
Cc1cc(N=NC(C)c2ccc3ccccc3c2O)ncn1	ZINC000731935647	572439022	/nfs/dbraw/zinc/43/90/22/572439022.db2.gz	KECARNMKMUWYKL-UHFFFAOYSA-N	-1	0	292.342	3.480	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(NC(=O)[O-])cc2)c(F)c1	ZINC000740316495	572439908	/nfs/dbraw/zinc/43/99/08/572439908.db2.gz	YWUGOGMNSVFUOW-UHFFFAOYSA-N	-1	0	285.278	3.399	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc3ccccc3n2)cc1	ZINC000741449177	572498870	/nfs/dbraw/zinc/49/88/70/572498870.db2.gz	LFKJFFRDGFXBGZ-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CCC(CC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000726366167	572574046	/nfs/dbraw/zinc/57/40/46/572574046.db2.gz	RBWGJIHUJQJKHG-OAHLLOKOSA-N	-1	0	283.371	3.432	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1sc(C)nc1C	ZINC000726738445	572595836	/nfs/dbraw/zinc/59/58/36/572595836.db2.gz	WHAVKGBMPHWPDU-UHFFFAOYSA-N	-1	0	289.360	3.294	20	30		CGEDRM
CC(N=Nc1cccnn1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000735974340	572758360	/nfs/dbraw/zinc/75/83/60/572758360.db2.gz	CECPZJDTCPDPJL-UHFFFAOYSA-N	-1	0	297.145	3.325	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1	ZINC000736108884	572768023	/nfs/dbraw/zinc/76/80/23/572768023.db2.gz	SXZFOJFKYOWJRP-UHFFFAOYSA-N	-1	0	271.316	3.166	20	30		CGEDRM
CCCCCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736985332	572833092	/nfs/dbraw/zinc/83/30/92/572833092.db2.gz	WAUWLMILVVGQOO-HNNXBMFYSA-N	-1	0	289.331	3.198	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c[nH]c3ccc(F)cc23)cc1	ZINC000747041724	572906757	/nfs/dbraw/zinc/90/67/57/572906757.db2.gz	BAPGSVHHXVGELI-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
CC[C@H](C)NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000790182641	629189965	/nfs/dbraw/zinc/18/99/65/629189965.db2.gz	FMDAGTHICVEGOP-ZETCQYMHSA-N	-1	0	261.152	3.421	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000136007565	600277837	/nfs/dbraw/zinc/27/78/37/600277837.db2.gz	UVATTYYZYJEBCP-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
N#CCc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1	ZINC000833068725	600733628	/nfs/dbraw/zinc/73/36/28/600733628.db2.gz	BCTAWUMUAWCRDQ-HNNXBMFYSA-N	-1	0	284.290	3.130	20	30		CGEDRM
N#CC1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCCC1	ZINC000833065200	600914517	/nfs/dbraw/zinc/91/45/17/600914517.db2.gz	VFNXIAXGAFXAJN-UHFFFAOYSA-N	-1	0	293.706	3.028	20	30		CGEDRM
C/C(=C\CN(CC(C)C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000825729325	601159727	/nfs/dbraw/zinc/15/97/27/601159727.db2.gz	CVIMNYYOLRWBHO-MDWZMJQESA-N	-1	0	272.348	3.052	20	30		CGEDRM
C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccs1	ZINC000827717857	601297207	/nfs/dbraw/zinc/29/72/07/601297207.db2.gz	LUHJEGYGCDHRSW-QMTHXVAHSA-N	-1	0	286.356	3.096	20	30		CGEDRM
CCCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000829527616	601330429	/nfs/dbraw/zinc/33/04/29/601330429.db2.gz	IDNGBQMLAZBNKP-POHAHGRESA-N	-1	0	299.326	3.398	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CCO2	ZINC000832961441	601330876	/nfs/dbraw/zinc/33/08/76/601330876.db2.gz	AWFVFXJYVPEBKL-PKNBQFBNSA-N	-1	0	297.310	3.070	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000825671647	601451578	/nfs/dbraw/zinc/45/15/78/601451578.db2.gz	YKPKWSBPYAUWCQ-UHFFFAOYSA-N	-1	0	267.712	3.333	20	30		CGEDRM
CC(C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)=C1CCCC1	ZINC000826061517	601567683	/nfs/dbraw/zinc/56/76/83/601567683.db2.gz	VWNKALWBMKIHRI-OAHLLOKOSA-N	-1	0	299.326	3.118	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/CSc3ccccc3C2=O)c[nH]1	ZINC000833298191	601791527	/nfs/dbraw/zinc/79/15/27/601791527.db2.gz	PSPFCFJDVGBDOF-YHYXMXQVSA-N	-1	0	285.324	3.085	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000208354468	601825463	/nfs/dbraw/zinc/82/54/63/601825463.db2.gz	NITNVKUWVUVADU-UITAMQMPSA-N	-1	0	282.295	3.295	20	30		CGEDRM
Cc1cc(OCC(=O)[O-])ccc1NCCCC(C)(C)C#N	ZINC000832902318	601907675	/nfs/dbraw/zinc/90/76/75/601907675.db2.gz	OQPSLXLSKCLQRI-UHFFFAOYSA-N	-1	0	290.363	3.200	20	30		CGEDRM
Cc1ccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000794854590	602065722	/nfs/dbraw/zinc/06/57/22/602065722.db2.gz	IRJUOXOUSIOKCM-ZDUSSCGKSA-N	-1	0	298.342	3.293	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000776620594	602167021	/nfs/dbraw/zinc/16/70/21/602167021.db2.gz	QRNAMTHJSJRDTQ-OAHLLOKOSA-N	-1	0	287.359	3.039	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(N=Cc2ccccc2O)cc1	ZINC000825403373	603240822	/nfs/dbraw/zinc/24/08/22/603240822.db2.gz	WHNGPKCZYOIKFE-NSHDSACASA-N	-1	0	284.315	3.471	20	30		CGEDRM
Cc1oc(/C=C2/CCCC(C)(C)C2=O)cc1C(=O)[O-]	ZINC000899363467	620658815	/nfs/dbraw/zinc/65/88/15/620658815.db2.gz	NGQNIJQRAAFTOT-YFHOEESVSA-N	-1	0	262.305	3.449	20	30		CGEDRM
N#Cc1ccccc1COc1cccc(NC(=O)[O-])c1	ZINC000831152602	603634580	/nfs/dbraw/zinc/63/45/80/603634580.db2.gz	GJRJXVRLBWQNGX-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1CC(=O)[O-]	ZINC000042162304	604468009	/nfs/dbraw/zinc/46/80/09/604468009.db2.gz	DOXLNXIYFDVDRB-NSHDSACASA-N	-1	0	298.264	3.021	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1cccc(NC(=O)[O-])c1)OCC	ZINC000833367481	604543371	/nfs/dbraw/zinc/54/33/71/604543371.db2.gz	MGTWFNDQDKKQJX-CYBMUJFWSA-N	-1	0	292.335	3.086	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1	ZINC000220149595	604626348	/nfs/dbraw/zinc/62/63/48/604626348.db2.gz	HTYZDHKGCFRMHT-WTKPLQERSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2F)cc1	ZINC000833309899	604630806	/nfs/dbraw/zinc/63/08/06/604630806.db2.gz	IJPWIGSJWICQPV-MDZDMXLPSA-N	-1	0	270.259	3.420	20	30		CGEDRM
CC1(C)CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763369440	604668456	/nfs/dbraw/zinc/66/84/56/604668456.db2.gz	WKGQYZZDCXNJEU-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1c1ccccc1	ZINC000763372360	604669117	/nfs/dbraw/zinc/66/91/17/604669117.db2.gz	WURGAMCXOCKVRS-FZMZJTMJSA-N	-1	0	295.342	3.371	20	30		CGEDRM
Cc1cc([C@H](C)Sc2ccc(C#N)cn2)oc1C(=O)[O-]	ZINC000832873413	604712710	/nfs/dbraw/zinc/71/27/10/604712710.db2.gz	JXXVCONAQSTDNN-VIFPVBQESA-N	-1	0	288.328	3.406	20	30		CGEDRM
C#CCOc1cc(F)ccc1NCc1ccc(C(=O)[O-])cc1	ZINC000833366118	604774798	/nfs/dbraw/zinc/77/47/98/604774798.db2.gz	GZLGZULJGFHDFP-UHFFFAOYSA-N	-1	0	299.301	3.148	20	30		CGEDRM
C[C@H](Oc1ccc(CNc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000833541154	604789276	/nfs/dbraw/zinc/78/92/76/604789276.db2.gz	ZPJVPLKDZPPYPD-LBPRGKRZSA-N	-1	0	296.326	3.022	20	30		CGEDRM
CC(=NOCc1cccnc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814884482	604870599	/nfs/dbraw/zinc/87/05/99/604870599.db2.gz	YOWAJNXUUHPGAH-LBPRGKRZSA-N	-1	0	278.352	3.255	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC[C@H]1CCOc2ccccc21	ZINC000752163539	605098171	/nfs/dbraw/zinc/09/81/71/605098171.db2.gz	ZXOZISXGWVHEFT-GFCCVEGCSA-N	-1	0	296.326	3.349	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2ncccc2c1	ZINC000793002193	605101060	/nfs/dbraw/zinc/10/10/60/605101060.db2.gz	OWNBMQXYEADERV-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C[C@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000783863747	605329073	/nfs/dbraw/zinc/32/90/73/605329073.db2.gz	RMJNZZVUCKEYRW-QWRGUYRKSA-N	-1	0	261.325	3.004	20	30		CGEDRM
Cc1ccc(C#N)c(NCCc2ccc(NC(=O)[O-])cc2)n1	ZINC000833747517	605342471	/nfs/dbraw/zinc/34/24/71/605342471.db2.gz	SOXANBRJGKFEOY-UHFFFAOYSA-N	-1	0	296.330	3.006	20	30		CGEDRM
N#Cc1cccc(CSCC2CCN(C(=O)[O-])CC2)c1	ZINC000833976472	605408922	/nfs/dbraw/zinc/40/89/22/605408922.db2.gz	NJMBOWRJQWARLY-UHFFFAOYSA-N	-1	0	290.388	3.181	20	30		CGEDRM
N#Cc1ccc(C(=O)OCc2cccc(NC(=O)[O-])c2)cc1	ZINC000831122976	605537559	/nfs/dbraw/zinc/53/75/59/605537559.db2.gz	YEGZBFUYKGWPQL-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000833361708	605580247	/nfs/dbraw/zinc/58/02/47/605580247.db2.gz	IDHXACZZQPKCLR-UHFFFAOYSA-N	-1	0	277.295	3.046	20	30		CGEDRM
CC(C)(C)c1ccc(NN=Cc2cccn2CC(=O)[O-])cc1	ZINC000833449152	605596068	/nfs/dbraw/zinc/59/60/68/605596068.db2.gz	OLVUTLFUCZXVNI-UHFFFAOYSA-N	-1	0	299.374	3.316	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C#N)cc1F	ZINC000781121240	605783539	/nfs/dbraw/zinc/78/35/39/605783539.db2.gz	HEYRQSNJHBOVMN-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
O=C([O-])NC1(C/N=C/c2c(O)ccc3ccccc32)CCC1	ZINC000834153698	606071297	/nfs/dbraw/zinc/07/12/97/606071297.db2.gz	FIUPRXRTGXEGSQ-VCHYOVAHSA-N	-1	0	298.342	3.155	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CC(C)C)c(C)s1	ZINC000049501725	617611311	/nfs/dbraw/zinc/61/13/11/617611311.db2.gz	IMXJWAKPFTZPSR-UHFFFAOYSA-N	-1	0	275.395	3.056	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)c(C)s1	ZINC000049501659	617611510	/nfs/dbraw/zinc/61/15/10/617611510.db2.gz	XXJUWGOFENWHIZ-NSHDSACASA-N	-1	0	299.417	3.366	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1	ZINC000254971340	617707463	/nfs/dbraw/zinc/70/74/63/617707463.db2.gz	ZROWLUAVSXSYIC-XQRVVYSFSA-N	-1	0	267.259	3.299	20	30		CGEDRM
Cc1nc(C2CC2)oc1C(=O)N(O)Cc1ccc(F)cc1	ZINC000900094148	620761305	/nfs/dbraw/zinc/76/13/05/620761305.db2.gz	HOKBVWLVIATIBY-UHFFFAOYSA-N	-1	0	290.294	3.031	20	30		CGEDRM
O=C(c1ccc(Cl)cc1[O-])N(O)Cc1ccc(F)cc1	ZINC000900096231	620762525	/nfs/dbraw/zinc/76/25/25/620762525.db2.gz	WMGFTUPTWZDMOA-UHFFFAOYSA-N	-1	0	295.697	3.216	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@H](CCC)C(=O)[O-])c1	ZINC000900355553	620781965	/nfs/dbraw/zinc/78/19/65/620781965.db2.gz	PENWMMJOURSVEM-CYBMUJFWSA-N	-1	0	276.336	3.095	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1cccc(C(=C)C)c1)C(=O)[O-]	ZINC000900356021	620782337	/nfs/dbraw/zinc/78/23/37/620782337.db2.gz	YZBSWKFGLBDEQR-AWEZNQCLSA-N	-1	0	288.347	3.261	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000255361196	618219007	/nfs/dbraw/zinc/21/90/07/618219007.db2.gz	WMSNJGSATZUKNP-UTCJRWHESA-N	-1	0	273.244	3.098	20	30		CGEDRM
COc1cc(C)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000255437802	618470395	/nfs/dbraw/zinc/47/03/95/618470395.db2.gz	AOEYAWPVTDBWAR-UHFFFAOYSA-N	-1	0	286.287	3.368	20	30		CGEDRM
CC[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](C)C#N	ZINC000091983493	618539053	/nfs/dbraw/zinc/53/90/53/618539053.db2.gz	GABIZYUVITZAEQ-JTQLQIEISA-N	-1	0	297.196	3.136	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cn1	ZINC000255474821	618562044	/nfs/dbraw/zinc/56/20/44/618562044.db2.gz	NLUVLIXOLJQAEZ-HYXAFXHYSA-N	-1	0	274.295	3.205	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1C#N	ZINC000255514750	618640138	/nfs/dbraw/zinc/64/01/38/618640138.db2.gz	CROPPRZLKNGOSB-DJWKRKHSSA-N	-1	0	297.285	3.308	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000072595056	625312181	/nfs/dbraw/zinc/31/21/81/625312181.db2.gz	FSSYTIUYQBNKQN-SECBINFHSA-N	-1	0	289.784	3.421	20	30		CGEDRM
C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054413	619393304	/nfs/dbraw/zinc/39/33/04/619393304.db2.gz	VHYPSMSIULFZEX-WDEREUQCSA-N	-1	0	273.398	3.042	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519720	619504065	/nfs/dbraw/zinc/50/40/65/619504065.db2.gz	MIVODMOXVQQZOI-UHFFFAOYSA-N	-1	0	295.404	3.257	20	30		CGEDRM
CC[C@H](NN=Cc1ccc(Cl)c(C)c1Cl)C(=O)[O-]	ZINC000901245723	620845876	/nfs/dbraw/zinc/84/58/76/620845876.db2.gz	GEYJLDXWBFNIQX-JTQLQIEISA-N	-1	0	289.162	3.089	20	30		CGEDRM
C=CCCC[C@@H](C(=O)N[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000901426632	620884074	/nfs/dbraw/zinc/88/40/74/620884074.db2.gz	LADIKCIWKGPUTF-UKRRQHHQSA-N	-1	0	289.375	3.106	20	30		CGEDRM
O=C(/C=C/c1ccnn1CC1CC1)c1c([O-])cccc1F	ZINC000901561090	620929509	/nfs/dbraw/zinc/92/95/09/620929509.db2.gz	NCWQEGFTTFRJLU-VOTSOKGWSA-N	-1	0	286.306	3.034	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC000902631349	621389171	/nfs/dbraw/zinc/38/91/71/621389171.db2.gz	TTZAFYAMWUPVNV-VOTSOKGWSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C[C@@H]1COC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000905003252	622027469	/nfs/dbraw/zinc/02/74/69/622027469.db2.gz	PWTWPIJDENWFFL-PLEGFUGSSA-N	-1	0	274.147	3.153	20	30		CGEDRM
CC(C)(C)c1coc(C=NNc2cccc(C(=O)[O-])c2)n1	ZINC000905417534	622070895	/nfs/dbraw/zinc/07/08/95/622070895.db2.gz	AAENAKJQLRCKCP-UHFFFAOYSA-N	-1	0	287.319	3.116	20	30		CGEDRM
C=CC1(CC(=O)NC2CCC(C(=O)[O-])CC2)CCCCC1	ZINC000907586280	622303036	/nfs/dbraw/zinc/30/30/36/622303036.db2.gz	MAGMNONIGSHXBC-UHFFFAOYSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)C1	ZINC000909185726	622402175	/nfs/dbraw/zinc/40/21/75/622402175.db2.gz	BZSISPRTBAPWJU-UHFFFAOYSA-N	-1	0	298.342	3.021	20	30		CGEDRM
CCCCCCCNC(=O)c1ccccc1CCC(=O)[O-]	ZINC000910191726	622466491	/nfs/dbraw/zinc/46/64/91/622466491.db2.gz	KZKRCADROHDYLQ-UHFFFAOYSA-N	-1	0	291.391	3.404	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1oc(C(=O)[O-])cc1C	ZINC000910379383	622481583	/nfs/dbraw/zinc/48/15/83/622481583.db2.gz	MOEWDMPSZXPROZ-UHFFFAOYSA-N	-1	0	279.336	3.008	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000910515145	622489695	/nfs/dbraw/zinc/48/96/95/622489695.db2.gz	CFPOQHBGEOKRJT-DZGCQCFKSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CC[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163864795	622805762	/nfs/dbraw/zinc/80/57/62/622805762.db2.gz	CAYUHVOWKPQJRV-MRVPVSSYSA-N	-1	0	286.253	3.100	20	30		CGEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)C1CCCCC1	ZINC000045100051	622843160	/nfs/dbraw/zinc/84/31/60/622843160.db2.gz	LLIACYOBWYONCV-UHFFFAOYSA-N	-1	0	299.367	3.192	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058073714	622898821	/nfs/dbraw/zinc/89/88/21/622898821.db2.gz	ZBXMYFFQZNKWGY-UHFFFAOYSA-N	-1	0	261.387	3.042	20	30		CGEDRM
COC(=O)CCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000060804127	623072480	/nfs/dbraw/zinc/07/24/80/623072480.db2.gz	UIQRKFCNUAOEQA-VIZOYTHASA-N	-1	0	290.146	3.071	20	30		CGEDRM
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000152083279	623615368	/nfs/dbraw/zinc/61/53/68/623615368.db2.gz	NMYGLEKESOYINQ-VIFPVBQESA-N	-1	0	299.330	3.001	20	30		CGEDRM
C[C@H]1C(=NOC2CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814894642	625666418	/nfs/dbraw/zinc/66/64/18/625666418.db2.gz	OUEIWOPDBVLIOW-CMPLNLGQSA-N	-1	0	267.369	3.459	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1	ZINC000915106136	623895573	/nfs/dbraw/zinc/89/55/73/623895573.db2.gz	LCXQLBSJWHLHGP-RMKNXTFCSA-N	-1	0	284.286	3.349	20	30		CGEDRM
CCC(C[C@@H](C)CC)=NNc1cnnc([O-])c1Cl	ZINC000915957665	624079871	/nfs/dbraw/zinc/07/98/71/624079871.db2.gz	QGDVMAZUVNHOFR-QMMMGPOBSA-N	-1	0	270.764	3.450	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1ccc(CC(=O)[O-])cc1	ZINC000915962791	624092037	/nfs/dbraw/zinc/09/20/37/624092037.db2.gz	VYUXZUQGMDWNRD-UHFFFAOYSA-N	-1	0	293.326	3.021	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(C)oc1C	ZINC000916240912	624125818	/nfs/dbraw/zinc/12/58/18/624125818.db2.gz	VMLVCFPUPNKETD-UHFFFAOYSA-N	-1	0	272.304	3.431	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C(C)(C)C)n2)n1	ZINC000873495175	634390348	/nfs/dbraw/zinc/39/03/48/634390348.db2.gz	DQQZVIGUPVKHEJ-SECBINFHSA-N	-1	0	289.360	3.227	20	30		CGEDRM
CCc1ccsc1C(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000073838227	626070274	/nfs/dbraw/zinc/07/02/74/626070274.db2.gz	ZZLOVRWWPHBTBV-UHFFFAOYSA-N	-1	0	289.422	3.134	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C)cc1C	ZINC000756901102	626740466	/nfs/dbraw/zinc/74/04/66/626740466.db2.gz	KBZGGZPZLWKQNC-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1F	ZINC000757473624	626781398	/nfs/dbraw/zinc/78/13/98/626781398.db2.gz	ZWUYGFIOKATBLE-DAXSKMNVSA-N	-1	0	272.275	3.441	20	30		CGEDRM
Cc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1F	ZINC000757473597	626781611	/nfs/dbraw/zinc/78/16/11/626781611.db2.gz	ZFBWBZOGJWUWDA-CLTKARDFSA-N	-1	0	272.275	3.441	20	30		CGEDRM
O=C(/C=C1/COc2ccc(F)cc21)c1ccccc1[O-]	ZINC000757474979	626782095	/nfs/dbraw/zinc/78/20/95/626782095.db2.gz	PEBOWSQLMPSBDP-YFHOEESVSA-N	-1	0	270.259	3.190	20	30		CGEDRM
O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(F)cc1[O-]	ZINC000757477082	626782404	/nfs/dbraw/zinc/78/24/04/626782404.db2.gz	ZIEHLYOSRPPVJO-KTAJNNJTSA-N	-1	0	284.286	3.362	20	30		CGEDRM
C[C@H]1C[C@@H]1CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000758360022	626837855	/nfs/dbraw/zinc/83/78/55/626837855.db2.gz	TZJYAOBOHYIWKS-JGVFFNPUSA-N	-1	0	252.701	3.092	20	30		CGEDRM
Cn1ccc(CC/N=C/c2cc(Cl)cc(Cl)c2[O-])n1	ZINC000761014989	627009032	/nfs/dbraw/zinc/00/90/32/627009032.db2.gz	IPZHIIJEHIGZHD-LZYBPNLTSA-N	-1	0	298.173	3.094	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C\c2ccc3c(c2)ncn3C)c1	ZINC000761205003	627024999	/nfs/dbraw/zinc/02/49/99/627024999.db2.gz	JUNCOMCQXOQPLQ-YVMONPNESA-N	-1	0	292.338	3.483	20	30		CGEDRM
CCCOc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763367907	627154399	/nfs/dbraw/zinc/15/43/99/627154399.db2.gz	IUHLYTZWGUNTKK-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccc(F)cc2Cl)nc1	ZINC000763368943	627154400	/nfs/dbraw/zinc/15/44/00/627154400.db2.gz	CKRMBYHPDCREGN-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
CCC(Cc1ccccc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372296	627154852	/nfs/dbraw/zinc/15/48/52/627154852.db2.gz	VRSZRFBWROWNOR-UHFFFAOYSA-N	-1	0	283.331	3.200	20	30		CGEDRM
Cc1cccc2c1[C@@H](C)CC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000766716100	627354833	/nfs/dbraw/zinc/35/48/33/627354833.db2.gz	PYMZNVZMHZROOX-NSHDSACASA-N	-1	0	295.342	3.412	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@@H](c3ccccc3)[C@H]2C)n1	ZINC000767745130	627434284	/nfs/dbraw/zinc/43/42/84/627434284.db2.gz	YJKFZYKIHPKQAD-DGCLKSJQSA-N	-1	0	282.347	3.082	20	30		CGEDRM
CC[C@H]1C[C@H](C)CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000769589019	627567906	/nfs/dbraw/zinc/56/79/06/627567906.db2.gz	JEZANIDVLCWSGC-MNOVXSKESA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(=NNc1cccc2ncccc21)c1ccc(C(=O)[O-])o1	ZINC000773034492	627845357	/nfs/dbraw/zinc/84/53/57/627845357.db2.gz	MACMJCOTDZNVOK-UHFFFAOYSA-N	-1	0	295.298	3.362	20	30		CGEDRM
N#CCOc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000773142559	627861699	/nfs/dbraw/zinc/86/16/99/627861699.db2.gz	BRHWNBMBJUDKQB-SNAWJCMRSA-N	-1	0	285.324	3.252	20	30		CGEDRM
CN(C(=O)c1cccc(Cl)c1[O-])c1cccc(C#N)c1	ZINC000775671394	628123047	/nfs/dbraw/zinc/12/30/47/628123047.db2.gz	FFSPJMUSPTZVRH-UHFFFAOYSA-N	-1	0	286.718	3.194	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(F)c1F	ZINC000776256987	628185127	/nfs/dbraw/zinc/18/51/27/628185127.db2.gz	ITKHHLJAIOEFNQ-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@](C)(c3ccccc3)C2)n1	ZINC000780187150	628460074	/nfs/dbraw/zinc/46/00/74/628460074.db2.gz	SEZOSVXGKGLPSJ-KRWDZBQOSA-N	-1	0	296.374	3.400	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC(c3cccc(F)c3)C2)nc1	ZINC000781596263	628576611	/nfs/dbraw/zinc/57/66/11/628576611.db2.gz	APXIEURWIIKIBQ-UHFFFAOYSA-N	-1	0	299.305	3.264	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/Oc3ccc(F)cc3C2=O)c1	ZINC000782199987	628624272	/nfs/dbraw/zinc/62/42/72/628624272.db2.gz	KFSPTZNQORTVRH-LFYBBSHMSA-N	-1	0	290.271	3.202	20	30		CGEDRM
CCC(CC)NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783845191	628750629	/nfs/dbraw/zinc/75/06/29/628750629.db2.gz	BMUXYUMMSIGDNL-UHFFFAOYSA-N	-1	0	268.744	3.150	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1csc(Cl)c1	ZINC000787161409	628996272	/nfs/dbraw/zinc/99/62/72/628996272.db2.gz	BINZWYYYUUINIO-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccc(F)cn1	ZINC000788430524	629051206	/nfs/dbraw/zinc/05/12/06/629051206.db2.gz	WYRODRANUAXHET-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
CC[C@@H](C)NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000790182638	629189880	/nfs/dbraw/zinc/18/98/80/629189880.db2.gz	FMDAGTHICVEGOP-SSDOTTSWSA-N	-1	0	261.152	3.421	20	30		CGEDRM
CCCCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000862358514	629350839	/nfs/dbraw/zinc/35/08/39/629350839.db2.gz	LBRHFGVKYVODSC-UHFFFAOYSA-N	-1	0	280.324	3.001	20	30		CGEDRM
CC[C@@H](NN=Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000793059179	629406274	/nfs/dbraw/zinc/40/62/74/629406274.db2.gz	ZGXJJDIXDKJAMN-MRXNPFEDSA-N	-1	0	282.343	3.140	20	30		CGEDRM
CCCCCC1=CCCC1=NN[C@@H](CC)C(=O)[O-]	ZINC000793072878	629408017	/nfs/dbraw/zinc/40/80/17/629408017.db2.gz	QSAWEBBBKXCJMQ-LBPRGKRZSA-N	-1	0	252.358	3.096	20	30		CGEDRM
CC[C@H](NN=C(C)c1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000793071705	629408146	/nfs/dbraw/zinc/40/81/46/629408146.db2.gz	GJNCKOIEWOEXPK-JTQLQIEISA-N	-1	0	289.162	3.170	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@H](CC(C)C)C1)C(=O)[O-]	ZINC000793071309	629408168	/nfs/dbraw/zinc/40/81/68/629408168.db2.gz	HRXXXIIJFJVXLF-YPMHNXCESA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@@H](NN=C(C)CCc1ccc(Cl)s1)C(=O)[O-]	ZINC000793082319	629409667	/nfs/dbraw/zinc/40/96/67/629409667.db2.gz	VKJZDGZPYXEDHW-SNVBAGLBSA-N	-1	0	288.800	3.163	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1	ZINC000864156586	629787315	/nfs/dbraw/zinc/78/73/15/629787315.db2.gz	PYVWYBXSMHQLBQ-CYBMUJFWSA-N	-1	0	287.359	3.122	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc([C@H](C)CC)c1	ZINC000864583276	629871250	/nfs/dbraw/zinc/87/12/50/629871250.db2.gz	PBEPXDUHSYQJRZ-GFCCVEGCSA-N	-1	0	290.363	3.305	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H](c3cccnc3)C2)n1	ZINC000799866124	630235996	/nfs/dbraw/zinc/23/59/96/630235996.db2.gz	UVNYBQQKEDGDGP-LBPRGKRZSA-N	-1	0	297.362	3.011	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCCF)nc1	ZINC000800814938	630301878	/nfs/dbraw/zinc/30/18/78/630301878.db2.gz	FKUUDNXITNQJNM-JTQLQIEISA-N	-1	0	279.315	3.098	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000806558886	630567000	/nfs/dbraw/zinc/56/70/00/630567000.db2.gz	OLLLLUNSHFMFJG-YFHOEESVSA-N	-1	0	282.295	3.290	20	30		CGEDRM
C#CCC(CC#C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000807184212	630584755	/nfs/dbraw/zinc/58/47/55/630584755.db2.gz	WAGMISVYEWBUOH-UHFFFAOYSA-N	-1	0	296.153	3.300	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC3(CCCC3)CC2)n1	ZINC000811628543	631094056	/nfs/dbraw/zinc/09/40/56/631094056.db2.gz	AOQNBOUQBJNXDJ-UHFFFAOYSA-N	-1	0	274.368	3.393	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C/C(=O)c1cc(O)ccc1[O-]	ZINC000811694005	631110936	/nfs/dbraw/zinc/11/09/36/631110936.db2.gz	RMLMIIRUFKVMRD-GQCTYLIASA-N	-1	0	283.258	3.005	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](Sc1ccccc1)C(C)C	ZINC000837046974	634847934	/nfs/dbraw/zinc/84/79/34/634847934.db2.gz	SYBREOBRQHKGCI-ZDUSSCGKSA-N	-1	0	265.378	3.037	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C(F)F)CCCC2)c1	ZINC000813500735	631430152	/nfs/dbraw/zinc/43/01/52/631430152.db2.gz	KGZYMCSGEBYRJE-UHFFFAOYSA-N	-1	0	280.274	3.028	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCC2)n1	ZINC000842677544	631447488	/nfs/dbraw/zinc/44/74/88/631447488.db2.gz	CZQQBMWRUGUNGW-NNNHXZLVSA-N	-1	0	260.362	3.374	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NOCc1ccccc1	ZINC000814791418	631640005	/nfs/dbraw/zinc/64/00/05/631640005.db2.gz	GVPNVRWTIXARJJ-AAEUAGOBSA-N	-1	0	261.321	3.080	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCCCc1ccccc1	ZINC000814837684	631652769	/nfs/dbraw/zinc/65/27/69/631652769.db2.gz	HDAWSIXBYJWDPG-DZGCQCFKSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(Cl)nc2)CC[C@@H]1CC(=O)[O-]	ZINC000814858988	631656624	/nfs/dbraw/zinc/65/66/24/631656624.db2.gz	KWDBWOTXGJNQDZ-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
O=C([O-])C1CCC(=NNCc2cccc(Cl)c2)CC1	ZINC000814869795	631660012	/nfs/dbraw/zinc/66/00/12/631660012.db2.gz	DLZDNZGGUBZJAY-UHFFFAOYSA-N	-1	0	280.755	3.060	20	30		CGEDRM
C[C@H]1C(=NOCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814880258	631663064	/nfs/dbraw/zinc/66/30/64/631663064.db2.gz	YCWSMBWIOOXSQZ-JGVFFNPUSA-N	-1	0	281.274	3.078	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccnc(F)c2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814902666	631672268	/nfs/dbraw/zinc/67/22/68/631672268.db2.gz	SJKOPMWTZGITHB-KOLCDFICSA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NOC1CCCCC1	ZINC000814909340	631676844	/nfs/dbraw/zinc/67/68/44/631676844.db2.gz	HUBCNXBCYWDYCJ-GHMZBOCLSA-N	-1	0	253.342	3.213	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=N[C@@H]1CCCCC1(C)C	ZINC000814916703	631680105	/nfs/dbraw/zinc/68/01/05/631680105.db2.gz	CSBCDRUQLZKPMU-MBNYWOFBSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1CC(=NN[C@H]2CCCC2(C)C)CC[C@@H]1C(=O)[O-]	ZINC000814916812	631680283	/nfs/dbraw/zinc/68/02/83/631680283.db2.gz	FKZXDNMDYURVGK-WXHSDQCUSA-N	-1	0	266.385	3.032	20	30		CGEDRM
COc1cc(F)ccc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814916861	631680299	/nfs/dbraw/zinc/68/02/99/631680299.db2.gz	XONANERTYJOWJP-NXEZZACHSA-N	-1	0	294.326	3.123	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000814923572	631683704	/nfs/dbraw/zinc/68/37/04/631683704.db2.gz	KEEFHKAKLJZTLV-VXGBXAGGSA-N	-1	0	291.347	3.089	20	30		CGEDRM
CC(=NNc1cccc(Cl)n1)c1csc(C(=O)[O-])c1	ZINC000814939103	631692570	/nfs/dbraw/zinc/69/25/70/631692570.db2.gz	FENDFZXLEWCGES-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
C[C@@H]1CC(N=Nc2cccc(Cl)n2)CC[C@H]1C(=O)[O-]	ZINC000814939636	631693896	/nfs/dbraw/zinc/69/38/96/631693896.db2.gz	XRYOPCQGITUASF-PSASIEDQSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OC[C@@H](C)CC)c1ccccc1	ZINC000816978929	632068210	/nfs/dbraw/zinc/06/82/10/632068210.db2.gz	DORMYDDHHJKQTL-ZFWWWQNUSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F	ZINC000818992999	632361455	/nfs/dbraw/zinc/36/14/55/632361455.db2.gz	VZFIVHYYJSATKN-GKFIVFHNSA-N	-1	0	296.632	3.324	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1cccnc1)C1CCCCC1	ZINC000869153874	633410008	/nfs/dbraw/zinc/41/00/08/633410008.db2.gz	HUHSNWHKERWTAY-MRXNPFEDSA-N	-1	0	288.391	3.369	20	30		CGEDRM
CC1=CC[C@@](C)(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870691649	633627318	/nfs/dbraw/zinc/62/73/18/633627318.db2.gz	SLWFDAOVSQNMFR-MRXNPFEDSA-N	-1	0	270.332	3.105	20	30		CGEDRM
Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)O2	ZINC000832905350	634104454	/nfs/dbraw/zinc/10/44/54/634104454.db2.gz	DLPAMQBNPSGOEE-VGOFMYFVSA-N	-1	0	284.267	3.211	20	30		CGEDRM
CCC(CC1CCCCC1)N=Nc1nnc(C)c(=O)[n-]1	ZINC000872331378	634111069	/nfs/dbraw/zinc/11/10/69/634111069.db2.gz	GDNDTTBNLQJIKK-UHFFFAOYSA-N	-1	0	277.372	3.034	20	30		CGEDRM
O=C([O-])c1ccc(N=NCC2CCCCCC2)cn1	ZINC000835006557	634311754	/nfs/dbraw/zinc/31/17/54/634311754.db2.gz	GQNDQQKWNGKGOA-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCF)c(F)c1	ZINC000835008808	634313184	/nfs/dbraw/zinc/31/31/84/634313184.db2.gz	ORMAXUJJDJJRMC-SECBINFHSA-N	-1	0	282.290	3.452	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)[O-])c1)C2	ZINC000126457235	635023669	/nfs/dbraw/zinc/02/36/69/635023669.db2.gz	BPOAFXWQONUKKN-ZSOIEALJSA-N	-1	0	294.306	3.216	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)o1	ZINC000126461624	635024858	/nfs/dbraw/zinc/02/48/58/635024858.db2.gz	MLMODSKLIPBDIK-SOFGYWHQSA-N	-1	0	270.284	3.436	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1C[C@H]1C	ZINC000841640318	635206051	/nfs/dbraw/zinc/20/60/51/635206051.db2.gz	FBCHONNNRBTQPQ-KCJUWKMLSA-N	-1	0	264.300	3.358	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1	ZINC000842522438	635390177	/nfs/dbraw/zinc/39/01/77/635390177.db2.gz	JTZZRPQWMULYCM-DYEKYZERSA-N	-1	0	270.332	3.385	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2C[C@H]3C=C[C@@H]2CC3)c1	ZINC000842522852	635390428	/nfs/dbraw/zinc/39/04/28/635390428.db2.gz	RAFAWBJYSSEBMS-WDEREUQCSA-N	-1	0	256.305	3.139	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc(C2CC2)cs1	ZINC000842941692	635522020	/nfs/dbraw/zinc/52/20/20/635522020.db2.gz	SQFXZUCNQUFJBK-ZTYXWKCZSA-N	-1	0	258.346	3.163	20	30		CGEDRM
CCC1(CN=Nc2cccc(C(=O)[O-])c2C)CCOCC1	ZINC000844622984	635944827	/nfs/dbraw/zinc/94/48/27/635944827.db2.gz	GKMMMVXPVHMSOO-UHFFFAOYSA-N	-1	0	290.363	3.298	20	30		CGEDRM
Cc1c(N=NC(C)[C@@]2(C)CCCO2)cccc1C(=O)[O-]	ZINC000844623712	635945523	/nfs/dbraw/zinc/94/55/23/635945523.db2.gz	QORVVMWWSIKEIE-OAHLLOKOSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc(C)cc1C	ZINC000846540935	636196072	/nfs/dbraw/zinc/19/60/72/636196072.db2.gz	BYPBCGNDAPKGJW-GFCCVEGCSA-N	-1	0	265.378	3.018	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccccc1[C@@H](C)CC	ZINC000846544600	636197123	/nfs/dbraw/zinc/19/71/23/636197123.db2.gz	REVRQHRHGJEWQH-QWHCGFSZSA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](Sc1ccccc1)C(C)C	ZINC000846547409	636198869	/nfs/dbraw/zinc/19/88/69/636198869.db2.gz	ACIBZCYMEVWNPW-GXTWGEPZSA-N	-1	0	279.405	3.426	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](OC1CCCC1)c1ccccc1	ZINC000846550282	636200401	/nfs/dbraw/zinc/20/04/01/636200401.db2.gz	MBWOVYILIRUDKV-CZUORRHYSA-N	-1	0	289.375	3.309	20	30		CGEDRM
CC1C=C(N=Nc2ccc(CC(=O)[O-])cc2)CCC1	ZINC000848414827	636571633	/nfs/dbraw/zinc/57/16/33/636571633.db2.gz	DXTVDTSOEMUAEL-UHFFFAOYSA-N	-1	0	258.321	3.212	20	30		CGEDRM
C=CCCC(N=Nc1ccc(CC(=O)[O-])cc1)C1CC1	ZINC000848414866	636571868	/nfs/dbraw/zinc/57/18/68/636571868.db2.gz	FIFVNNKTXSIXFV-UHFFFAOYSA-N	-1	0	272.348	3.458	20	30		CGEDRM
C[C@@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848415509	636571979	/nfs/dbraw/zinc/57/19/79/636571979.db2.gz	MXIWRPOMCGACTB-LLVKDONJSA-N	-1	0	260.337	3.292	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCF	ZINC000850738337	637136679	/nfs/dbraw/zinc/13/66/79/637136679.db2.gz	ATUNJJOPAOKUMF-LBPRGKRZSA-N	-1	0	286.306	3.118	20	30		CGEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000853252765	637794730	/nfs/dbraw/zinc/79/47/30/637794730.db2.gz	UDNAMMVTXLIALG-OAHLLOKOSA-N	-1	0	290.363	3.378	20	30		CGEDRM
CC[C@@H](NN=Cc1cccc(C2CCCC2)c1)C(=O)[O-]	ZINC000853348194	637819787	/nfs/dbraw/zinc/81/97/87/637819787.db2.gz	COAZVJPUIRUXCZ-OAHLLOKOSA-N	-1	0	274.364	3.131	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000853379129	637827445	/nfs/dbraw/zinc/82/74/45/637827445.db2.gz	GIWCFRTVYYDLCP-SNVBAGLBSA-N	-1	0	280.755	3.247	20	30		CGEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2cccs2)c1	ZINC000113006435	638144537	/nfs/dbraw/zinc/14/45/37/638144537.db2.gz	KYACTBGAMHCIQY-VOTSOKGWSA-N	-1	0	288.324	3.108	20	30		CGEDRM
C=CCCO[N-]C(=O)COc1ccccc1[C@@H](C)CC	ZINC000856029227	638285844	/nfs/dbraw/zinc/28/58/44/638285844.db2.gz	DZKUETYHCOPEKR-ZDUSSCGKSA-N	-1	0	277.364	3.203	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	ZINC000856034177	638288306	/nfs/dbraw/zinc/28/83/06/638288306.db2.gz	BFFVRJRTMMVYGJ-NSHDSACASA-N	-1	0	291.244	3.340	20	30		CGEDRM
CCCCCCCCCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000116580801	639091999	/nfs/dbraw/zinc/09/19/99/639091999.db2.gz	CKWYSZOUXODPTB-UONOGXRCSA-N	-1	0	283.412	3.497	20	30		CGEDRM
O=C(/C=C/c1cc(F)ccc1F)c1ccc(O)cc1[O-]	ZINC000156632430	639980858	/nfs/dbraw/zinc/98/08/58/639980858.db2.gz	LJWIOGSOSNURTF-LZCJLJQNSA-N	-1	0	276.238	3.272	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000076762873	640214585	/nfs/dbraw/zinc/21/45/85/640214585.db2.gz	DXYSEUAJSROOCY-SNVBAGLBSA-N	-1	0	287.356	3.048	20	30		CGEDRM
COCc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000193148079	640435423	/nfs/dbraw/zinc/43/54/23/640435423.db2.gz	LZTBWOSUHJMKBW-AATRIKPKSA-N	-1	0	274.341	3.496	20	30		CGEDRM
CN(C)c1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000193148614	640435885	/nfs/dbraw/zinc/43/58/85/640435885.db2.gz	VNVRYCJBZOYWFX-VMPITWQZSA-N	-1	0	273.357	3.416	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000080298842	640464742	/nfs/dbraw/zinc/46/47/42/640464742.db2.gz	MTWKXIOPRUUHON-QMMMGPOBSA-N	-1	0	289.784	3.340	20	30		CGEDRM
N#Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ccc1F	ZINC001250636061	805740454	/nfs/dbraw/zinc/74/04/54/805740454.db2.gz	RDYVUFDKMSNDNN-UHFFFAOYSA-N	-1	0	281.286	3.481	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001211657414	814927573	/nfs/dbraw/zinc/92/75/73/814927573.db2.gz	MPGHMLXHNNTWFP-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccsc2C#N)c1	ZINC001254710753	806486562	/nfs/dbraw/zinc/48/65/62/806486562.db2.gz	CCFAEOKIIYAUKN-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(F)c1	ZINC000176402949	799096450	/nfs/dbraw/zinc/09/64/50/799096450.db2.gz	ILGUCCNOXULKCK-JTQLQIEISA-N	-1	0	284.290	3.145	20	30		CGEDRM
Cc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1	ZINC000213723502	799134313	/nfs/dbraw/zinc/13/43/13/799134313.db2.gz	MODJDEZXGFXDST-HJWRWDBZSA-N	-1	0	296.322	3.355	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1cc(C)ccc1Cl)C(=O)[O-]	ZINC000316080722	799239435	/nfs/dbraw/zinc/23/94/35/799239435.db2.gz	OGNDDJXKWQZIPR-LLVKDONJSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000316161746	799240599	/nfs/dbraw/zinc/24/05/99/799240599.db2.gz	VGTIVOULMIZBMI-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1ccc(CCC)cc1)C(=O)[O-]	ZINC000316246390	799241244	/nfs/dbraw/zinc/24/12/44/799241244.db2.gz	FAQMEADHTAEYBP-AWEZNQCLSA-N	-1	0	290.363	3.180	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(C(=O)[O-])c1)C2	ZINC000809154334	800413930	/nfs/dbraw/zinc/41/39/30/800413930.db2.gz	SDXWFCKFEGLLSD-QPEQYQDCSA-N	-1	0	294.306	3.221	20	30		CGEDRM
CC[C@@H](C(=O)Nc1ccc(C#N)cc1O)c1ccccc1	ZINC001182132705	810094654	/nfs/dbraw/zinc/09/46/54/810094654.db2.gz	JZUZGUOGIZJTAI-CQSZACIVSA-N	-1	0	280.327	3.396	20	30		CGEDRM
Cc1ncc(CO)c(/C=N\[C@@H]2CCCc3ccccc32)c1O	ZINC001120771792	802775759	/nfs/dbraw/zinc/77/57/59/802775759.db2.gz	FIRUGMTXCKDWDX-GTNUZRKBSA-N	-1	0	296.370	3.084	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(CCC(=O)[O-])cc2)c1	ZINC001244190736	803235399	/nfs/dbraw/zinc/23/53/99/803235399.db2.gz	JFMQJVKEILNKAD-UHFFFAOYSA-N	-1	0	276.295	3.114	20	30		CGEDRM
N#Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)c(Cl)c1	ZINC001244328846	803307741	/nfs/dbraw/zinc/30/77/41/803307741.db2.gz	KZDIXVUGUGRZJT-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
COc1ccc(-c2ccc(Cl)cc2[O-])nc1CC#N	ZINC001244468699	803384601	/nfs/dbraw/zinc/38/46/01/803384601.db2.gz	QNFVMWGDXJROOE-UHFFFAOYSA-N	-1	0	274.707	3.182	20	30		CGEDRM
N#Cc1ccc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)nn1	ZINC001244511810	803413041	/nfs/dbraw/zinc/41/30/41/803413041.db2.gz	VZFILDHWZLLZJU-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
Cc1ccc(-c2c(F)c([O-])ccc2Cl)nc1C#N	ZINC001244537862	803424969	/nfs/dbraw/zinc/42/49/69/803424969.db2.gz	GVZYKNKWOZYNLI-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1c(Cl)ccc([O-])c1F	ZINC001244537825	803425917	/nfs/dbraw/zinc/42/59/17/803425917.db2.gz	FWRDTEFFYKAZQC-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cc(-c2cc(C(=O)[O-])cnc2F)cc(C)c1C#N	ZINC001244761914	803523224	/nfs/dbraw/zinc/52/32/24/803523224.db2.gz	VFHKCSBRUFLTTF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
C=CC1CCN(C(=O)c2ccc(Cl)c([O-])c2)CC1	ZINC001136784574	803652402	/nfs/dbraw/zinc/65/24/02/803652402.db2.gz	XJILIYPMORZJMU-UHFFFAOYSA-N	-1	0	265.740	3.084	20	30		CGEDRM
N#CCc1c(F)cccc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245323441	803700261	/nfs/dbraw/zinc/70/02/61/803700261.db2.gz	XJCZMELWNREFLE-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245372711	803718210	/nfs/dbraw/zinc/71/82/10/803718210.db2.gz	NNIWDVYMBDOIQM-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1cc([O-])c(F)c(F)c1F	ZINC001245637440	803875204	/nfs/dbraw/zinc/87/52/04/803875204.db2.gz	ZVSGNOWEGIDYHK-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1ccc(-c2cc(Cl)c([O-])cc2F)c(C#N)n1	ZINC001245671658	803900133	/nfs/dbraw/zinc/90/01/33/803900133.db2.gz	KKMWDRAQLYXVII-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(Cc2ccccc2)cc1=O	ZINC001245925748	804052908	/nfs/dbraw/zinc/05/29/08/804052908.db2.gz	PUNGMFXFNUGQOH-UHFFFAOYSA-N	-1	0	275.311	3.040	20	30		CGEDRM
C=CCn1[n-]c(-c2ccc(Cl)nc2Cl)cc1=O	ZINC001245932274	804060025	/nfs/dbraw/zinc/06/00/25/804060025.db2.gz	FNEJIMHYWJMZNP-UHFFFAOYSA-N	-1	0	270.119	3.144	20	30		CGEDRM
COc1ccccc1-n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245934033	804064295	/nfs/dbraw/zinc/06/42/95/804064295.db2.gz	YGXPTSKWIFNEGK-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
COc1ccc(-n2[n-]c(-c3ccc(C#N)cc3)cc2=O)cc1	ZINC001245936734	804067490	/nfs/dbraw/zinc/06/74/90/804067490.db2.gz	FEBJDGOPYSHOIR-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
N#Cc1cc(Nc2cc3cccnc3[nH]2)c([O-])cc1F	ZINC001248724614	804977829	/nfs/dbraw/zinc/97/78/29/804977829.db2.gz	IDWCLAMRAPGEIP-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212513359	815045012	/nfs/dbraw/zinc/04/50/12/815045012.db2.gz	MWQRUIPJVJICDM-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1ccsc1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001147113584	805110718	/nfs/dbraw/zinc/11/07/18/805110718.db2.gz	PHDGFUOJYLRUSP-UHFFFAOYSA-N	-1	0	276.292	3.025	20	30		CGEDRM
Cn1cc(C(=O)Nc2ccc(O)c(C#N)c2)c2ccccc21	ZINC001148189407	805165627	/nfs/dbraw/zinc/16/56/27/805165627.db2.gz	GHEDGQHVJUZBFE-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
Cc1c(N)c(F)ccc1Nc1scc([O-])c1C#N	ZINC001249634405	805194727	/nfs/dbraw/zinc/19/47/27/805194727.db2.gz	SWXYGWQVDAYSAX-UHFFFAOYSA-N	-1	0	263.297	3.099	20	30		CGEDRM
Cc1cnc(Nc2cc([O-])c(F)c(F)c2F)c(C#N)c1	ZINC001249960767	805326591	/nfs/dbraw/zinc/32/65/91/805326591.db2.gz	SVGASFFDGTVLAR-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cc([O-])c(F)c(F)c2F)c1	ZINC001249960408	805327498	/nfs/dbraw/zinc/32/74/98/805327498.db2.gz	GHNVVICVUBCFKW-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
N#Cc1ccnc(Nc2cc(Cl)c([O-])cc2F)c1	ZINC001250018649	805370759	/nfs/dbraw/zinc/37/07/59/805370759.db2.gz	SKQNZOAHLBZYPJ-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C#N)s1	ZINC001260684212	807699123	/nfs/dbraw/zinc/69/91/23/807699123.db2.gz	HNNHWDHLAKCHJB-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC[C@@H](C)S(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N	ZINC001260743784	807704518	/nfs/dbraw/zinc/70/45/18/807704518.db2.gz	RBRAESAMMYPAPC-SECBINFHSA-N	-1	0	286.784	3.060	20	30		CGEDRM
N#CC1CCC(=Nc2nc(Br)ccc2[O-])CC1	ZINC001212854238	815159570	/nfs/dbraw/zinc/15/95/70/815159570.db2.gz	AQIZGPNFDMTYNT-MRVPVSSYSA-N	-1	0	294.152	3.169	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2cccc(F)n2)o1	ZINC001263378799	807949264	/nfs/dbraw/zinc/94/92/64/807949264.db2.gz	RUKIXZITJRSZQK-QMMMGPOBSA-N	-1	0	276.292	3.026	20	30		CGEDRM
Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccc(C(F)F)o1	ZINC001263615728	807977654	/nfs/dbraw/zinc/97/76/54/807977654.db2.gz	DPYAXOMVEDNQAZ-ZCFIWIBFSA-N	-1	0	299.664	3.094	20	30		CGEDRM
COc1cc(F)ccc1Nc1scc([O-])c1C#N	ZINC001174129419	808879892	/nfs/dbraw/zinc/87/98/92/808879892.db2.gz	PPUFJBKNTZRJTP-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
N#Cc1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1[O-]	ZINC001275605557	808951988	/nfs/dbraw/zinc/95/19/88/808951988.db2.gz	VJSJIQKVOGPZLH-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
CC(C)(O)c1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001174408843	809001622	/nfs/dbraw/zinc/00/16/22/809001622.db2.gz	DVGDKHUBQMOQSU-UHFFFAOYSA-N	-1	0	286.306	3.374	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1C#N	ZINC001174677903	809126951	/nfs/dbraw/zinc/12/69/51/809126951.db2.gz	UNHLLFSVIXABBK-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])c(OC)c2)ccc1F	ZINC001174685511	809130330	/nfs/dbraw/zinc/13/03/30/809130330.db2.gz	QOGMDOQYUMGYAC-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
Cc1csc(Nc2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001174948755	809211161	/nfs/dbraw/zinc/21/11/61/809211161.db2.gz	BRRSKSCZHRRNOI-UHFFFAOYSA-N	-1	0	272.329	3.299	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174954945	809214685	/nfs/dbraw/zinc/21/46/85/809214685.db2.gz	VCCLHDLZAVEQBL-UHFFFAOYSA-N	-1	0	266.300	3.123	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174956180	809215070	/nfs/dbraw/zinc/21/50/70/809215070.db2.gz	JWTYPGIYDJDUAO-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(F)cc1C#N	ZINC001174984365	809226514	/nfs/dbraw/zinc/22/65/14/809226514.db2.gz	LZVKJLZUEWUKNQ-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175159781	809292313	/nfs/dbraw/zinc/29/23/13/809292313.db2.gz	ITUJCQJECOLQMD-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001175161184	809292982	/nfs/dbraw/zinc/29/29/82/809292982.db2.gz	ANIZGVSYGGRBER-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175162429	809294565	/nfs/dbraw/zinc/29/45/65/809294565.db2.gz	ZMAMQKULCDYUGH-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175319761	809354054	/nfs/dbraw/zinc/35/40/54/809354054.db2.gz	DLCOPKKUZFZGHK-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175329182	809357360	/nfs/dbraw/zinc/35/73/60/809357360.db2.gz	KFTWBRXFCRDUNX-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cnc2cccnc2c1	ZINC001175354637	809375536	/nfs/dbraw/zinc/37/55/36/809375536.db2.gz	BSEOFSLHRZWZDR-UHFFFAOYSA-N	-1	0	268.301	3.012	20	30		CGEDRM
COc1cc(Nc2cc(F)cc(C#N)c2)cc(C(=O)[O-])c1	ZINC001213591315	815307383	/nfs/dbraw/zinc/30/73/83/815307383.db2.gz	WOFSVRZBVJLINA-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1csc(C(=O)[O-])c1	ZINC001176439175	809698425	/nfs/dbraw/zinc/69/84/25/809698425.db2.gz	NYEFVVFDPJRRNZ-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cnc(Nc2ccc(CCC(=O)[O-])cc2)c(C#N)c1	ZINC001213625467	815312981	/nfs/dbraw/zinc/31/29/81/815312981.db2.gz	BQDHVBDSRPAPOE-UHFFFAOYSA-N	-1	0	281.315	3.023	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595700	809727259	/nfs/dbraw/zinc/72/72/59/809727259.db2.gz	OSOJAMILXURYCW-FPYGCLRLSA-N	-1	0	280.283	3.105	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176663359	809737402	/nfs/dbraw/zinc/73/74/02/809737402.db2.gz	GTFAXVOXCHTRBU-UHFFFAOYSA-N	-1	0	296.252	3.202	20	30		CGEDRM
N#Cc1cnc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)c1	ZINC001176663815	809738201	/nfs/dbraw/zinc/73/82/01/809738201.db2.gz	MMSLWEGSXFTUOC-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176672978	809740990	/nfs/dbraw/zinc/74/09/90/809740990.db2.gz	ONUKXGJJULXOMV-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#Cc1cc(Nc2ccc3cc[nH]c(=O)c3c2)c([O-])cc1F	ZINC001213962903	815352235	/nfs/dbraw/zinc/35/22/35/815352235.db2.gz	FYDIMMAYICXJFZ-UHFFFAOYSA-N	-1	0	295.273	3.400	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cnc(C)c(C)n1	ZINC001187994624	810439791	/nfs/dbraw/zinc/43/97/91/810439791.db2.gz	PNDUVYREERRUOJ-UHFFFAOYSA-N	-1	0	299.440	3.196	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1conc1C	ZINC001187994563	810439918	/nfs/dbraw/zinc/43/99/18/810439918.db2.gz	MEXKIOCLXOSDOK-UHFFFAOYSA-N	-1	0	274.386	3.085	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cc(C)cnc1C#N	ZINC001214270795	815392543	/nfs/dbraw/zinc/39/25/43/815392543.db2.gz	PEFJDQBCLVBZQE-UHFFFAOYSA-N	-1	0	297.314	3.102	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(O)c(C#N)c1	ZINC001214276525	815393247	/nfs/dbraw/zinc/39/32/47/815393247.db2.gz	KIUVGEPSZGWRIH-UHFFFAOYSA-N	-1	0	298.298	3.104	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2c(F)ccc(F)c2[O-])s1	ZINC001192694725	810816434	/nfs/dbraw/zinc/81/64/34/810816434.db2.gz	LJDBXGROYVBYFB-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(C#N)c2)c2ccccc21	ZINC001193515593	810902197	/nfs/dbraw/zinc/90/21/97/810902197.db2.gz	PDNWWOGXQDMZMN-BDJLRTHQSA-N	-1	0	292.338	3.242	20	30		CGEDRM
C=CCN(C(=O)c1ccc(C#N)cc1[O-])C1CCCCC1	ZINC001195750723	811286512	/nfs/dbraw/zinc/28/65/12/811286512.db2.gz	JUVGWVYQQACLFK-UHFFFAOYSA-N	-1	0	284.359	3.225	20	30		CGEDRM
N#Cc1ccnc(Nc2ccc(Cl)c([O-])c2F)c1	ZINC001214791383	815453294	/nfs/dbraw/zinc/45/32/94/815453294.db2.gz	UMLNOZVWCIYYRY-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc3c(c2)CCC3)c([O-])cc1F	ZINC001198774720	811541640	/nfs/dbraw/zinc/54/16/40/811541640.db2.gz	FNIZWSGTNNGKPR-UHFFFAOYSA-N	-1	0	296.301	3.144	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=S)Nc2ccccc2)c1	ZINC001200838739	811752536	/nfs/dbraw/zinc/75/25/36/811752536.db2.gz	IMSBRIIMWWXPQP-UHFFFAOYSA-N	-1	0	269.329	3.073	20	30		CGEDRM
N#Cc1cc(Nc2cc(C(=O)[O-])cnc2F)ccc1Cl	ZINC001215130199	815486851	/nfs/dbraw/zinc/48/68/51/815486851.db2.gz	NKWLPMBRMVNZIU-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1cc(C)c(Nc2cc(C(=O)[O-])cnc2F)cc1C#N	ZINC001215135865	815487671	/nfs/dbraw/zinc/48/76/71/815487671.db2.gz	RIKRWSLLFGWSJK-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
N#Cc1ccsc1Nc1ccsc1C(=O)[O-]	ZINC001215383834	815514410	/nfs/dbraw/zinc/51/44/10/815514410.db2.gz	QYXXUKDFRAHIBW-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
CCc1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC001202940698	812206056	/nfs/dbraw/zinc/20/60/56/812206056.db2.gz	UVBOWMAVYOAGFI-UHFFFAOYSA-N	-1	0	281.315	3.470	20	30		CGEDRM
COc1cc(C#N)c(F)cc1Nc1ccsc1C(=O)[O-]	ZINC001215397446	815516533	/nfs/dbraw/zinc/51/65/33/815516533.db2.gz	GDCLVKUSOHBKKN-UHFFFAOYSA-N	-1	0	292.291	3.209	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccsc1C(=O)[O-]	ZINC001215395632	815516608	/nfs/dbraw/zinc/51/66/08/815516608.db2.gz	ORANZEWXQRMKOD-UHFFFAOYSA-N	-1	0	283.312	3.242	20	30		CGEDRM
Cc1cc(Nc2ccsc2C(=O)[O-])ccc1C#N	ZINC001215395903	815516680	/nfs/dbraw/zinc/51/66/80/815516680.db2.gz	UAWGZCTUYVDJQD-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001203292080	812294962	/nfs/dbraw/zinc/29/49/62/812294962.db2.gz	BAYDGUFOJBYTHK-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1F	ZINC001203324610	812312396	/nfs/dbraw/zinc/31/23/96/812312396.db2.gz	NKKQOEXLPBDRKP-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C#Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001203329499	812314355	/nfs/dbraw/zinc/31/43/55/812314355.db2.gz	FGGBCCYULPCYMA-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1F	ZINC001204088269	812547459	/nfs/dbraw/zinc/54/74/59/812547459.db2.gz	ZRONHNWBWSHLQG-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
COc1ccc(-c2csc(C(=O)[O-])c2)cc1CC#N	ZINC001206279284	813270461	/nfs/dbraw/zinc/27/04/61/813270461.db2.gz	QBGBUWVLOUKUBL-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2csc(C(=O)[O-])c2)cn1	ZINC001206284214	813271161	/nfs/dbraw/zinc/27/11/61/813271161.db2.gz	YMYMWEGBTZRQOW-UHFFFAOYSA-N	-1	0	272.329	3.309	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209887437	814188404	/nfs/dbraw/zinc/18/84/04/814188404.db2.gz	ZHPCGEGFFGNUDU-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1cccc(Nc2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001209890605	814190345	/nfs/dbraw/zinc/19/03/45/814190345.db2.gz	QVTNHMILUOZYBS-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2cc(F)cc(C(=O)[O-])c2)ccc1C#N	ZINC001209890223	814190398	/nfs/dbraw/zinc/19/03/98/814190398.db2.gz	FHAKSRWSJXEOPJ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001209893498	814192154	/nfs/dbraw/zinc/19/21/54/814192154.db2.gz	JJAHPUSDJKNJMA-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
Cc1cnc(Nc2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1	ZINC001210006432	814239266	/nfs/dbraw/zinc/23/92/66/814239266.db2.gz	BBLMQUODPTWVLC-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
N#Cc1cncc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1	ZINC001210083201	814279441	/nfs/dbraw/zinc/27/94/41/814279441.db2.gz	HNXJJGLMXSAHPY-UHFFFAOYSA-N	-1	0	299.092	3.243	20	30		CGEDRM
N#Cc1sccc1Nc1cccc(C(=O)[O-])c1F	ZINC001210240078	814359236	/nfs/dbraw/zinc/35/92/36/814359236.db2.gz	UAHBQBALCJJEQN-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1cccc(Nc2cccc(C(=O)[O-])c2F)c1C#N	ZINC001210241764	814361845	/nfs/dbraw/zinc/36/18/45/814361845.db2.gz	VCSFIWRCUWAYAJ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CC(C)(O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001210619632	814560497	/nfs/dbraw/zinc/56/04/97/814560497.db2.gz	HYMYJQGPHFLGBZ-UHFFFAOYSA-N	-1	0	286.306	3.374	20	30		CGEDRM
CC(C)(C)c1noc(Nc2ccccc2C(=O)[O-])c1C#N	ZINC001210965905	814694285	/nfs/dbraw/zinc/69/42/85/814694285.db2.gz	DNYZJNRFFRWLLH-UHFFFAOYSA-N	-1	0	285.303	3.286	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2cccc([O-])c2Cl)c1	ZINC001242800370	823136536	/nfs/dbraw/zinc/13/65/36/823136536.db2.gz	HEUOFLVJDJOODP-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc(F)c([O-])cc2F)c1	ZINC001211352701	814884351	/nfs/dbraw/zinc/88/43/51/814884351.db2.gz	NXWPSARCBNOKHF-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
Cc1coc(Nc2cc(C)cc(C(=O)[O-])c2)c1C#N	ZINC001211542618	814903507	/nfs/dbraw/zinc/90/35/07/814903507.db2.gz	LWLWEQKUQMJVPW-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
C#CCOc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1	ZINC001211547378	814906025	/nfs/dbraw/zinc/90/60/25/814906025.db2.gz	NLJDTXYEOYREIA-UHFFFAOYSA-N	-1	0	281.311	3.449	20	30		CGEDRM
COc1c(F)cc(F)cc1-c1ccccc1C=N[O-]	ZINC001242811447	823141775	/nfs/dbraw/zinc/14/17/75/823141775.db2.gz	VUNMOUCJCCFDLK-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
CCc1cc(Nc2scc([O-])c2C#N)ccc1N	ZINC001216036574	815666189	/nfs/dbraw/zinc/66/61/89/815666189.db2.gz	VTSYFCHFNVHYQL-UHFFFAOYSA-N	-1	0	259.334	3.214	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cc(C)c(C(=O)[O-])c(C)c2)c1	ZINC001216310030	815775908	/nfs/dbraw/zinc/77/59/08/815775908.db2.gz	QNQCNHIHALOCGO-UHFFFAOYSA-N	-1	0	281.315	3.320	20	30		CGEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])c(Cl)cn1	ZINC001216387479	815807707	/nfs/dbraw/zinc/80/77/07/815807707.db2.gz	NKRLTZIWGPAZCN-UHFFFAOYSA-N	-1	0	293.685	3.204	20	30		CGEDRM
CO/N=C/c1cc(-c2ccccc2C(=O)[O-])cc(F)c1F	ZINC001242882146	823163403	/nfs/dbraw/zinc/16/34/03/823163403.db2.gz	VYRGQNOEMDACSH-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
CC#Cc1cncc(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222412864	816438499	/nfs/dbraw/zinc/43/84/99/816438499.db2.gz	UHWPTLZZGZHXOC-UHFFFAOYSA-N	-1	0	273.238	3.096	20	30		CGEDRM
O/N=C(\OC[C@@H]1CCCCO1)c1ccc(Cl)cc1	ZINC001223592697	816653893	/nfs/dbraw/zinc/65/38/93/816653893.db2.gz	CTVIVQMXWNCDSN-AHAXBBEGSA-N	-1	0	269.728	3.062	20	30		CGEDRM
C[C@@H](O/C(=N\O)c1cc(F)ccc1F)C1=CC=C[CH]1	ZINC001223889793	816697676	/nfs/dbraw/zinc/69/76/76/816697676.db2.gz	JUPQUOHEYCQYKJ-OZEFSGHTSA-N	-1	0	264.251	3.206	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H](C)C2CCC2)c1	ZINC001223892219	816699227	/nfs/dbraw/zinc/69/92/27/816699227.db2.gz	DDVJYNCNJSECIQ-GLTXTHCDSA-N	-1	0	279.336	3.045	20	30		CGEDRM
CCCCCCCC[C@H](C)OCC[P@@](=O)([O-])O	ZINC001224600928	816832119	/nfs/dbraw/zinc/83/21/19/816832119.db2.gz	BWMWTFXAMGSKMN-LBPRGKRZSA-N	-1	0	266.318	3.320	20	30		CGEDRM
C=CC[C@@H](OCCc1ccc(S(=O)(=O)[O-])cc1)C(C)C	ZINC001224902741	816906594	/nfs/dbraw/zinc/90/65/94/816906594.db2.gz	KYLRJWWAHAFKEB-OAHLLOKOSA-N	-1	0	298.404	3.093	20	30		CGEDRM
C=CCC[C@H](CC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225493221	817073834	/nfs/dbraw/zinc/07/38/34/817073834.db2.gz	CDIRJSMKBNXEOY-NSHDSACASA-N	-1	0	251.282	3.424	20	30		CGEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225494711	817074434	/nfs/dbraw/zinc/07/44/34/817074434.db2.gz	VNOTZUAGEWZHDF-LBPRGKRZSA-N	-1	0	275.304	3.283	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(C)cc(=O)[n-]2)C1	ZINC001226156570	817287984	/nfs/dbraw/zinc/28/79/84/817287984.db2.gz	PAALLFIPTPCXOI-STQMWFEESA-N	-1	0	260.337	3.170	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)COc2ccccc2C)c1C#N	ZINC001226223154	817301485	/nfs/dbraw/zinc/30/14/85/817301485.db2.gz	LIPWGBUFRYSQNA-ZDUSSCGKSA-N	-1	0	298.342	3.122	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccc(N(C)C)c2)c1C#N	ZINC001226222735	817301676	/nfs/dbraw/zinc/30/16/76/817301676.db2.gz	GWVHZSFXEOUSHM-LBPRGKRZSA-N	-1	0	297.358	3.173	20	30		CGEDRM
Cc1cccc(OC[C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c1	ZINC001226224072	817303616	/nfs/dbraw/zinc/30/36/16/817303616.db2.gz	ZSYBOLLBXWAWDC-ZDUSSCGKSA-N	-1	0	298.342	3.122	20	30		CGEDRM
O/N=C/c1ccnc(O[C@H]2Cc3cccc4cccc2c34)n1	ZINC001226253139	817312450	/nfs/dbraw/zinc/31/24/50/817312450.db2.gz	FGVAWXWRLKGOAH-RPJLVFAOSA-N	-1	0	291.310	3.114	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1n[n-]c(=O)cc1Br	ZINC001226848581	817483432	/nfs/dbraw/zinc/48/34/32/817483432.db2.gz	FZUIJFSPSCKLTA-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
C=CCC(CC=C)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227116674	817563209	/nfs/dbraw/zinc/56/32/09/817563209.db2.gz	NTJSFKRGXHCXTE-UHFFFAOYSA-N	-1	0	254.717	3.044	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cc3cc[nH]c3nc2C#N)c1	ZINC001243178107	823275465	/nfs/dbraw/zinc/27/54/65/823275465.db2.gz	NURFESPRNSKOHY-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)nc2ncsc21)C(=C)C	ZINC001227610250	817681584	/nfs/dbraw/zinc/68/15/84/817681584.db2.gz	KBKAFZLDMHLJBI-VIFPVBQESA-N	-1	0	277.349	3.082	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(=C)C	ZINC001231261350	818066001	/nfs/dbraw/zinc/06/60/01/818066001.db2.gz	ATQKGPBOCYPOKC-GFCCVEGCSA-N	-1	0	278.308	3.294	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231259959	818066049	/nfs/dbraw/zinc/06/60/49/818066049.db2.gz	QNVLYIYSUZWBKZ-JTQLQIEISA-N	-1	0	266.297	3.127	20	30		CGEDRM
N#Cc1c(F)cncc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243326929	823349638	/nfs/dbraw/zinc/34/96/38/823349638.db2.gz	ZLEJVDQUWGJVEZ-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C#N	ZINC001233915625	818730582	/nfs/dbraw/zinc/73/05/82/818730582.db2.gz	RMRGIPBPDSGHPL-CKYFFXLPSA-N	-1	0	260.337	3.171	20	30		CGEDRM
COc1cccc2c1[C@@H](Oc1ccccc1C=N[O-])CCO2	ZINC001234820306	818927020	/nfs/dbraw/zinc/92/70/20/818927020.db2.gz	UWAOTPADGVHOPD-INIZCTEOSA-N	-1	0	299.326	3.406	20	30		CGEDRM
C=CC[C@H](C=C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822860	818927036	/nfs/dbraw/zinc/92/70/36/818927036.db2.gz	ZBQSIKQPZMSMEL-LBPRGKRZSA-N	-1	0	272.300	3.317	20	30		CGEDRM
CC(=O)O/N=C(/C)c1ccccc1O[C@H](C)C1=CC=C[CH]1	ZINC001234846436	818932286	/nfs/dbraw/zinc/93/22/86/818932286.db2.gz	MVQQEIKJBKIMPG-FDIDITGRSA-N	-1	0	284.335	3.441	20	30		CGEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F	ZINC001236061849	819295019	/nfs/dbraw/zinc/29/50/19/819295019.db2.gz	KEHMNAKYCMMOLW-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2c(F)ccc(C)c2[O-])n1	ZINC001236389106	819445748	/nfs/dbraw/zinc/44/57/48/819445748.db2.gz	ARKDOLAJIVFJFP-UHFFFAOYSA-N	-1	0	289.335	3.199	20	30		CGEDRM
N#Cc1cc(-c2cccc([O-])c2F)ncc1C(F)(F)F	ZINC001243542125	823436635	/nfs/dbraw/zinc/43/66/35/823436635.db2.gz	LNWWXIDISMKDIK-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
CC1(C#N)CCN(Cc2cc(Cl)c([O-])cc2F)CC1	ZINC001238149684	819942606	/nfs/dbraw/zinc/94/26/06/819942606.db2.gz	MLSBTZUMXPJSIR-UHFFFAOYSA-N	-1	0	282.746	3.310	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(Cl)c([O-])c1	ZINC001243583949	823455624	/nfs/dbraw/zinc/45/56/24/823455624.db2.gz	NOGBLKYBSHZOQD-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc2[nH]cc(C#N)c2c1	ZINC001240735175	821287768	/nfs/dbraw/zinc/28/77/68/821287768.db2.gz	RQYMZFWVYWXWGB-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)cc1F	ZINC001240734797	821288073	/nfs/dbraw/zinc/28/80/73/821288073.db2.gz	IZSSHXVOGQNICJ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)[O-])s2)n1	ZINC001240842699	821363453	/nfs/dbraw/zinc/36/34/53/821363453.db2.gz	LBNQZMAPRYCTIZ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccnc2[nH]cc(C#N)c21	ZINC001241001540	821481033	/nfs/dbraw/zinc/48/10/33/821481033.db2.gz	CWYXOJRXOBDYOJ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3c(F)cc([O-])cc3F)cc12	ZINC001241123058	821579489	/nfs/dbraw/zinc/57/94/89/821579489.db2.gz	SILZWRMPYXOYHT-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
Cc1cccc(-c2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001241185369	821623173	/nfs/dbraw/zinc/62/31/73/821623173.db2.gz	KPKLVQKXAVOJRJ-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241246241	821667936	/nfs/dbraw/zinc/66/79/36/821667936.db2.gz	XXMMNOOTHHHERM-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
COc1ccc(-c2ccc(C3(C#N)CC3)cn2)cc1C(=O)[O-]	ZINC001241855776	822180421	/nfs/dbraw/zinc/18/04/21/822180421.db2.gz	WXWIMMSESXDAJS-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc2[nH]c(C#N)cc2n1	ZINC001242208461	822910830	/nfs/dbraw/zinc/91/08/30/822910830.db2.gz	MCQPBFASJYAAIV-UHFFFAOYSA-N	-1	0	295.273	3.247	20	30		CGEDRM
N#Cc1cnc(-c2ccc(F)cc2[O-])cc1C(F)(F)F	ZINC001242216819	822914127	/nfs/dbraw/zinc/91/41/27/822914127.db2.gz	ZJUCYFRSCMHONZ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1cccc(-c2cccc(CC(=O)[O-])c2)c1C#N	ZINC001242262540	822929839	/nfs/dbraw/zinc/92/98/39/822929839.db2.gz	PNVSUCYZBPSKFM-UHFFFAOYSA-N	-1	0	251.285	3.161	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cccc(CC(=O)[O-])c2)cn1	ZINC001242264046	822930250	/nfs/dbraw/zinc/93/02/50/822930250.db2.gz	UQNMCRGJIMLKOQ-UHFFFAOYSA-N	-1	0	280.327	3.177	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cccc(Cl)c3[O-])ccc12	ZINC001242363943	822967743	/nfs/dbraw/zinc/96/77/43/822967743.db2.gz	NJWHXMYAHSCOMA-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
CCCCCCCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001343132441	936489448	/nfs/dbraw/zinc/48/94/48/936489448.db2.gz	FCKAIAMPIOOUSK-AWEZNQCLSA-N	-1	0	298.427	3.243	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC001346313645	936844885	/nfs/dbraw/zinc/84/48/85/936844885.db2.gz	YQMAIFJQWKNXNC-NSHDSACASA-N	-1	0	261.321	3.170	20	30		CGEDRM
CCc1cccc(C)c1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361834254	937229391	/nfs/dbraw/zinc/22/93/91/937229391.db2.gz	OTXKIEZZRKCWRE-UHFFFAOYSA-N	-1	0	295.342	3.090	20	30		CGEDRM
Cc1cc(F)c(C(=O)Nc2cc(C#N)ccc2[O-])c(F)c1	ZINC001447063572	937366791	/nfs/dbraw/zinc/36/67/91/937366791.db2.gz	MVBXEMUJUCKHJR-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C#CC[C@@H](C)Oc1ccc2c(c1)oc1cc(O)ccc1c2=O	ZINC001229517002	932164400	/nfs/dbraw/zinc/16/44/00/932164400.db2.gz	MLKGJHOUAPIPSC-LLVKDONJSA-N	-1	0	294.306	3.442	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)NCC(C)(C)S	ZINC001249713038	932718024	/nfs/dbraw/zinc/71/80/24/932718024.db2.gz	HKNBEGBWGOHLNL-UHFFFAOYSA-N	-1	0	286.491	3.403	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(Cl)n1	ZINC001250291025	932719968	/nfs/dbraw/zinc/71/99/68/932719968.db2.gz	PTKVPCQBINEAGZ-UHFFFAOYSA-N	-1	0	293.685	3.204	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/C=C(Cl)Cl)c1	ZINC001466537011	937709807	/nfs/dbraw/zinc/70/98/07/937709807.db2.gz	OYEJQTHVMKSJNO-HNQUOIGGSA-N	-1	0	283.114	3.078	20	30		CGEDRM
Cc1cccc(NC(=O)c2[nH]c3ccccc3c2C#N)c1O	ZINC001466539638	937710455	/nfs/dbraw/zinc/71/04/55/937710455.db2.gz	GJCDBTUNACZUNH-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
CCCCC[C@@](C)(CC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001469561827	937740448	/nfs/dbraw/zinc/74/04/48/937740448.db2.gz	ZUXUJDKYOZAESG-OAHLLOKOSA-N	-1	0	287.367	3.088	20	30		CGEDRM
C#C[C@H](C)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1	ZINC001472764382	937782980	/nfs/dbraw/zinc/78/29/80/937782980.db2.gz	GDCRTGZGXGAOGW-ZETCQYMHSA-N	-1	0	282.130	3.477	20	30		CGEDRM
C=CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC001333952478	936077391	/nfs/dbraw/zinc/07/73/91/936077391.db2.gz	FWVHWHBJFHGQHH-LLVKDONJSA-N	-1	0	296.754	3.108	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC001336884569	936225268	/nfs/dbraw/zinc/22/52/68/936225268.db2.gz	VVRJEPUOMPQPLU-LLVKDONJSA-N	-1	0	261.321	3.170	20	30		CGEDRM
Cc1cc(F)c(C#N)c(NCc2ccc(C(=O)[O-])cc2)c1	ZINC001600224121	970778374	/nfs/dbraw/zinc/77/83/74/970778374.db2.gz	RPNWRVAOFJONGH-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(Cl)c1C(=O)[O-]	ZINC000111279148	958421738	/nfs/dbraw/zinc/42/17/38/958421738.db2.gz	QRVRPHPCXHCELL-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
Cc1ccc2ccc(OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2c1	ZINC001594383207	958650505	/nfs/dbraw/zinc/65/05/05/958650505.db2.gz	ROIATOJEYIOALX-QGZVFWFLSA-N	-1	0	297.310	3.058	20	30		CGEDRM
C=CCN(C(=O)Nc1cccc(C(=O)[O-])c1C)C(C)C	ZINC000162368101	959211437	/nfs/dbraw/zinc/21/14/37/959211437.db2.gz	UWOGEBOYJFRIAR-UHFFFAOYSA-N	-1	0	276.336	3.122	20	30		CGEDRM
CC#CCCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC001588927355	960489575	/nfs/dbraw/zinc/48/95/75/960489575.db2.gz	UPPJBPVWBDZPOH-UHFFFAOYSA-N	-1	0	294.376	3.097	20	30		CGEDRM
C=CCCC[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588785495	960491883	/nfs/dbraw/zinc/49/18/83/960491883.db2.gz	HMJYZSRIMBQOIH-SNVBAGLBSA-N	-1	0	280.295	3.426	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001589644994	960505881	/nfs/dbraw/zinc/50/58/81/960505881.db2.gz	HLMXHZSMOQRRGQ-MELADBBJSA-N	-1	0	283.412	3.353	20	30		CGEDRM
C[C@H](CC(=O)[O-])SCCCCC1(C#N)CCC1	ZINC001592422476	960508166	/nfs/dbraw/zinc/50/81/66/960508166.db2.gz	RAGDWUYDNUTOCQ-LLVKDONJSA-N	-1	0	255.383	3.447	20	30		CGEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc(C)c1C#N	ZINC001567073522	961106973	/nfs/dbraw/zinc/10/69/73/961106973.db2.gz	WJYXMWDHXVVETQ-UHFFFAOYSA-N	-1	0	291.310	3.005	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)C1(C(=O)[O-])CC=CC1	ZINC001573328988	962243560	/nfs/dbraw/zinc/24/35/60/962243560.db2.gz	UDRMNYDOZZOWIH-UHFFFAOYSA-N	-1	0	291.391	3.002	20	30		CGEDRM
C=CC1(CC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])CCCCC1	ZINC001573329637	962244213	/nfs/dbraw/zinc/24/42/13/962244213.db2.gz	JOYQFSSRWWCLIW-HIFRSBDPSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC001573330016	962246770	/nfs/dbraw/zinc/24/67/70/962246770.db2.gz	RZKJFIINFWYMET-GXTWGEPZSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)c1cccc(C(C)C)c1	ZINC001588612011	962930117	/nfs/dbraw/zinc/93/01/17/962930117.db2.gz	FNQVFZWBJIEVGZ-UHFFFAOYSA-N	-1	0	275.348	3.194	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2cc(Cl)ccc2[O-])c1	ZINC001585090344	962984801	/nfs/dbraw/zinc/98/48/01/962984801.db2.gz	ZJCOSDKACMWORX-UHFFFAOYSA-N	-1	0	285.730	3.304	20	30		CGEDRM
C=CC[C@H]1CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC001573353224	962998783	/nfs/dbraw/zinc/99/87/83/962998783.db2.gz	SDCPJTIKIVRSKO-STQMWFEESA-N	-1	0	265.740	3.116	20	30		CGEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21	ZINC001573353448	963002653	/nfs/dbraw/zinc/00/26/53/963002653.db2.gz	VVMCXMMXVMHIRS-INIZCTEOSA-N	-1	0	283.327	3.048	20	30		CGEDRM
C=CCCCCCCNC(=O)c1c(C)coc1CC(=O)[O-]	ZINC001573366939	963062910	/nfs/dbraw/zinc/06/29/10/963062910.db2.gz	PZDPNSMAAJMVJD-UHFFFAOYSA-N	-1	0	293.363	3.081	20	30		CGEDRM
C=C[C@@H](SCc1ccc(SC)cc1)C(=O)[O-]	ZINC001588715043	963115114	/nfs/dbraw/zinc/11/51/14/963115114.db2.gz	SMUHRBWJCDBYEQ-LLVKDONJSA-N	-1	0	254.376	3.281	20	30		CGEDRM
C=C[C@H](Sc1ncc(C(C)C)n1C1CC1)C(=O)[O-]	ZINC001588714961	963118241	/nfs/dbraw/zinc/11/82/41/963118241.db2.gz	QJZFSMKMSGXUDD-NSHDSACASA-N	-1	0	266.366	3.073	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC001588450402	963267970	/nfs/dbraw/zinc/26/79/70/963267970.db2.gz	IRANVMAOJOEBDE-CYBMUJFWSA-N	-1	0	298.427	3.025	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)C(CC)(CC)C(=O)[O-]	ZINC001588464462	963276134	/nfs/dbraw/zinc/27/61/34/963276134.db2.gz	RMLRGKFMAWYHDT-UHFFFAOYSA-N	-1	0	295.404	3.154	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC001588562635	963282742	/nfs/dbraw/zinc/28/27/42/963282742.db2.gz	BOKUZZULERGQKU-UHFFFAOYSA-N	-1	0	282.365	3.185	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Oc1cc(C(=O)[O-])ccc1C	ZINC001588534892	963287070	/nfs/dbraw/zinc/28/70/70/963287070.db2.gz	CUJJHAZCOCQHDT-LLVKDONJSA-N	-1	0	262.305	3.201	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001588561689	963288474	/nfs/dbraw/zinc/28/84/74/963288474.db2.gz	WJGOGHPXCPWUAT-UHFFFAOYSA-N	-1	0	282.365	3.103	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(C)cc1	ZINC001588614934	963294508	/nfs/dbraw/zinc/29/45/08/963294508.db2.gz	FBVXTAUSAQGAIM-HNNXBMFYSA-N	-1	0	287.359	3.080	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	ZINC001588612841	963294711	/nfs/dbraw/zinc/29/47/11/963294711.db2.gz	YJUGFDGLNGAOMN-NSHDSACASA-N	-1	0	295.766	3.280	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC001588605635	963295264	/nfs/dbraw/zinc/29/52/64/963295264.db2.gz	LTPBDAZYGJFLJG-QWHCGFSZSA-N	-1	0	273.332	3.159	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC001588673045	963297564	/nfs/dbraw/zinc/29/75/64/963297564.db2.gz	HHKOQSWZDUKQIX-INIZCTEOSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C1CCC(C(=O)N2CCCc3c(C(=O)[O-])cccc32)CC1	ZINC001588644343	963300391	/nfs/dbraw/zinc/30/03/91/963300391.db2.gz	QJPALQHAUFYKBS-UHFFFAOYSA-N	-1	0	299.370	3.410	20	30		CGEDRM
C=C[C@H](CC(=O)OCC1(CC(=O)[O-])CC1)c1ccccc1	ZINC001588690765	963301133	/nfs/dbraw/zinc/30/11/33/963301133.db2.gz	KXXNMSBHAMYFPU-CYBMUJFWSA-N	-1	0	288.343	3.144	20	30		CGEDRM
C=C[C@H](Nc1cc(-c2ccncc2)ccc1C)C(=O)[O-]	ZINC001588702551	963302257	/nfs/dbraw/zinc/30/22/57/963302257.db2.gz	UKSXZOSYTBDGBO-AWEZNQCLSA-N	-1	0	268.316	3.108	20	30		CGEDRM
C=CC[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001588757301	963308636	/nfs/dbraw/zinc/30/86/36/963308636.db2.gz	XMLKWORKEWDNIL-QLFBSQMISA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])s2)CCC1	ZINC001588764929	963309392	/nfs/dbraw/zinc/30/93/92/963309392.db2.gz	LPDLXMBWJJPCDR-UHFFFAOYSA-N	-1	0	265.334	3.131	20	30		CGEDRM
C=CC[C@@H](SC1CCC(F)(F)CC1)C(=O)[O-]	ZINC001588758176	963309683	/nfs/dbraw/zinc/30/96/83/963309683.db2.gz	FDUXYLXCNORKBW-SECBINFHSA-N	-1	0	250.310	3.327	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])s1	ZINC001588778250	963314244	/nfs/dbraw/zinc/31/42/44/963314244.db2.gz	YZSVHQVNZFNLSZ-UHFFFAOYSA-N	-1	0	282.365	3.313	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H](F)CC1CCCCC1)C(=O)[O-]	ZINC001588786968	963316165	/nfs/dbraw/zinc/31/61/65/963316165.db2.gz	SAWDJDDTCXYUHR-KBPBESRZSA-N	-1	0	299.386	3.221	20	30		CGEDRM
C=CCC[C@H](C(=O)OC/C=C(/C)C(=O)[O-])c1ccccc1	ZINC001588776808	963317364	/nfs/dbraw/zinc/31/73/64/963317364.db2.gz	HGBXPMIEOPBZHZ-HVCHUGMYSA-N	-1	0	288.343	3.311	20	30		CGEDRM
C=CCC1(CNC(=O)c2ccsc2C(=O)[O-])CCCC1	ZINC001588767341	963318583	/nfs/dbraw/zinc/31/85/83/963318583.db2.gz	WCFDOPJJMJOBEN-UHFFFAOYSA-N	-1	0	293.388	3.313	20	30		CGEDRM
N#Cc1cc(F)cc(OCc2ccc(C(=O)[O-])s2)c1	ZINC000311427820	963480601	/nfs/dbraw/zinc/48/06/01/963480601.db2.gz	MCFJSLBWYUSOGX-UHFFFAOYSA-N	-1	0	277.276	3.036	20	30		CGEDRM
C=CCCCCCCNC(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000315123614	963858968	/nfs/dbraw/zinc/85/89/68/963858968.db2.gz	QKNDNKHZBYIQCX-INIZCTEOSA-N	-1	0	296.411	3.019	20	30		CGEDRM
CC(C)(C#N)CCCNc1c(F)cc(C(=O)[O-])cc1F	ZINC001589554638	964001775	/nfs/dbraw/zinc/00/17/75/964001775.db2.gz	IAWFGFBLIRQRDD-UHFFFAOYSA-N	-1	0	282.290	3.405	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1	ZINC001589641248	964011188	/nfs/dbraw/zinc/01/11/88/964011188.db2.gz	OGYBVNNJXITWCH-FZMZJTMJSA-N	-1	0	272.348	3.153	20	30		CGEDRM
C#CCCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC001588439763	964030701	/nfs/dbraw/zinc/03/07/01/964030701.db2.gz	HKIPJKVZEKAJBV-UHFFFAOYSA-N	-1	0	287.340	3.342	20	30		CGEDRM
C#CCCCCCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001588441217	964049264	/nfs/dbraw/zinc/04/92/64/964049264.db2.gz	BOAOMZRXMCJORV-UHFFFAOYSA-N	-1	0	291.303	3.256	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000393729446	972632103	/nfs/dbraw/zinc/63/21/03/972632103.db2.gz	CYBRAPILFPQYEB-LLVKDONJSA-N	-1	0	276.336	3.169	20	30		CGEDRM
CCC1CCC(CNc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001595415840	981030348	/nfs/dbraw/zinc/03/03/48/981030348.db2.gz	LUQWILAMZBEDDM-UHFFFAOYSA-N	-1	0	287.363	3.280	20	30		CGEDRM
CCCC[C@H](SCc1ccc(OC)c(C#N)c1)C(=O)[O-]	ZINC001595657850	982066943	/nfs/dbraw/zinc/06/69/43/982066943.db2.gz	UAJHBENHUQPFRJ-AWEZNQCLSA-N	-1	0	293.388	3.443	20	30		CGEDRM
CCCC[C@H](Sc1cc(F)ccc1C#N)C(=O)[O-]	ZINC001595658006	982068329	/nfs/dbraw/zinc/06/83/29/982068329.db2.gz	YRKUUMNKHYSXFZ-NSHDSACASA-N	-1	0	267.325	3.433	20	30		CGEDRM
CC[C@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])c(Cl)c1)OC	ZINC001594883479	982253434	/nfs/dbraw/zinc/25/34/34/982253434.db2.gz	RBMHJWGJWZUVCU-ZANVPECISA-N	-1	0	298.770	3.497	20	30		CGEDRM
CCCCCCCCCN(C)c1cncc(C(=O)[O-])n1	ZINC001595704619	982276924	/nfs/dbraw/zinc/27/69/24/982276924.db2.gz	DHJZUICZXNDKDD-UHFFFAOYSA-N	-1	0	279.384	3.362	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001595705359	982284559	/nfs/dbraw/zinc/28/45/59/982284559.db2.gz	XXBUINXKMOVAFL-LLVKDONJSA-N	-1	0	295.383	3.433	20	30		CGEDRM
CCCCCCN(O)C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001595709195	982291374	/nfs/dbraw/zinc/29/13/74/982291374.db2.gz	VHHHWBWDBJQBHD-UHFFFAOYSA-N	-1	0	299.754	3.450	20	30		CGEDRM
CC[C@@H](C)C[C@H](Nc1ncc(Cl)c(C)c1C#N)C(=O)[O-]	ZINC001594952414	982669461	/nfs/dbraw/zinc/66/94/61/982669461.db2.gz	IJQYULSIUADWQO-PELKAZGASA-N	-1	0	295.770	3.216	20	30		CGEDRM
CCCn1cccc1C=NNc1ccc(F)c(C(=O)[O-])c1	ZINC001596115818	983446003	/nfs/dbraw/zinc/44/60/03/983446003.db2.gz	JJIKPBUXSBYHFH-UHFFFAOYSA-N	-1	0	289.310	3.181	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC001599973233	986044476	/nfs/dbraw/zinc/04/44/76/986044476.db2.gz	MRLUZYQSHXVSCW-SNVBAGLBSA-N	-1	0	299.282	3.076	20	30		CGEDRM
CC[C@H](C#N)C(=O)Nc1cccc2cc(C(=O)[O-])sc21	ZINC001594722060	987208852	/nfs/dbraw/zinc/20/88/52/987208852.db2.gz	HWADOUJVZUGYEQ-MRVPVSSYSA-N	-1	0	288.328	3.088	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cccc(C(=O)[O-])c1Cl	ZINC001594722125	987209374	/nfs/dbraw/zinc/20/93/74/987209374.db2.gz	JFCFOOMTRIXBEW-UHFFFAOYSA-N	-1	0	294.738	3.307	20	30		CGEDRM
COc1ccc2c(c1)CC/C(=C\c1ccoc1C(=O)[O-])C2=O	ZINC001599626720	994159172	/nfs/dbraw/zinc/15/91/72/994159172.db2.gz	LTCKQHVWNKZSED-DHZHZOJOSA-N	-1	0	298.294	3.199	20	30		CGEDRM
C[C@H]1c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])o1	ZINC001594120296	998267309	/nfs/dbraw/zinc/26/73/09/998267309.db2.gz	DFPVRFRCCHGUTR-ITTMYVLYSA-N	-1	0	268.268	3.361	20	30		CGEDRM
COC/C(C)=C\CSCc1cccc(C(=O)[O-])c1C#N	ZINC001599160536	998449596	/nfs/dbraw/zinc/44/95/96/998449596.db2.gz	YFENNISZRONZPH-WDZFZDKYSA-N	-1	0	291.372	3.082	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(NCCC(C)(C)C(=O)[O-])n1	ZINC000591687387	346932766	/nfs/dbraw/zinc/93/27/66/346932766.db2.gz	YJPVLBBFJHEDEI-UHFFFAOYSA-N	-1	0	289.379	3.164	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nc2ccccc2o1	ZINC000041545879	344971900	/nfs/dbraw/zinc/97/19/00/344971900.db2.gz	SCAFFKDVKCLOAN-CYBMUJFWSA-N	-1	0	287.278	3.190	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080458824	345675348	/nfs/dbraw/zinc/67/53/48/345675348.db2.gz	TVYHBIMMMFSFQN-SECBINFHSA-N	-1	0	289.360	3.307	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000183128677	346257429	/nfs/dbraw/zinc/25/74/29/346257429.db2.gz	SYZNIVWJOFOGAU-SNVBAGLBSA-N	-1	0	289.360	3.361	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NC[C@H](C(=O)[O-])C1CCC1	ZINC000595978516	347373237	/nfs/dbraw/zinc/37/32/37/347373237.db2.gz	XDDWJFTZNPQWCE-LBPRGKRZSA-N	-1	0	278.739	3.124	20	30		CGEDRM
N#Cc1cccc(Cl)c1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000595977360	347373537	/nfs/dbraw/zinc/37/35/37/347373537.db2.gz	HXHICTHCZLIQEK-LLVKDONJSA-N	-1	0	278.739	3.124	20	30		CGEDRM
Cc1[n-]n([C@H]2CCCCC2(C)C)c(=O)c1CCC#N	ZINC000601947301	347927750	/nfs/dbraw/zinc/92/77/50/347927750.db2.gz	UJKUUYYXTICKNB-STQMWFEESA-N	-1	0	261.369	3.093	20	30		CGEDRM
CCCCc1[n-]n(Cc2ccc(C#N)cc2)c(=O)c1C	ZINC000601944521	347927877	/nfs/dbraw/zinc/92/78/77/347927877.db2.gz	ICHKTDSBDGWOGY-LBPRGKRZSA-N	-1	0	269.348	3.083	20	30		CGEDRM
CC[C@@H](C)c1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[n-]1	ZINC000601950624	347928570	/nfs/dbraw/zinc/92/85/70/347928570.db2.gz	XAYNNWFKTSTFKH-SECBINFHSA-N	-1	0	275.739	3.350	20	30		CGEDRM
Cc1cccc2c1CCCN2C(=O)c1ccc(C#N)c([O-])c1	ZINC000615478444	348744226	/nfs/dbraw/zinc/74/42/26/348744226.db2.gz	DYTWSRVPOMJUEL-UHFFFAOYSA-N	-1	0	292.338	3.165	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(CC)c1	ZINC000620303333	349353005	/nfs/dbraw/zinc/35/30/05/349353005.db2.gz	NVENFBHPFUQCGV-GASCZTMLSA-N	-1	0	271.360	3.278	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1c([O-])cc(F)cc1F	ZINC000620857945	349429600	/nfs/dbraw/zinc/42/96/00/349429600.db2.gz	PPKUIPOKIMSKCE-UHFFFAOYSA-N	-1	0	269.291	3.145	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000630327040	350823774	/nfs/dbraw/zinc/82/37/74/350823774.db2.gz	VMQJQEIOABBLGX-KBPBESRZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630325062	350823854	/nfs/dbraw/zinc/82/38/54/350823854.db2.gz	GWURIHQBIJVZAK-ZFWWWQNUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cnc2ccccc2c1O	ZINC000633963711	351406536	/nfs/dbraw/zinc/40/65/36/351406536.db2.gz	PZQSIORXVORTQR-UHFFFAOYSA-N	-1	0	298.386	3.250	20	30		CGEDRM
C=CC[C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634899127	351601608	/nfs/dbraw/zinc/60/16/08/351601608.db2.gz	DEYKPSNBIJEBSW-LRDDRELGSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000634940274	351606584	/nfs/dbraw/zinc/60/65/84/351606584.db2.gz	ZMRFFMJLUYXZPQ-CABCVRRESA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000190644046	542256599	/nfs/dbraw/zinc/25/65/99/542256599.db2.gz	CUYNMTYXQBRHRN-UHFFFAOYSA-N	-1	0	295.423	3.472	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1cc(-c2ccccc2)on1	ZINC000427790191	372175292	/nfs/dbraw/zinc/17/52/92/372175292.db2.gz	RNARDZSNFJSFKW-UHFFFAOYSA-N	-1	0	292.360	3.050	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000429353218	372353701	/nfs/dbraw/zinc/35/37/01/372353701.db2.gz	YMYFNJRRJCYHHD-NSHDSACASA-N	-1	0	293.351	3.490	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncs2)s1	ZINC000429567562	372374831	/nfs/dbraw/zinc/37/48/31/372374831.db2.gz	NPCQLLPRSJLYMB-MRVPVSSYSA-N	-1	0	291.401	3.387	20	30		CGEDRM
Cc1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c(O)c1	ZINC000433132352	372581791	/nfs/dbraw/zinc/58/17/91/372581791.db2.gz	XAUISIYHAYQRHN-OAHLLOKOSA-N	-1	0	294.354	3.412	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1cccc(C(C)C)c1)C(=O)[O-]	ZINC000316403030	374334073	/nfs/dbraw/zinc/33/40/73/374334073.db2.gz	WXPWZOUMEYXHTG-CQSZACIVSA-N	-1	0	290.363	3.351	20	30		CGEDRM
CC(C)[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[nH]2)C1	ZINC000329935635	374442907	/nfs/dbraw/zinc/44/29/07/374442907.db2.gz	KMFNHOVKUUETSY-ZJUUUORDSA-N	-1	0	268.382	3.368	20	30		CGEDRM
Cc1cc(CN=c2[n-]nc(C3CCCCC3)o2)ccc1C#N	ZINC000332624352	374583097	/nfs/dbraw/zinc/58/30/97/374583097.db2.gz	FQLZFJNFUNWXSU-UHFFFAOYSA-N	-1	0	296.374	3.331	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1	ZINC000188879468	375286846	/nfs/dbraw/zinc/28/68/46/375286846.db2.gz	XNRMXZHNGNIXGI-HZPDHXFCSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCn1cccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000488098534	375305436	/nfs/dbraw/zinc/30/54/36/375305436.db2.gz	CACXWZJWMNLMPF-LBPRGKRZSA-N	-1	0	291.310	3.305	20	30		CGEDRM
N#Cc1cscc1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000335898557	375523414	/nfs/dbraw/zinc/52/34/14/375523414.db2.gz	OWUWUSIPUVHZJC-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
C=CC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000565035534	377481287	/nfs/dbraw/zinc/48/12/87/377481287.db2.gz	JGESMNZUEFSSOZ-UHFFFAOYSA-N	-1	0	290.319	3.004	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(F)ccc1F	ZINC000341353402	377524964	/nfs/dbraw/zinc/52/49/64/377524964.db2.gz	PRMSCSLPEJOIRO-ORCRQEGFSA-N	-1	0	286.237	3.100	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C(C)C)nc2C)n1	ZINC000568202043	377516150	/nfs/dbraw/zinc/51/61/50/377516150.db2.gz	BIXLQNQODYFITF-LLVKDONJSA-N	-1	0	288.376	3.027	20	30		CGEDRM
CC(=Cc1ccc2occc2c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000349107036	379161634	/nfs/dbraw/zinc/16/16/34/379161634.db2.gz	JHNOGSNSLSZAJP-JXMROGBWSA-N	-1	0	291.310	3.257	20	30		CGEDRM
N#CCCCCN=c1[n-]nc(-c2ccccc2Cl)s1	ZINC000354594145	380498420	/nfs/dbraw/zinc/49/84/20/380498420.db2.gz	DGRKCGAVHLARFJ-UHFFFAOYSA-N	-1	0	292.795	3.386	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nccc3ccccc32)c1C	ZINC000361520116	381784775	/nfs/dbraw/zinc/78/47/75/381784775.db2.gz	RSINABAFHMYMDJ-AWEZNQCLSA-N	-1	0	290.326	3.065	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362130414	381886231	/nfs/dbraw/zinc/88/62/31/381886231.db2.gz	QNIXJPNTSVBQEU-SNVBAGLBSA-N	-1	0	294.232	3.492	20	30		CGEDRM
C=CCC1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCC1	ZINC000361798350	381869533	/nfs/dbraw/zinc/86/95/33/381869533.db2.gz	LPZDMTWVPCHETC-UHFFFAOYSA-N	-1	0	299.399	3.312	20	30		CGEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286629424	392385793	/nfs/dbraw/zinc/38/57/93/392385793.db2.gz	DJBGSEQCMJUGCV-QMMMGPOBSA-N	-1	0	287.718	3.104	20	30		CGEDRM
Cc1cc(C)c2ncc(C#N)c(N(C)CCCC(=O)[O-])c2c1	ZINC000416421170	393310887	/nfs/dbraw/zinc/31/08/87/393310887.db2.gz	AVLSAUZQTUUVPK-UHFFFAOYSA-N	-1	0	297.358	3.024	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-]	ZINC000005277877	170081987	/nfs/dbraw/zinc/08/19/87/170081987.db2.gz	IKXNPABBUOFKCC-JXMROGBWSA-N	-1	0	269.256	3.197	20	30		CGEDRM
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000037453254	173219079	/nfs/dbraw/zinc/21/90/79/173219079.db2.gz	LXBCUDLTBVNYDO-LLVKDONJSA-N	-1	0	286.253	3.098	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)sc1C	ZINC000683689698	543931648	/nfs/dbraw/zinc/93/16/48/543931648.db2.gz	IQQOSNNECQBUBG-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
N#CC(=C([O-])c1ocnc1C1CC1)c1nc2ccccc2o1	ZINC000685143013	544054669	/nfs/dbraw/zinc/05/46/69/544054669.db2.gz	DSJQONALPZADPE-SNVBAGLBSA-N	-1	0	293.282	3.183	20	30		CGEDRM
CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H](C)O	ZINC000331357635	264208202	/nfs/dbraw/zinc/20/82/02/264208202.db2.gz	UFIYLKCDRNUVNL-MUWHJKNJSA-N	-1	0	292.162	3.163	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000561676412	327409898	/nfs/dbraw/zinc/40/98/98/327409898.db2.gz	SHVUBVGUYZQELU-UHFFFAOYSA-N	-1	0	257.692	3.480	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000262975688	330037944	/nfs/dbraw/zinc/03/79/44/330037944.db2.gz	MYWQIWRYYNZANW-ZFWWWQNUSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=CCCS(=O)(=O)[N-]c1ccc(Cl)c2cccnc12	ZINC000533201642	330353226	/nfs/dbraw/zinc/35/32/26/330353226.db2.gz	ZBCXAQGSYWFCMX-UHFFFAOYSA-N	-1	0	296.779	3.206	20	30		CGEDRM
C=CCCC1(C(=O)Nc2ccc(F)c(F)c2[O-])CC1	ZINC000457289655	331218208	/nfs/dbraw/zinc/21/82/08/331218208.db2.gz	IHRUTSMFWYYHBU-UHFFFAOYSA-N	-1	0	267.275	3.355	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)sc2C)n1	ZINC000178700615	333077008	/nfs/dbraw/zinc/07/70/08/333077008.db2.gz	OXFPPKVJIWZYQC-SECBINFHSA-N	-1	0	277.374	3.015	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cscc2C)n1	ZINC000175081317	335172838	/nfs/dbraw/zinc/17/28/38/335172838.db2.gz	NXLQTQNONAKYNI-VIFPVBQESA-N	-1	0	262.359	3.312	20	30		CGEDRM
C=C[C@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000155238083	517341617	/nfs/dbraw/zinc/34/16/17/517341617.db2.gz	BJKHGPCDMHCTRE-LURJTMIESA-N	-1	0	260.120	3.003	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1	ZINC000345975063	527031100	/nfs/dbraw/zinc/03/11/00/527031100.db2.gz	IJMMGTDFCHNFKP-OAHLLOKOSA-N	-1	0	293.407	3.295	20	30		CGEDRM
CCCn1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000358682651	528848725	/nfs/dbraw/zinc/84/87/25/528848725.db2.gz	LYXHBAYTMULTDK-HYXAFXHYSA-N	-1	0	281.315	3.033	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNc1ccc(C)cn1)CCC2	ZINC000727259592	571735808	/nfs/dbraw/zinc/73/58/08/571735808.db2.gz	KQZNZISMRWAYSB-UHFFFAOYSA-N	-1	0	299.330	3.142	20	30		CGEDRM
O=C(/C=C1/COc2ccc(F)cc21)c1ccc([O-])c(F)c1	ZINC000729149644	571879237	/nfs/dbraw/zinc/87/92/37/571879237.db2.gz	FYQTVFRDYULHCU-POHAHGRESA-N	-1	0	288.249	3.329	20	30		CGEDRM
Cc1cc(F)ccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000750909695	572334734	/nfs/dbraw/zinc/33/47/34/572334734.db2.gz	HLTQXRAGDCIVGH-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
COc1cccc(/C=N\[C@@H](CC(=O)[O-])c2ccccc2)c1O	ZINC000738095859	572364758	/nfs/dbraw/zinc/36/47/58/572364758.db2.gz	KKIBTWZLFZQFJL-DZBQEORWSA-N	-1	0	299.326	3.036	20	30		CGEDRM
COCC(CC(C)C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000730721519	572369509	/nfs/dbraw/zinc/36/95/09/572369509.db2.gz	HIDBDXZRRXBWSZ-UHFFFAOYSA-N	-1	0	298.770	3.499	20	30		CGEDRM
C=CCN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C(C)C	ZINC000738490670	572377577	/nfs/dbraw/zinc/37/75/77/572377577.db2.gz	XASXMGUQXWRAKD-UHFFFAOYSA-N	-1	0	295.314	3.344	20	30		CGEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCCc3ccccc32)cc1	ZINC000739105023	572401811	/nfs/dbraw/zinc/40/18/11/572401811.db2.gz	IUKDNOMUCBZEBJ-QGZVFWFLSA-N	-1	0	292.338	3.137	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCc3ccccc32)c1	ZINC000731938542	572439249	/nfs/dbraw/zinc/43/92/49/572439249.db2.gz	UJTYKPZWEOPIOJ-FHNWIRHTSA-N	-1	0	296.326	3.449	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NC1CCC(NC(=O)[O-])CC1	ZINC000740310155	572439622	/nfs/dbraw/zinc/43/96/22/572439622.db2.gz	BNYLKXCDIYTRSZ-UHFFFAOYSA-N	-1	0	293.754	3.202	20	30		CGEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCOC1	ZINC000741837526	572533818	/nfs/dbraw/zinc/53/38/18/572533818.db2.gz	LENXUKOMUSZUTF-SECBINFHSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000733711306	572598829	/nfs/dbraw/zinc/59/88/29/572598829.db2.gz	QQAUGHWHXQZKDK-UHFFFAOYSA-N	-1	0	291.457	3.372	20	30		CGEDRM
C=CCCS[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735416724	572721868	/nfs/dbraw/zinc/72/18/68/572721868.db2.gz	POTJZBXRVRIDTI-SNVBAGLBSA-N	-1	0	260.366	3.237	20	30		CGEDRM
C=CCCS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736107984	572768355	/nfs/dbraw/zinc/76/83/55/572768355.db2.gz	DTNGGOOQVWFRHL-JTQLQIEISA-N	-1	0	281.377	3.210	20	30		CGEDRM
CCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000737204371	572866065	/nfs/dbraw/zinc/86/60/65/572866065.db2.gz	VCOBTIUMBPTYCS-INIZCTEOSA-N	-1	0	296.326	3.195	20	30		CGEDRM
CCc1ccc(CCC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748003247	572957421	/nfs/dbraw/zinc/95/74/21/572957421.db2.gz	BCUSWSCXEMVTMY-UHFFFAOYSA-N	-1	0	294.354	3.398	20	30		CGEDRM
C[C@H](Nc1cccc(CC(=O)[O-])c1)c1cccc(C#N)c1	ZINC000820154780	598198292	/nfs/dbraw/zinc/19/82/92/598198292.db2.gz	YCGZXHAOEBBSSQ-LBPRGKRZSA-N	-1	0	280.327	3.358	20	30		CGEDRM
CC[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000900973821	620822769	/nfs/dbraw/zinc/82/27/69/620822769.db2.gz	IKVSGOLMLIWERF-VIFPVBQESA-N	-1	0	286.253	3.100	20	30		CGEDRM
C=CCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2	ZINC000054399660	599808496	/nfs/dbraw/zinc/80/84/96/599808496.db2.gz	WOHBHSMVTIYDPV-UHFFFAOYSA-N	-1	0	279.361	3.230	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000062827429	599878741	/nfs/dbraw/zinc/87/87/41/599878741.db2.gz	SZPXNYYEAJGPPC-UHFFFAOYSA-N	-1	0	294.376	3.269	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Cc3cc(F)ccc3C2=O)cc1	ZINC000172045038	600566691	/nfs/dbraw/zinc/56/66/91/600566691.db2.gz	OZRPJZBATRQYPZ-QPEQYQDCSA-N	-1	0	282.270	3.346	20	30		CGEDRM
C=CCCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000825664700	601078152	/nfs/dbraw/zinc/07/81/52/601078152.db2.gz	ISMPHUPOHMXSCB-UHFFFAOYSA-N	-1	0	282.365	3.044	20	30		CGEDRM
COc1ccc2c(c1)O/C(=C/c1ccc(C(=O)[O-])cc1)C2=O	ZINC000208910903	601222406	/nfs/dbraw/zinc/22/24/06/601222406.db2.gz	CGRNQIZGGDUULW-OVCLIPMQSA-N	-1	0	296.278	3.010	20	30		CGEDRM
Cc1cc(C(C)(C)C)cc(C)c1CN(CC#N)CC(=O)[O-]	ZINC000832869824	601242305	/nfs/dbraw/zinc/24/23/05/601242305.db2.gz	PPWUZEJWFHVSJD-UHFFFAOYSA-N	-1	0	288.391	3.011	20	30		CGEDRM
N#Cc1nc(Oc2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000833078120	601246367	/nfs/dbraw/zinc/24/63/67/601246367.db2.gz	CXLLZXMIZPLSBN-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cc(C(F)(F)F)ccc2F)c1=O	ZINC000899352330	620648014	/nfs/dbraw/zinc/64/80/14/620648014.db2.gz	FWKIGVYDIKMYHN-SNVBAGLBSA-N	-1	0	298.239	3.207	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)[nH]1	ZINC000833312876	601332342	/nfs/dbraw/zinc/33/23/42/601332342.db2.gz	YXWFIGJBPJVDJY-SOFGYWHQSA-N	-1	0	280.283	3.090	20	30		CGEDRM
CCCCC[C@@H](Nc1cccc(F)c1C#N)C(=O)[O-]	ZINC000829347495	601383191	/nfs/dbraw/zinc/38/31/91/601383191.db2.gz	KEHQOXRCHRXZKV-CYBMUJFWSA-N	-1	0	264.300	3.143	20	30		CGEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000776665770	601738815	/nfs/dbraw/zinc/73/88/15/601738815.db2.gz	HFGBZAWYMVVEAD-HNNXBMFYSA-N	-1	0	295.354	3.428	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832874730	601793077	/nfs/dbraw/zinc/79/30/77/601793077.db2.gz	LODZERZKZQOPRH-ARJAWSKDSA-N	-1	0	269.300	3.226	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000005549224	601825124	/nfs/dbraw/zinc/82/51/24/601825124.db2.gz	NITNVKUWVUVADU-WEVVVXLNSA-N	-1	0	282.295	3.295	20	30		CGEDRM
COc1ccc(C(=O)[O-])c(NCCCC(C)(C)C#N)c1	ZINC000832178728	601909259	/nfs/dbraw/zinc/90/92/59/601909259.db2.gz	KPTUVLSKACPVGI-UHFFFAOYSA-N	-1	0	276.336	3.135	20	30		CGEDRM
O=C([O-])c1occc1/C=C\C(=O)c1cc2c(s1)CCC2	ZINC000833095781	602149769	/nfs/dbraw/zinc/14/97/69/602149769.db2.gz	XYFLOFFQPJAUPW-PLNGDYQASA-N	-1	0	288.324	3.424	20	30		CGEDRM
Cc1oc(COc2cc(Cl)ccc2C#N)cc1C(=O)[O-]	ZINC000128920265	602309930	/nfs/dbraw/zinc/30/99/30/602309930.db2.gz	HJLXFDBOZSDGNL-UHFFFAOYSA-N	-1	0	291.690	3.390	20	30		CGEDRM
C=CCCCOC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823497111	603951890	/nfs/dbraw/zinc/95/18/90/603951890.db2.gz	VSAXWSNTGUUGJJ-UHFFFAOYSA-N	-1	0	263.293	3.208	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(CNc2ccc(C#N)cc2)cc1	ZINC000825402010	604345981	/nfs/dbraw/zinc/34/59/81/604345981.db2.gz	HDJNNMBBXWXMDM-GFCCVEGCSA-N	-1	0	295.342	3.499	20	30		CGEDRM
C[C@@H](Oc1ccc(/C=C/C(=O)c2ccco2)cc1)C(=O)[O-]	ZINC000794702075	604396660	/nfs/dbraw/zinc/39/66/60/604396660.db2.gz	MNYPTZUZRCXNKX-OALRPVAKSA-N	-1	0	286.283	3.028	20	30		CGEDRM
Cc1cc([C@@H](C)OC(=O)c2ccc(C#N)cc2)oc1C(=O)[O-]	ZINC000832877396	604545184	/nfs/dbraw/zinc/54/51/84/604545184.db2.gz	YDMCLWUQJLZOHL-SNVBAGLBSA-N	-1	0	299.282	3.076	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833369586	604583937	/nfs/dbraw/zinc/58/39/37/604583937.db2.gz	APPGGDKRRBCRFU-UHFFFAOYSA-N	-1	0	299.326	3.068	20	30		CGEDRM
C/C=C(/C=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)CC	ZINC000828543383	604619790	/nfs/dbraw/zinc/61/97/90/604619790.db2.gz	SUTWYNDHTIKNQN-PZNFYKMSSA-N	-1	0	299.326	3.140	20	30		CGEDRM
COCc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000831817329	604629579	/nfs/dbraw/zinc/62/95/79/604629579.db2.gz	JFOYHGWVGWIICK-YHYXMXQVSA-N	-1	0	296.322	3.427	20	30		CGEDRM
CC(N=Nc1ccc(Cl)nn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814698189	604633751	/nfs/dbraw/zinc/63/37/51/604633751.db2.gz	UXCKWMCAJUOCMT-SECBINFHSA-N	-1	0	298.774	3.199	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000833072197	604772404	/nfs/dbraw/zinc/77/24/04/604772404.db2.gz	LLXMIENSEYUPKX-BQYQJAHWSA-N	-1	0	295.269	3.292	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1ccccc1NC(=O)[O-]	ZINC000833374114	605076596	/nfs/dbraw/zinc/07/65/96/605076596.db2.gz	RZKYCRLWNUOWHR-NSHDSACASA-N	-1	0	276.336	3.251	20	30		CGEDRM
C=CCOc1ccc(OCc2cc(C(=O)[O-])c(C)o2)cc1	ZINC000833378212	605241349	/nfs/dbraw/zinc/24/13/49/605241349.db2.gz	ZJNJVZLPYHSYKI-UHFFFAOYSA-N	-1	0	288.299	3.430	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000135309260	605393596	/nfs/dbraw/zinc/39/35/96/605393596.db2.gz	XCBHVUDBHLQPCD-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
C#CCOc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000833366742	605521181	/nfs/dbraw/zinc/52/11/81/605521181.db2.gz	HJZKMNDLJCQKCJ-UHFFFAOYSA-N	-1	0	281.311	3.009	20	30		CGEDRM
C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000037306323	605523253	/nfs/dbraw/zinc/52/32/53/605523253.db2.gz	QGCDWELBUXWYRM-LURJTMIESA-N	-1	0	275.251	3.142	20	30		CGEDRM
CCc1onc(C)c1/C=C\C(=O)c1cc(C)c(O)c(O)c1	ZINC000899380744	620688173	/nfs/dbraw/zinc/68/81/73/620688173.db2.gz	JYOLTNPPXUNIPL-WAYWQWQTSA-N	-1	0	287.315	3.161	20	30		CGEDRM
N#Cc1cccc(Nc2ccc3c(c2)CCCN3C(=O)[O-])n1	ZINC000833975793	606062182	/nfs/dbraw/zinc/06/21/82/606062182.db2.gz	GEUOCBXHBCEHRI-UHFFFAOYSA-N	-1	0	294.314	3.127	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058071772	622898323	/nfs/dbraw/zinc/89/83/23/622898323.db2.gz	ASZKPDSXOCGMHY-UHFFFAOYSA-N	-1	0	261.387	3.186	20	30		CGEDRM
CC(=NOC/C=C\Cl)c1cc(F)cc(F)c1[O-]	ZINC000811670290	617707565	/nfs/dbraw/zinc/70/75/65/617707565.db2.gz	OOPDWBNZCCNXQY-HXPSRMRWSA-N	-1	0	261.655	3.164	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	ZINC000042343832	617994532	/nfs/dbraw/zinc/99/45/32/617994532.db2.gz	FQNOTBHZLCFFQM-NEPJUHHUSA-N	-1	0	287.425	3.311	20	30		CGEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1CC=CCC1	ZINC000042318876	620768347	/nfs/dbraw/zinc/76/83/47/620768347.db2.gz	PXKHRLPZIUFJEL-GCZGRYASSA-N	-1	0	291.372	3.300	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)s1	ZINC000042318771	620768404	/nfs/dbraw/zinc/76/84/04/620768404.db2.gz	PQNIZEYQDKOSQA-UHFFFAOYSA-N	-1	0	275.395	3.138	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2ccccc2[O-])c(C(C)(C)C)n1	ZINC000255324155	618201306	/nfs/dbraw/zinc/20/13/06/618201306.db2.gz	BJGKJFOXTSAALT-KTKRTIGZSA-N	-1	0	284.359	3.319	20	30		CGEDRM
COCc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000255331597	618207496	/nfs/dbraw/zinc/20/74/96/618207496.db2.gz	URXBQUUPAKGVDT-KHPPLWFESA-N	-1	0	268.312	3.435	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C\c2cccc(C#N)c2)c1	ZINC000255362586	618220457	/nfs/dbraw/zinc/22/04/57/618220457.db2.gz	PKVWHEVSBKPBGZ-ALCCZGGFSA-N	-1	0	279.295	3.169	20	30		CGEDRM
CCCCCCCC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000113372260	618719559	/nfs/dbraw/zinc/71/95/59/618719559.db2.gz	JTOZRPMIRXNXIR-CYBMUJFWSA-N	-1	0	269.385	3.203	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\Oc3ccccc3C2=O)c1	ZINC000782207870	618740501	/nfs/dbraw/zinc/74/05/01/618740501.db2.gz	UJWCSFFVGSOXTF-SDQBBNPISA-N	-1	0	272.281	3.063	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(Cl)c2)c1	ZINC000176822126	618740634	/nfs/dbraw/zinc/74/06/34/618740634.db2.gz	CWLZJAPYNGVSLN-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2F)c1	ZINC000176832358	618742306	/nfs/dbraw/zinc/74/23/06/618742306.db2.gz	KMIKRVYTVXRVIE-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])ccc1O	ZINC000255588328	618743404	/nfs/dbraw/zinc/74/34/04/618743404.db2.gz	FGJFCPZMJKRCQX-KXFIGUGUSA-N	-1	0	288.274	3.142	20	30		CGEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cccs1	ZINC000255670735	618775491	/nfs/dbraw/zinc/77/54/91/618775491.db2.gz	INDBSFYTJPQMDJ-UTCJRWHESA-N	-1	0	275.285	3.258	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NOCCC1CC1	ZINC000814246141	619418528	/nfs/dbraw/zinc/41/85/28/619418528.db2.gz	UGGFHGUZKFAPRE-UHFFFAOYSA-N	-1	0	257.692	3.335	20	30		CGEDRM
CC[C@@H](NN=C1CC(C)(C)CC(C)(C)C1)C(=O)[O-]	ZINC000793055542	619676506	/nfs/dbraw/zinc/67/65/06/619676506.db2.gz	ACEUFHLNQDXISY-LLVKDONJSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000049135695	619702438	/nfs/dbraw/zinc/70/24/38/619702438.db2.gz	ZFKDLHWSOOERLD-UHFFFAOYSA-N	-1	0	293.747	3.170	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCOC23CCCC3)cc1F	ZINC000901248979	620846161	/nfs/dbraw/zinc/84/61/61/620846161.db2.gz	PVRRWTSWKLMUEH-UHFFFAOYSA-N	-1	0	292.310	3.025	20	30		CGEDRM
C=C(C)COc1cccc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000902219707	621197084	/nfs/dbraw/zinc/19/70/84/621197084.db2.gz	PKOWFUMLYSJMGU-UGFHNGPFSA-N	-1	0	275.348	3.163	20	30		CGEDRM
CCO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000905477246	622076597	/nfs/dbraw/zinc/07/65/97/622076597.db2.gz	ZJSGKKJQJWHXCE-GFCCVEGCSA-N	-1	0	294.326	3.271	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000907583278	622302368	/nfs/dbraw/zinc/30/23/68/622302368.db2.gz	AWFWXWZSGXUIDU-WOSRLPQWSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=CC1(CC(=O)NCc2ccc(C(=O)[O-])o2)CCCCC1	ZINC000907596055	622303717	/nfs/dbraw/zinc/30/37/17/622303717.db2.gz	GOGKDQHMOWFFDK-UHFFFAOYSA-N	-1	0	291.347	3.121	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000909097025	622391592	/nfs/dbraw/zinc/39/15/92/622391592.db2.gz	MGHAMJRPZCSFIT-CLOOOTJHSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910497593	622490620	/nfs/dbraw/zinc/49/06/20/622490620.db2.gz	LSKSMSFATZQGDI-UHFFFAOYSA-N	-1	0	299.370	3.038	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000910963364	622510759	/nfs/dbraw/zinc/51/07/59/622510759.db2.gz	YEMXLUWTWMGQJG-UHFFFAOYSA-N	-1	0	273.332	3.079	20	30		CGEDRM
Cc1ccc2ncc(/C=C/C(=O)c3ccc([O-])c(F)c3)n2c1	ZINC000151424511	622780354	/nfs/dbraw/zinc/78/03/54/622780354.db2.gz	XZVVOVYPDVLTAW-GQCTYLIASA-N	-1	0	296.301	3.384	20	30		CGEDRM
O=C(/C=C/c1c(F)cccc1F)c1ccc(O)cc1[O-]	ZINC000156641862	622831246	/nfs/dbraw/zinc/83/12/46/622831246.db2.gz	QQYFCHYZWMOWIB-VOTSOKGWSA-N	-1	0	276.238	3.272	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(O)cc1[O-]	ZINC000156639873	622831279	/nfs/dbraw/zinc/83/12/79/622831279.db2.gz	YINWASWOZJKTPM-QPJJXVBHSA-N	-1	0	286.331	3.015	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])o1	ZINC000157319052	622898335	/nfs/dbraw/zinc/89/83/35/622898335.db2.gz	RBTFZFVVNODJDP-XVNBXDOJSA-N	-1	0	287.271	3.352	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2cccs2)cc1	ZINC000915106997	623895804	/nfs/dbraw/zinc/89/58/04/623895804.db2.gz	ZQHIQGFQIAHWAE-FPLPWBNLSA-N	-1	0	272.325	3.271	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NOC[C@@H]2CCOC2)cc1Cl	ZINC000788039926	623977616	/nfs/dbraw/zinc/97/76/16/623977616.db2.gz	VIHPELOKVHZQEQ-MRVPVSSYSA-N	-1	0	290.146	3.086	20	30		CGEDRM
CCCCCC(=NNc1nnc(C)c(=O)[n-]1)c1ccccc1	ZINC000916282573	624138627	/nfs/dbraw/zinc/13/86/27/624138627.db2.gz	IPCQVHYEDKBJFU-UHFFFAOYSA-N	-1	0	299.378	3.282	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1	ZINC000033473704	624334823	/nfs/dbraw/zinc/33/48/23/624334823.db2.gz	QSUBTJLDHQGITP-CLTKARDFSA-N	-1	0	296.278	3.010	20	30		CGEDRM
CCCCCCCC(=O)NOCCC(F)(F)F	ZINC000155048901	624416010	/nfs/dbraw/zinc/41/60/10/624416010.db2.gz	ZBPIMSAYRXEFLM-UHFFFAOYSA-N	-1	0	255.280	3.347	20	30		CGEDRM
N#CC1(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CCCCC1	ZINC000920023833	624439159	/nfs/dbraw/zinc/43/91/59/624439159.db2.gz	HADMHMFUZAFYOK-RMKNXTFCSA-N	-1	0	298.342	3.197	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1	ZINC000920439273	624503975	/nfs/dbraw/zinc/50/39/75/624503975.db2.gz	QLRKLUWBHNLFOC-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000070029461	624941073	/nfs/dbraw/zinc/94/10/73/624941073.db2.gz	BXUGMNHBHLGNPS-SNVBAGLBSA-N	-1	0	289.422	3.466	20	30		CGEDRM
Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc(C(=O)[O-])c1	ZINC000923106819	626131369	/nfs/dbraw/zinc/13/13/69/626131369.db2.gz	SQYWUBRKTFSJQD-KRWDZBQOSA-N	-1	0	298.342	3.106	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(F)cc(F)c1	ZINC000755873161	626655672	/nfs/dbraw/zinc/65/56/72/626655672.db2.gz	GKIYBDBCNJMBMG-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000757473656	626781505	/nfs/dbraw/zinc/78/15/05/626781505.db2.gz	NMPZZCSJKDWACZ-WAYWQWQTSA-N	-1	0	285.249	3.438	20	30		CGEDRM
C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc[nH]1	ZINC000760227915	626945895	/nfs/dbraw/zinc/94/58/95/626945895.db2.gz	BWDVZPQFUMDOEJ-XUNMKLQISA-N	-1	0	293.710	3.462	20	30		CGEDRM
Cn1cnc2cc(/C=C/C(=O)c3ccc(F)cc3[O-])ccc21	ZINC000761206188	627025561	/nfs/dbraw/zinc/02/55/61/627025561.db2.gz	RFXGELOHOZMRSO-XVNBXDOJSA-N	-1	0	296.301	3.314	20	30		CGEDRM
Cc1ccc2c(CN=Nc3ccc(C(=O)[O-])cn3)c[nH]c2c1	ZINC000763368984	627154187	/nfs/dbraw/zinc/15/41/87/627154187.db2.gz	RPMWGIHMERFPPW-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCC3(CC3)CC2)c1	ZINC000765971069	627282790	/nfs/dbraw/zinc/28/27/90/627282790.db2.gz	ZDKNYSSFOJNEBR-YBEGLDIGSA-N	-1	0	274.320	3.442	20	30		CGEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC000766425125	627330873	/nfs/dbraw/zinc/33/08/73/627330873.db2.gz	VIDYGWRWWJDLDW-UHFFFAOYSA-N	-1	0	279.299	3.011	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@H](c3ccccc3)[C@H]2C)n1	ZINC000767745134	627434242	/nfs/dbraw/zinc/43/42/42/627434242.db2.gz	YJKFZYKIHPKQAD-YPMHNXCESA-N	-1	0	282.347	3.082	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NO[C@@H]1CCCCO1	ZINC000768367461	627476433	/nfs/dbraw/zinc/47/64/33/627476433.db2.gz	RJIGFOAYGOOTLN-LLVKDONJSA-N	-1	0	273.691	3.062	20	30		CGEDRM
Cn1ccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])n1	ZINC000773154115	627863754	/nfs/dbraw/zinc/86/37/54/627863754.db2.gz	RSMYNKVHEDNOEE-VQHVLOKHSA-N	-1	0	278.311	3.175	20	30		CGEDRM
CCC[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccn1	ZINC000774083442	627943449	/nfs/dbraw/zinc/94/34/49/627943449.db2.gz	WBORPBXEPQCLBJ-CYBMUJFWSA-N	-1	0	295.342	3.181	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Cc3c(cccc3F)C2=O)c1	ZINC000774127948	627948969	/nfs/dbraw/zinc/94/89/69/627948969.db2.gz	YCXUOLCGOCSRMW-WQLSENKSSA-N	-1	0	282.270	3.346	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/CCc3c(O)cccc3C2=O)c1	ZINC000774130669	627949076	/nfs/dbraw/zinc/94/90/76/627949076.db2.gz	MPOUPTIFRVZYRS-XFXZXTDPSA-N	-1	0	294.306	3.303	20	30		CGEDRM
COc1ccsc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000774141946	627951210	/nfs/dbraw/zinc/95/12/10/627951210.db2.gz	OQFPOGQZGUDSTJ-AATRIKPKSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000125177407	634633071	/nfs/dbraw/zinc/63/30/71/634633071.db2.gz	TYOTYOXIQWZBIY-ZDUSSCGKSA-N	-1	0	283.393	3.351	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@]1(C)CCCO1	ZINC000782109892	628616758	/nfs/dbraw/zinc/61/67/58/628616758.db2.gz	BVTDSSJFWPKHRM-CQSZACIVSA-N	-1	0	296.754	3.395	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000782324530	628638507	/nfs/dbraw/zinc/63/85/07/628638507.db2.gz	DCZKSLHNLUYPKE-GORDUTHDSA-N	-1	0	275.254	3.270	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000782346663	628640521	/nfs/dbraw/zinc/64/05/21/628640521.db2.gz	CDPXQHBLPWXIGM-RQOWECAXSA-N	-1	0	293.244	3.409	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000783707208	628741939	/nfs/dbraw/zinc/74/19/39/628741939.db2.gz	NTNWJULSQZIVMY-ARJAWSKDSA-N	-1	0	293.369	3.361	20	30		CGEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])cc(Cl)n1	ZINC000788701503	629074121	/nfs/dbraw/zinc/07/41/21/629074121.db2.gz	FAXUSSKQXFRSIP-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
O=C([O-])[C@@H]1CCC(=NOC2CCCC2)c2ccccc21	ZINC000789036310	629098847	/nfs/dbraw/zinc/09/88/47/629098847.db2.gz	CIIBWCHJTPDPKD-CQSZACIVSA-N	-1	0	273.332	3.312	20	30		CGEDRM
CC1=C[C@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000789636030	629156336	/nfs/dbraw/zinc/15/63/36/629156336.db2.gz	FVZXTAYSCQEGBE-CMPLNLGQSA-N	-1	0	273.336	3.170	20	30		CGEDRM
CCN(C)c1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cn1	ZINC000790222114	629195130	/nfs/dbraw/zinc/19/51/30/629195130.db2.gz	NNVJLYKMQFBLEJ-RMKNXTFCSA-N	-1	0	296.370	3.448	20	30		CGEDRM
CCCC(CCc1ccccc1)=NN[C@@H](CC)C(=O)[O-]	ZINC000793054898	629405608	/nfs/dbraw/zinc/40/56/08/629405608.db2.gz	HWBCVYLARKYBDJ-HNNXBMFYSA-N	-1	0	276.380	3.228	20	30		CGEDRM
CC[C@@H](NN=C(C)c1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000793071277	629408155	/nfs/dbraw/zinc/40/81/55/629408155.db2.gz	HGAILZRCJQEVHC-LLVKDONJSA-N	-1	0	289.162	3.170	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000793081543	629408684	/nfs/dbraw/zinc/40/86/84/629408684.db2.gz	MTQSQXHUXGUPHY-NSHDSACASA-N	-1	0	289.162	3.170	20	30		CGEDRM
COC1CCC(CN=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000863118494	629478411	/nfs/dbraw/zinc/47/84/11/629478411.db2.gz	YXRDNJGBXMMVQQ-UHFFFAOYSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCC(=NOCCSC)c1cc(C(=O)[O-])ccc1F	ZINC000794573114	629557563	/nfs/dbraw/zinc/55/75/63/629557563.db2.gz	RJYOYRHLDDYNET-UHFFFAOYSA-N	-1	0	285.340	3.018	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC2(C(F)(F)F)CC2)c1	ZINC000794675560	629564606	/nfs/dbraw/zinc/56/46/06/629564606.db2.gz	DKXKVIOUHKOIHM-SOFYXZRVSA-N	-1	0	288.225	3.062	20	30		CGEDRM
CC(C)n1nccc1C=CC(=O)c1sccc1[O-]	ZINC000794946635	629604886	/nfs/dbraw/zinc/60/48/86/629604886.db2.gz	WZHHSJOGQVFVNP-ARJAWSKDSA-N	-1	0	262.334	3.127	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H](CC)CCCC)C(=O)[O-]	ZINC000864184949	629796006	/nfs/dbraw/zinc/79/60/06/629796006.db2.gz	ULBRNAUIRAPQKY-NEPJUHHUSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)/C=C\C1CCCCCC1)C(=O)[O-]	ZINC000864187312	629796045	/nfs/dbraw/zinc/79/60/45/629796045.db2.gz	IUAGSCFSXFJNHR-CMUBDUJZSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=C(Br)COC(=O)c1cc([S-])ccc1F	ZINC000798724509	630093933	/nfs/dbraw/zinc/09/39/33/630093933.db2.gz	ABGCLFKMSGHDRY-UHFFFAOYSA-N	-1	0	291.141	3.180	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1ncc(CC)s1	ZINC000799639280	630206596	/nfs/dbraw/zinc/20/65/96/630206596.db2.gz	IKOTUSMLMUBBNU-UHFFFAOYSA-N	-1	0	290.454	3.418	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2sccc2Cl)c1	ZINC000802890856	630424811	/nfs/dbraw/zinc/42/48/11/630424811.db2.gz	JXHXLHNWKSGERN-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=C(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000806551349	630565479	/nfs/dbraw/zinc/56/54/79/630565479.db2.gz	SSQJWBMFNCEZNI-GZTJUZNOSA-N	-1	0	282.299	3.433	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2c[nH]c(C(F)(F)F)c2)c1	ZINC000807943537	630607950	/nfs/dbraw/zinc/60/79/50/630607950.db2.gz	HXOLLJIZEDGBTI-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
CC1(CC(=O)Nc2cc(C#N)ccc2[O-])CCCC1	ZINC000809706462	630787021	/nfs/dbraw/zinc/78/70/21/630787021.db2.gz	ZMCVCLHMSZGUNT-UHFFFAOYSA-N	-1	0	258.321	3.173	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000811694573	631110842	/nfs/dbraw/zinc/11/08/42/631110842.db2.gz	WWLJIWKCDUZVPB-DAXSKMNVSA-N	-1	0	283.258	3.005	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccccc2OC)CCCCC1	ZINC000837049518	634848530	/nfs/dbraw/zinc/84/85/30/634848530.db2.gz	JHOFCVDUIQWUCS-UHFFFAOYSA-N	-1	0	289.375	3.131	20	30		CGEDRM
CC(C)c1scnc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000813500245	631430756	/nfs/dbraw/zinc/43/07/56/631430756.db2.gz	AFGLZKXCVMOAQH-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
CC(Cc1ccc(O)cc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680986	631620602	/nfs/dbraw/zinc/62/06/02/631620602.db2.gz	RFIMEKNIKJIJPO-UHFFFAOYSA-N	-1	0	284.315	3.121	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814693272	631625316	/nfs/dbraw/zinc/62/53/16/631625316.db2.gz	GSOBIBNJXGAAEH-NXEZZACHSA-N	-1	0	264.300	3.114	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1nccnc1Cl	ZINC000814850434	631655078	/nfs/dbraw/zinc/65/50/78/631655078.db2.gz	NLLJDIDTWSIMHV-UHFFFAOYSA-N	-1	0	298.774	3.343	20	30		CGEDRM
C[C@@H]1CC(=NNCc2cccc(Cl)c2)CC[C@@H]1C(=O)[O-]	ZINC000814867557	631659722	/nfs/dbraw/zinc/65/97/22/631659722.db2.gz	JTDTYJZRBUDZRW-YGRLFVJLSA-N	-1	0	294.782	3.306	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NOC1CCCC1	ZINC000814893823	631668464	/nfs/dbraw/zinc/66/84/64/631668464.db2.gz	CSHHYSVFRFVQJF-UHFFFAOYSA-N	-1	0	257.692	3.478	20	30		CGEDRM
CC[C@@H](C)NN=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814913186	631678946	/nfs/dbraw/zinc/67/89/46/631678946.db2.gz	JAWNTGLZQKOYHV-GFCCVEGCSA-N	-1	0	292.379	3.042	20	30		CGEDRM
N#CC(=C([O-])C=C[C@H]1CCCO1)c1nc2ccccc2s1	ZINC000819937680	632540581	/nfs/dbraw/zinc/54/05/81/632540581.db2.gz	UQMYYLFZAHDJSL-IDDPWSFUSA-N	-1	0	298.367	3.208	20	30		CGEDRM
C[C@]1(CC(=O)Nc2cc(C#N)ccc2[O-])CC1(Cl)Cl	ZINC000826603664	633421920	/nfs/dbraw/zinc/42/19/20/633421920.db2.gz	JNEVFYVSEWMVNW-LBPRGKRZSA-N	-1	0	299.157	3.176	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Oc3ccccc3C2=O)c1	ZINC000208911407	633756000	/nfs/dbraw/zinc/75/60/00/633756000.db2.gz	DZKQSDLWCUYWKF-NTEUORMPSA-N	-1	0	266.252	3.001	20	30		CGEDRM
C=CCC1(C=NNc2cnnc([O-])c2Cl)CCCC1	ZINC000872339248	634110909	/nfs/dbraw/zinc/11/09/09/634110909.db2.gz	DTRABGGRGCYUIU-UHFFFAOYSA-N	-1	0	280.759	3.370	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCCOC1	ZINC000872379542	634125865	/nfs/dbraw/zinc/12/58/65/634125865.db2.gz	CBIZIOSTFZTPDW-JTQLQIEISA-N	-1	0	294.326	3.128	20	30		CGEDRM
CCC(=NNC1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)[O-]	ZINC000834981187	634303158	/nfs/dbraw/zinc/30/31/58/634303158.db2.gz	JOMMZOKAPBOUAV-SMDDNHRTSA-N	-1	0	294.782	3.416	20	30		CGEDRM
C[C@H]1CC[C@H](CN=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835007876	634312780	/nfs/dbraw/zinc/31/27/80/634312780.db2.gz	AXORKLRCGBWDEO-UWVGGRQHSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC[C@@H](NN=C1CC[C@@H](c2cccc(Cl)c2)C1)C(=O)[O-]	ZINC000841642490	635205933	/nfs/dbraw/zinc/20/59/33/635205933.db2.gz	SJYVLIHBEMAAOY-BXUZGUMPSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000843267675	635628324	/nfs/dbraw/zinc/62/83/24/635628324.db2.gz	CSPQIYAOXGMWHW-GQCTYLIASA-N	-1	0	288.322	3.280	20	30		CGEDRM
C=C[C@@H](C)ONC(=O)Nc1ncc(C(C)(C)C)s1	ZINC000844548105	635927714	/nfs/dbraw/zinc/92/77/14/635927714.db2.gz	VSYODSXWGYMIFX-MRVPVSSYSA-N	-1	0	269.370	3.068	20	30		CGEDRM
C=CCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845838626	636105457	/nfs/dbraw/zinc/10/54/57/636105457.db2.gz	UDGBYNYRVKBZFL-LBPRGKRZSA-N	-1	0	287.384	3.485	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc(Cl)cc1F	ZINC000846534839	636193978	/nfs/dbraw/zinc/19/39/78/636193978.db2.gz	DPIIIISCYMLRBD-UHFFFAOYSA-N	-1	0	285.746	3.381	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(Cl)c2)CCC1	ZINC000846545587	636198037	/nfs/dbraw/zinc/19/80/37/636198037.db2.gz	XRBHOXVDLCJQAG-NSHDSACASA-N	-1	0	279.767	3.384	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)C1CCCC1)C(C)(C)C	ZINC000086054601	636779535	/nfs/dbraw/zinc/77/95/35/636779535.db2.gz	KAFPNRPKBHKACS-MDZDMXLPSA-N	-1	0	273.398	3.208	20	30		CGEDRM
CC(=NOC1CCC1)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853349339	637820275	/nfs/dbraw/zinc/82/02/75/637820275.db2.gz	YGMCZODQRJJRBG-UHFFFAOYSA-N	-1	0	291.347	3.465	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(Cl)cn2)CC[C@@H]1CC(=O)[O-]	ZINC000853436504	637841245	/nfs/dbraw/zinc/84/12/45/637841245.db2.gz	YFZUVYQKLGOAHJ-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](CC)Oc1ccccc1Cl	ZINC000856032989	638288262	/nfs/dbraw/zinc/28/82/62/638288262.db2.gz	UYPZUSLXKUOZLT-GFCCVEGCSA-N	-1	0	283.755	3.121	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)c1ccc(Cl)s1	ZINC000856032572	638288293	/nfs/dbraw/zinc/28/82/93/638288293.db2.gz	MVAYPONTEQGEIC-MRVPVSSYSA-N	-1	0	259.758	3.129	20	30		CGEDRM
C=C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000932039963	639253751	/nfs/dbraw/zinc/25/37/51/639253751.db2.gz	RYJHEFMVBWWHQS-UHFFFAOYSA-N	-1	0	286.158	3.491	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cc(F)cc(F)c2)CCCC1	ZINC000862132724	639649707	/nfs/dbraw/zinc/64/97/07/639649707.db2.gz	LCFYDCFDYRLLOK-NSHDSACASA-N	-1	0	295.329	3.399	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518328	640057058	/nfs/dbraw/zinc/05/70/58/640057058.db2.gz	KXXXIKHTYORSQB-KHPPLWFESA-N	-1	0	281.377	3.380	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000048853544	640071812	/nfs/dbraw/zinc/07/18/12/640071812.db2.gz	FCQIFZHEYOIGRY-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000076760786	640212644	/nfs/dbraw/zinc/21/26/44/640212644.db2.gz	UAERGGDAOOXPBX-MDZDMXLPSA-N	-1	0	279.361	3.134	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000076905739	640223992	/nfs/dbraw/zinc/22/39/92/640223992.db2.gz	RWWBJLHCZKDODB-NSHDSACASA-N	-1	0	275.414	3.289	20	30		CGEDRM
O=C(/C=C/c1cocn1)c1ccc2ccccc2c1[O-]	ZINC000191318780	640302667	/nfs/dbraw/zinc/30/26/67/640302667.db2.gz	MWVICFZAKNDWLJ-SOFGYWHQSA-N	-1	0	265.268	3.430	20	30		CGEDRM
CC(C)n1cc(C=CC(=O)c2sccc2[O-])cn1	ZINC000193148959	640436467	/nfs/dbraw/zinc/43/64/67/640436467.db2.gz	VBINCRPXWWJJHJ-ONEGZZNKSA-N	-1	0	262.334	3.127	20	30		CGEDRM
CCCCCCCC(=O)NC(C)(C)CCC(=O)[O-]	ZINC000088218497	640615000	/nfs/dbraw/zinc/61/50/00/640615000.db2.gz	XQUINDVKLMOSIL-UHFFFAOYSA-N	-1	0	257.374	3.107	20	30		CGEDRM
C=CCN(CC=C)Cc1cc([O-])c(Cl)c(F)c1F	ZINC001250409097	805600429	/nfs/dbraw/zinc/60/04/29/805600429.db2.gz	RCDYVWDVZOWSEP-UHFFFAOYSA-N	-1	0	273.710	3.498	20	30		CGEDRM
C#C[C@H]1CCCN(Cc2cc([O-])c(Cl)c(F)c2F)C1	ZINC001250410138	805600444	/nfs/dbraw/zinc/60/04/44/805600444.db2.gz	FEUYKPSUPZQPAK-VIFPVBQESA-N	-1	0	285.721	3.169	20	30		CGEDRM
Cc1cc(F)cc2nc(-c3cc(C#N)ccc3[O-])[nH]c21	ZINC001251180178	805858965	/nfs/dbraw/zinc/85/89/65/805858965.db2.gz	HKDLHKOOWJYSJG-UHFFFAOYSA-N	-1	0	267.263	3.255	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3cc4c(cc3[nH]2)CCC4)c1	ZINC001251180325	805859132	/nfs/dbraw/zinc/85/91/32/805859132.db2.gz	OYQNWEUDVKQXJF-UHFFFAOYSA-N	-1	0	275.311	3.296	20	30		CGEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cs1	ZINC001251714777	805924147	/nfs/dbraw/zinc/92/41/47/805924147.db2.gz	FCOGEZXDCGKKNL-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1cc(-n2cc(C#N)c3cc(N)ccc32)ccc1C(=O)[O-]	ZINC001211660699	814928351	/nfs/dbraw/zinc/92/83/51/814928351.db2.gz	HNHFFBMMJZGWHK-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000046928890	798891542	/nfs/dbraw/zinc/89/15/42/798891542.db2.gz	SRBMCZVXESPUJA-UHFFFAOYSA-N	-1	0	295.813	3.483	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C)c1	ZINC000125583932	799002644	/nfs/dbraw/zinc/00/26/44/799002644.db2.gz	CQKKUQMAUYBYAN-OAHLLOKOSA-N	-1	0	286.375	3.014	20	30		CGEDRM
C[C@H](C(=O)[N-]C#N)c1cccc(C(=O)c2ccccc2)c1	ZINC000142702360	799045949	/nfs/dbraw/zinc/04/59/49/799045949.db2.gz	SCRZXZUVNZAFMZ-LBPRGKRZSA-N	-1	0	278.311	3.459	20	30		CGEDRM
CCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000176403354	799096925	/nfs/dbraw/zinc/09/69/25/799096925.db2.gz	MIRIOMKSKAUDIG-UHFFFAOYSA-N	-1	0	272.329	3.140	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2coc3ccccc32)c1	ZINC000176409757	799097030	/nfs/dbraw/zinc/09/70/30/799097030.db2.gz	ZTEMFOBMBMUXLO-UHFFFAOYSA-N	-1	0	278.267	3.262	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)C1CC1	ZINC000176520544	799098214	/nfs/dbraw/zinc/09/82/14/799098214.db2.gz	NXVCVUSTNYJNOJ-YGRLFVJLSA-N	-1	0	294.354	3.414	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000398034962	799525201	/nfs/dbraw/zinc/52/52/01/799525201.db2.gz	MHYNZLJONSTDFG-UONOGXRCSA-N	-1	0	296.411	3.160	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])cc(OC)c1	ZINC000588495753	799701843	/nfs/dbraw/zinc/70/18/43/799701843.db2.gz	MLTLOOUFEGEIFE-ARJAWSKDSA-N	-1	0	290.340	3.367	20	30		CGEDRM
Cc1cccc2c1C/C(=C\c1ccc(O)c(C(=O)[O-])c1)C2=O	ZINC000809154286	800413890	/nfs/dbraw/zinc/41/38/90/800413890.db2.gz	QUXLNQPEMLHREX-KPKJPENVSA-N	-1	0	294.306	3.221	20	30		CGEDRM
CC(C)Cc1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC001122831371	802889027	/nfs/dbraw/zinc/88/90/27/802889027.db2.gz	QDSHSQVMCYCHND-GFCCVEGCSA-N	-1	0	285.372	3.227	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(F)c(CC#N)c2)c1	ZINC001244171441	803221838	/nfs/dbraw/zinc/22/18/38/803221838.db2.gz	KLRYMIFOIPWEPI-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccccc1OCC#N	ZINC001244419820	803360637	/nfs/dbraw/zinc/36/06/37/803360637.db2.gz	CGUKBRZABVWYCO-UHFFFAOYSA-N	-1	0	297.310	3.353	20	30		CGEDRM
Cc1nc(-c2ccc(Cl)cc2[O-])ccc1CC#N	ZINC001244468762	803384077	/nfs/dbraw/zinc/38/40/77/803384077.db2.gz	SPTSECOUPDBIHC-UHFFFAOYSA-N	-1	0	258.708	3.482	20	30		CGEDRM
N#CCOc1ccc(-c2ccc(Cl)cc2[O-])nc1	ZINC001244467939	803384887	/nfs/dbraw/zinc/38/48/87/803384887.db2.gz	JIEFIIYTXHHGAX-UHFFFAOYSA-N	-1	0	260.680	3.010	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(Cl)cc1[O-])CCOC2	ZINC001244469014	803385726	/nfs/dbraw/zinc/38/57/26/803385726.db2.gz	WPJGDXJGKVTUCN-UHFFFAOYSA-N	-1	0	286.718	3.052	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244499299	803404480	/nfs/dbraw/zinc/40/44/80/803404480.db2.gz	AMVZFNZTFPULTM-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCc1cccnc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244501914	803407811	/nfs/dbraw/zinc/40/78/11/803407811.db2.gz	YTEDXDOEYQVEIM-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1cncnc1-c1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC001244513789	803412853	/nfs/dbraw/zinc/41/28/53/803412853.db2.gz	NPILOJDIKPLXCX-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1c(Cl)cccc1-c1cccc(S(=O)(=O)[O-])c1	ZINC001244733706	803515228	/nfs/dbraw/zinc/51/52/28/803515228.db2.gz	GTSKWNRMQDXNPE-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
N#CCc1cncc(-c2ccc(C(=O)[O-])cc2Cl)c1	ZINC001245373408	803718788	/nfs/dbraw/zinc/71/87/88/803718788.db2.gz	TUTQDIKQSLXYJE-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cc([O-])c(F)c(F)c1F	ZINC001245640139	803875805	/nfs/dbraw/zinc/87/58/05/803875805.db2.gz	QEOFWBZXGLXBAF-UHFFFAOYSA-N	-1	0	297.207	3.496	20	30		CGEDRM
N#Cc1cc(-c2c([O-])cccc2F)ncc1C(F)(F)F	ZINC001245655668	803888278	/nfs/dbraw/zinc/88/82/78/803888278.db2.gz	VIPNXBFKPDDLFB-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3cccc(F)c3)cc2=O)cc1	ZINC001245919543	804046681	/nfs/dbraw/zinc/04/66/81/804046681.db2.gz	DPXSOHSMPAZOQC-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3ccccc3Cl)cc2=O)cn1	ZINC001245926847	804054467	/nfs/dbraw/zinc/05/44/67/804054467.db2.gz	GTQBBJPPBKBJRR-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
Cc1ccccc1-n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245937607	804068809	/nfs/dbraw/zinc/06/88/09/804068809.db2.gz	PLASKDLVIDJIQJ-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#CCN(Cc1ccccc1)Cc1c([O-])c(F)ccc1F	ZINC001139685958	804254995	/nfs/dbraw/zinc/25/49/95/804254995.db2.gz	HMZNTDBGDSRVIU-UHFFFAOYSA-N	-1	0	288.297	3.196	20	30		CGEDRM
CCCC(C)(C)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001144122607	804939215	/nfs/dbraw/zinc/93/92/15/804939215.db2.gz	GMQIEOBTDQGAHP-UHFFFAOYSA-N	-1	0	264.300	3.168	20	30		CGEDRM
O=C(/C=C/C(=O)c1ccccc1)Nc1ccccc1[S-]	ZINC001144709209	805035700	/nfs/dbraw/zinc/03/57/00/805035700.db2.gz	YLJPYDUZPFYOER-ZHACJKMWSA-N	-1	0	283.352	3.353	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CCC(S)CC1	ZINC001249697039	805217210	/nfs/dbraw/zinc/21/72/10/805217210.db2.gz	OFAQVNSYHBOXGC-UHFFFAOYSA-N	-1	0	298.502	3.500	20	30		CGEDRM
COc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(C#N)c1	ZINC001249962900	805331497	/nfs/dbraw/zinc/33/14/97/805331497.db2.gz	PEWJRFBPIZABPK-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2cc([O-])c(F)c(F)c2F)c1	ZINC001249963623	805331536	/nfs/dbraw/zinc/33/15/36/805331536.db2.gz	QKAOKAKOBREWKC-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#Cc1cccc(Cc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001250049782	805389727	/nfs/dbraw/zinc/38/97/27/805389727.db2.gz	CJMIBHFRZXDANO-BQYQJAHWSA-N	-1	0	263.296	3.247	20	30		CGEDRM
N#Cc1cccc(Cc2cc([O-])c(F)c(F)c2F)c1	ZINC001250051120	805391100	/nfs/dbraw/zinc/39/11/00/805391100.db2.gz	YALIKGMWIAGHSA-UHFFFAOYSA-N	-1	0	263.218	3.272	20	30		CGEDRM
N#CCCCCc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001250066758	805400926	/nfs/dbraw/zinc/40/09/26/805400926.db2.gz	PYFCTHUBLYHBBR-UHFFFAOYSA-N	-1	0	255.676	3.414	20	30		CGEDRM
N#Cc1cccc(C(=O)Cc2ccc(C(=O)[O-])cc2Cl)c1	ZINC001250289927	805545134	/nfs/dbraw/zinc/54/51/34/805545134.db2.gz	HERSTBJGUPCMJX-UHFFFAOYSA-N	-1	0	299.713	3.335	20	30		CGEDRM
N#Cc1ccccc1CNc1ccccc1/C=C/C(=O)[O-]	ZINC001167636146	807222381	/nfs/dbraw/zinc/22/23/81/807222381.db2.gz	XHCNDBOXINRMET-MDZDMXLPSA-N	-1	0	278.311	3.268	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2sccc2C#N)c(C)c1	ZINC001259096535	807674087	/nfs/dbraw/zinc/67/40/87/807674087.db2.gz	QBXJMVFALVVVGR-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)s2)cc1C	ZINC001259163625	807675195	/nfs/dbraw/zinc/67/51/95/807675195.db2.gz	PWNSTQAWJQSJMW-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC(C)CS(=O)(=O)[N-]c1c(C#N)ccc2ccccc21	ZINC001259883634	807691604	/nfs/dbraw/zinc/69/16/04/807691604.db2.gz	LJGPUZYWBHKHGH-UHFFFAOYSA-N	-1	0	288.372	3.109	20	30		CGEDRM
CC[C@H](C)S(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N	ZINC001260743785	807704601	/nfs/dbraw/zinc/70/46/01/807704601.db2.gz	RBRAESAMMYPAPC-VIFPVBQESA-N	-1	0	286.784	3.060	20	30		CGEDRM
N#CCc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC001272973130	808828921	/nfs/dbraw/zinc/82/89/21/808828921.db2.gz	MAQCEXWUCGLKMG-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
N#Cc1cc(Nc2cccc3n[nH]cc32)c([O-])cc1F	ZINC001174345420	808966969	/nfs/dbraw/zinc/96/69/69/808966969.db2.gz	ZOCXKXOHGJPIHR-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C)cc1C#N	ZINC001174676905	809127104	/nfs/dbraw/zinc/12/71/04/809127104.db2.gz	JZSHBCUNQVBZDP-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(F)c(C#N)c1	ZINC001174982158	809224595	/nfs/dbraw/zinc/22/45/95/809224595.db2.gz	MRUHARSUCBMYDL-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)cc(C#N)c1	ZINC001174981882	809224665	/nfs/dbraw/zinc/22/46/65/809224665.db2.gz	KBHJNSGHZJYDHP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(F)cccc1C#N	ZINC001174982557	809225478	/nfs/dbraw/zinc/22/54/78/809225478.db2.gz	RYGOJMRDJMWZIL-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175155053	809290875	/nfs/dbraw/zinc/29/08/75/809290875.db2.gz	ISROQBIQRUKTDH-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cnc1C#N	ZINC001175314086	809351892	/nfs/dbraw/zinc/35/18/92/809351892.db2.gz	BTDHROIQKDGLGK-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175332834	809359368	/nfs/dbraw/zinc/35/93/68/809359368.db2.gz	XWDKDGCRNATCNG-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1cc(Nc2cncc(C3CC3)c2)c([O-])cc1F	ZINC001176285158	809660608	/nfs/dbraw/zinc/66/06/08/809660608.db2.gz	SZQLRRMVGIOXOG-UHFFFAOYSA-N	-1	0	269.279	3.419	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2csc(C(=O)[O-])c2)c1F	ZINC001176439317	809698315	/nfs/dbraw/zinc/69/83/15/809698315.db2.gz	SEIMQQHCULOEOJ-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1ccsc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176664336	809737946	/nfs/dbraw/zinc/73/79/46/809737946.db2.gz	UTUFMZLYESFMBM-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
Cc1coc(Nc2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001176669281	809738664	/nfs/dbraw/zinc/73/86/64/809738664.db2.gz	GEIOHMPTZLCKAX-UHFFFAOYSA-N	-1	0	268.194	3.326	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176713554	809747454	/nfs/dbraw/zinc/74/74/54/809747454.db2.gz	KJJKLDSCUNVSLS-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])cc2)c1	ZINC001176713809	809747606	/nfs/dbraw/zinc/74/76/06/809747606.db2.gz	RBMAADAADXQWNK-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001176716002	809749405	/nfs/dbraw/zinc/74/94/05/809749405.db2.gz	WUVBRYZBNBNATI-UHFFFAOYSA-N	-1	0	267.284	3.140	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1cnc(C2CC2)s1	ZINC001184241187	810184544	/nfs/dbraw/zinc/18/45/44/810184544.db2.gz	MZSSEXFDVIQKFO-UHFFFAOYSA-N	-1	0	287.364	3.009	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc2[nH]ccc2c1	ZINC001184241435	810185092	/nfs/dbraw/zinc/18/50/92/810185092.db2.gz	NWQMWMHVJBOVOA-UHFFFAOYSA-N	-1	0	279.319	3.156	20	30		CGEDRM
C=Cc1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1	ZINC001184245424	810185245	/nfs/dbraw/zinc/18/52/45/810185245.db2.gz	QJJRVBYUVWPFNP-UHFFFAOYSA-N	-1	0	266.320	3.318	20	30		CGEDRM
N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccsc1	ZINC001185390268	810260855	/nfs/dbraw/zinc/26/08/55/810260855.db2.gz	BOODWNGIWGHZPV-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1cnccc1Nc1cc(Cl)ccc1[S-]	ZINC001214011305	815355803	/nfs/dbraw/zinc/35/58/03/815355803.db2.gz	QFSAGRZFXNVUIF-UHFFFAOYSA-N	-1	0	261.737	3.061	20	30		CGEDRM
Cc1[nH]c(NC(=O)c2cccc([S-])c2)c(C#N)c1C	ZINC001186130133	810316136	/nfs/dbraw/zinc/31/61/36/810316136.db2.gz	DGMCNVSMDODTDG-UHFFFAOYSA-N	-1	0	271.345	3.044	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1NC(=O)c1cccc([S-])c1	ZINC001186155406	810316543	/nfs/dbraw/zinc/31/65/43/810316543.db2.gz	BKFVJHCNKLNOBC-UHFFFAOYSA-N	-1	0	290.294	3.377	20	30		CGEDRM
CC(C)c1ccc([N-]S(=O)(=O)c2ccco2)c(C#N)c1	ZINC001186856891	810366248	/nfs/dbraw/zinc/36/62/48/810366248.db2.gz	BXEDXMXBXPDRHL-UHFFFAOYSA-N	-1	0	290.344	3.075	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cscn1	ZINC001187994722	810439629	/nfs/dbraw/zinc/43/96/29/810439629.db2.gz	RANJFTFMRJDJBZ-UHFFFAOYSA-N	-1	0	276.427	3.245	20	30		CGEDRM
CCCCCCCCNC(=O)Nc1ncc(F)cc1[O-]	ZINC001191052139	810667416	/nfs/dbraw/zinc/66/74/16/810667416.db2.gz	KOYCIFXLMAKSJU-UHFFFAOYSA-N	-1	0	283.347	3.408	20	30		CGEDRM
CCCCCCCNC(=O)Nc1c(O)cccc1C#N	ZINC001191106800	810676700	/nfs/dbraw/zinc/67/67/00/810676700.db2.gz	QYIOBXKOASKBSJ-UHFFFAOYSA-N	-1	0	275.352	3.356	20	30		CGEDRM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)CC1CCCC1	ZINC001191526872	810723048	/nfs/dbraw/zinc/72/30/48/810723048.db2.gz	LTNWVMXTDQBQQJ-UHFFFAOYSA-N	-1	0	298.795	3.144	20	30		CGEDRM
N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)CC1CCCC1	ZINC001191527228	810723444	/nfs/dbraw/zinc/72/34/44/810723444.db2.gz	VOMACABPGAPGCU-UHFFFAOYSA-N	-1	0	298.795	3.144	20	30		CGEDRM
C[C@H]1CC[C@H](NC(=O)Nc2cc(C#N)c(F)cc2[O-])CC1	ZINC001191824972	810747444	/nfs/dbraw/zinc/74/74/44/810747444.db2.gz	VEUYMYYLJMIRDL-HOMQSWHASA-N	-1	0	291.326	3.103	20	30		CGEDRM
N#Cc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1[O-]	ZINC001193646537	810927590	/nfs/dbraw/zinc/92/75/90/810927590.db2.gz	LLILFNUDQRRCMF-INIZCTEOSA-N	-1	0	298.386	3.449	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2ccc(F)c([O-])c2F)s1	ZINC001193770600	810952385	/nfs/dbraw/zinc/95/23/85/810952385.db2.gz	OXLUTEQVJJYFKN-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214491978	815417424	/nfs/dbraw/zinc/41/74/24/815417424.db2.gz	NRQSQZLXPDUPNB-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
CCOC(=O)NC(=S)Nc1cccc2c(C#N)cccc12	ZINC001195487725	811259965	/nfs/dbraw/zinc/25/99/65/811259965.db2.gz	ZJLCIAHDCIZKNO-UHFFFAOYSA-N	-1	0	299.355	3.154	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1ccc(Cl)c([O-])c1F	ZINC001214797822	815452830	/nfs/dbraw/zinc/45/28/30/815452830.db2.gz	GHXXPZMIGIVJJG-UHFFFAOYSA-N	-1	0	281.649	3.334	20	30		CGEDRM
N#Cc1ccc(Nc2ccnc(Cl)c2[O-])c(F)c1	ZINC001201561453	811904356	/nfs/dbraw/zinc/90/43/56/811904356.db2.gz	JWLJEWBXUHADJU-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])cc2F)ccc1F	ZINC001203291976	812294182	/nfs/dbraw/zinc/29/41/82/812294182.db2.gz	DNGWGCZZNYWQTR-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001215471514	815522414	/nfs/dbraw/zinc/52/24/14/815522414.db2.gz	PUSRKPJSPWLWCN-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#Cc1ccc([N-]c2nnc(-c3ccco3)o2)cc1F	ZINC001204029061	812525192	/nfs/dbraw/zinc/52/51/92/812525192.db2.gz	URSULMQLOQTRBE-UHFFFAOYSA-N	-1	0	270.223	3.084	20	30		CGEDRM
COC(=O)c1c(F)ccc(-c2cccc(/C=N/[O-])c2)c1F	ZINC001204731633	812720601	/nfs/dbraw/zinc/72/06/01/812720601.db2.gz	QOOVWLBAQNYOOA-QGMBQPNBSA-N	-1	0	291.253	3.227	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1[N-]c1nonc1C1CC1	ZINC001215646285	815551739	/nfs/dbraw/zinc/55/17/39/815551739.db2.gz	YVUJBEUVSCGVIM-UHFFFAOYSA-N	-1	0	254.293	3.179	20	30		CGEDRM
COCOc1cc(C)ccc1Nc1scc([O-])c1C#N	ZINC001205447453	812985070	/nfs/dbraw/zinc/98/50/70/812985070.db2.gz	SZHSTFBACWCVAB-UHFFFAOYSA-N	-1	0	290.344	3.360	20	30		CGEDRM
Cc1cc(F)cc(-c2csc(C(=O)[O-])c2)c1C#N	ZINC001206278990	813269907	/nfs/dbraw/zinc/26/99/07/813269907.db2.gz	NYHWXIGTVRIUOU-UHFFFAOYSA-N	-1	0	261.277	3.433	20	30		CGEDRM
COc1cc(-c2csc(C(=O)[O-])c2)ccc1CC#N	ZINC001206278893	813270415	/nfs/dbraw/zinc/27/04/15/813270415.db2.gz	LSHVUWXAZMWWCR-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#CCCOc1ccc(-c2csc(C(=O)[O-])c2)cc1	ZINC001206291151	813273832	/nfs/dbraw/zinc/27/38/32/813273832.db2.gz	JAJDLJDXJBCEGP-UHFFFAOYSA-N	-1	0	273.313	3.406	20	30		CGEDRM
COc1ccc(Nc2ccccc2C#N)cc1C(=O)[O-]	ZINC001209902224	814194391	/nfs/dbraw/zinc/19/43/91/814194391.db2.gz	AEYALMGOEDUQNM-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C#N)c(C#N)c1	ZINC001210006653	814239472	/nfs/dbraw/zinc/23/94/72/814239472.db2.gz	BCVWYSIXRSEGPE-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
N#Cc1c(F)cc(Nc2cccc(CC(=O)[O-])c2)cc1F	ZINC001210077006	814276221	/nfs/dbraw/zinc/27/62/21/814276221.db2.gz	NSETXJBEJJPBFX-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1c(Cl)cccc1Nc1ccc(C(=O)[O-])nc1	ZINC001210175608	814321842	/nfs/dbraw/zinc/32/18/42/814321842.db2.gz	LELAIDKISKYYAT-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1nc2ccc(Nc3ccc(C(=O)[O-])nc3)cc2s1	ZINC001210176270	814321969	/nfs/dbraw/zinc/32/19/69/814321969.db2.gz	VHORPJVREHXPGL-UHFFFAOYSA-N	-1	0	296.311	3.005	20	30		CGEDRM
COc1ccc(Nc2cc(C(=O)[O-])ccc2OC)c(C#N)c1	ZINC001210258377	814369860	/nfs/dbraw/zinc/36/98/60/814369860.db2.gz	NMKVLUMJRUCTEJ-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210399306	814445453	/nfs/dbraw/zinc/44/54/53/814445453.db2.gz	VKUOKGKOWHAGCV-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)cc1C#N	ZINC001210549818	814519945	/nfs/dbraw/zinc/51/99/45/814519945.db2.gz	DGOUDCIILGPBAF-UHFFFAOYSA-N	-1	0	259.265	3.080	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cccc([S-])c1	ZINC001210947499	814686419	/nfs/dbraw/zinc/68/64/19/814686419.db2.gz	OYNWVOAJZDXKER-UHFFFAOYSA-N	-1	0	251.314	3.462	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccccc2C(=O)[O-])c1	ZINC001210969006	814696102	/nfs/dbraw/zinc/69/61/02/814696102.db2.gz	NEUJTLKZYZSOSG-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1ccc(Nc2ccccc2C(=O)[O-])c(F)c1F	ZINC001210968974	814696172	/nfs/dbraw/zinc/69/61/72/814696172.db2.gz	NXKQXIBXISCKTC-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1cnc(Nc2ccc(C)c(C(=O)[O-])c2)c(C#N)c1	ZINC001211596935	814915388	/nfs/dbraw/zinc/91/53/88/814915388.db2.gz	PZKRUCUOWNXFFO-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cccc([S-])c1	ZINC001242863564	823157173	/nfs/dbraw/zinc/15/71/73/823157173.db2.gz	DRBXZCLFSUCNOI-UHFFFAOYSA-N	-1	0	263.325	3.457	20	30		CGEDRM
C#Cc1cccc(Nc2cccc(C(=O)[O-])c2C)c1	ZINC001216660411	815887962	/nfs/dbraw/zinc/88/79/62/815887962.db2.gz	KRNWWTKOOWPLMK-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216683334	815893038	/nfs/dbraw/zinc/89/30/38/815893038.db2.gz	MIYMLBSZRTXTID-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#Cc1cc2cc(-c3ccccc3C(=O)[O-])ccc2[nH]1	ZINC001242877889	823161977	/nfs/dbraw/zinc/16/19/77/823161977.db2.gz	NIVXWBABFVSIAW-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccccc1C(=O)[O-])CCCC2	ZINC001242878233	823162040	/nfs/dbraw/zinc/16/20/40/823162040.db2.gz	CYECLONGQZOCFM-UHFFFAOYSA-N	-1	0	278.311	3.197	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccccc1C(=O)[O-]	ZINC001242879911	823162812	/nfs/dbraw/zinc/16/28/12/823162812.db2.gz	NRNHLZXSUYZMSH-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(F)c1C#N	ZINC001242922621	823173020	/nfs/dbraw/zinc/17/30/20/823173020.db2.gz	IMJVPMYGKNAOGO-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
CC[C@H]1OC(C)=C(O/C(=N\[O-])c2ccc(Cl)cc2)C1=O	ZINC001223594637	816655758	/nfs/dbraw/zinc/65/57/58/816655758.db2.gz	YVTBDAXTYLCJFT-QSJBWMMGSA-N	-1	0	295.722	3.102	20	30		CGEDRM
C=C[C@H](CCCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224903679	816906233	/nfs/dbraw/zinc/90/62/33/816906233.db2.gz	UEJQFOWJGZTUEB-CQSZACIVSA-N	-1	0	298.404	3.237	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccc(F)c2)[nH]1	ZINC001225466515	817061249	/nfs/dbraw/zinc/06/12/49/817061249.db2.gz	FCMYDRPPQRQYIE-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
C=CCC[C@H](CC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225516979	817081098	/nfs/dbraw/zinc/08/10/98/817081098.db2.gz	GJJOUTXEKIECCA-NSHDSACASA-N	-1	0	270.350	3.057	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225516977	817081460	/nfs/dbraw/zinc/08/14/60/817081460.db2.gz	GJJOUTXEKIECCA-LLVKDONJSA-N	-1	0	270.350	3.057	20	30		CGEDRM
CC[C@@H](C)CC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008167	817246770	/nfs/dbraw/zinc/24/67/70/817246770.db2.gz	FQCDCZYQQQWWFO-NXEZZACHSA-N	-1	0	266.316	3.392	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc(F)c(F)c1	ZINC001226008194	817247007	/nfs/dbraw/zinc/24/70/07/817247007.db2.gz	GBPAPBCQEZOGMQ-SSDOTTSWSA-N	-1	0	294.232	3.216	20	30		CGEDRM
C[C@@H]1CC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C[C@H]1C	ZINC001226009649	817247963	/nfs/dbraw/zinc/24/79/63/817247963.db2.gz	ZDMCWHHUAFIHIY-FXPVBKGRSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC[C@H](C)C[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009216	817248129	/nfs/dbraw/zinc/24/81/29/817248129.db2.gz	UUBTUDMIWLLRCV-ONGXEEELSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226012737	817249091	/nfs/dbraw/zinc/24/90/91/817249091.db2.gz	DIVCKMVGQDDEHC-CYBMUJFWSA-N	-1	0	272.279	3.328	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H](c1ccccc1)C1CC1	ZINC001226014236	817249527	/nfs/dbraw/zinc/24/95/27/817249527.db2.gz	UHJBGBDPVAFEJS-AWEZNQCLSA-N	-1	0	284.290	3.328	20	30		CGEDRM
C=CCOc1ccccc1[C@@H](C)Oc1nc(C)cc(=O)[n-]1	ZINC001226159120	817288024	/nfs/dbraw/zinc/28/80/24/817288024.db2.gz	HZSYVNPNNMQYOZ-GFCCVEGCSA-N	-1	0	286.331	3.195	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccccc2C)c1C#N	ZINC001226221264	817301509	/nfs/dbraw/zinc/30/15/09/817301509.db2.gz	KHRUKVSLGXLXNL-LBPRGKRZSA-N	-1	0	268.316	3.416	20	30		CGEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2ccc(Br)cc21	ZINC001226293236	817321563	/nfs/dbraw/zinc/32/15/63/817321563.db2.gz	TWMZFRVKGAASEI-SSDOTTSWSA-N	-1	0	295.136	3.051	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ncc3c(c2C#N)CCC3)c1	ZINC001243179284	823275714	/nfs/dbraw/zinc/27/57/14/823275714.db2.gz	NPZMBPUVQBVPBS-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
Cc1ccc(-c2ccc(F)cc2OCC#N)cc1C(=O)[O-]	ZINC001243195441	823284574	/nfs/dbraw/zinc/28/45/74/823284574.db2.gz	RKYHZRQDXUDYDH-UHFFFAOYSA-N	-1	0	285.274	3.402	20	30		CGEDRM
Cc1ccc(-c2ccc(CC#N)c(C#N)c2)cc1C(=O)[O-]	ZINC001243194776	823284604	/nfs/dbraw/zinc/28/46/04/823284604.db2.gz	HSIPWHFNXXYTJM-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
Cc1cc(-c2nc3ncccc3cc2C#N)ccc1C(=O)[O-]	ZINC001243213880	823295018	/nfs/dbraw/zinc/29/50/18/823295018.db2.gz	DHFDTYXEWWNTPK-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)ncc2Cl)O1	ZINC001228480455	817918273	/nfs/dbraw/zinc/91/82/73/817918273.db2.gz	KSUVUIKJFFVXHO-IINYFYTJSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(=C)C	ZINC001231261357	818065427	/nfs/dbraw/zinc/06/54/27/818065427.db2.gz	ATQKGPBOCYPOKC-LBPRGKRZSA-N	-1	0	278.308	3.294	20	30		CGEDRM
N#Cc1ccc([O-])c(CN2Cc3ccc(Cl)cc3C2)c1	ZINC001232677500	818417661	/nfs/dbraw/zinc/41/76/61/818417661.db2.gz	DSODHMAMRTVNNM-UHFFFAOYSA-N	-1	0	284.746	3.433	20	30		CGEDRM
Cc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)c(C#N)n1	ZINC001243325492	823348845	/nfs/dbraw/zinc/34/88/45/823348845.db2.gz	QKOGTYBMDOCMSA-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc([O-])c(F)c1F	ZINC001243341140	823356119	/nfs/dbraw/zinc/35/61/19/823356119.db2.gz	DHNKPJLRBVHLDK-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#C[C@@H](Oc1nc2c(cccc2O)[nH]1)c1cccc(F)c1	ZINC001234453182	818859180	/nfs/dbraw/zinc/85/91/80/818859180.db2.gz	UQENVTJGSNWFNK-CYBMUJFWSA-N	-1	0	283.262	3.051	20	30		CGEDRM
CC(C)CC[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234512047	818869903	/nfs/dbraw/zinc/86/99/03/818869903.db2.gz	ZLNSYVNSKIOILO-NSHDSACASA-N	-1	0	285.347	3.411	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)C	ZINC001234519084	818871686	/nfs/dbraw/zinc/87/16/86/818871686.db2.gz	DJQYHDGCHSBEJI-CYBMUJFWSA-N	-1	0	271.320	3.020	20	30		CGEDRM
Cc1cc(C#N)c(-c2c(F)cc(F)c([O-])c2F)nc1C	ZINC001235985744	819260550	/nfs/dbraw/zinc/26/05/50/819260550.db2.gz	PKKYTPMFSVUNEO-UHFFFAOYSA-N	-1	0	278.233	3.360	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1F	ZINC001236143820	819344141	/nfs/dbraw/zinc/34/41/41/819344141.db2.gz	MUFVQMXZBRLKCG-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
N#Cc1ccc(-c2ccccc2/C=C/C(=O)[O-])c(F)c1	ZINC001236532140	819525109	/nfs/dbraw/zinc/52/51/09/819525109.db2.gz	IMMBXAITCBEULG-SOFGYWHQSA-N	-1	0	267.259	3.462	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1C#N	ZINC001239257269	820242437	/nfs/dbraw/zinc/24/24/37/820242437.db2.gz	XLHFQBAUUBHANQ-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
COc1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1C#N	ZINC001243609139	823466258	/nfs/dbraw/zinc/46/62/58/823466258.db2.gz	OLUBHTBRSFIIAV-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(F)c1C#N	ZINC001240734542	821286864	/nfs/dbraw/zinc/28/68/64/821286864.db2.gz	ABALVBPBADGQRM-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C2(C#N)CC2)cn1	ZINC001240733675	821287361	/nfs/dbraw/zinc/28/73/61/821287361.db2.gz	JQOJYFADYGAULW-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])s2)ncc1C(F)(F)F	ZINC001240844489	821365258	/nfs/dbraw/zinc/36/52/58/821365258.db2.gz	VVBNYBAKFJPPOW-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
COc1ccc(-c2cc(C(=O)[O-])ccc2C)c(CC#N)c1	ZINC001241001516	821480054	/nfs/dbraw/zinc/48/00/54/821480054.db2.gz	BXWGUQDXNXRFCO-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cnc2c(C#N)c[nH]c2c1	ZINC001241002451	821480845	/nfs/dbraw/zinc/48/08/45/821480845.db2.gz	CDTZMKSNGSYUKX-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
CC#Cc1cncc(-c2cc(C(=O)[O-])ccc2C)c1	ZINC001241002582	821482277	/nfs/dbraw/zinc/48/22/77/821482277.db2.gz	IYCKLPCVQCDLPN-UHFFFAOYSA-N	-1	0	251.285	3.127	20	30		CGEDRM
Cc1ccc(-c2ncc3c(c2C#N)CCC3)c([O-])c1	ZINC001241035803	821512163	/nfs/dbraw/zinc/51/21/63/821512163.db2.gz	IYCJEJFRFFAJID-UHFFFAOYSA-N	-1	0	250.301	3.123	20	30		CGEDRM
COc1cccc(-c2c(F)cc([O-])cc2F)c1C#N	ZINC001241121022	821576717	/nfs/dbraw/zinc/57/67/17/821576717.db2.gz	YPCGIENWLZBWIS-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(C(=O)[O-])c(Cl)c3)ccc2[nH]1	ZINC001241347855	821750952	/nfs/dbraw/zinc/75/09/52/821750952.db2.gz	OETINMRZFDWVQS-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
N#Cc1cnc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)cn12	ZINC001241350889	821753022	/nfs/dbraw/zinc/75/30/22/821753022.db2.gz	XRHRDLZZQYZUAM-UHFFFAOYSA-N	-1	0	297.701	3.225	20	30		CGEDRM
N#Cc1ccc2nccc(-c3cccc(C(=O)[O-])c3)c2c1	ZINC001241359115	821760190	/nfs/dbraw/zinc/76/01/90/821760190.db2.gz	HZXRRLGVKAWZNW-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1cc(F)c(-c2ccccc2C=N[O-])c(F)c1	ZINC001241695405	822077568	/nfs/dbraw/zinc/07/75/68/822077568.db2.gz	YHEDMAZCASARSJ-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
C[C@H](C#N)c1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241802134	822151395	/nfs/dbraw/zinc/15/13/95/822151395.db2.gz	CZEZQKIFCBXKSB-SNVBAGLBSA-N	-1	0	252.273	3.074	20	30		CGEDRM
N#CC1(c2ccnc(-c3cc(F)cc(C(=O)[O-])c3)c2)CC1	ZINC001241820780	822161759	/nfs/dbraw/zinc/16/17/59/822161759.db2.gz	AKMLEIOHYOFKBX-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cccc(F)c1[O-]	ZINC001242349748	822960417	/nfs/dbraw/zinc/96/04/17/822960417.db2.gz	QCBXSPMAGAWGCI-UHFFFAOYSA-N	-1	0	269.279	3.129	20	30		CGEDRM
COc1cc(-c2cccc(F)c2[O-])cc(F)c1C#N	ZINC001242353367	822962532	/nfs/dbraw/zinc/96/25/32/822962532.db2.gz	NIJGSZOBHWAWKQ-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
N#CC1(c2ccnc(-c3cccc(C(=O)[O-])c3F)c2)CC1	ZINC001242380761	822975111	/nfs/dbraw/zinc/97/51/11/822975111.db2.gz	SNEBHJOYDKHRHC-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(F)c1CC#N	ZINC001242392484	822979823	/nfs/dbraw/zinc/97/98/23/822979823.db2.gz	DFSUYXXSXVTILA-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
Cc1ncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1N	ZINC001242413041	822985598	/nfs/dbraw/zinc/98/55/98/822985598.db2.gz	NXWYBZXXFBGFAO-CGOBSMCZSA-N	-1	0	295.264	3.466	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001344552259	936538323	/nfs/dbraw/zinc/53/83/23/936538323.db2.gz	ZQNUKXGUTSYKGU-HNNXBMFYSA-N	-1	0	287.359	3.264	20	30		CGEDRM
C=C(C)CCC(=O)N(CCCC(=O)[O-])Cc1ccccc1	ZINC001345755111	936824253	/nfs/dbraw/zinc/82/42/53/936824253.db2.gz	MGUGACIFOBBETQ-UHFFFAOYSA-N	-1	0	289.375	3.236	20	30		CGEDRM
N#CC(=C([O-])C1=CCCCCC1)c1ncc(F)cc1F	ZINC001346764034	936861001	/nfs/dbraw/zinc/86/10/01/936861001.db2.gz	NEMNRWTWHROAQJ-LBPRGKRZSA-N	-1	0	276.286	3.427	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ncccc2C)n1	ZINC000588456843	926764279	/nfs/dbraw/zinc/76/42/79/926764279.db2.gz	OCUGLNHVPNVOBW-FJOGCWAESA-N	-1	0	283.356	3.045	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1cc2ccccc2o1	ZINC001452741486	937397889	/nfs/dbraw/zinc/39/78/89/937397889.db2.gz	WYACILPBUGPYAB-WDEREUQCSA-N	-1	0	259.305	3.159	20	30		CGEDRM
N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(F)cc1[O-]	ZINC001457714259	937445048	/nfs/dbraw/zinc/44/50/48/937445048.db2.gz	HNFOLMPRJACLQY-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
C#C[C@H](C)Oc1ccc2c(c1)oc1cc(O)ccc1c2=O	ZINC001229517782	932164484	/nfs/dbraw/zinc/16/44/84/932164484.db2.gz	QCODPHCRDZRUMY-JTQLQIEISA-N	-1	0	280.279	3.052	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)nc2c3ccccc3oc21)[C@H](C)S	ZINC001230667103	932605264	/nfs/dbraw/zinc/60/52/64/932605264.db2.gz	RYAGDHGGEJNPCH-SFYZADRCSA-N	-1	0	290.344	3.167	20	30		CGEDRM
CC#C[C@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231049602	932665674	/nfs/dbraw/zinc/66/56/74/932665674.db2.gz	METARYGBBNCCKR-ZETCQYMHSA-N	-1	0	284.146	3.445	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2C=CCCC2)c1[O-]	ZINC001323771090	934424154	/nfs/dbraw/zinc/42/41/54/934424154.db2.gz	KQMYTMHBESLYCI-UXYFDLPDSA-N	-1	0	280.711	3.481	20	30		CGEDRM
CC(C)CNN=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC001324207916	934471085	/nfs/dbraw/zinc/47/10/85/934471085.db2.gz	SZNVYQVWMISUPI-UHFFFAOYSA-N	-1	0	294.782	3.058	20	30		CGEDRM
C=CC[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC001324697365	934551197	/nfs/dbraw/zinc/55/11/97/934551197.db2.gz	FREOTJIVTDGHOF-AWEZNQCLSA-N	-1	0	288.347	3.105	20	30		CGEDRM
CC1(C)C2CCC1(C(=O)[N-]Oc1cccc(C#N)c1)CC2	ZINC001520372251	938025064	/nfs/dbraw/zinc/02/50/64/938025064.db2.gz	AOEGLJHWADMMMV-UHFFFAOYSA-N	-1	0	284.359	3.185	20	30		CGEDRM
CCc1ccsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001524705217	938044926	/nfs/dbraw/zinc/04/49/26/938044926.db2.gz	OXUXPCJTBZOGTO-SNVBAGLBSA-N	-1	0	274.320	3.335	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2ncc3ccccc3c2[O-])c1	ZINC001540364576	938130597	/nfs/dbraw/zinc/13/05/97/938130597.db2.gz	VRDWKSIFGPTQHX-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000049881821	957482635	/nfs/dbraw/zinc/48/26/35/957482635.db2.gz	HSLFSTFEVGMTFF-KBPBESRZSA-N	-1	0	283.412	3.449	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NCC1(C(=O)[O-])CCCC1	ZINC000137843845	958939844	/nfs/dbraw/zinc/93/98/44/958939844.db2.gz	RKXFYVQPTGEXMZ-UHFFFAOYSA-N	-1	0	278.739	3.269	20	30		CGEDRM
CCCCCCCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000147289488	958998330	/nfs/dbraw/zinc/99/83/30/958998330.db2.gz	HTDFLAWXSDYFCS-KGLIPLIRSA-N	-1	0	283.412	3.354	20	30		CGEDRM
CCCC[C@@H](Sc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC001595657836	960536729	/nfs/dbraw/zinc/53/67/29/960536729.db2.gz	TUNKEPXAMZVVKA-GFCCVEGCSA-N	-1	0	294.332	3.202	20	30		CGEDRM
C=CCCCCCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602718800	960550195	/nfs/dbraw/zinc/55/01/95/960550195.db2.gz	AXFGJHALHGSCLL-INIZCTEOSA-N	-1	0	279.380	3.050	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001566864141	961036604	/nfs/dbraw/zinc/03/66/04/961036604.db2.gz	PBCMEZPKEIAUEI-MRVPVSSYSA-N	-1	0	298.726	3.495	20	30		CGEDRM
C#CCCCCCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	ZINC001573302725	962660625	/nfs/dbraw/zinc/66/06/25/962660625.db2.gz	ZNICAHFAJFVZQK-UHFFFAOYSA-N	-1	0	295.423	3.166	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1	ZINC001573313897	962739324	/nfs/dbraw/zinc/73/93/24/962739324.db2.gz	SYLBXJFBXGNBAK-UHFFFAOYSA-N	-1	0	280.283	3.010	20	30		CGEDRM
C=C(C)CNc1ccc(C(=O)[O-])cc1OCC(F)F	ZINC001588570258	962803632	/nfs/dbraw/zinc/80/36/32/962803632.db2.gz	VIPHPFPWHRCYNL-UHFFFAOYSA-N	-1	0	271.263	3.017	20	30		CGEDRM
C=C(CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21	ZINC001573326401	962803725	/nfs/dbraw/zinc/80/37/25/962803725.db2.gz	VWWBDXUHNHGLLT-ILXRZTDVSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1	ZINC001573345561	962936108	/nfs/dbraw/zinc/93/61/08/962936108.db2.gz	WEPHCFWEKKTQSS-LLVKDONJSA-N	-1	0	287.340	3.355	20	30		CGEDRM
C=CC[C@@H]1CC[C@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1	ZINC001573352767	962993503	/nfs/dbraw/zinc/99/35/03/962993503.db2.gz	JWCLKJIUGYYPII-OCCSQVGLSA-N	-1	0	299.374	3.278	20	30		CGEDRM
C=CC[C@@H](Sc1nc2ccc(F)cc2o1)C(=O)[O-]	ZINC001573353429	963001411	/nfs/dbraw/zinc/00/14/11/963001411.db2.gz	VDFZGLBYNGQZAW-SNVBAGLBSA-N	-1	0	267.281	3.088	20	30		CGEDRM
C=CCCCCCCCNC(=O)c1cc(C(=O)[O-])co1	ZINC001573366407	963059656	/nfs/dbraw/zinc/05/96/56/963059656.db2.gz	LZZONUGASMMVBK-UHFFFAOYSA-N	-1	0	279.336	3.234	20	30		CGEDRM
C(CCc1ccc(-c2nn[nH]n2)cc1)=NOC1CCCCC1	ZINC001588384523	963266017	/nfs/dbraw/zinc/26/60/17/963266017.db2.gz	UBCJAWARPCOQNF-UHFFFAOYSA-N	-1	0	299.378	3.134	20	30		CGEDRM
C#C[C@@](C)(CC)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC001588367121	963268001	/nfs/dbraw/zinc/26/80/01/963268001.db2.gz	JHWYLJQWHVKPBP-JSGCOSHPSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C#CC[C@H](OC(=O)c1ccc(C(=O)[O-])cc1F)C(C)(C)C	ZINC001588428648	963273044	/nfs/dbraw/zinc/27/30/44/963273044.db2.gz	WQGTZTHHWQBGBJ-ZDUSSCGKSA-N	-1	0	292.306	3.119	20	30		CGEDRM
C#Cc1ccc(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC001588517433	963274966	/nfs/dbraw/zinc/27/49/66/963274966.db2.gz	BBWBUAKSBJYEQZ-CYBMUJFWSA-N	-1	0	295.338	3.132	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001588460462	963279356	/nfs/dbraw/zinc/27/93/56/963279356.db2.gz	IUCSVXRQSQSYOH-CQSZACIVSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC001588536176	963279488	/nfs/dbraw/zinc/27/94/88/963279488.db2.gz	PTJGNORGFNVKGS-MNOVXSKESA-N	-1	0	256.342	3.021	20	30		CGEDRM
C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])o1	ZINC001588567283	963285294	/nfs/dbraw/zinc/28/52/94/963285294.db2.gz	JAQHPAFPQLZBQS-UHFFFAOYSA-N	-1	0	299.326	3.196	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588554872	963286984	/nfs/dbraw/zinc/28/69/84/963286984.db2.gz	SELDFVQMZOVWQZ-UHFFFAOYSA-N	-1	0	284.315	3.228	20	30		CGEDRM
C=C(C)CCC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC001588559155	963287751	/nfs/dbraw/zinc/28/77/51/963287751.db2.gz	JRBRNLSEUGEZGJ-SOFGYWHQSA-N	-1	0	290.315	3.055	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](c1ccccc1)C(C)C	ZINC001588607316	963292924	/nfs/dbraw/zinc/29/29/24/963292924.db2.gz	YZVVOSWHYZYJMP-INIZCTEOSA-N	-1	0	289.375	3.263	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-]	ZINC001588672506	963300021	/nfs/dbraw/zinc/30/00/21/963300021.db2.gz	UKUSBKAKCZYXNZ-INIZCTEOSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C[C@H](C(=O)NCCCCCCC(=O)[O-])c1ccccc1	ZINC001588664896	963300942	/nfs/dbraw/zinc/30/09/42/963300942.db2.gz	ZBCOWKMYECDODM-HNNXBMFYSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1	ZINC001588693348	963302774	/nfs/dbraw/zinc/30/27/74/963302774.db2.gz	WTTDEZCWNSZXPC-ZJUUUORDSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=C[C@H](Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)[O-]	ZINC001588702035	963302976	/nfs/dbraw/zinc/30/29/76/963302976.db2.gz	GYZHBQXZTUCYKY-NSHDSACASA-N	-1	0	288.347	3.468	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588771708	963314888	/nfs/dbraw/zinc/31/48/88/963314888.db2.gz	YEZFGWXGGYEYBK-DOMZBBRYSA-N	-1	0	287.359	3.250	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC001588790532	963315079	/nfs/dbraw/zinc/31/50/79/963315079.db2.gz	YNDZRTXBNWPTTE-HZSPNIEDSA-N	-1	0	293.407	3.151	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588773220	963315824	/nfs/dbraw/zinc/31/58/24/963315824.db2.gz	XOHZBZRSAJZPQG-GFCCVEGCSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588770776	963316066	/nfs/dbraw/zinc/31/60/66/963316066.db2.gz	GOXUGZHWWBPPIZ-FZMZJTMJSA-N	-1	0	289.331	3.072	20	30		CGEDRM
CC(=[NH+][N-]c1ccc(C)c(C(=O)[O-])c1)c1ccc(N)cc1	ZINC001589016507	963341567	/nfs/dbraw/zinc/34/15/67/963341567.db2.gz	RLRBPWABQHJXKO-UHFFFAOYSA-N	-1	0	283.331	3.112	20	30		CGEDRM
C[C@H](C#N)CNc1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC001589330404	963982729	/nfs/dbraw/zinc/98/27/29/963982729.db2.gz	CXMAMVPKGGUUNR-ZCFIWIBFSA-N	-1	0	273.119	3.263	20	30		CGEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2cc(C)cc(F)c2C#N)C1	ZINC001589607135	964005386	/nfs/dbraw/zinc/00/53/86/964005386.db2.gz	DAXVTWYVSINZMR-MRXNPFEDSA-N	-1	0	290.338	3.087	20	30		CGEDRM
CCCCCCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589644965	964012430	/nfs/dbraw/zinc/01/24/30/964012430.db2.gz	GEEGLRFMCGFETQ-KGLIPLIRSA-N	-1	0	298.427	3.290	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000393751565	972635576	/nfs/dbraw/zinc/63/55/76/972635576.db2.gz	VZOABHUOHRYBRH-VIFPVBQESA-N	-1	0	280.299	3.000	20	30		CGEDRM
C[C@H](C1CC1)n1nc(C(=O)[O-])cc1-c1ccc(C#N)cc1	ZINC001592182003	977114531	/nfs/dbraw/zinc/11/45/31/977114531.db2.gz	UYBMJVKPICDOPJ-SNVBAGLBSA-N	-1	0	281.315	3.091	20	30		CGEDRM
Cc1cccc(N=NC(C)CC(C)(C)CC(=O)[O-])n1	ZINC001592444616	978104264	/nfs/dbraw/zinc/10/42/64/978104264.db2.gz	POMHGPFNDWMUHT-UHFFFAOYSA-N	-1	0	263.341	3.069	20	30		CGEDRM
C[C@H](CCC#N)CN1CCCCc2cc(C(=O)[O-])ccc21	ZINC001592472000	978235814	/nfs/dbraw/zinc/23/58/14/978235814.db2.gz	ZEPDIZCYHFXWKT-CYBMUJFWSA-N	-1	0	286.375	3.467	20	30		CGEDRM
CC[C@H](CC#N)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001595030015	979162694	/nfs/dbraw/zinc/16/26/94/979162694.db2.gz	JJNJPSFUKCKQKV-SSDOTTSWSA-N	-1	0	297.698	3.051	20	30		CGEDRM
CCCCCCC[S@@](=O)Cc1nc(C(=O)[O-])cs1	ZINC001595708681	982285463	/nfs/dbraw/zinc/28/54/63/982285463.db2.gz	AHDKTMQMHIWGCA-GOSISDBHSA-N	-1	0	289.422	3.060	20	30		CGEDRM
CC[C@H](C)[C@H](Nc1cccc(OCCCC#N)c1)C(=O)[O-]	ZINC001594922374	982476086	/nfs/dbraw/zinc/47/60/86/982476086.db2.gz	YPOIHJOWTSTVID-WFASDCNBSA-N	-1	0	290.363	3.280	20	30		CGEDRM
CCC[C@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC001596011496	983274021	/nfs/dbraw/zinc/27/40/21/983274021.db2.gz	YEMXJBMTPUAREO-FBJMNJBLSA-N	-1	0	271.316	3.218	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2cccc(F)c2C(=O)[O-])C1(C)C	ZINC001596803999	985321007	/nfs/dbraw/zinc/32/10/07/985321007.db2.gz	AGQDIWITTJKPHY-GFCCVEGCSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCO[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001596853815	985595929	/nfs/dbraw/zinc/59/59/29/985595929.db2.gz	ZIYRIAXBWOVXJK-ZDUSSCGKSA-N	-1	0	296.754	3.395	20	30		CGEDRM
CN(CC(C)(C)C#N)[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001598419755	991753855	/nfs/dbraw/zinc/75/38/55/991753855.db2.gz	NEGYETMLUQJHLO-GFCCVEGCSA-N	-1	0	298.745	3.086	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N[C@@H](C)c1ccc(C#N)cc1	ZINC001599376363	998492434	/nfs/dbraw/zinc/49/24/34/998492434.db2.gz	YCXSVNKXGGTSMO-NSHDSACASA-N	-1	0	296.326	3.438	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1F	ZINC001599477845	998561359	/nfs/dbraw/zinc/56/13/59/998561359.db2.gz	FMHPWRUGZXXJKQ-DUXPYHPUSA-N	-1	0	290.246	3.022	20	30		CGEDRM
CC1CC(C#N)(C(=O)Nc2cc(Cl)c([O-])cc2F)C1	ZINC000553699022	346655632	/nfs/dbraw/zinc/65/56/32/346655632.db2.gz	KTGWTMGUQFMWPC-UHFFFAOYSA-N	-1	0	282.702	3.063	20	30		CGEDRM
C=CCCSCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000594735540	347215014	/nfs/dbraw/zinc/21/50/14/347215014.db2.gz	ITAPKCKSHCSTBP-UHFFFAOYSA-N	-1	0	296.348	3.014	20	30		CGEDRM
N#CC1(C(=O)Nc2cccc(Cl)c2[O-])CC2(CC2)C1	ZINC000601377638	347893317	/nfs/dbraw/zinc/89/33/17/347893317.db2.gz	HGQCIJNRFXQQNG-UHFFFAOYSA-N	-1	0	276.723	3.068	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C(C)C)cc2)c(=O)c1CCC#N	ZINC000601938563	347926643	/nfs/dbraw/zinc/92/66/43/347926643.db2.gz	MBMTUHVVVYUJBY-OAHLLOKOSA-N	-1	0	269.348	3.452	20	30		CGEDRM
N#CC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCCC1	ZINC000603570670	348090418	/nfs/dbraw/zinc/09/04/18/348090418.db2.gz	WQAUHKSSEZZHHQ-UHFFFAOYSA-N	-1	0	292.722	3.061	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc3occc3s2)nc(C)n1	ZINC000606147470	348171220	/nfs/dbraw/zinc/17/12/20/348171220.db2.gz	WZXZNTFIQZOBQP-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
CC(C)Cc1nc(=N[C@@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000613884225	348637739	/nfs/dbraw/zinc/63/77/39/348637739.db2.gz	RONJSDBUTPBPMC-NSHDSACASA-N	-1	0	286.404	3.203	20	30		CGEDRM
Cc1c(NCc2cccc(C#N)c2)cccc1C(=O)[O-]	ZINC000037122573	137877386	/nfs/dbraw/zinc/87/73/86/137877386.db2.gz	QRIBYLVUMLSDCY-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1	ZINC000624581521	350067392	/nfs/dbraw/zinc/06/73/92/350067392.db2.gz	XLDRHZKFQSXLJH-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CCc1nocc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000626467185	350310022	/nfs/dbraw/zinc/31/00/22/350310022.db2.gz	HJUATKSOOVFXBC-SECBINFHSA-N	-1	0	287.344	3.061	20	30		CGEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000630296483	350821855	/nfs/dbraw/zinc/82/18/55/350821855.db2.gz	DNJVIAWOSWRNMP-UKRRQHHQSA-N	-1	0	289.375	3.311	20	30		CGEDRM
Cc1conc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000633989586	351415368	/nfs/dbraw/zinc/41/53/68/351415368.db2.gz	UVTRNSJGIKLKGP-VIFPVBQESA-N	-1	0	289.360	3.227	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634927595	351605017	/nfs/dbraw/zinc/60/50/17/351605017.db2.gz	UAELNMVPJMEUDR-DVOMOZLQSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)CC2(C(=O)[O-])CCCCCC2)C1	ZINC000634938360	351606655	/nfs/dbraw/zinc/60/66/55/351606655.db2.gz	GEQQZPZLAPXWFT-CQSZACIVSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CCCC1(C)C	ZINC000634936900	351606682	/nfs/dbraw/zinc/60/66/82/351606682.db2.gz	WCRPXXJPXMQKSQ-IHRRRGAJSA-N	-1	0	293.407	3.081	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)cc1C	ZINC000046929909	369300073	/nfs/dbraw/zinc/30/00/73/369300073.db2.gz	IFYNCESVWWFZHX-ZDUSSCGKSA-N	-1	0	293.388	3.305	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)oc2C)n1	ZINC000048520361	369356886	/nfs/dbraw/zinc/35/68/86/369356886.db2.gz	IYUPJOUPQNQMED-LLVKDONJSA-N	-1	0	260.318	3.151	20	30		CGEDRM
C=CCC(F)(F)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000294205243	372612469	/nfs/dbraw/zinc/61/24/69/372612469.db2.gz	TYVUQNTWEAGXLD-UHFFFAOYSA-N	-1	0	298.289	3.158	20	30		CGEDRM
C=CCOc1cccc(NC(=O)c2ccc(F)cc2[O-])c1	ZINC000436546402	372835800	/nfs/dbraw/zinc/83/58/00/372835800.db2.gz	OIUBKCANTZXNMP-UHFFFAOYSA-N	-1	0	287.290	3.348	20	30		CGEDRM
CCc1ccc([C@@H](C#N)NC(=O)c2c([O-])cccc2F)cc1	ZINC000436729221	372840540	/nfs/dbraw/zinc/84/05/40/372840540.db2.gz	GIYBZWGBGZQGKW-CQSZACIVSA-N	-1	0	298.317	3.088	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000436853205	372843372	/nfs/dbraw/zinc/84/33/72/372843372.db2.gz	JTFCBFOLZZJJLC-JTQLQIEISA-N	-1	0	283.730	3.365	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CCC1	ZINC000296877463	373250580	/nfs/dbraw/zinc/25/05/80/373250580.db2.gz	WSSGJZAIQUVBNO-RMKNXTFCSA-N	-1	0	285.343	3.469	20	30		CGEDRM
N#Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c(Cl)c1)CC2	ZINC000334189545	206166538	/nfs/dbraw/zinc/16/65/38/206166538.db2.gz	IXIXIOHXZPMJDT-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
Cn1ccc2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c21	ZINC000188130587	375162753	/nfs/dbraw/zinc/16/27/53/375162753.db2.gz	GNSXPRMTGPQWNY-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000487919975	375285080	/nfs/dbraw/zinc/28/50/80/375285080.db2.gz	QEIWHFXTIKCRDK-ZDUSSCGKSA-N	-1	0	283.331	3.047	20	30		CGEDRM
Cc1ccn(C)c1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	ZINC000190786447	375539051	/nfs/dbraw/zinc/53/90/51/375539051.db2.gz	ZOVCWVUDKPBHAT-NSHDSACASA-N	-1	0	287.388	3.404	20	30		CGEDRM
N#Cc1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000225224162	376298566	/nfs/dbraw/zinc/29/85/66/376298566.db2.gz	LTEDVFWTDOLOCV-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C)c1	ZINC000230333393	376506174	/nfs/dbraw/zinc/50/61/74/376506174.db2.gz	LVTBKNPQJWEBRM-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=CCn1c(SC[C@@H](C)C2CCCCC2)n[n-]c1=N	ZINC000555011576	376853723	/nfs/dbraw/zinc/85/37/23/376853723.db2.gz	QYVUKNIOGFARQF-LLVKDONJSA-N	-1	0	280.441	3.185	20	30		CGEDRM
CC(C)(C)SCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000263844242	377952839	/nfs/dbraw/zinc/95/28/39/377952839.db2.gz	MGQYBXKKLQPFKO-NTEUORMPSA-N	-1	0	282.365	3.251	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000281695715	379843414	/nfs/dbraw/zinc/84/34/14/379843414.db2.gz	LRAPGVOZDJRSNQ-SNVBAGLBSA-N	-1	0	253.729	3.130	20	30		CGEDRM
CCCc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccn1	ZINC000355120595	380583722	/nfs/dbraw/zinc/58/37/22/380583722.db2.gz	NLWDHTLJRCGFGF-CYBMUJFWSA-N	-1	0	285.372	3.289	20	30		CGEDRM
CCOc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1C	ZINC000356921604	380940274	/nfs/dbraw/zinc/94/02/74/380940274.db2.gz	QCRWOEAXYAVRED-UHFFFAOYSA-N	-1	0	296.326	3.223	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361517251	381785438	/nfs/dbraw/zinc/78/54/38/381785438.db2.gz	BBEQJZQJHZAIRV-AWEZNQCLSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000192872410	130556222	/nfs/dbraw/zinc/55/62/22/130556222.db2.gz	VCMKODAEALLGNC-UVMWJGKXSA-N	-1	0	273.332	3.325	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1	ZINC000647379512	392711951	/nfs/dbraw/zinc/71/19/51/392711951.db2.gz	OTLWZYMVULFEMS-GFCCVEGCSA-N	-1	0	283.356	3.214	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)s1)c1nc(C2CC2)cs1	ZINC000647378202	392712056	/nfs/dbraw/zinc/71/20/56/392712056.db2.gz	DQCWOCHAOLVCAK-SNVBAGLBSA-N	-1	0	299.380	3.444	20	30		CGEDRM
Cc1[nH]c(C#N)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380108	392712721	/nfs/dbraw/zinc/71/27/21/392712721.db2.gz	KJSFCOQSLGMSCP-LBPRGKRZSA-N	-1	0	296.355	3.019	20	30		CGEDRM
C=CCCC1(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)CC1	ZINC000360317650	393562885	/nfs/dbraw/zinc/56/28/85/393562885.db2.gz	PBPYFCWGNWXLLB-UHFFFAOYSA-N	-1	0	285.347	3.085	20	30		CGEDRM
N#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000360767543	393584763	/nfs/dbraw/zinc/58/47/63/393584763.db2.gz	XKADJPJEHGWCGP-UHFFFAOYSA-N	-1	0	273.119	3.331	20	30		CGEDRM
Cc1ncoc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000679404816	543634874	/nfs/dbraw/zinc/63/48/74/543634874.db2.gz	LSYLMASEHZHDTI-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000659166302	418963474	/nfs/dbraw/zinc/96/34/74/418963474.db2.gz	JYKCVLGFPBGIAL-URGYJCLVSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCN(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000655020073	419015329	/nfs/dbraw/zinc/01/53/29/419015329.db2.gz	IDQWFAGJHORZBG-UHFFFAOYSA-N	-1	0	273.254	3.059	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000249654295	261256534	/nfs/dbraw/zinc/25/65/34/261256534.db2.gz	ZBEXEZCQUBCFPY-YDHLFZDLSA-N	-1	0	289.375	3.167	20	30		CGEDRM
CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)c(O)c1	ZINC000331227238	264150514	/nfs/dbraw/zinc/15/05/14/264150514.db2.gz	DKTGTLZDLJLYSE-OCCSQVGLSA-N	-1	0	291.391	3.371	20	30		CGEDRM
CCc1ccc(C(=O)NCC[C@@H]2CCO[C@H](C)C2)c(O)c1	ZINC000331227270	264150698	/nfs/dbraw/zinc/15/06/98/264150698.db2.gz	DQJGHERZRUSXNX-TZMCWYRMSA-N	-1	0	291.391	3.464	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361517252	266838691	/nfs/dbraw/zinc/83/86/91/266838691.db2.gz	BBEQJZQJHZAIRV-CQSZACIVSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ncnn1C	ZINC000276473610	328218645	/nfs/dbraw/zinc/21/86/45/328218645.db2.gz	QSXFUVVZOFKNJI-JGSFKELHSA-N	-1	0	299.161	3.008	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000559989907	327275889	/nfs/dbraw/zinc/27/58/89/327275889.db2.gz	XFZMANVMNGDESX-JTQLQIEISA-N	-1	0	294.266	3.113	20	30		CGEDRM
O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1cccs1	ZINC000042243726	328762540	/nfs/dbraw/zinc/76/25/40/328762540.db2.gz	VYBLYWBFLCWRDB-CMDGGOBGSA-N	-1	0	293.369	3.107	20	30		CGEDRM
C=CCC[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000262910937	330036782	/nfs/dbraw/zinc/03/67/82/330036782.db2.gz	NDURVFSLMKDDNM-UONOGXRCSA-N	-1	0	281.396	3.129	20	30		CGEDRM
N#CC(=C([O-])c1cc2ccccc2o1)c1ccccn1	ZINC000046439447	330352888	/nfs/dbraw/zinc/35/28/88/330352888.db2.gz	BIFOCEYHHIMTFR-GFCCVEGCSA-N	-1	0	262.268	3.318	20	30		CGEDRM
Cc1ccncc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000426174627	330501064	/nfs/dbraw/zinc/50/10/64/330501064.db2.gz	OLEOLYSFCXWIOF-NSHDSACASA-N	-1	0	285.372	3.460	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1O	ZINC000184843543	333132703	/nfs/dbraw/zinc/13/27/03/333132703.db2.gz	DSLPPQZRUFYCFY-NSHDSACASA-N	-1	0	291.347	3.110	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCC1	ZINC000263529798	534595136	/nfs/dbraw/zinc/59/51/36/534595136.db2.gz	LXBFXPAVJSSMFF-UHFFFAOYSA-N	-1	0	287.359	3.389	20	30		CGEDRM
C=CCn1c(=N)[n-]nc1SCc1cccc(C(F)F)c1	ZINC000356049528	527283976	/nfs/dbraw/zinc/28/39/76/527283976.db2.gz	YJJWPYFMAMLKIY-UHFFFAOYSA-N	-1	0	296.346	3.107	20	30		CGEDRM
CCC(CC)(CNc1ncc(Cl)c(C)c1C#N)C(=O)[O-]	ZINC000424375159	528696247	/nfs/dbraw/zinc/69/62/47/528696247.db2.gz	MLNRMLFGRYHSMG-UHFFFAOYSA-N	-1	0	295.770	3.218	20	30		CGEDRM
C=CCCC(=O)Nc1cccc(CN(CC)C(=O)[O-])c1	ZINC000738488537	571800820	/nfs/dbraw/zinc/80/08/20/571800820.db2.gz	LANARUSJPANXOP-UHFFFAOYSA-N	-1	0	276.336	3.091	20	30		CGEDRM
Cc1ncccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000728786176	571822029	/nfs/dbraw/zinc/82/20/29/571822029.db2.gz	UAVIXYMJNKYZQJ-SNAWJCMRSA-N	-1	0	273.313	3.046	20	30		CGEDRM
CC(C)OC(=O)C/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000729149263	571879094	/nfs/dbraw/zinc/87/90/94/571879094.db2.gz	ICTWHGYLVZMNNZ-WCSRMQSCSA-N	-1	0	290.146	3.070	20	30		CGEDRM
Cn1cc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21	ZINC000739025805	572404090	/nfs/dbraw/zinc/40/40/90/572404090.db2.gz	LJZNPMZTGJRCNR-SOFGYWHQSA-N	-1	0	295.294	3.366	20	30		CGEDRM
CC(C)[C@H](C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000739426209	572414296	/nfs/dbraw/zinc/41/42/96/572414296.db2.gz	KCAZOPSSSHEOHH-WWNSAXIVSA-N	-1	0	250.298	3.011	20	30		CGEDRM
O=C([O-])NC1CCC(N=Nc2ccc3ccccc3n2)CC1	ZINC000740551449	572445375	/nfs/dbraw/zinc/44/53/75/572445375.db2.gz	UADXBJICFHRRJR-UHFFFAOYSA-N	-1	0	298.346	3.213	20	30		CGEDRM
O=C([O-])NC[C@@H](/N=C\c1ccccc1O)C1CCCCC1	ZINC000740598942	572447854	/nfs/dbraw/zinc/44/78/54/572447854.db2.gz	XHVNVGQAOUQZNK-AYCSXLNKSA-N	-1	0	290.363	3.028	20	30		CGEDRM
CC(C)c1ocnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000732496515	572468692	/nfs/dbraw/zinc/46/86/92/572468692.db2.gz	XIAZXALPEOZWPN-JTQLQIEISA-N	-1	0	295.298	3.429	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cn1	ZINC000732713543	572478933	/nfs/dbraw/zinc/47/89/33/572478933.db2.gz	BOXPPVZMRTXDIV-ONEGZZNKSA-N	-1	0	290.344	3.120	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CCC2CC2)c1[O-]	ZINC000743044941	572636071	/nfs/dbraw/zinc/63/60/71/572636071.db2.gz	UWWCFFJBLZCWCQ-VGOFMYFVSA-N	-1	0	268.700	3.173	20	30		CGEDRM
Cc1ccc(F)c(C=NNc2ccccc2C(=O)[O-])c1	ZINC000734978694	572694422	/nfs/dbraw/zinc/69/44/22/572694422.db2.gz	RZUVQKQSJIPNLR-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
C[C@@H](CC(=O)[O-])SCc1cc(Cl)ccc1OCC#N	ZINC000736551258	572798314	/nfs/dbraw/zinc/79/83/14/572798314.db2.gz	CKPQFAARACNOCK-VIFPVBQESA-N	-1	0	299.779	3.339	20	30		CGEDRM
C[C@@H](CSCc1cc(Cl)ccc1OCC#N)C(=O)[O-]	ZINC000736614696	572800443	/nfs/dbraw/zinc/80/04/43/572800443.db2.gz	XSOLHRIMLIHTGV-VIFPVBQESA-N	-1	0	299.779	3.196	20	30		CGEDRM
C[C@H](c1ccc(C#N)cc1)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000736714286	572806341	/nfs/dbraw/zinc/80/63/41/572806341.db2.gz	GJSPEKPEVNFYNW-GFCCVEGCSA-N	-1	0	292.338	3.333	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccccc2C(F)(F)F)[nH]1	ZINC000749806560	573039993	/nfs/dbraw/zinc/03/99/93/573039993.db2.gz	FIEPVTYDFHNNNZ-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825671198	600964851	/nfs/dbraw/zinc/96/48/51/600964851.db2.gz	FKRBEXYUWDFIRU-UONOGXRCSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825671199	600965005	/nfs/dbraw/zinc/96/50/05/600965005.db2.gz	FKRBEXYUWDFIRU-ZIAGYGMSSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CCc1ccccc1OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825705306	601236267	/nfs/dbraw/zinc/23/62/67/601236267.db2.gz	BSLOSZOAFVTXAJ-KGLIPLIRSA-N	-1	0	288.343	3.212	20	30		CGEDRM
Cc1ccc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832923708	601330826	/nfs/dbraw/zinc/33/08/26/601330826.db2.gz	BDJVBBYSGJNZPZ-VURMDHGXSA-N	-1	0	269.300	3.226	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc(C)c1F	ZINC000832858235	601332579	/nfs/dbraw/zinc/33/25/79/601332579.db2.gz	ADLGSDZMSBVOGA-GQCTYLIASA-N	-1	0	287.290	3.365	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CN(CCC#N)CCC(C)C	ZINC000830362939	601422073	/nfs/dbraw/zinc/42/20/73/601422073.db2.gz	KPXUAUZCNWRTKB-UHFFFAOYSA-N	-1	0	292.379	3.302	20	30		CGEDRM
O=C(/C=C/c1ccnn1C1CCC1)c1ccc([O-])c(F)c1	ZINC000899353663	620650094	/nfs/dbraw/zinc/65/00/94/620650094.db2.gz	VOUGDFNEQDDQFD-FNORWQNLSA-N	-1	0	286.306	3.349	20	30		CGEDRM
Cc1cccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1C	ZINC000832963841	601793207	/nfs/dbraw/zinc/79/32/07/601793207.db2.gz	RWYYGZVUDRYKFE-VOTSOKGWSA-N	-1	0	269.300	3.226	20	30		CGEDRM
N#Cc1ccnc(SCc2ccc(C(=O)[O-])s2)c1	ZINC000236482994	601892549	/nfs/dbraw/zinc/89/25/49/601892549.db2.gz	IKYHFPGMVKPCIW-UHFFFAOYSA-N	-1	0	276.342	3.005	20	30		CGEDRM
Cc1ccc2c(c1)OCC/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832960682	601952132	/nfs/dbraw/zinc/95/21/32/601952132.db2.gz	RRPCZBOZFJQRJK-PKNBQFBNSA-N	-1	0	297.310	3.070	20	30		CGEDRM
C=CCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000825692436	602032833	/nfs/dbraw/zinc/03/28/33/602032833.db2.gz	UTKFMPHLMQIJBB-UHFFFAOYSA-N	-1	0	289.209	3.138	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1ccc(C(=O)[O-])cc1	ZINC000825664806	602180736	/nfs/dbraw/zinc/18/07/36/602180736.db2.gz	MCCFBERFZPXZME-UHFFFAOYSA-N	-1	0	260.289	3.059	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1ccc(C(=O)[O-])s1	ZINC000825664794	602283444	/nfs/dbraw/zinc/28/34/44/602283444.db2.gz	LTNBHAOIRCVBRX-UHFFFAOYSA-N	-1	0	280.345	3.258	20	30		CGEDRM
C=C(C)CCOC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000823474566	603518353	/nfs/dbraw/zinc/51/83/53/603518353.db2.gz	QAZZPAHFRJTCEE-UHFFFAOYSA-N	-1	0	267.256	3.039	20	30		CGEDRM
O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc(F)cc1[O-]	ZINC000899363432	620659504	/nfs/dbraw/zinc/65/95/04/620659504.db2.gz	MLVKXKNVYNEKLD-DAXSKMNVSA-N	-1	0	286.306	3.349	20	30		CGEDRM
N#Cc1ccccc1SCC1CCN(C(=O)[O-])CC1	ZINC000831156626	603632879	/nfs/dbraw/zinc/63/28/79/603632879.db2.gz	FNANYELMYIJWJK-UHFFFAOYSA-N	-1	0	276.361	3.040	20	30		CGEDRM
N#Cc1cccnc1Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000831156794	604201976	/nfs/dbraw/zinc/20/19/76/604201976.db2.gz	LAIGWVSCHYFFDH-UHFFFAOYSA-N	-1	0	294.314	3.127	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000104521244	604570227	/nfs/dbraw/zinc/57/02/27/604570227.db2.gz	IUEQJZDEQZNDPR-ZDUSSCGKSA-N	-1	0	269.385	3.203	20	30		CGEDRM
C=CCCC(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC000833373724	604572901	/nfs/dbraw/zinc/57/29/01/604572901.db2.gz	ZLKSRHXLGNOGQP-UHFFFAOYSA-N	-1	0	279.361	3.158	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccnc2Cl)cc1	ZINC000833309867	604628045	/nfs/dbraw/zinc/62/80/45/604628045.db2.gz	HNWNTMRDZWLUIO-BQYQJAHWSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CCn1nc(C)c(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1C	ZINC000830440557	604628973	/nfs/dbraw/zinc/62/89/73/604628973.db2.gz	AKFHTOAVBMWZSI-KTKRTIGZSA-N	-1	0	298.342	3.114	20	30		CGEDRM
CC(=NNc1ccc(F)cc1F)c1ccc(C(=O)[O-])cc1	ZINC000825809534	604633131	/nfs/dbraw/zinc/63/31/31/604633131.db2.gz	YPUQEOHKCWLTTO-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)s1	ZINC000763367670	604666160	/nfs/dbraw/zinc/66/61/60/604666160.db2.gz	FZONAVDYECEESG-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
CC1(C)CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763370200	604666762	/nfs/dbraw/zinc/66/67/62/604666762.db2.gz	MEPKCGIOSSBWMP-LLVKDONJSA-N	-1	0	275.352	3.394	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1	ZINC000833370369	604748355	/nfs/dbraw/zinc/74/83/55/604748355.db2.gz	COCQOLIUEJYRCJ-LBPRGKRZSA-N	-1	0	296.326	3.078	20	30		CGEDRM
CC(=NOCc1cccnc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814884481	604870675	/nfs/dbraw/zinc/87/06/75/604870675.db2.gz	YOWAJNXUUHPGAH-GFCCVEGCSA-N	-1	0	278.352	3.255	20	30		CGEDRM
C=C(CC)COC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000833370770	605014599	/nfs/dbraw/zinc/01/45/99/605014599.db2.gz	SSGUBTFMBDIIMD-LLVKDONJSA-N	-1	0	294.372	3.375	20	30		CGEDRM
C=CCSCc1coc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000833378126	605158722	/nfs/dbraw/zinc/15/87/22/605158722.db2.gz	KAFVCXCCZRIZFR-UHFFFAOYSA-N	-1	0	275.329	3.459	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C#N)s1	ZINC000762444554	605593651	/nfs/dbraw/zinc/59/36/51/605593651.db2.gz	YWRLCMUNUKPECR-UHFFFAOYSA-N	-1	0	285.328	3.154	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833361694	605607355	/nfs/dbraw/zinc/60/73/55/605607355.db2.gz	HRTRLNJCTQJVMX-UHFFFAOYSA-N	-1	0	277.295	3.046	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000833361704	605610145	/nfs/dbraw/zinc/61/01/45/605610145.db2.gz	HZCGHPSVTFXHAZ-UHFFFAOYSA-N	-1	0	277.295	3.046	20	30		CGEDRM
C#CCCCCCC(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000833361941	605673477	/nfs/dbraw/zinc/67/34/77/605673477.db2.gz	SORUFOWIMWFRIB-UHFFFAOYSA-N	-1	0	292.306	3.151	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1cc(C)ccc1Cl)C(=O)[O-]	ZINC000900325247	620781223	/nfs/dbraw/zinc/78/12/23/620781223.db2.gz	OTZIIERVGAUTDY-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(CCC)CC(=O)[O-])c1	ZINC000900355474	620781636	/nfs/dbraw/zinc/78/16/36/620781636.db2.gz	OAOABJPTKLJEHM-UHFFFAOYSA-N	-1	0	276.336	3.048	20	30		CGEDRM
O=C(/C=C\c1cccc2nccn21)c1ccc(F)cc1[O-]	ZINC000255331190	618207835	/nfs/dbraw/zinc/20/78/35/618207835.db2.gz	MLVMEVVJSKQNNS-ALCCZGGFSA-N	-1	0	282.274	3.075	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1O	ZINC000255368921	618240213	/nfs/dbraw/zinc/24/02/13/618240213.db2.gz	RVABCDPJDDIRAI-DJWKRKHSSA-N	-1	0	288.274	3.142	20	30		CGEDRM
Cc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1O	ZINC000255512203	618638780	/nfs/dbraw/zinc/63/87/80/618638780.db2.gz	PGWYHMATQUJCRC-UHFFFAOYSA-N	-1	0	272.260	3.065	20	30		CGEDRM
CN(C)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000255516181	618640897	/nfs/dbraw/zinc/64/08/97/618640897.db2.gz	VNGWUFSXFGJRPZ-UHFFFAOYSA-N	-1	0	285.303	3.117	20	30		CGEDRM
CCCCS[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176823413	618742001	/nfs/dbraw/zinc/74/20/01/618742001.db2.gz	FJXYIFMBCCUCOC-SNVBAGLBSA-N	-1	0	278.377	3.124	20	30		CGEDRM
O=C(C=Cc1ccc2c(c1)OCCO2)c1sccc1[O-]	ZINC000184516794	619053140	/nfs/dbraw/zinc/05/31/40/619053140.db2.gz	NPFBPURDUJIZAD-HNQUOIGGSA-N	-1	0	288.324	3.121	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NOCCC(F)(F)F	ZINC000777460176	619155260	/nfs/dbraw/zinc/15/52/60/619155260.db2.gz	VOPMPOGTJANPOL-UHFFFAOYSA-N	-1	0	285.624	3.488	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCCc1ccccc1	ZINC000048518622	619502710	/nfs/dbraw/zinc/50/27/10/619502710.db2.gz	PNLQVXVZISZFFO-UHFFFAOYSA-N	-1	0	283.393	3.096	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048518821	619503122	/nfs/dbraw/zinc/50/31/22/619503122.db2.gz	ZANLKRZRAMBXGX-UHFFFAOYSA-N	-1	0	287.356	3.048	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519760	619503690	/nfs/dbraw/zinc/50/36/90/619503690.db2.gz	LUVKYFPOYAMLGE-UHFFFAOYSA-N	-1	0	295.404	3.401	20	30		CGEDRM
CC(N=Nc1cccc(Cl)n1)c1cccc(C(=O)[O-])c1	ZINC000793175421	619702270	/nfs/dbraw/zinc/70/22/70/619702270.db2.gz	UMYQETDLDTVWEQ-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
C=CC(C)(C)CC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000909464909	619750057	/nfs/dbraw/zinc/75/00/57/619750057.db2.gz	QEWGFFXKNSZMAE-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C1CCC(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1	ZINC000909488948	619763390	/nfs/dbraw/zinc/76/33/90/619763390.db2.gz	UEUCXAFNWCOGJN-AWEZNQCLSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909521783	619831254	/nfs/dbraw/zinc/83/12/54/619831254.db2.gz	XFBPDMQBJDHFPS-GFCCVEGCSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000073086864	625429771	/nfs/dbraw/zinc/42/97/71/625429771.db2.gz	QFCOSVNNRXYETF-UHFFFAOYSA-N	-1	0	279.770	3.013	20	30		CGEDRM
CCCCCCCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000104149002	620546707	/nfs/dbraw/zinc/54/67/07/620546707.db2.gz	BGNVHQUYTUYXRS-UONOGXRCSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000901261401	620849577	/nfs/dbraw/zinc/84/95/77/620849577.db2.gz	GVWSMJGIXHXSLL-LLVKDONJSA-N	-1	0	285.347	3.074	20	30		CGEDRM
C=CC[C@@H](C)[C@@H](C)Nc1cccc(OCC(=O)[O-])c1	ZINC000901577308	620944378	/nfs/dbraw/zinc/94/43/78/620944378.db2.gz	ARMMKVRQLIQVKO-VXGBXAGGSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C[C@@H](NCc1nc(C(C)(C)C)co1)c1cccc(C#N)c1[O-]	ZINC000903313011	621685068	/nfs/dbraw/zinc/68/50/68/621685068.db2.gz	FQWQOLGXFOPHHK-LLVKDONJSA-N	-1	0	299.374	3.400	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-]	ZINC000905015055	622028333	/nfs/dbraw/zinc/02/83/33/622028333.db2.gz	BTYSPOMMSOVJES-GFCCVEGCSA-N	-1	0	296.754	3.271	20	30		CGEDRM
Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])s1	ZINC000149043296	622122065	/nfs/dbraw/zinc/12/20/65/622122065.db2.gz	HEIQSCVOQQLHCK-FNORWQNLSA-N	-1	0	260.314	3.364	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000907681781	622306863	/nfs/dbraw/zinc/30/68/63/622306863.db2.gz	RBFAQOASACGLLX-VXGBXAGGSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000907750747	622310546	/nfs/dbraw/zinc/31/05/46/622310546.db2.gz	UEAMTTYYFDYWSK-CHWSQXEVSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000907856563	622314394	/nfs/dbraw/zinc/31/43/94/622314394.db2.gz	YRQQQLCCGVJSGK-ZDUSSCGKSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000909745939	622423518	/nfs/dbraw/zinc/42/35/18/622423518.db2.gz	FUWRZFARMGVFPP-ZDUSSCGKSA-N	-1	0	289.375	3.091	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000909836449	622429745	/nfs/dbraw/zinc/42/97/45/622429745.db2.gz	PTAPBEAXGPQONB-BZNIZROVSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000910914502	622508705	/nfs/dbraw/zinc/50/87/05/622508705.db2.gz	LDMMPVYYFGHXAI-CQSZACIVSA-N	-1	0	289.375	3.151	20	30		CGEDRM
C=C[C@@H](CC(=O)N(CCC)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000911719650	622545241	/nfs/dbraw/zinc/54/52/41/622545241.db2.gz	UCZZVUUZOQEFSC-KBPBESRZSA-N	-1	0	289.375	3.058	20	30		CGEDRM
O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000156598259	622825916	/nfs/dbraw/zinc/82/59/16/622825916.db2.gz	RKWUTZLQESBBFT-AATRIKPKSA-N	-1	0	275.285	3.258	20	30		CGEDRM
COCCOc1ccccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000156599235	622827616	/nfs/dbraw/zinc/82/76/16/622827616.db2.gz	HCYNONFLRYHUGS-ZHACJKMWSA-N	-1	0	298.338	3.314	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000089979599	623470698	/nfs/dbraw/zinc/47/06/98/623470698.db2.gz	QLWMNFAPVQAQCF-YWEYNIOJSA-N	-1	0	287.768	3.260	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOC[C@H]1CCOC1	ZINC000788032619	623872083	/nfs/dbraw/zinc/87/20/83/623872083.db2.gz	CGWPRGCQOMOYBM-QMMMGPOBSA-N	-1	0	290.146	3.086	20	30		CGEDRM
CCC(C[C@H](C)CC)=NNc1cnnc([O-])c1Cl	ZINC000915957664	624079311	/nfs/dbraw/zinc/07/93/11/624079311.db2.gz	QGDVMAZUVNHOFR-MRVPVSSYSA-N	-1	0	270.764	3.450	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccs1	ZINC000916240457	624123831	/nfs/dbraw/zinc/12/38/31/624123831.db2.gz	CRGHQXKKYMAFKV-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
Oc1cccc(Cl)c1C=NNCc1ccccc1	ZINC000755564198	626629303	/nfs/dbraw/zinc/62/93/03/626629303.db2.gz	LOBNMWYTWXHTNV-UHFFFAOYSA-N	-1	0	260.724	3.169	20	30		CGEDRM
CCC(=NNc1ccccn1)c1cc(C(=O)[O-])ccc1F	ZINC000756876477	626739162	/nfs/dbraw/zinc/73/91/62/626739162.db2.gz	JIAABIIIPKFSSH-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
CC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756906260	626740222	/nfs/dbraw/zinc/74/02/22/626740222.db2.gz	XGZWLYWPYNOWNY-SNVBAGLBSA-N	-1	0	276.336	3.371	20	30		CGEDRM
Cc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1F	ZINC000757473599	626781717	/nfs/dbraw/zinc/78/17/17/626781717.db2.gz	ZFBWBZOGJWUWDA-XVNBXDOJSA-N	-1	0	272.275	3.441	20	30		CGEDRM
CCC1(CC)C(N=Nc2cccc(C(=O)[O-])c2)C[C@@H]1OC	ZINC000762603067	627117137	/nfs/dbraw/zinc/11/71/37/627117137.db2.gz	KIVSHHGCUDRPME-AWEZNQCLSA-N	-1	0	290.363	3.378	20	30		CGEDRM
CC(C)(C#N)CCOC(=O)c1ccc([O-])c(Cl)c1	ZINC000762820961	627126081	/nfs/dbraw/zinc/12/60/81/627126081.db2.gz	BNFDDPLZCHNLAC-UHFFFAOYSA-N	-1	0	267.712	3.142	20	30		CGEDRM
CC[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763369272	627154319	/nfs/dbraw/zinc/15/43/19/627154319.db2.gz	UVYRFDDDBJZQIC-SNVBAGLBSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C[C@H](CCN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763377697	627154885	/nfs/dbraw/zinc/15/48/85/627154885.db2.gz	UWVDWIRYCHKJJB-GFCCVEGCSA-N	-1	0	283.331	3.371	20	30		CGEDRM
CC1(C)CCCN(C(=O)c2cccc(Cl)c2[O-])[C@H]1C#N	ZINC000765778264	627270424	/nfs/dbraw/zinc/27/04/24/627270424.db2.gz	YHGPFEVSJNQLTL-LBPRGKRZSA-N	-1	0	292.766	3.200	20	30		CGEDRM
COc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000765822923	627273759	/nfs/dbraw/zinc/27/37/59/627273759.db2.gz	BXIZPRJQXHYMSW-HJWRWDBZSA-N	-1	0	282.295	3.290	20	30		CGEDRM
COc1cccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000765826376	627274423	/nfs/dbraw/zinc/27/44/23/627274423.db2.gz	QXMYKMDXDKLAIV-AATRIKPKSA-N	-1	0	288.324	3.351	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C[C@H]1C	ZINC000767384780	627404420	/nfs/dbraw/zinc/40/44/20/627404420.db2.gz	BPHQDOPELYSZQV-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC[C@@H]1C[C@H](C)CCC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000769566887	627566830	/nfs/dbraw/zinc/56/68/30/627566830.db2.gz	LXPKNGNXFBWRLN-MWLCHTKSSA-N	-1	0	262.357	3.105	20	30		CGEDRM
C=CCN(C(=O)c1c(O)cccc1Cl)C(C)C	ZINC000769762504	627576345	/nfs/dbraw/zinc/57/63/45/627576345.db2.gz	JEFZIEPCPJMJGS-UHFFFAOYSA-N	-1	0	253.729	3.082	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1Cl	ZINC000769741957	627575682	/nfs/dbraw/zinc/57/56/82/627575682.db2.gz	NJKLSEMHAREKAJ-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
N#Cc1ccc(CNN=Cc2cccc(Cl)c2[O-])cc1	ZINC000769820599	627580815	/nfs/dbraw/zinc/58/08/15/627580815.db2.gz	IYJRWPYOPBXWDX-UHFFFAOYSA-N	-1	0	285.734	3.041	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CC23CCCCC3)c1	ZINC000770568783	627626763	/nfs/dbraw/zinc/62/67/63/627626763.db2.gz	NKWHVEQYQRNOCX-KNGSKEOJSA-N	-1	0	274.320	3.442	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)Nc1c([O-])cccc1F	ZINC000770861569	627649030	/nfs/dbraw/zinc/64/90/30/627649030.db2.gz	JGMOHDDOUUUIJO-HJWRWDBZSA-N	-1	0	282.274	3.055	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])c(F)c1	ZINC000772801633	627824642	/nfs/dbraw/zinc/82/46/42/627824642.db2.gz	MPCTYFFNGJIWRF-HYXAFXHYSA-N	-1	0	285.249	3.438	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1)C2	ZINC000774128651	627948889	/nfs/dbraw/zinc/94/88/89/627948889.db2.gz	BPOAFXWQONUKKN-RIYZIHGNSA-N	-1	0	294.306	3.216	20	30		CGEDRM
COc1cccc2c1C/C(=C\c1cccc(C(=O)[O-])c1)C2=O	ZINC000774137485	627949392	/nfs/dbraw/zinc/94/93/92/627949392.db2.gz	WNXHSIWZKBRVLX-UKTHLTGXSA-N	-1	0	294.306	3.216	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOC2CCCC2)c1[O-]	ZINC000774609123	628008580	/nfs/dbraw/zinc/00/85/80/628008580.db2.gz	SHVKGRFOVUWBNB-UHFFFAOYSA-N	-1	0	284.699	3.247	20	30		CGEDRM
Cc1ccncc1CCCN=Nc1ccccc1C(=O)[O-]	ZINC000776724601	628227506	/nfs/dbraw/zinc/22/75/06/628227506.db2.gz	OQXOMBSPBRLGDO-UHFFFAOYSA-N	-1	0	283.331	3.119	20	30		CGEDRM
O=C([O-])c1cc(NN=Cc2ccc(F)nc2)ccc1Cl	ZINC000777419171	628268726	/nfs/dbraw/zinc/26/87/26/628268726.db2.gz	UOKDCRZUSXEBER-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)C1CCSCC1	ZINC000777419884	628268988	/nfs/dbraw/zinc/26/89/88/628268988.db2.gz	DUZCYQYOLJAAND-UHFFFAOYSA-N	-1	0	278.377	3.316	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1F	ZINC000778544759	628355579	/nfs/dbraw/zinc/35/55/79/628355579.db2.gz	KQMMCJLKPIVRHI-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
Cc1cncc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000782207600	628624792	/nfs/dbraw/zinc/62/47/92/628624792.db2.gz	PTRMIVNPHJACGM-IHWYPQMZSA-N	-1	0	273.313	3.046	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2cc(F)ccc2[O-])s1	ZINC000783710416	628742164	/nfs/dbraw/zinc/74/21/64/628742164.db2.gz	HJWGCZJPYWJSSA-WAYWQWQTSA-N	-1	0	277.320	3.446	20	30		CGEDRM
N#Cc1cccc(NN=Cc2ccc(C(=O)[O-])cc2Cl)c1	ZINC000783820340	628749556	/nfs/dbraw/zinc/74/95/56/628749556.db2.gz	CVDVWVUGLJBSOS-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cccc3cc[nH]c32)c1	ZINC000786028283	628907885	/nfs/dbraw/zinc/90/78/85/628907885.db2.gz	UGMTXWZPOHCOAN-LICLKQGHSA-N	-1	0	295.298	3.401	20	30		CGEDRM
C#C[C@@H](CCC)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790098016	629183876	/nfs/dbraw/zinc/18/38/76/629183876.db2.gz	DHBHYPXJIXTFCQ-LWHXSLQUSA-N	-1	0	280.711	3.175	20	30		CGEDRM
Cc1nc(C)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000792871569	629389228	/nfs/dbraw/zinc/38/92/28/629389228.db2.gz	HKROVNOIXUOYIT-UHFFFAOYSA-N	-1	0	293.710	3.089	20	30		CGEDRM
CC[C@H](NN=C(C)CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000793070769	629407383	/nfs/dbraw/zinc/40/73/83/629407383.db2.gz	DSQJTSFOPIQXSF-AWEZNQCLSA-N	-1	0	276.380	3.183	20	30		CGEDRM
CC[C@H](NN=CC1CCC(C(C)(C)C)CC1)C(=O)[O-]	ZINC000793072711	629408152	/nfs/dbraw/zinc/40/81/52/629408152.db2.gz	VSXKOLLFQUKCCP-BPCQOVAHSA-N	-1	0	268.401	3.278	20	30		CGEDRM
CC[C@H](NN=C(C)CCc1ccc(Cl)s1)C(=O)[O-]	ZINC000793082317	629409556	/nfs/dbraw/zinc/40/95/56/629409556.db2.gz	VKJZDGZPYXEDHW-JTQLQIEISA-N	-1	0	288.800	3.163	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000793158153	629418018	/nfs/dbraw/zinc/41/80/18/629418018.db2.gz	DIKIXHVFGXCLJB-VIFPVBQESA-N	-1	0	266.297	3.087	20	30		CGEDRM
Cc1cnn(C)c1/C=C/C(=O)c1ccc2ccccc2c1[O-]	ZINC000794699788	629569114	/nfs/dbraw/zinc/56/91/14/629569114.db2.gz	GMFQVBBSDOGILS-MDZDMXLPSA-N	-1	0	292.338	3.483	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@@H]1CCF	ZINC000794923246	629599377	/nfs/dbraw/zinc/59/93/77/629599377.db2.gz	NHWFRSJTWBSVIB-SNVBAGLBSA-N	-1	0	294.326	3.321	20	30		CGEDRM
O=C(C=Cc1c(F)ccc(O)c1F)c1sccc1[O-]	ZINC000794944427	629603955	/nfs/dbraw/zinc/60/39/55/629603955.db2.gz	GRJWHULACLFBPB-HNQUOIGGSA-N	-1	0	282.267	3.334	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cscn1	ZINC000794945596	629605090	/nfs/dbraw/zinc/60/50/90/629605090.db2.gz	ISZXROKJUGDGAG-ONEGZZNKSA-N	-1	0	287.340	3.354	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)c1cccc(C(C)C)c1)C(=O)[O-]	ZINC000864186910	629794509	/nfs/dbraw/zinc/79/45/09/629794509.db2.gz	ZIOUBTBBIGNCAJ-ZDUSSCGKSA-N	-1	0	295.766	3.136	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCC[C@@H]2F)c1	ZINC000864346920	629814942	/nfs/dbraw/zinc/81/49/42/629814942.db2.gz	GXXANCGKBOEBNH-QPVXSDEHSA-N	-1	0	266.272	3.000	20	30		CGEDRM
CC(C)(F)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000864347289	629816024	/nfs/dbraw/zinc/81/60/24/629816024.db2.gz	OANQFPXUSDFPDR-LHHJGKSTSA-N	-1	0	274.679	3.121	20	30		CGEDRM
Cc1[nH]c(C=NNc2ccc(Cl)cc2)cc1C(=O)[O-]	ZINC000800803453	630299886	/nfs/dbraw/zinc/29/98/86/630299886.db2.gz	HJKDZNVJCSQANR-UHFFFAOYSA-N	-1	0	277.711	3.121	20	30		CGEDRM
CC(C)CCC(=NNc1cnnc([O-])c1Cl)C1CC1	ZINC000802710636	630405232	/nfs/dbraw/zinc/40/52/32/630405232.db2.gz	ZLHVUQLOPULMTA-UHFFFAOYSA-N	-1	0	282.775	3.450	20	30		CGEDRM
C=CCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837687	630600513	/nfs/dbraw/zinc/60/05/13/630600513.db2.gz	AEYUTRVFLVNKMA-UHFFFAOYSA-N	-1	0	274.147	3.281	20	30		CGEDRM
CC(C)(C)[C@H]1CCC1=NNc1cnnc([O-])c1Cl	ZINC000807959761	630608714	/nfs/dbraw/zinc/60/87/14/630608714.db2.gz	ZJPLLYFLAJLZFM-ZETCQYMHSA-N	-1	0	268.748	3.060	20	30		CGEDRM
N#Cc1c(F)cccc1C=CC(=O)c1sccc1[O-]	ZINC000811694958	631111097	/nfs/dbraw/zinc/11/10/97/631111097.db2.gz	YEQBBLXIDIQOIN-SNAWJCMRSA-N	-1	0	273.288	3.361	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000812441892	631261781	/nfs/dbraw/zinc/26/17/81/631261781.db2.gz	IHJQQWCMDPQRGX-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCCC1	ZINC000837046515	634847158	/nfs/dbraw/zinc/84/71/58/634847158.db2.gz	LXQQCFCWVLXCRQ-UHFFFAOYSA-N	-1	0	289.375	3.049	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2CC[C@H]2C2CCC2)c1	ZINC000814687239	631622683	/nfs/dbraw/zinc/62/26/83/631622683.db2.gz	DBINGEYXKJYMIB-ZDUSSCGKSA-N	-1	0	258.321	3.363	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)CS1	ZINC000814687951	631624006	/nfs/dbraw/zinc/62/40/06/631624006.db2.gz	YLKUFKBGDWFOAV-ZDUSSCGKSA-N	-1	0	278.377	3.314	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1nncc2ccccc21	ZINC000814704553	631625943	/nfs/dbraw/zinc/62/59/43/631625943.db2.gz	WLFZZYSTPVDPKM-UHFFFAOYSA-N	-1	0	298.346	3.063	20	30		CGEDRM
O=C([O-])c1cccc(C=Nn2cnc3ccccc32)c1Cl	ZINC000814779474	631638122	/nfs/dbraw/zinc/63/81/22/631638122.db2.gz	NDRIVOWCTHMKIE-UHFFFAOYSA-N	-1	0	299.717	3.270	20	30		CGEDRM
CCON=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000814788484	631639779	/nfs/dbraw/zinc/63/97/79/631639779.db2.gz	WRHSQHFHWFZWQG-UHFFFAOYSA-N	-1	0	275.304	3.129	20	30		CGEDRM
O=C([O-])c1cccc2c1CC(=NOCc1ccccc1)CC2	ZINC000814792909	631641112	/nfs/dbraw/zinc/64/11/12/631641112.db2.gz	YSQNERXKBATKJO-UHFFFAOYSA-N	-1	0	295.338	3.446	20	30		CGEDRM
C[C@H]1C(N=NCc2cccc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000814867813	631659738	/nfs/dbraw/zinc/65/97/38/631659738.db2.gz	OTOTXQOMHHSJHZ-PWSUYJOCSA-N	-1	0	294.782	3.306	20	30		CGEDRM
O=C([O-])c1cccc(C=NOCc2ccc(F)cc2)c1	ZINC000814903713	631673748	/nfs/dbraw/zinc/67/37/48/631673748.db2.gz	WVXUUEUWESUCOG-UHFFFAOYSA-N	-1	0	273.263	3.075	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOC/C=C\Cl	ZINC000814934394	631689912	/nfs/dbraw/zinc/68/99/12/631689912.db2.gz	UBKNJGJAHKVDTC-CVBINVGWSA-N	-1	0	267.712	3.105	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc(F)c2ccccc12)C(=O)[O-]	ZINC000814936632	631690426	/nfs/dbraw/zinc/69/04/26/631690426.db2.gz	CPRBEJXDVMGSDU-HNNXBMFYSA-N	-1	0	288.322	3.156	20	30		CGEDRM
N#CC1(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000816682371	632041321	/nfs/dbraw/zinc/04/13/21/632041321.db2.gz	WNRSCCOAVSGJLX-UHFFFAOYSA-N	-1	0	299.157	3.009	20	30		CGEDRM
C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1[O-]	ZINC000866357429	633098297	/nfs/dbraw/zinc/09/82/97/633098297.db2.gz	DOSCVTIVKBEQGP-SDBXPKJASA-N	-1	0	284.281	3.255	20	30		CGEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])C1CCC1	ZINC000827828945	633522934	/nfs/dbraw/zinc/52/29/34/633522934.db2.gz	HMYPGRYCISIWTA-UHFFFAOYSA-N	-1	0	258.321	3.029	20	30		CGEDRM
CCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCCC1	ZINC000870691382	633627969	/nfs/dbraw/zinc/62/79/69/633627969.db2.gz	JQXJTAJJJBMPLB-UHFFFAOYSA-N	-1	0	272.348	3.329	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830337114	633852363	/nfs/dbraw/zinc/85/23/63/633852363.db2.gz	MYMHMNVBGZRNMB-JTQLQIEISA-N	-1	0	279.311	3.275	20	30		CGEDRM
CC1=CC[C@](C)(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000831271860	633935391	/nfs/dbraw/zinc/93/53/91/633935391.db2.gz	NEJMDUMPXDZUBA-INIZCTEOSA-N	-1	0	270.332	3.339	20	30		CGEDRM
CC1(C)CCC(NN=Cc2ccccc2C(=O)[O-])CC1	ZINC000872394194	634130936	/nfs/dbraw/zinc/13/09/36/634130936.db2.gz	BUOVMISTVRJIDF-UHFFFAOYSA-N	-1	0	274.364	3.277	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000872752922	634202559	/nfs/dbraw/zinc/20/25/59/634202559.db2.gz	QHOHNANULUUHIW-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
C[C@H]1O[C@@H](C)CC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000834915998	634286189	/nfs/dbraw/zinc/28/61/89/634286189.db2.gz	SKONYJWFLHKCFG-JGVFFNPUSA-N	-1	0	282.727	3.003	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H](C)O1	ZINC000834915996	634286224	/nfs/dbraw/zinc/28/62/24/634286224.db2.gz	SKONYJWFLHKCFG-HTQZYQBOSA-N	-1	0	282.727	3.003	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H](C)O1	ZINC000834916000	634286704	/nfs/dbraw/zinc/28/67/04/634286704.db2.gz	SKONYJWFLHKCFG-YUMQZZPRSA-N	-1	0	282.727	3.003	20	30		CGEDRM
CC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCC1	ZINC000835008524	634312660	/nfs/dbraw/zinc/31/26/60/634312660.db2.gz	GNSFHJBEZNLGQR-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@@H]1CC[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009519	634314550	/nfs/dbraw/zinc/31/45/50/634314550.db2.gz	USSCCWICGZQQGE-NXEZZACHSA-N	-1	0	264.300	3.358	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC=CCC2)c(F)c1	ZINC000835012574	634315847	/nfs/dbraw/zinc/31/58/47/634315847.db2.gz	RCQKXSQYOVBFKC-SNVBAGLBSA-N	-1	0	262.284	3.278	20	30		CGEDRM
CC[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000835039614	634329779	/nfs/dbraw/zinc/32/97/79/634329779.db2.gz	HUPZPMGMQFRESN-BNOWGMLFSA-N	-1	0	294.354	3.414	20	30		CGEDRM
C[C@@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl	ZINC000843569412	635708671	/nfs/dbraw/zinc/70/86/71/635708671.db2.gz	BQKLPTBKVVUEIE-LURJTMIESA-N	-1	0	293.100	3.113	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cc(F)ccc2F)c1	ZINC000105356180	635785731	/nfs/dbraw/zinc/78/57/31/635785731.db2.gz	CRJNHCDRGAVIKO-CAOOACKPSA-N	-1	0	292.241	3.198	20	30		CGEDRM
Cc1c(N=NC[C@@]2(C)CCCS2)cccc1C(=O)[O-]	ZINC000844623420	635945440	/nfs/dbraw/zinc/94/54/40/635945440.db2.gz	NHJPYBQETVGZGW-CQSZACIVSA-N	-1	0	278.377	3.377	20	30		CGEDRM
N#CC(C(=O)CC1CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845836459	636105474	/nfs/dbraw/zinc/10/54/74/636105474.db2.gz	CRIRIXNIYOCVSO-LBPRGKRZSA-N	-1	0	287.384	3.319	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(C)cc2)CCC1	ZINC000846534662	636194148	/nfs/dbraw/zinc/19/41/48/636194148.db2.gz	WSDVASYZJOFZBR-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(F)cc2F)CCCC1	ZINC000846547138	636199273	/nfs/dbraw/zinc/19/92/73/636199273.db2.gz	IOHIOACOEQLICE-LLVKDONJSA-N	-1	0	295.329	3.399	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	ZINC000846550387	636199743	/nfs/dbraw/zinc/19/97/43/636199743.db2.gz	OSCKIKXPVRAYJC-GHMZBOCLSA-N	-1	0	283.755	3.038	20	30		CGEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H]1CC1(C)C	ZINC000848414324	636570749	/nfs/dbraw/zinc/57/07/49/636570749.db2.gz	LWMZEPLGUQRSTB-CYBMUJFWSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CCCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086054492	636779480	/nfs/dbraw/zinc/77/94/80/636779480.db2.gz	UFLCTCUXKPMFLT-UHFFFAOYSA-N	-1	0	295.404	3.216	20	30		CGEDRM
Cc1cccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])c1C#N	ZINC000849475675	636826061	/nfs/dbraw/zinc/82/60/61/636826061.db2.gz	DSWROJWAGJZNME-UHFFFAOYSA-N	-1	0	283.331	3.183	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000884368687	637015514	/nfs/dbraw/zinc/01/55/14/637015514.db2.gz	FULHEPYEOCNYNV-AWEZNQCLSA-N	-1	0	276.336	3.132	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000884368688	637015770	/nfs/dbraw/zinc/01/57/70/637015770.db2.gz	FULHEPYEOCNYNV-CQSZACIVSA-N	-1	0	276.336	3.132	20	30		CGEDRM
CCCCCCCCC(=O)NOCC(F)(F)F	ZINC000135208846	637097162	/nfs/dbraw/zinc/09/71/62/637097162.db2.gz	DBAXPXSJVBDRCA-UHFFFAOYSA-N	-1	0	255.280	3.347	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CC2)cc1	ZINC000850751540	637145119	/nfs/dbraw/zinc/14/51/19/637145119.db2.gz	CXLTWMWRMAZUBP-INIZCTEOSA-N	-1	0	298.386	3.193	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)CCC(=O)[O-])c1ccccc1	ZINC000887314932	637794524	/nfs/dbraw/zinc/79/45/24/637794524.db2.gz	IPKQXFPATATCRG-CQSZACIVSA-N	-1	0	275.348	3.065	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CCCSCC1	ZINC000853280677	637800141	/nfs/dbraw/zinc/80/01/41/637800141.db2.gz	OBXDROXZAHQKJI-UHFFFAOYSA-N	-1	0	264.350	3.070	20	30		CGEDRM
O=c1[n-]c(N=NC2CCCC23CC3)nc2ccccc21	ZINC000853319582	637808208	/nfs/dbraw/zinc/80/82/08/637808208.db2.gz	YDERWVNKOIXSSG-UHFFFAOYSA-N	-1	0	268.320	3.067	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCCC12CC2	ZINC000853324695	637810519	/nfs/dbraw/zinc/81/05/19/637810519.db2.gz	CIKHBUWNXDKDHG-UHFFFAOYSA-N	-1	0	274.320	3.125	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc(Cl)cn1	ZINC000853435899	637840969	/nfs/dbraw/zinc/84/09/69/637840969.db2.gz	UQBPIYLMJZRSHH-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)COc1cc(C)ccc1C(C)C	ZINC000856028344	638285835	/nfs/dbraw/zinc/28/58/35/638285835.db2.gz	QWPSZPYYVJLSOU-UHFFFAOYSA-N	-1	0	277.364	3.121	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccccc2)CCCC1	ZINC000856030103	638286959	/nfs/dbraw/zinc/28/69/59/638286959.db2.gz	PEFBVDJNJFIKNW-UHFFFAOYSA-N	-1	0	259.349	3.122	20	30		CGEDRM
N#Cc1ccc(C2(C(=O)[N-]OCCC3CC3)CCCC2)cc1	ZINC000861823219	639616833	/nfs/dbraw/zinc/61/68/33/639616833.db2.gz	GIIIJYZXQFBRBM-UHFFFAOYSA-N	-1	0	298.386	3.218	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)C2CC2)c1	ZINC000159384001	640042702	/nfs/dbraw/zinc/04/27/02/640042702.db2.gz	LJWSSEOPTUCIRM-KRWDZBQOSA-N	-1	0	292.338	3.396	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)s1	ZINC000049135138	640084654	/nfs/dbraw/zinc/08/46/54/640084654.db2.gz	YEIYTQGURJOIIV-MRVPVSSYSA-N	-1	0	287.406	3.138	20	30		CGEDRM
N#Cc1cc(NC(=O)c2c3cc[nH]c3ccc2F)ccc1O	ZINC001155431962	805581812	/nfs/dbraw/zinc/58/18/12/805581812.db2.gz	BDZSYEKAMKPDPS-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#Cc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001250587225	805710261	/nfs/dbraw/zinc/71/02/61/805710261.db2.gz	HCTHLVLMCGMGNP-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
O=C(CCc1nnc(Cc2ccc(F)cc2)o1)C1=CC=C[CH]1	ZINC001251908601	805951303	/nfs/dbraw/zinc/95/13/03/805951303.db2.gz	HETNAFBVRPZGSD-UHFFFAOYSA-N	-1	0	297.309	3.002	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cccc2C#N)ccc1C(=O)[O-]	ZINC001211657276	814927341	/nfs/dbraw/zinc/92/73/41/814927341.db2.gz	JNYMPSDIJPRKNN-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
CCCCS(=O)(=O)[N-]c1c(C#N)ccc2ccccc21	ZINC001253843282	806316158	/nfs/dbraw/zinc/31/61/58/806316158.db2.gz	JAYBUKGQIOWNQZ-UHFFFAOYSA-N	-1	0	288.372	3.253	20	30		CGEDRM
Cc1cc(C)nc([N-]N=C2c3ccc(C)c(C)c3NC2=O)n1	ZINC000024034892	798838880	/nfs/dbraw/zinc/83/88/80/798838880.db2.gz	GNVNQHZQUCPUAT-UHFFFAOYSA-N	-1	0	295.346	3.128	20	30		CGEDRM
N#CCc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000313463747	799231945	/nfs/dbraw/zinc/23/19/45/799231945.db2.gz	PPEDSBGPGXVQRF-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
C#Cc1cccc([N-]S(=O)(=O)c2sc(C)cc2C)c1	ZINC000388864483	799456351	/nfs/dbraw/zinc/45/63/51/799456351.db2.gz	DHRCPOULFOJZOC-UHFFFAOYSA-N	-1	0	291.397	3.147	20	30		CGEDRM
N#Cc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000588495651	799702244	/nfs/dbraw/zinc/70/22/44/799702244.db2.gz	CBXFRAWISSMUTI-PLNGDYQASA-N	-1	0	255.298	3.221	20	30		CGEDRM
C[C@H]1c2ccccc2C(=O)/C1=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809157033	800414386	/nfs/dbraw/zinc/41/43/86/800414386.db2.gz	PVLATQFPRZDZQS-CEITULEQSA-N	-1	0	294.306	3.474	20	30		CGEDRM
CC(C)c1ncsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122649723	802878506	/nfs/dbraw/zinc/87/85/06/802878506.db2.gz	LWQLULDATWPJTD-SECBINFHSA-N	-1	0	289.335	3.291	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001123383491	802938946	/nfs/dbraw/zinc/93/89/46/802938946.db2.gz	BCHJEYWHNUCWQP-UHFFFAOYSA-N	-1	0	277.320	3.078	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)c([O-])c(F)c1)CCC2	ZINC001244094536	803182640	/nfs/dbraw/zinc/18/26/40/803182640.db2.gz	HCNDBWBLFSUAQI-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
Cc1nc(-c2cc(F)c([O-])c(F)c2)ccc1CC#N	ZINC001244095147	803183183	/nfs/dbraw/zinc/18/31/83/803183183.db2.gz	OCSPYXBAAWQKKE-UHFFFAOYSA-N	-1	0	260.243	3.107	20	30		CGEDRM
COc1ccc(-c2cc(OC)cc(C(=O)[O-])c2)c(CC#N)c1	ZINC001244170551	803221900	/nfs/dbraw/zinc/22/19/00/803221900.db2.gz	AHERZMBBZDJHMJ-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(C3(C#N)CC3)cn2)c1	ZINC001244176570	803225564	/nfs/dbraw/zinc/22/55/64/803225564.db2.gz	WHEISRRMMFRXGV-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cccc(CC#N)c2F)c1	ZINC001244175544	803226119	/nfs/dbraw/zinc/22/61/19/803226119.db2.gz	DKFMNEZPZBZZPY-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(F)c(C#N)c2F)c1	ZINC001244175997	803226164	/nfs/dbraw/zinc/22/61/64/803226164.db2.gz	PWDQYRLAQQXVME-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1nc(-c2cc(F)c([O-])c(Cl)c2)ccc1C#N	ZINC001244501793	803407998	/nfs/dbraw/zinc/40/79/98/803407998.db2.gz	WHLZNHOQOLDHSZ-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1ccc(C#N)c(-c2cc(F)c([O-])c(Cl)c2)n1	ZINC001244504493	803410517	/nfs/dbraw/zinc/41/05/17/803410517.db2.gz	OXOWUBAGECALPQ-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1c(F)c([O-])ccc1Cl	ZINC001244538115	803425865	/nfs/dbraw/zinc/42/58/65/803425865.db2.gz	JICDNBRJKMSEKW-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1ccc(C#N)c(-c2cc(C)c([O-])c(Cl)c2)n1	ZINC001244556513	803437317	/nfs/dbraw/zinc/43/73/17/803437317.db2.gz	TZMDVKYVXNRGHF-UHFFFAOYSA-N	-1	0	274.707	3.296	20	30		CGEDRM
N#Cc1c(F)cncc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244614693	803464766	/nfs/dbraw/zinc/46/47/66/803464766.db2.gz	ZFZPYPNVNCLBQT-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
N#CCCc1cccc(-c2cnc(F)c(C(=O)[O-])c2)c1	ZINC001244753479	803519981	/nfs/dbraw/zinc/51/99/81/803519981.db2.gz	OMLWNLDMILGXPO-UHFFFAOYSA-N	-1	0	270.263	3.042	20	30		CGEDRM
Cc1cc(-c2ccnc(CC#N)c2)cc(C)c1C(=O)[O-]	ZINC001244949046	803587867	/nfs/dbraw/zinc/58/78/67/803587867.db2.gz	PXNGERDBTXWHCD-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1cc(-c2cc(CC(=O)[O-])ccc2F)cc(F)c1C#N	ZINC001245319256	803699948	/nfs/dbraw/zinc/69/99/48/803699948.db2.gz	VQOHZFUKIINGCS-UHFFFAOYSA-N	-1	0	287.265	3.439	20	30		CGEDRM
N#Cc1ncc(-c2cc(Cl)c([O-])cc2F)cc1F	ZINC001245670583	803899538	/nfs/dbraw/zinc/89/95/38/803899538.db2.gz	ZIPZMIUTPTWKID-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2cccs2)cc1=O	ZINC001245920694	804049625	/nfs/dbraw/zinc/04/96/25/804049625.db2.gz	UPUKWYJACJCPET-UHFFFAOYSA-N	-1	0	267.313	3.178	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(C2CCCC2)cc1=O	ZINC001245928276	804056508	/nfs/dbraw/zinc/05/65/08/804056508.db2.gz	FMQFFKKNDPJOMI-UHFFFAOYSA-N	-1	0	253.305	3.107	20	30		CGEDRM
CCC(CC)n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245936653	804066943	/nfs/dbraw/zinc/06/69/43/804066943.db2.gz	CXQNGFJHLUYKNZ-UHFFFAOYSA-N	-1	0	255.321	3.488	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(-c3ccsc3)cc2=O)c1	ZINC001245949743	804084388	/nfs/dbraw/zinc/08/43/88/804084388.db2.gz	UJFKOQANZFIBEN-UHFFFAOYSA-N	-1	0	281.340	3.237	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(F)c(C(F)(F)F)c2)[nH]1	ZINC001245952154	804086489	/nfs/dbraw/zinc/08/64/89/804086489.db2.gz	RDVYXMFEKJWROX-UHFFFAOYSA-N	-1	0	298.239	3.302	20	30		CGEDRM
N#C[C@H]1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140833072	804531281	/nfs/dbraw/zinc/53/12/81/804531281.db2.gz	OKGWNOUTOYKGFX-MRVPVSSYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
C=CCN(C(=O)c1cccc(O)c1O)C1CCCCC1	ZINC001148219056	805168502	/nfs/dbraw/zinc/16/85/02/805168502.db2.gz	TXKOXPAFMRXEKP-UHFFFAOYSA-N	-1	0	275.348	3.059	20	30		CGEDRM
N#Cc1cc(Nc2cc([O-])c(F)c(F)c2F)cs1	ZINC001249961446	805329110	/nfs/dbraw/zinc/32/91/10/805329110.db2.gz	QEYUDUWVBZNSSA-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
CSc1cnc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001250145723	805442554	/nfs/dbraw/zinc/44/25/54/805442554.db2.gz	UWLYWKRXYMZZIE-UHFFFAOYSA-N	-1	0	293.298	3.403	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2cc(Cl)c([O-])cc2F)cc1	ZINC001250208743	805491636	/nfs/dbraw/zinc/49/16/36/805491636.db2.gz	NXTGOKHXLPZNDT-UHFFFAOYSA-N	-1	0	289.693	3.482	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(C2CC2)c1	ZINC001258283376	807393578	/nfs/dbraw/zinc/39/35/78/807393578.db2.gz	UCCZDERAGHTLDT-UHFFFAOYSA-N	-1	0	298.367	3.236	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)C2CCCC2)cc1Cl	ZINC001259802860	807686719	/nfs/dbraw/zinc/68/67/19/807686719.db2.gz	WYGRBJCHRKLHNJ-UHFFFAOYSA-N	-1	0	298.795	3.204	20	30		CGEDRM
CC[C@H](C)S(=O)(=O)[N-]c1c(C#N)ccc2ccccc21	ZINC001260738372	807702486	/nfs/dbraw/zinc/70/24/86/807702486.db2.gz	ASAHVCPUCKVWOC-NSHDSACASA-N	-1	0	288.372	3.252	20	30		CGEDRM
CC[C@@H](C)S(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N	ZINC001260740020	807703389	/nfs/dbraw/zinc/70/33/89/807703389.db2.gz	OBALDOLLWQHWFO-LLVKDONJSA-N	-1	0	280.393	3.222	20	30		CGEDRM
COCOc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001212901961	815181412	/nfs/dbraw/zinc/18/14/12/815181412.db2.gz	LUOQWUIDJJGYRX-UHFFFAOYSA-N	-1	0	288.278	3.129	20	30		CGEDRM
CC(=O)c1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001173895130	808748267	/nfs/dbraw/zinc/74/82/67/808748267.db2.gz	QKUSMSKXAWSOJU-UHFFFAOYSA-N	-1	0	258.302	3.272	20	30		CGEDRM
CC(=O)Nc1ccccc1Nc1scc([O-])c1C#N	ZINC001173993180	808808759	/nfs/dbraw/zinc/80/87/59/808808759.db2.gz	ATGATSVQVSGWDU-UHFFFAOYSA-N	-1	0	273.317	3.027	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496828	809043364	/nfs/dbraw/zinc/04/33/64/809043364.db2.gz	WBKFIYNWIOAEJZ-CMDGGOBGSA-N	-1	0	294.310	3.408	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)s1	ZINC001174675376	809125863	/nfs/dbraw/zinc/12/58/63/809125863.db2.gz	ZGFLXACUOMGVMO-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174809360	809168063	/nfs/dbraw/zinc/16/80/63/809168063.db2.gz	DZXZWKWPNXQFTN-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)cc1F	ZINC001174809032	809168215	/nfs/dbraw/zinc/16/82/15/809168215.db2.gz	AYVINTVFSKDGEP-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1C#N	ZINC001174953745	809213116	/nfs/dbraw/zinc/21/31/16/809213116.db2.gz	MLZVNPDKKXEBHE-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1F	ZINC001174956911	809215459	/nfs/dbraw/zinc/21/54/59/809215459.db2.gz	TZDGIXYMDNOLQI-UHFFFAOYSA-N	-1	0	269.275	3.178	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-n1cc(C#N)c2ccc(N)cc21	ZINC001174984704	809227948	/nfs/dbraw/zinc/22/79/48/809227948.db2.gz	SQSISKVVFHYKJV-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
C#CCOc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC001174984925	809228083	/nfs/dbraw/zinc/22/80/83/809228083.db2.gz	WRRHOXGIMPXQMQ-UHFFFAOYSA-N	-1	0	281.311	3.449	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC001175158188	809292452	/nfs/dbraw/zinc/29/24/52/809292452.db2.gz	OYSBESQCRIGMRD-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cn1	ZINC001175216219	809311481	/nfs/dbraw/zinc/31/14/81/809311481.db2.gz	XNSFJBAPIAAAHN-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001175218599	809312062	/nfs/dbraw/zinc/31/20/62/809312062.db2.gz	HNCVEBHMZYKQEH-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001175219918	809313235	/nfs/dbraw/zinc/31/32/35/809313235.db2.gz	IMUORYLVQSHSOF-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175221248	809313382	/nfs/dbraw/zinc/31/33/82/809313382.db2.gz	CAWNSIREJRSLSL-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1csc(Nc2cccc(C(=O)[O-])c2)c1C#N	ZINC001175328400	809356777	/nfs/dbraw/zinc/35/67/77/809356777.db2.gz	IPBQERXTMPKJDV-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1oc2ccccc2c1Nc1cncc(C(=O)[O-])c1	ZINC001175839679	809552187	/nfs/dbraw/zinc/55/21/87/809552187.db2.gz	BAAPXXCSHRRRMB-UHFFFAOYSA-N	-1	0	279.255	3.141	20	30		CGEDRM
N#Cc1cnc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Cl)c1	ZINC001176591484	809725526	/nfs/dbraw/zinc/72/55/26/809725526.db2.gz	KFKSLNRMGVKIIF-ZZXKWVIFSA-N	-1	0	299.717	3.448	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176597863	809727415	/nfs/dbraw/zinc/72/74/15/809727415.db2.gz	XJIYGJHGXTXCQG-QPJJXVBHSA-N	-1	0	294.310	3.408	20	30		CGEDRM
CCOc1cc(Nc2cc(C#N)c(F)cc2[O-])c(F)cn1	ZINC001176603941	809729667	/nfs/dbraw/zinc/72/96/67/809729667.db2.gz	PTWNRTLFSZTRQM-UHFFFAOYSA-N	-1	0	291.257	3.079	20	30		CGEDRM
N#Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F	ZINC001176620317	809733055	/nfs/dbraw/zinc/73/30/55/809733055.db2.gz	HFFFBIFTGANPKM-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176669954	809740384	/nfs/dbraw/zinc/74/03/84/809740384.db2.gz	PIPDLRLHSPACPI-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
C[C@H]1C[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)c2ccccc21	ZINC001184245966	810184973	/nfs/dbraw/zinc/18/49/73/810184973.db2.gz	FZSOJZLQUAJHHG-GUYCJALGSA-N	-1	0	294.374	3.401	20	30		CGEDRM
N#Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2[O-])cc1	ZINC001184756239	810217802	/nfs/dbraw/zinc/21/78/02/810217802.db2.gz	CDTHUZWIMRCFDZ-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
Cc1c(Cl)cc(NC(=O)[C@@H]2C[C@@H]2C#N)c([O-])c1Cl	ZINC001186977052	810377034	/nfs/dbraw/zinc/37/70/34/810377034.db2.gz	KPVGVKPUEJNXDO-RNFRBKRXSA-N	-1	0	285.130	3.106	20	30		CGEDRM
N#Cc1cnoc1NC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC001187126146	810386023	/nfs/dbraw/zinc/38/60/23/810386023.db2.gz	ZBEVVJYPONKXHO-UHFFFAOYSA-N	-1	0	297.101	3.497	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1ccco1	ZINC001187995036	810440058	/nfs/dbraw/zinc/44/00/58/810440058.db2.gz	ZPVFVNNOGHYOOU-UHFFFAOYSA-N	-1	0	259.371	3.382	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2cc(O)cc(F)c2F)s1	ZINC001192651227	810813576	/nfs/dbraw/zinc/81/35/76/810813576.db2.gz	BVRXSDKAYDAGES-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
Cn1c(NC(=O)c2cccc(C#N)c2[O-])cc2ccccc21	ZINC001193642775	810927753	/nfs/dbraw/zinc/92/77/53/810927753.db2.gz	PJIZBSPHPBTWQP-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
CC(C)(C)c1nc([N-]c2cc(C#N)ccc2F)no1	ZINC001214590684	815428068	/nfs/dbraw/zinc/42/80/68/815428068.db2.gz	RKUFFGSQQLTIGK-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
C=Cc1ccc(NC(=O)c2ccc(C#N)cc2[O-])cc1	ZINC001195749786	811286659	/nfs/dbraw/zinc/28/66/59/811286659.db2.gz	ADSKZWHZPLESEM-UHFFFAOYSA-N	-1	0	264.284	3.159	20	30		CGEDRM
C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2[O-])c2ccccc21	ZINC001195764866	811289902	/nfs/dbraw/zinc/28/99/02/811289902.db2.gz	SNCDYKLSDAGTAC-BDJLRTHQSA-N	-1	0	292.338	3.242	20	30		CGEDRM
CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC#N)c1	ZINC001197365985	811422000	/nfs/dbraw/zinc/42/20/00/811422000.db2.gz	QYNNPMBHHADVAI-UHFFFAOYSA-N	-1	0	288.347	3.146	20	30		CGEDRM
Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C#N)c1	ZINC001201222830	811798708	/nfs/dbraw/zinc/79/87/08/811798708.db2.gz	STPDLMDXNHJVRT-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2cc(F)c(F)cc2[O-])c1	ZINC001202788242	812174614	/nfs/dbraw/zinc/17/46/14/812174614.db2.gz	UPZHONILZVXRQP-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccsc1C(=O)[O-]	ZINC001215394273	815515756	/nfs/dbraw/zinc/51/57/56/815515756.db2.gz	RZKBQFZHPVEKQX-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203293240	812295942	/nfs/dbraw/zinc/29/59/42/812295942.db2.gz	GSEQZHIZGVBWDM-UHFFFAOYSA-N	-1	0	285.278	3.181	20	30		CGEDRM
N#CCc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001215463716	815521552	/nfs/dbraw/zinc/52/15/52/815521552.db2.gz	LHJCJKATXZHWSE-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1cccc(Nc2c(F)cc(C(=O)[O-])cc2F)c1F	ZINC001215612882	815547361	/nfs/dbraw/zinc/54/73/61/815547361.db2.gz	CSTPHUMISYYTCS-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1nc(C#N)c(Nc2ccc(Cl)c(C(=O)[O-])c2F)o1	ZINC001215696673	815560520	/nfs/dbraw/zinc/56/05/20/815560520.db2.gz	VHBQMFJJZDTONJ-UHFFFAOYSA-N	-1	0	295.657	3.089	20	30		CGEDRM
N#Cc1nc(-c2csc(C(=O)[O-])c2)ccc1C(F)(F)F	ZINC001206250097	813256146	/nfs/dbraw/zinc/25/61/46/813256146.db2.gz	HXKDVXJLJLZCRO-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(F)c([O-])cc2F)n1	ZINC001206768539	813430562	/nfs/dbraw/zinc/43/05/62/813430562.db2.gz	YIRGTHHAAFPMES-UHFFFAOYSA-N	-1	0	260.243	3.107	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC001209901884	814193981	/nfs/dbraw/zinc/19/39/81/814193981.db2.gz	BSHXZMUWAVSGLH-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
Cc1oc(Nc2cccc(CC(=O)[O-])c2)c(C#N)c1C	ZINC001210069024	814271369	/nfs/dbraw/zinc/27/13/69/814271369.db2.gz	HZVNCZGCKZPYIW-UHFFFAOYSA-N	-1	0	270.288	3.139	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2cccc(CC(=O)[O-])c2)c1F	ZINC001210071750	814273864	/nfs/dbraw/zinc/27/38/64/814273864.db2.gz	PQCRFRXLGJQXCT-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])nc2)cc1	ZINC001210177275	814321817	/nfs/dbraw/zinc/32/18/17/814321817.db2.gz	CJXCKCUNKNUAFZ-UHFFFAOYSA-N	-1	0	281.315	3.325	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210242094	814361600	/nfs/dbraw/zinc/36/16/00/814361600.db2.gz	ATYLSABWOIHVTE-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc(C(=O)[O-])ccc1OC	ZINC001210259206	814370438	/nfs/dbraw/zinc/37/04/38/814370438.db2.gz	DVFKXROYQOBKGP-UHFFFAOYSA-N	-1	0	297.314	3.050	20	30		CGEDRM
C[C@H]1CC(=O)C=C(c2ccccc2/C=C/C(=O)[O-])C1	ZINC001242746047	823121196	/nfs/dbraw/zinc/12/11/96/823121196.db2.gz	SMNRULQFDPSHCY-XUIVZRPNSA-N	-1	0	256.301	3.167	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210401719	814446953	/nfs/dbraw/zinc/44/69/53/814446953.db2.gz	YBOIOWUIMZNLCH-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
Cc1nc(Nc2cccc([S-])c2)c(C#N)cc1C#N	ZINC001210945456	814685279	/nfs/dbraw/zinc/68/52/79/814685279.db2.gz	STSOWWZTTDREFL-UHFFFAOYSA-N	-1	0	266.329	3.166	20	30		CGEDRM
Cc1ccc(Nc2ccccc2C(=O)[O-])c(C#N)c1	ZINC001210967533	814694190	/nfs/dbraw/zinc/69/41/90/814694190.db2.gz	HWIKQNHZPWGGMI-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1cnc(Nc2ccccc2C(=O)[O-])c(Cl)c1	ZINC001210969251	814696125	/nfs/dbraw/zinc/69/61/25/814696125.db2.gz	JTRXNYVZDSUFQK-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cnccc1Br	ZINC001211222575	814855215	/nfs/dbraw/zinc/85/52/15/814855215.db2.gz	GJICPXLGQUVVLX-UHFFFAOYSA-N	-1	0	296.149	3.226	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c([O-])c2)c(C#N)c1	ZINC001211221246	814855337	/nfs/dbraw/zinc/85/53/37/814855337.db2.gz	VJSBALUKJQZOPF-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3cc(F)c([O-])cc3F)cc12	ZINC001211353380	814885275	/nfs/dbraw/zinc/88/52/75/814885275.db2.gz	VMTWOLJQCBLMCT-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
Cc1ccc(Nc2ccsc2C#N)cc1C(=O)[O-]	ZINC001211597170	814914830	/nfs/dbraw/zinc/91/48/30/814914830.db2.gz	UPLAOYDTGZKQDY-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1ccc(Nc2ccc(O)c(C#N)c2)cc1C(=O)[O-]	ZINC001211606317	814916649	/nfs/dbraw/zinc/91/66/49/814916649.db2.gz	MGNQUFXGSDBQCB-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(C#N)ccc1F	ZINC001211624804	814920414	/nfs/dbraw/zinc/92/04/14/814920414.db2.gz	UZXDUSANBGZSSR-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-n1ccc2c1cc(C#N)cc2N	ZINC001211624330	814920803	/nfs/dbraw/zinc/92/08/03/814920803.db2.gz	CMDCLPFENMUPMR-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
COc1nc(-c2cc(Cl)c([O-])c(Cl)c2)ncc1C#N	ZINC001242848942	823152035	/nfs/dbraw/zinc/15/20/35/823152035.db2.gz	JQSHEDVMUUYJRK-UHFFFAOYSA-N	-1	0	296.113	3.036	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1[O-]	ZINC001216979793	815905210	/nfs/dbraw/zinc/90/52/10/815905210.db2.gz	KBUXICGPPINGDF-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
N#Cc1cc(-c2ccccc2C(=O)[O-])nc(C(F)(F)F)c1	ZINC001242877136	823161466	/nfs/dbraw/zinc/16/14/66/823161466.db2.gz	SVLUGIZJPAJRST-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
[O-]/N=C/c1cc(-c2cncc(CO)c2)cc(C(F)(F)F)c1	ZINC001242973483	823195161	/nfs/dbraw/zinc/19/51/61/823195161.db2.gz	GGXWBJWUMVOJRJ-KPSZGOFPSA-N	-1	0	296.248	3.068	20	30		CGEDRM
N#CCc1cccc(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222402989	816434895	/nfs/dbraw/zinc/43/48/95/816434895.db2.gz	ISEJUEOTTUVAJO-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001222407743	816436653	/nfs/dbraw/zinc/43/66/53/816436653.db2.gz	IZWVFWIPLVETLR-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
C#CC[C@H](CC)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223593094	816654561	/nfs/dbraw/zinc/65/45/61/816654561.db2.gz	HYUZKJJCTMPJQB-AHAXBBEGSA-N	-1	0	251.713	3.294	20	30		CGEDRM
CCCCCCCCC[C@@H](C)OCCS(=O)(=O)[O-]	ZINC001224572388	816828862	/nfs/dbraw/zinc/82/88/62/816828862.db2.gz	UDVHVIKAAHTRJV-CYBMUJFWSA-N	-1	0	280.430	3.420	20	30		CGEDRM
C#C[C@@H](OCCCC[P@@](=O)([O-])O)[C@@H](CC)CCCC	ZINC001225019780	816934230	/nfs/dbraw/zinc/93/42/30/816934230.db2.gz	AMXZDWZFELNYRP-UONOGXRCSA-N	-1	0	290.340	3.179	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@@H](c2ccccc2)C2CC2)[nH]1	ZINC001225467495	817061145	/nfs/dbraw/zinc/06/11/45/817061145.db2.gz	RRCRQUISNICRIA-INIZCTEOSA-N	-1	0	280.327	3.497	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225493210	817073537	/nfs/dbraw/zinc/07/35/37/817073537.db2.gz	BXVRVPSPGBFOFR-NSHDSACASA-N	-1	0	251.282	3.424	20	30		CGEDRM
C=C[C@H](CCCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225493208	817073856	/nfs/dbraw/zinc/07/38/56/817073856.db2.gz	BXVRVPSPGBFOFR-LLVKDONJSA-N	-1	0	251.282	3.424	20	30		CGEDRM
C=CC[C@H](C=C)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884677	817206032	/nfs/dbraw/zinc/20/60/32/817206032.db2.gz	IQNNQCJKRLQUSF-LURJTMIESA-N	-1	0	262.202	3.458	20	30		CGEDRM
C#C[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)c1ccncc1	ZINC001225886156	817207376	/nfs/dbraw/zinc/20/73/76/817207376.db2.gz	SVLLPXKQUVZKSV-QMMMGPOBSA-N	-1	0	297.207	3.097	20	30		CGEDRM
C=CCC(CC=C)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225979871	817237316	/nfs/dbraw/zinc/23/73/16/817237316.db2.gz	LBATZHPQJZJLRK-UHFFFAOYSA-N	-1	0	274.242	3.101	20	30		CGEDRM
C[C@H](CCc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008122	817246762	/nfs/dbraw/zinc/24/67/62/817246762.db2.gz	DSBIFILBGRGCOT-LLVKDONJSA-N	-1	0	286.306	3.198	20	30		CGEDRM
CC/C=C(\C)[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009110	817247915	/nfs/dbraw/zinc/24/79/15/817247915.db2.gz	SKQICTBMHBOYIH-LZGFCCKTSA-N	-1	0	264.300	3.312	20	30		CGEDRM
CC1(C)CCC(Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226013100	817249082	/nfs/dbraw/zinc/24/90/82/817249082.db2.gz	KCDLBVGETAZVHA-UHFFFAOYSA-N	-1	0	264.300	3.146	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccc(F)c2F)c1C#N	ZINC001226224015	817302171	/nfs/dbraw/zinc/30/21/71/817302171.db2.gz	YCFOBVFLGQRMON-SECBINFHSA-N	-1	0	290.269	3.386	20	30		CGEDRM
C=CCC[C@H](CC)Oc1nc[n-]c(=O)c1Br	ZINC001226721137	817445874	/nfs/dbraw/zinc/44/58/74/817445874.db2.gz	GAJWFWHPTXHNRR-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(/C=N/O)c(F)c2)c1	ZINC001243176431	823273693	/nfs/dbraw/zinc/27/36/93/823273693.db2.gz	BPTRVFSGFCTKQW-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
C[C@@H](Oc1ccc2cc(C#N)c(=O)oc2c1)C1=CC=C[CH]1	ZINC001227380871	817635796	/nfs/dbraw/zinc/63/57/96/817635796.db2.gz	ZIPJWNIBALUVOT-LLVKDONJSA-N	-1	0	278.287	3.132	20	30		CGEDRM
C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc(O)c(C#N)c1C#N	ZINC001227623449	817686452	/nfs/dbraw/zinc/68/64/52/817686452.db2.gz	RSRUOLCNTNNTFZ-CDMJZVDBSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227709859	817699871	/nfs/dbraw/zinc/69/98/71/817699871.db2.gz	HGUMPMMOBDIDDY-WDEREUQCSA-N	-1	0	278.352	3.287	20	30		CGEDRM
Cc1ccc(-c2ncnc3cc(C#N)ccc32)cc1C(=O)[O-]	ZINC001243194988	823284919	/nfs/dbraw/zinc/28/49/19/823284919.db2.gz	FQDOLSBRKCQADZ-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C#C[C@@H](C)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228184032	817834343	/nfs/dbraw/zinc/83/43/43/817834343.db2.gz	PHTNTWUBDSNCAF-GFCCVEGCSA-N	-1	0	266.296	3.024	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(C(=O)[O-])cc1C	ZINC001243211849	823293911	/nfs/dbraw/zinc/29/39/11/823293911.db2.gz	GZLVEFQEINFUHN-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1cc(-c2ccccc2CC#N)ccc1C(=O)[O-]	ZINC001243215418	823296122	/nfs/dbraw/zinc/29/61/22/823296122.db2.gz	ZKBSSDIXAKATJJ-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]ncc(=O)c1Cl	ZINC001228387967	817895259	/nfs/dbraw/zinc/89/52/59/817895259.db2.gz	AZIRDZSNJZAHHQ-LBPRGKRZSA-N	-1	0	288.734	3.045	20	30		CGEDRM
C=CC[C@H](CCC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-]	ZINC001228602853	817951579	/nfs/dbraw/zinc/95/15/79/817951579.db2.gz	GGEDLPKMFYFBJI-SNVBAGLBSA-N	-1	0	293.323	3.091	20	30		CGEDRM
CN(CCC#N)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232623367	818402992	/nfs/dbraw/zinc/40/29/92/818402992.db2.gz	AHXJIVKHVJUNBB-UHFFFAOYSA-N	-1	0	259.136	3.044	20	30		CGEDRM
N#Cc1ccccc1OC1CN(Cc2ccc([S-])cc2)C1	ZINC001233263081	818560874	/nfs/dbraw/zinc/56/08/74/818560874.db2.gz	GNAVBDWPQYYNCU-UHFFFAOYSA-N	-1	0	296.395	3.110	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cc(Cl)cc(C(=O)[O-])c3)cnc12	ZINC001243327276	823349413	/nfs/dbraw/zinc/34/94/13/823349413.db2.gz	XVKMQBYPSIYVJK-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2n[n-]c(=O)cc2Cl)O1	ZINC001233585260	818649249	/nfs/dbraw/zinc/64/92/49/818649249.db2.gz	CAFYZQMCQWJDMN-YGRLFVJLSA-N	-1	0	298.770	3.117	20	30		CGEDRM
COc1cc(/C=N/O)ccc1O[C@@H](C(C)C)C(F)(F)F	ZINC001233801421	818707024	/nfs/dbraw/zinc/70/70/24/818707024.db2.gz	ZOBBZNKFOBFUBY-SMWBLXLWSA-N	-1	0	291.269	3.469	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1C#N	ZINC001233919251	818729885	/nfs/dbraw/zinc/72/98/85/818729885.db2.gz	MUVHBZINJGLTEA-MHDGFBEUSA-N	-1	0	286.375	3.417	20	30		CGEDRM
CCC[C@H](CC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511148	818869581	/nfs/dbraw/zinc/86/95/81/818869581.db2.gz	KJNJPDFEBSSKIO-NSHDSACASA-N	-1	0	271.320	3.165	20	30		CGEDRM
N#Cc1c(F)cccc1-c1c(F)cc(F)c([O-])c1F	ZINC001235993194	819263844	/nfs/dbraw/zinc/26/38/44/819263844.db2.gz	FHSCKMKLAUOOFT-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236141897	819342493	/nfs/dbraw/zinc/34/24/93/819342493.db2.gz	DGALVUANTMZMME-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C(=O)[O-])c(F)c3F)cc12	ZINC001243513994	823426645	/nfs/dbraw/zinc/42/66/45/823426645.db2.gz	AUYGUGJMLBADKI-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(F)c2F)nc(C)c1C#N	ZINC001243512701	823426865	/nfs/dbraw/zinc/42/68/65/823426865.db2.gz	XZMMSLIOTSAGRM-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(Cl)c([O-])c3)ccc12	ZINC001243576732	823451330	/nfs/dbraw/zinc/45/13/30/823451330.db2.gz	UJJFQHPMJOOFHQ-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C(C)(C)C#N)nc1	ZINC001240737807	821289721	/nfs/dbraw/zinc/28/97/21/821289721.db2.gz	NMPSASOCTUSKNJ-UHFFFAOYSA-N	-1	0	296.326	3.257	20	30		CGEDRM
COc1cc(-c2ccc3[nH]cc(C#N)c3c2)ccc1C(=O)[O-]	ZINC001240743824	821294951	/nfs/dbraw/zinc/29/49/51/821294951.db2.gz	RFUBGBGZMDQIFR-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(-c2cc(F)cc(CC#N)c2)ccc1C(=O)[O-]	ZINC001240746427	821297410	/nfs/dbraw/zinc/29/74/10/821297410.db2.gz	MFJSWSGUXRLXSB-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])s2)nc(C(F)(F)F)c1	ZINC001240842531	821364317	/nfs/dbraw/zinc/36/43/17/821364317.db2.gz	JFJBTCWQPXUUIF-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
O=C([O-])c1ccc(-c2cc(/C=N/O)ccc2F)s1	ZINC001240848443	821369980	/nfs/dbraw/zinc/36/99/80/821369980.db2.gz	ZRMTXHUEUCSSDR-MKMNVTDBSA-N	-1	0	265.265	3.061	20	30		CGEDRM
COc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1CC#N	ZINC001240974214	821457910	/nfs/dbraw/zinc/45/79/10/821457910.db2.gz	VUBACKXFDMJCBH-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2cccc(C(=O)[O-])c2)n1	ZINC001241357338	821758983	/nfs/dbraw/zinc/75/89/83/821758983.db2.gz	PAEKUXQOHOGAQV-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2)c(F)c1	ZINC001241359946	821760899	/nfs/dbraw/zinc/76/08/99/821760899.db2.gz	ZJOJTCUKRPSGLX-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1C#N	ZINC001241828711	822167309	/nfs/dbraw/zinc/16/73/09/822167309.db2.gz	HLZSONBNOYDYDR-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
Cc1nc(-c2cc(C(=O)[O-])cc(F)c2C)ccc1C#N	ZINC001242208084	822910834	/nfs/dbraw/zinc/91/08/34/822910834.db2.gz	AZIWSBUVKJXEEQ-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(/C=N/O)c(F)c1	ZINC001242211503	822911700	/nfs/dbraw/zinc/91/17/00/822911700.db2.gz	GHFBKFPHYJBNRV-CNHKJKLMSA-N	-1	0	291.253	3.447	20	30		CGEDRM
N#CCc1cc2ccccc2nc1-c1ccc(C(=O)[O-])nc1	ZINC001242333176	822953112	/nfs/dbraw/zinc/95/31/12/822953112.db2.gz	HNZAAGCKBLQUAR-UHFFFAOYSA-N	-1	0	289.294	3.061	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cccc(Cl)c2[O-])c1	ZINC001242367765	822969547	/nfs/dbraw/zinc/96/95/47/822969547.db2.gz	RQMXZHCTDMHWRJ-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cccc(C(=O)[O-])c2F)cn1	ZINC001242379969	822974418	/nfs/dbraw/zinc/97/44/18/822974418.db2.gz	BNRTVTWYOQTAON-UHFFFAOYSA-N	-1	0	284.290	3.387	20	30		CGEDRM
N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1cccc(F)n1	ZINC001343312037	936494714	/nfs/dbraw/zinc/49/47/14/936494714.db2.gz	JYEWLTBHJMOLMH-GFCCVEGCSA-N	-1	0	298.321	3.022	20	30		CGEDRM
C=C1CCC(C(=O)N2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)CC1	ZINC001346371621	936846751	/nfs/dbraw/zinc/84/67/51/936846751.db2.gz	TXJWUYDSLKRKQR-XFMPKHEZSA-N	-1	0	293.407	3.079	20	30		CGEDRM
CC(=NOC(C)(C)C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC001347634027	936890223	/nfs/dbraw/zinc/89/02/23/936890223.db2.gz	DPIHJAQFTKYNOY-LLVKDONJSA-N	-1	0	279.336	3.078	20	30		CGEDRM
N#Cc1ccc(Cc2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001250055414	928245609	/nfs/dbraw/zinc/24/56/09/928245609.db2.gz	HRQPPYQIOJUQQC-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(C2CC2)cc1	ZINC001411968035	928568751	/nfs/dbraw/zinc/56/87/51/928568751.db2.gz	GDJYCVCAUGBLKP-UHFFFAOYSA-N	-1	0	293.326	3.097	20	30		CGEDRM
C#CCOc1ccc(NC(=O)c2cccc(CC)c2O)cc1	ZINC001443940578	937348981	/nfs/dbraw/zinc/34/89/81/937348981.db2.gz	DXXOXGSNPDIYLO-UHFFFAOYSA-N	-1	0	295.338	3.219	20	30		CGEDRM
C#CC[C@H](C)Oc1nc(=S)[nH]c2scc(C)c21	ZINC001229354306	932135577	/nfs/dbraw/zinc/13/55/77/932135577.db2.gz	VSLAXRDJEHFODA-QMMMGPOBSA-N	-1	0	264.375	3.079	20	30		CGEDRM
C=C1O[C@H](CC)C(=O)C1Oc1ccc([S-])cc1C	ZINC001229638804	932183157	/nfs/dbraw/zinc/18/31/57/932183157.db2.gz	WTDXXFYAYHAYNN-LLVKDONJSA-N	-1	0	264.346	3.272	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc[n-]c(=O)c2Cl)O1	ZINC001230013153	932520973	/nfs/dbraw/zinc/52/09/73/932520973.db2.gz	FCLRYKUVJCKAFT-LKFCYVNXSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C#C[C@@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231045321	932664929	/nfs/dbraw/zinc/66/49/29/932664929.db2.gz	VAVFRZYWJMGNRU-LURJTMIESA-N	-1	0	270.119	3.055	20	30		CGEDRM
C#CC[C@@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231049945	932665728	/nfs/dbraw/zinc/66/57/28/932665728.db2.gz	OFYYDAIEVWQBDZ-SSDOTTSWSA-N	-1	0	284.146	3.445	20	30		CGEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231075127	932672428	/nfs/dbraw/zinc/67/24/28/932672428.db2.gz	XBWYCMLSFSYUKP-VIFPVBQESA-N	-1	0	262.284	3.208	20	30		CGEDRM
CCc1ccc(O)c(NC(=O)c2ccsc2C#N)c1	ZINC001466549258	937710379	/nfs/dbraw/zinc/71/03/79/937710379.db2.gz	HZWVSCAWUNUSFG-UHFFFAOYSA-N	-1	0	272.329	3.140	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC001466629074	937710915	/nfs/dbraw/zinc/71/09/15/937710915.db2.gz	PTYTYGPKWPUMSJ-CYBMUJFWSA-N	-1	0	298.298	3.209	20	30		CGEDRM
C[C@@H]1C(=NOC(C)(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC001326241262	934962244	/nfs/dbraw/zinc/96/22/44/934962244.db2.gz	ZDFIHTOFKCRQAO-ZJUUUORDSA-N	-1	0	255.358	3.314	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)C(=O)[O-]	ZINC001334960684	936123875	/nfs/dbraw/zinc/12/38/75/936123875.db2.gz	CYJRQSXUVYFEFT-GXTWGEPZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)CC1CCCCC1)C(=O)[O-]	ZINC001334960687	936124410	/nfs/dbraw/zinc/12/44/10/936124410.db2.gz	CYJRQSXUVYFEFT-TZMCWYRMSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1s[n-]c(=O)c1Cl	ZINC001336216285	936180844	/nfs/dbraw/zinc/18/08/44/936180844.db2.gz	GRZQEJVTUPBREG-QMMMGPOBSA-N	-1	0	286.784	3.073	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1	ZINC001336243495	936183372	/nfs/dbraw/zinc/18/33/72/936183372.db2.gz	VCNMTEWRVXRYAQ-UKRRQHHQSA-N	-1	0	289.375	3.229	20	30		CGEDRM
CCCCCC[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001540574730	938132257	/nfs/dbraw/zinc/13/22/57/938132257.db2.gz	UHSWGRYMOORZFH-LBPRGKRZSA-N	-1	0	289.379	3.056	20	30		CGEDRM
C=CCC1(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CCCC1	ZINC001602718661	971376172	/nfs/dbraw/zinc/37/61/72/971376172.db2.gz	RCYWTXGTHRVFKE-QGZVFWFLSA-N	-1	0	291.391	3.050	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(C#N)cc1F	ZINC001201562035	957898855	/nfs/dbraw/zinc/89/88/55/957898855.db2.gz	WTLMUNVHHYZQOO-UHFFFAOYSA-N	-1	0	259.265	3.080	20	30		CGEDRM
CCCCCCCCC(=O)Nc1ccc(C(=O)[O-])nc1	ZINC000128181524	958642929	/nfs/dbraw/zinc/64/29/29/958642929.db2.gz	QKKHVNNDTMBQBS-UHFFFAOYSA-N	-1	0	278.352	3.469	20	30		CGEDRM
N#Cc1ccc(OCc2occc2C(=O)[O-])cc1Cl	ZINC000226054837	959869097	/nfs/dbraw/zinc/86/90/97/959869097.db2.gz	XPQDCCPKLZYTPM-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
CC(C)(C#N)CCCCOc1cccc(C(=O)[O-])c1	ZINC000232521351	960279867	/nfs/dbraw/zinc/27/98/67/960279867.db2.gz	UHOGMTABKLSHBE-UHFFFAOYSA-N	-1	0	261.321	3.484	20	30		CGEDRM
C=C[C@@H](C)ON=C1CCC[C@H](CCCC(=O)[O-])C1	ZINC001602812902	960548092	/nfs/dbraw/zinc/54/80/92/960548092.db2.gz	OSAJMQIWYJSBLA-VXGBXAGGSA-N	-1	0	253.342	3.379	20	30		CGEDRM
C=CCC[C@@H](C(=O)NCCCCC(=O)[O-])c1ccccc1	ZINC001573328685	962236102	/nfs/dbraw/zinc/23/61/02/962236102.db2.gz	LYDWZSPAHKSIDW-OAHLLOKOSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=C1CCC(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CC1	ZINC001573329458	962253426	/nfs/dbraw/zinc/25/34/26/962253426.db2.gz	GZKGAHPTKAIMDC-ZDUSSCGKSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CCCCCCCCCNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001573840326	962282151	/nfs/dbraw/zinc/28/21/51/962282151.db2.gz	GBDROLGAFYSNBL-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C=C[C@@H](Sc1nc2cc(F)ccc2s1)C(=O)[O-]	ZINC001573346882	962943814	/nfs/dbraw/zinc/94/38/14/962943814.db2.gz	HJEFBJHBWRMIRK-MRVPVSSYSA-N	-1	0	269.322	3.167	20	30		CGEDRM
C=CCCOCCCCC(=O)Nc1ccsc1C(=O)[O-]	ZINC001573360145	963033559	/nfs/dbraw/zinc/03/35/59/963033559.db2.gz	IQTXMIROCQTPIB-UHFFFAOYSA-N	-1	0	297.376	3.148	20	30		CGEDRM
C#C[C@H](C)[N@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001588368826	963266703	/nfs/dbraw/zinc/26/67/03/963266703.db2.gz	SWIYHHUWTMFTLK-LBPRGKRZSA-N	-1	0	283.327	3.098	20	30		CGEDRM
C#C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1	ZINC001588377577	963269017	/nfs/dbraw/zinc/26/90/17/963269017.db2.gz	NEJKLXOVQZGDNE-JKSUJKDBSA-N	-1	0	299.757	3.430	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588451040	963269550	/nfs/dbraw/zinc/26/95/50/963269550.db2.gz	KVXPDAWQZSLMPP-AWEZNQCLSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C#Cc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cc1	ZINC001588439302	963271843	/nfs/dbraw/zinc/27/18/43/963271843.db2.gz	SHWOMFVQDXLHKP-KRWDZBQOSA-N	-1	0	291.350	3.246	20	30		CGEDRM
C=CC[C@H]1N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1(C)C	ZINC001588457145	963275661	/nfs/dbraw/zinc/27/56/61/963275661.db2.gz	MUXHAEPIUISFBL-BFHYXJOUSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1	ZINC001588453438	963276952	/nfs/dbraw/zinc/27/69/52/963276952.db2.gz	XMKCAFMDFHDGGR-OAHLLOKOSA-N	-1	0	287.359	3.005	20	30		CGEDRM
C#Cc1ccc(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC001588517435	963279052	/nfs/dbraw/zinc/27/90/52/963279052.db2.gz	BBWBUAKSBJYEQZ-ZDUSSCGKSA-N	-1	0	295.338	3.132	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1ncccc1C(=O)[O-])c1ccccc1	ZINC001588451415	963280217	/nfs/dbraw/zinc/28/02/17/963280217.db2.gz	VYRSDXHGKMJTPP-LBPRGKRZSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C#Cc1ccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)cc1	ZINC001588517549	963280687	/nfs/dbraw/zinc/28/06/87/963280687.db2.gz	UVFJDQTVKVVYKK-CYBMUJFWSA-N	-1	0	279.339	3.468	20	30		CGEDRM
C=C(C)CCOc1c(C(=O)[O-])cncc1C(F)(F)F	ZINC001588561450	963285925	/nfs/dbraw/zinc/28/59/25/963285925.db2.gz	BWFJCXKKAOMWTD-UHFFFAOYSA-N	-1	0	275.226	3.144	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1sc2c(c1C)CCCC2	ZINC001588633892	963292258	/nfs/dbraw/zinc/29/22/58/963292258.db2.gz	TYEHDVIPRRRFTP-UHFFFAOYSA-N	-1	0	293.388	3.295	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NC2CC(CC(=O)[O-])C2)c1	ZINC001588606208	963292593	/nfs/dbraw/zinc/29/25/93/963292593.db2.gz	SIDIVZALHPPQBO-UHFFFAOYSA-N	-1	0	288.347	3.095	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001588681781	963296035	/nfs/dbraw/zinc/29/60/35/963296035.db2.gz	FDHBGISRCREBQA-INIZCTEOSA-N	-1	0	291.347	3.324	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1	ZINC001588689133	963296643	/nfs/dbraw/zinc/29/66/43/963296643.db2.gz	GOOFGYJLQIUBFD-UHFFFAOYSA-N	-1	0	278.315	3.099	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588644336	963300788	/nfs/dbraw/zinc/30/07/88/963300788.db2.gz	PYOUNVUEFAJSBK-OKILXGFUSA-N	-1	0	286.331	3.100	20	30		CGEDRM
C=C[C@H](Sc1nccn1-c1cc(C)cc(C)c1)C(=O)[O-]	ZINC001588714193	963302350	/nfs/dbraw/zinc/30/23/50/963302350.db2.gz	BFLQXSDSTGTQQJ-ZDUSSCGKSA-N	-1	0	288.372	3.220	20	30		CGEDRM
C=CC1(CC(=O)N(CCC)[C@H](C)C(=O)[O-])CCCCC1	ZINC001588714457	963307009	/nfs/dbraw/zinc/30/70/09/963307009.db2.gz	GUCIADNRKQHHGI-CYBMUJFWSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=CCC(C)(C)c1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC001588736940	963310223	/nfs/dbraw/zinc/31/02/23/963310223.db2.gz	ZUYRSNFGWSCQCS-WDEREUQCSA-N	-1	0	278.352	3.282	20	30		CGEDRM
C=CCC1(NC(=O)NCCCCCCC(=O)[O-])CCCC1	ZINC001588767019	963318003	/nfs/dbraw/zinc/31/80/03/963318003.db2.gz	DSNSWEYIKUECPH-UHFFFAOYSA-N	-1	0	296.411	3.210	20	30		CGEDRM
C=CCCSCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21	ZINC001588814832	963322092	/nfs/dbraw/zinc/32/20/92/963322092.db2.gz	TURKZOVNXSMQLS-UHFFFAOYSA-N	-1	0	289.356	3.358	20	30		CGEDRM
C=CCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588803669	963323281	/nfs/dbraw/zinc/32/32/81/963323281.db2.gz	CGNDLVMVSMRMFH-SOFGYWHQSA-N	-1	0	276.292	3.071	20	30		CGEDRM
C/C(=C\C(=O)[O-])CSc1c(Cl)cccc1C#N	ZINC001588952191	963331517	/nfs/dbraw/zinc/33/15/17/963331517.db2.gz	MWHSRXPPXMHVOD-VMPITWQZSA-N	-1	0	267.737	3.335	20	30		CGEDRM
Cc1cc(C#N)cc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1	ZINC000314979172	963838012	/nfs/dbraw/zinc/83/80/12/963838012.db2.gz	ORQHKNVAWCXJNE-VIFPVBQESA-N	-1	0	287.344	3.195	20	30		CGEDRM
C#CCCCCNc1cc(C(F)(F)F)c(C(=O)[O-])cn1	ZINC001588446711	964077612	/nfs/dbraw/zinc/07/76/12/964077612.db2.gz	WNHTXLLQPQKVAQ-UHFFFAOYSA-N	-1	0	286.253	3.014	20	30		CGEDRM
C[C@H](CC=NOc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC001592471840	978234880	/nfs/dbraw/zinc/23/48/80/978234880.db2.gz	WGEJMJMZSMQDJQ-MRVPVSSYSA-N	-1	0	275.226	3.181	20	30		CGEDRM
CC[C@@H](C)n1nc(C(=O)[O-])cc1-c1ccc(C#N)cc1	ZINC001595023323	979114918	/nfs/dbraw/zinc/11/49/18/979114918.db2.gz	RTKGJVGAZMAKBT-SNVBAGLBSA-N	-1	0	269.304	3.091	20	30		CGEDRM
C[C@@H](CSCc1cc(Cl)cc(C#N)c1)C(=O)[O-]	ZINC001592826296	979549361	/nfs/dbraw/zinc/54/93/61/979549361.db2.gz	ZERLHQCQQZHBOX-QMMMGPOBSA-N	-1	0	269.753	3.166	20	30		CGEDRM
C[C@@H](Cc1ccc(NCc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC001592876815	979741739	/nfs/dbraw/zinc/74/17/39/979741739.db2.gz	CVKRGRILHHQHQD-ZDUSSCGKSA-N	-1	0	294.354	3.434	20	30		CGEDRM
CCCC[C@H](S[C@@H](C#N)Cc1ccccc1)C(=O)[O-]	ZINC001595652630	982034971	/nfs/dbraw/zinc/03/49/71/982034971.db2.gz	VWCOONWSQATDID-KGLIPLIRSA-N	-1	0	277.389	3.498	20	30		CGEDRM
CCCCC[C@@H](Nc1snc(Cl)c1C#N)C(=O)[O-]	ZINC001595687363	982179619	/nfs/dbraw/zinc/17/96/19/982179619.db2.gz	PTROSNOWTGCHCI-MRVPVSSYSA-N	-1	0	287.772	3.114	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC001595705339	982284392	/nfs/dbraw/zinc/28/43/92/982284392.db2.gz	WSYRYMGTXKDQSQ-CHWSQXEVSA-N	-1	0	271.401	3.305	20	30		CGEDRM
C[C@@H]1c2ccccc2CN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001599883498	989517971	/nfs/dbraw/zinc/51/79/71/989517971.db2.gz	PIAVDUWNTOIDLX-GFCCVEGCSA-N	-1	0	292.338	3.333	20	30		CGEDRM
CC(C)=CCS[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590926837	990927567	/nfs/dbraw/zinc/92/75/67/990927567.db2.gz	HONZGCZCFIVGLB-ZDUSSCGKSA-N	-1	0	261.346	3.383	20	30		CGEDRM
COc1ccc(O)c(C=Nc2cc(C(=O)[O-])c(C)cc2C)c1	ZINC001599598993	993787713	/nfs/dbraw/zinc/78/77/13/993787713.db2.gz	YUXGZTFSZUWWQA-UHFFFAOYSA-N	-1	0	299.326	3.466	20	30		CGEDRM
COc1cccc(O)c1C=Nc1cc(C(=O)[O-])ccc1C	ZINC001599680586	994974473	/nfs/dbraw/zinc/97/44/73/994974473.db2.gz	YZTZUIRFWUOQOA-UHFFFAOYSA-N	-1	0	285.299	3.158	20	30		CGEDRM
COC/C(C)=C/CSCc1cccc(C(=O)[O-])c1C#N	ZINC001599160531	998449692	/nfs/dbraw/zinc/44/96/92/998449692.db2.gz	YFENNISZRONZPH-IZZDOVSWSA-N	-1	0	291.372	3.082	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N[C@H](C#N)C1CCCCC1	ZINC001599376040	998487551	/nfs/dbraw/zinc/48/75/51/998487551.db2.gz	VAYUTOKFYOVHPD-CQSZACIVSA-N	-1	0	288.347	3.278	20	30		CGEDRM
N#CC1(CN=c2[n-]nc(Cc3ccccc3)s2)CCCC1	ZINC000593484791	347085195	/nfs/dbraw/zinc/08/51/95/347085195.db2.gz	NVLCVKIGRHZVHX-UHFFFAOYSA-N	-1	0	298.415	3.047	20	30		CGEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000051897148	345093801	/nfs/dbraw/zinc/09/38/01/345093801.db2.gz	NZNNUIFDVDHVCD-VIFPVBQESA-N	-1	0	291.401	3.269	20	30		CGEDRM
CCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000254386624	346395148	/nfs/dbraw/zinc/39/51/48/346395148.db2.gz	KERZFWHQJGDXBC-UHFFFAOYSA-N	-1	0	286.287	3.450	20	30		CGEDRM
CC(C)CCc1n[n-]c(=NCc2cc(C#N)cs2)s1	ZINC000594744369	347215551	/nfs/dbraw/zinc/21/55/51/347215551.db2.gz	ZGUVVWKPCLYBCY-UHFFFAOYSA-N	-1	0	292.433	3.094	20	30		CGEDRM
C[C@H](CC#N)C(=O)Nc1ccc(C(C)(C)C)cc1O	ZINC000597624362	347585404	/nfs/dbraw/zinc/58/54/04/347585404.db2.gz	HSTLDLSOVHRTHG-SNVBAGLBSA-N	-1	0	260.337	3.178	20	30		CGEDRM
C[C@H]1C[C@H]1c1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000601064107	347862236	/nfs/dbraw/zinc/86/22/36/347862236.db2.gz	MKRSFROGXDHOIP-SMDDNHRTSA-N	-1	0	296.374	3.028	20	30		CGEDRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1sccc1C#N	ZINC000601983910	347931267	/nfs/dbraw/zinc/93/12/67/347931267.db2.gz	QXHXQARBQYSINU-AWEZNQCLSA-N	-1	0	294.376	3.085	20	30		CGEDRM
CCCCc1[n-]n(-c2ccc(C#N)cc2)c(=O)c1C	ZINC000601930096	347925190	/nfs/dbraw/zinc/92/51/90/347925190.db2.gz	AHYQEKFTRMJNMK-LLVKDONJSA-N	-1	0	255.321	3.087	20	30		CGEDRM
CC(=Cc1cscc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000619096346	349201800	/nfs/dbraw/zinc/20/18/00/349201800.db2.gz	OEXDJOZZUNEFQP-CLTKARDFSA-N	-1	0	291.763	3.225	20	30		CGEDRM
CCc1nocc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000626355880	350297985	/nfs/dbraw/zinc/29/79/85/350297985.db2.gz	GWCDPOQHLZONOJ-VIFPVBQESA-N	-1	0	289.360	3.307	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000630951920	350914360	/nfs/dbraw/zinc/91/43/60/350914360.db2.gz	QTBDJGXBISOHIQ-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
COCc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041515654	369189311	/nfs/dbraw/zinc/18/93/11/369189311.db2.gz	RQRWUPOWBFOPPS-CYBMUJFWSA-N	-1	0	286.356	3.088	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(C)c2)n1	ZINC000041519706	369189698	/nfs/dbraw/zinc/18/96/98/369189698.db2.gz	DPIIALDDKHVVRF-LBPRGKRZSA-N	-1	0	256.330	3.250	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cscn2)s1	ZINC000430583765	372390814	/nfs/dbraw/zinc/39/08/14/372390814.db2.gz	NFWIJIHXICRKHY-QMMMGPOBSA-N	-1	0	291.401	3.387	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000450404461	374105618	/nfs/dbraw/zinc/10/56/18/374105618.db2.gz	NJLVMIWFSMEFDA-UHFFFAOYSA-N	-1	0	284.699	3.105	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1	ZINC000188879446	375286443	/nfs/dbraw/zinc/28/64/43/375286443.db2.gz	XNRMXZHNGNIXGI-JKSUJKDBSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CCCOc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000190459714	375512735	/nfs/dbraw/zinc/51/27/35/375512735.db2.gz	FLTDBHBPQVISSG-UHFFFAOYSA-N	-1	0	296.326	3.305	20	30		CGEDRM
CC[C@@H](C)Oc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1	ZINC000354459362	380447491	/nfs/dbraw/zinc/44/74/91/380447491.db2.gz	DQZXLVXSMFJCNO-IUODEOHRSA-N	-1	0	295.342	3.144	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1nccc2ccccc21	ZINC000361530297	381788616	/nfs/dbraw/zinc/78/86/16/381788616.db2.gz	IVDBFCRZXJRDAN-CYBMUJFWSA-N	-1	0	262.268	3.318	20	30		CGEDRM
N#C[C@H](Sc1ncccc1C(=O)[O-])C1CCCCC1	ZINC000739074431	572473014	/nfs/dbraw/zinc/47/30/14/572473014.db2.gz	JDRMWPBMPKBPOX-LBPRGKRZSA-N	-1	0	276.361	3.344	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1	ZINC000647377312	392711462	/nfs/dbraw/zinc/71/14/62/392711462.db2.gz	CKODLJTXEUASTB-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1	ZINC000647379513	392711672	/nfs/dbraw/zinc/71/16/72/392711672.db2.gz	OTLWZYMVULFEMS-LBPRGKRZSA-N	-1	0	283.356	3.214	20	30		CGEDRM
Cc1cc(/C=C/c2cc(C(=O)[O-])ccn2)ccc1C#N	ZINC000520622590	392923314	/nfs/dbraw/zinc/92/33/14/392923314.db2.gz	SNBSKTIPEKIVJQ-HWKANZROSA-N	-1	0	264.284	3.130	20	30		CGEDRM
C=CC[C@@H](Cc1ccccc1)N=c1[n-]nc(C(C)C)o1	ZINC000413581695	393026752	/nfs/dbraw/zinc/02/67/52/393026752.db2.gz	QXUNNGDVWIDQAQ-AWEZNQCLSA-N	-1	0	271.364	3.214	20	30		CGEDRM
Cc1c2cccc(F)c2oc1C([O-])=C(C#N)c1ccncn1	ZINC000680617245	543719925	/nfs/dbraw/zinc/71/99/25/543719925.db2.gz	KLCYULKXZCRVFK-LLVKDONJSA-N	-1	0	295.273	3.160	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)ns1	ZINC000683689450	543931941	/nfs/dbraw/zinc/93/19/41/543931941.db2.gz	WEDWNHGURDXSCK-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(C(C)C)n2)n1	ZINC000354486799	227012851	/nfs/dbraw/zinc/01/28/51/227012851.db2.gz	BPAUFJQPOAFOMV-NSHDSACASA-N	-1	0	285.372	3.460	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000659244085	418965935	/nfs/dbraw/zinc/96/59/35/418965935.db2.gz	AKTKJIMVVFSWFN-UHFFFAOYSA-N	-1	0	275.348	3.168	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1C	ZINC000353554751	228119686	/nfs/dbraw/zinc/11/96/86/228119686.db2.gz	LMZSUOAGVOPMRY-ZDUSSCGKSA-N	-1	0	293.326	3.273	20	30		CGEDRM
N#CC1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCCCC1	ZINC000184349283	262017511	/nfs/dbraw/zinc/01/75/11/262017511.db2.gz	OYLCKBIIXDDKBY-UHFFFAOYSA-N	-1	0	296.729	3.141	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C(C)C)oc2C)n1	ZINC000353419302	263023652	/nfs/dbraw/zinc/02/36/52/263023652.db2.gz	LBHGIXVRZJAAPK-JTQLQIEISA-N	-1	0	289.360	3.361	20	30		CGEDRM
CC[C@@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000094079815	265216155	/nfs/dbraw/zinc/21/61/55/265216155.db2.gz	UOEHQVUTEPOTKF-VIFPVBQESA-N	-1	0	288.734	3.231	20	30		CGEDRM
CC(=Cc1cccc(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193610846	270079326	/nfs/dbraw/zinc/07/93/26/270079326.db2.gz	IVJPFRHUMNIOMW-TWGQIWQCSA-N	-1	0	285.734	3.164	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2nccc3ccccc32)n[nH]1	ZINC000361530522	266840599	/nfs/dbraw/zinc/84/05/99/266840599.db2.gz	KEZCKYNYAKPBDO-CQSZACIVSA-N	-1	0	290.326	3.010	20	30		CGEDRM
CC(C)c1nc(/C=C/c2ccc(C#N)cc2)ncc1C(=O)[O-]	ZINC000172488260	321942100	/nfs/dbraw/zinc/94/21/00/321942100.db2.gz	NIGLNUWKLDMIAI-BQYQJAHWSA-N	-1	0	293.326	3.340	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000263170296	330047204	/nfs/dbraw/zinc/04/72/04/330047204.db2.gz	FUFOFFFBGRJDON-NEPJUHHUSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000263336437	330052377	/nfs/dbraw/zinc/05/23/77/330052377.db2.gz	QYXGMNKKPPNZPD-LBPRGKRZSA-N	-1	0	275.348	3.168	20	30		CGEDRM
N#CCC1(CN=c2nc(C3CCCCC3)[n-]s2)CC1	ZINC000580418721	330128464	/nfs/dbraw/zinc/12/84/64/330128464.db2.gz	DVEAOUMTYIJGRJ-UHFFFAOYSA-N	-1	0	276.409	3.113	20	30		CGEDRM
Cc1ccccc1-c1nc(=N[C@H]2CC[C@@H](CC#N)C2)s[n-]1	ZINC000528032390	330305332	/nfs/dbraw/zinc/30/53/32/330305332.db2.gz	YJHHOICHUQKQMS-STQMWFEESA-N	-1	0	298.415	3.430	20	30		CGEDRM
CCc1nc(=N[C@@H](CCCC#N)c2ccccc2)s[n-]1	ZINC000431490069	330585519	/nfs/dbraw/zinc/58/55/19/330585519.db2.gz	XJIIJLHGFKRNQQ-ZDUSSCGKSA-N	-1	0	286.404	3.369	20	30		CGEDRM
C=CCn1cccc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000488944592	332034592	/nfs/dbraw/zinc/03/45/92/332034592.db2.gz	QALSQIYKZVDQMT-UHFFFAOYSA-N	-1	0	276.723	3.285	20	30		CGEDRM
C=C(CC)CSc1n[n-]c(=NCC(C)C)s1	ZINC000381396446	336061406	/nfs/dbraw/zinc/06/14/06/336061406.db2.gz	AGPWAEHZPYERNS-UHFFFAOYSA-N	-1	0	257.428	3.086	20	30		CGEDRM
C=CC(C)(C)CNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000384847549	336132734	/nfs/dbraw/zinc/13/27/34/336132734.db2.gz	KLLBRECZOBEXCA-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
Cc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1C#N	ZINC000435762833	534015101	/nfs/dbraw/zinc/01/51/01/534015101.db2.gz	UGGKQQBUGZMUHJ-HYXAFXHYSA-N	-1	0	270.313	3.192	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])ccc2C)CCC1	ZINC000263050947	534592620	/nfs/dbraw/zinc/59/26/20/534592620.db2.gz	FLBOXCIPGCFFTM-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
COc1ccc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000738069622	571701097	/nfs/dbraw/zinc/70/10/97/571701097.db2.gz	NOQKHAJEYTXJLN-HNNXBMFYSA-N	-1	0	299.351	3.485	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000738493835	571805399	/nfs/dbraw/zinc/80/53/99/571805399.db2.gz	SREZLDDSQCPNMW-UONOGXRCSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C=CCCCCCN(C)C(=O)C1CCC(NC(=O)[O-])CC1	ZINC000738493772	571805422	/nfs/dbraw/zinc/80/54/22/571805422.db2.gz	QZOYTFYOEBNXMU-UHFFFAOYSA-N	-1	0	296.411	3.018	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000730148941	571951851	/nfs/dbraw/zinc/95/18/51/571951851.db2.gz	QHMWASKKZKKKRL-VOTSOKGWSA-N	-1	0	288.324	3.351	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C/c2ccoc2C(=O)[O-])c1	ZINC000738357483	572372654	/nfs/dbraw/zinc/37/26/54/572372654.db2.gz	IXVGBTFFEHYEKS-ONEGZZNKSA-N	-1	0	270.284	3.491	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738471214	572377559	/nfs/dbraw/zinc/37/75/59/572377559.db2.gz	RHXTWJCNFXTKMY-UHFFFAOYSA-N	-1	0	295.314	3.346	20	30		CGEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@H]2c2ccco2)cc1	ZINC000739104433	572401919	/nfs/dbraw/zinc/40/19/19/572401919.db2.gz	GHGGSIOBHCJBPS-GOEBONIOSA-N	-1	0	296.326	3.114	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2nccc3ccccc32)cc1	ZINC000740760033	572455508	/nfs/dbraw/zinc/45/55/08/572455508.db2.gz	JRHHJRCEYFEHFQ-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(C#N)c1	ZINC000743501784	572667618	/nfs/dbraw/zinc/66/76/18/572667618.db2.gz	RLDMEIHFXQYSPN-HPAYWCODSA-N	-1	0	295.298	3.352	20	30		CGEDRM
C=CCCCCCN(C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735408181	572719767	/nfs/dbraw/zinc/71/97/67/572719767.db2.gz	GZRBDUYOQQJSHF-UHFFFAOYSA-N	-1	0	271.368	3.049	20	30		CGEDRM
C=CCNC(=S)Nc1sc(C(C)(C)C)cc1C(=O)[O-]	ZINC000736106186	572768227	/nfs/dbraw/zinc/76/82/27/572768227.db2.gz	SHZVSGRGEWXNIZ-UHFFFAOYSA-N	-1	0	298.433	3.216	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736094939	572768270	/nfs/dbraw/zinc/76/82/70/572768270.db2.gz	AQMJPIAWAFIBLC-UHFFFAOYSA-N	-1	0	295.314	3.346	20	30		CGEDRM
CC#CCN(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000736118479	572769120	/nfs/dbraw/zinc/76/91/20/572769120.db2.gz	TZLWJCRVCMQUMN-GFCCVEGCSA-N	-1	0	286.158	3.074	20	30		CGEDRM
C=CCOc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1	ZINC000736113784	572769146	/nfs/dbraw/zinc/76/91/46/572769146.db2.gz	GAYASJHBNCYJBM-FOWTUZBSSA-N	-1	0	281.311	3.272	20	30		CGEDRM
C[C@H](CC(=O)[O-])SCc1cc(Cl)ccc1OCC#N	ZINC000736551257	572798343	/nfs/dbraw/zinc/79/83/43/572798343.db2.gz	CKPQFAARACNOCK-SECBINFHSA-N	-1	0	299.779	3.339	20	30		CGEDRM
O=[N+]([O-])c1ccc(C=NNc2ccccc2Cl)cc1[O-]	ZINC000748131680	572962150	/nfs/dbraw/zinc/96/21/50/572962150.db2.gz	LZQWLSGHLVIFMU-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410469	572975873	/nfs/dbraw/zinc/97/58/73/572975873.db2.gz	NEIQHEAWCKXOHO-WCQYABFASA-N	-1	0	272.348	3.419	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000748439909	572977311	/nfs/dbraw/zinc/97/73/11/572977311.db2.gz	BBVXPSZEQRECRB-AATRIKPKSA-N	-1	0	297.335	3.143	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000136015236	600274672	/nfs/dbraw/zinc/27/46/72/600274672.db2.gz	COYGHZGDYNKSOV-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
CN(Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1C#N	ZINC000111025886	600810298	/nfs/dbraw/zinc/81/02/98/600810298.db2.gz	KCQZBNGNNKZYLY-UHFFFAOYSA-N	-1	0	284.290	3.032	20	30		CGEDRM
O=C([O-])c1occc1/C=C1/CCc2cc(F)ccc2C1=O	ZINC000833355084	601294604	/nfs/dbraw/zinc/29/46/04/601294604.db2.gz	HUIHOTZDGYPXSJ-YFHOEESVSA-N	-1	0	286.258	3.329	20	30		CGEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@H]2c2ccco2)c1	ZINC000833074263	601319052	/nfs/dbraw/zinc/31/90/52/601319052.db2.gz	TURNDQACCBYLMB-HOCLYGCPSA-N	-1	0	296.326	3.114	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000829618842	601332512	/nfs/dbraw/zinc/33/25/12/601332512.db2.gz	KVFRWTUWRJUSKD-YRNVUSSQSA-N	-1	0	298.342	3.065	20	30		CGEDRM
CCCCC[C@@H](/N=C/c1cccc(OCC)c1O)C(=O)[O-]	ZINC000829311400	601365438	/nfs/dbraw/zinc/36/54/38/601365438.db2.gz	FHLCYPJLWYFGLT-VVBXCHJUSA-N	-1	0	293.363	3.243	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F	ZINC000825671640	601450844	/nfs/dbraw/zinc/45/08/44/601450844.db2.gz	YHQNUPLHDJCURS-UHFFFAOYSA-N	-1	0	299.273	3.281	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1CON=Cc1cccs1	ZINC000833031261	601628897	/nfs/dbraw/zinc/62/88/97/601628897.db2.gz	JZJKZOMHEVPJPB-UHFFFAOYSA-N	-1	0	281.358	3.367	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1CSc1cc(C#N)ccn1	ZINC000235846874	601674489	/nfs/dbraw/zinc/67/44/89/601674489.db2.gz	RVHAWBJZCNBVEW-UHFFFAOYSA-N	-1	0	290.369	3.314	20	30		CGEDRM
Cc1ccc(C)c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832925673	601792081	/nfs/dbraw/zinc/79/20/81/601792081.db2.gz	ZXNOQCLJTBEKTF-AATRIKPKSA-N	-1	0	269.300	3.226	20	30		CGEDRM
CCCCCCCCCNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000829356686	601802949	/nfs/dbraw/zinc/80/29/49/601802949.db2.gz	HCYVECCHNVDWCK-ZIAGYGMSSA-N	-1	0	298.427	3.099	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1cc(C(=O)[O-])oc1C	ZINC000825664811	602283665	/nfs/dbraw/zinc/28/36/65/602283665.db2.gz	MKIOPCCUZQAEMU-UHFFFAOYSA-N	-1	0	278.304	3.098	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000825664997	602283709	/nfs/dbraw/zinc/28/37/09/602283709.db2.gz	SGYBFSNESNHUMV-CQSZACIVSA-N	-1	0	292.306	3.263	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000825664490	602290890	/nfs/dbraw/zinc/29/08/90/602290890.db2.gz	BOCFVJUCDOLSCE-UHFFFAOYSA-N	-1	0	265.334	3.153	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000825660050	602290917	/nfs/dbraw/zinc/29/09/17/602290917.db2.gz	ORHJODZJOCAMGD-UHFFFAOYSA-N	-1	0	279.361	3.462	20	30		CGEDRM
C=C(C)CCOC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823474598	603518169	/nfs/dbraw/zinc/51/81/69/603518169.db2.gz	QHGLRTXTMHSBOL-UHFFFAOYSA-N	-1	0	263.293	3.208	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Oc1ccc(NC(=O)[O-])cc1)OCC	ZINC000833368641	604543503	/nfs/dbraw/zinc/54/35/03/604543503.db2.gz	OACKKPRSAUEWAE-CYBMUJFWSA-N	-1	0	293.319	3.053	20	30		CGEDRM
C[C@H](c1ccco1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833550981	604605072	/nfs/dbraw/zinc/60/50/72/604605072.db2.gz	ZWEVIILEAJWBPI-LLVKDONJSA-N	-1	0	284.315	3.042	20	30		CGEDRM
Cc1ncsc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833010835	604630706	/nfs/dbraw/zinc/63/07/06/604630706.db2.gz	WZQGAFJCECQACD-SREVYHEPSA-N	-1	0	273.313	3.046	20	30		CGEDRM
C=CCN(Cc1ccc(C(=O)[O-])cc1F)CC(F)(F)F	ZINC000833374439	604756399	/nfs/dbraw/zinc/75/63/99/604756399.db2.gz	JNPZAWZJWWVQOX-UHFFFAOYSA-N	-1	0	291.244	3.074	20	30		CGEDRM
N#Cc1c(Cl)nsc1Oc1cccc(C(=O)[O-])c1	ZINC000833760836	604822616	/nfs/dbraw/zinc/82/26/16/604822616.db2.gz	FAFBMZNOIDDDQZ-UHFFFAOYSA-N	-1	0	280.692	3.159	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000134984264	604873452	/nfs/dbraw/zinc/87/34/52/604873452.db2.gz	JSECSFZACNCGAF-GFCCVEGCSA-N	-1	0	290.338	3.025	20	30		CGEDRM
CCCCCCCC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000109077667	604909619	/nfs/dbraw/zinc/90/96/19/604909619.db2.gz	GCPBGJDPPLEUFH-UHFFFAOYSA-N	-1	0	264.325	3.079	20	30		CGEDRM
C=CCN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CC1	ZINC000162377163	604927508	/nfs/dbraw/zinc/92/75/08/604927508.db2.gz	FJAVWQPRCSJVEI-UHFFFAOYSA-N	-1	0	294.738	3.221	20	30		CGEDRM
COc1ccc(C#N)cc1CNc1ccc(C(=O)[O-])c(C)c1	ZINC000832153003	604984782	/nfs/dbraw/zinc/98/47/82/604984782.db2.gz	SXDLYNHDOVZWLM-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000812443161	605101072	/nfs/dbraw/zinc/10/10/72/605101072.db2.gz	NTUBEXFNXVLGOY-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C/C(=C\CSc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000833386220	605262867	/nfs/dbraw/zinc/26/28/67/605262867.db2.gz	YXTGCWQJLLHSMV-VMPITWQZSA-N	-1	0	267.737	3.335	20	30		CGEDRM
COc1cccc(N=NC(C)C[C@H]2CCCN2C(=O)[O-])c1	ZINC000829572289	605464054	/nfs/dbraw/zinc/46/40/54/605464054.db2.gz	XXGBMQYMHFPEBJ-CYBMUJFWSA-N	-1	0	291.351	3.016	20	30		CGEDRM
C#CCCCCCC(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC000833361641	605580019	/nfs/dbraw/zinc/58/00/19/605580019.db2.gz	FSMDHTOSKNFEJL-UHFFFAOYSA-N	-1	0	299.370	3.248	20	30		CGEDRM
N#CCCN(Cc1cc(C(=O)[O-])ccc1Cl)CC1CC1	ZINC000833760406	605839461	/nfs/dbraw/zinc/83/94/61/605839461.db2.gz	QMBUJRQNYROJGB-UHFFFAOYSA-N	-1	0	292.766	3.164	20	30		CGEDRM
O=C([O-])Nc1cccc(CON=Cc2ccc(F)cc2)c1	ZINC000834269803	605992239	/nfs/dbraw/zinc/99/22/39/605992239.db2.gz	RQCVAKZLRSYMSC-UHFFFAOYSA-N	-1	0	288.278	3.466	20	30		CGEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)C1CC1	ZINC000049514037	617613333	/nfs/dbraw/zinc/61/33/33/617613333.db2.gz	OXDIFCYKWKUMSJ-SNVBAGLBSA-N	-1	0	273.398	3.042	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1CC=CCC1	ZINC000042300744	620741120	/nfs/dbraw/zinc/74/11/20/620741120.db2.gz	QEPJVEPLYLANMG-JTQLQIEISA-N	-1	0	299.779	3.342	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cccnc1C)CC2	ZINC000255067852	617896640	/nfs/dbraw/zinc/89/66/40/617896640.db2.gz	OUSVLORMRLXRAK-XYOKQWHBSA-N	-1	0	297.310	3.202	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC1	ZINC000048418428	617939565	/nfs/dbraw/zinc/93/95/65/617939565.db2.gz	DLUJGHLIGNLXMN-CMDGGOBGSA-N	-1	0	299.779	3.342	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC(C)C	ZINC000121050397	617942865	/nfs/dbraw/zinc/94/28/65/617942865.db2.gz	UZYTUUMSHWRGCC-CYBMUJFWSA-N	-1	0	282.343	3.414	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)CSCc1cccc(Cl)c1	ZINC000846541640	618090378	/nfs/dbraw/zinc/09/03/78/618090378.db2.gz	JTKWPAOIKIBCPR-SNVBAGLBSA-N	-1	0	285.796	3.196	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NC2(C(=O)[O-])CCCC2)c1	ZINC000900355014	620781854	/nfs/dbraw/zinc/78/18/54/620781854.db2.gz	FNTLTAGXXKKFAY-UHFFFAOYSA-N	-1	0	288.347	3.239	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)c(CC)s1	ZINC000042344543	620794240	/nfs/dbraw/zinc/79/42/40/620794240.db2.gz	JILYFGJIBDEBLR-UHFFFAOYSA-N	-1	0	289.422	3.053	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2cccs2)c1	ZINC000022769053	618415482	/nfs/dbraw/zinc/41/54/82/618415482.db2.gz	AVOONVSGCMQIPE-NTEUORMPSA-N	-1	0	276.317	3.024	20	30		CGEDRM
Cc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176814022	618739546	/nfs/dbraw/zinc/73/95/46/618739546.db2.gz	LVAORUKILNEQCD-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
Cc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F	ZINC000255640990	618770936	/nfs/dbraw/zinc/77/09/36/618770936.db2.gz	OUQNACXQKOHCMQ-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
O=C(/C=C\c1cc(F)c(F)c(F)c1)c1ccc(O)cc1[O-]	ZINC000255738156	618783380	/nfs/dbraw/zinc/78/33/80/618783380.db2.gz	YLLCQDQEWWEJJE-RJRFIUFISA-N	-1	0	294.228	3.411	20	30		CGEDRM
CC[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179739528	618800075	/nfs/dbraw/zinc/80/00/75/618800075.db2.gz	ZZOPUWISNYBFNJ-AWEZNQCLSA-N	-1	0	280.327	3.396	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(F)nc2)c([O-])c1	ZINC000186418868	619070326	/nfs/dbraw/zinc/07/03/26/619070326.db2.gz	BCBKPHVERQBWHW-ZZXKWVIFSA-N	-1	0	257.264	3.131	20	30		CGEDRM
C=CC[C@@H](C)Nc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000162864270	619221175	/nfs/dbraw/zinc/22/11/75/619221175.db2.gz	ONEHWTATIXWAOU-SSDOTTSWSA-N	-1	0	277.349	3.074	20	30		CGEDRM
CCCCCCCCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000147265742	619411134	/nfs/dbraw/zinc/41/11/34/619411134.db2.gz	QUTDIAJVIFORBV-UHFFFAOYSA-N	-1	0	298.427	3.290	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cccc2ccccc21	ZINC000048518512	619502437	/nfs/dbraw/zinc/50/24/37/619502437.db2.gz	KUHUTCQDPTTXAL-UHFFFAOYSA-N	-1	0	291.372	3.274	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518955	619502948	/nfs/dbraw/zinc/50/29/48/619502948.db2.gz	XWUFFRCUJNZGQB-MRVPVSSYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1ccc(CC(=O)[O-])cc1	ZINC000793144494	619685420	/nfs/dbraw/zinc/68/54/20/619685420.db2.gz	CVTDUPDRMOABOB-LLVKDONJSA-N	-1	0	263.337	3.100	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000262826532	620275016	/nfs/dbraw/zinc/27/50/16/620275016.db2.gz	FKYYSIALVRMFTE-AWEZNQCLSA-N	-1	0	289.375	3.133	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2C[C@H]3CC[C@@H](C2)S3)c1	ZINC000899230479	620628146	/nfs/dbraw/zinc/62/81/46/620628146.db2.gz	IDWPUWCSUOESSS-UDQJAICKSA-N	-1	0	292.360	3.146	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cnn(C2CCC2)c1	ZINC000901120001	620834134	/nfs/dbraw/zinc/83/41/34/620834134.db2.gz	SMVAAGBHHPZENN-UHFFFAOYSA-N	-1	0	298.346	3.142	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccnn1C1CCC1	ZINC000901119654	620834260	/nfs/dbraw/zinc/83/42/60/620834260.db2.gz	PEANBDTUJWTLCX-UHFFFAOYSA-N	-1	0	298.346	3.142	20	30		CGEDRM
COc1ccc(C(=O)C=Cc2nc(C(C)C)c[nH]2)c([O-])c1	ZINC000901482836	620892950	/nfs/dbraw/zinc/89/29/50/620892950.db2.gz	XLJVIQOEIFDFAD-VOTSOKGWSA-N	-1	0	286.331	3.143	20	30		CGEDRM
CCCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000901499305	620903613	/nfs/dbraw/zinc/90/36/13/620903613.db2.gz	QUZNAYPWYSIPQU-BENRWUELSA-N	-1	0	293.370	3.463	20	30		CGEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1c([O-])cccc1F	ZINC000901561725	620930418	/nfs/dbraw/zinc/93/04/18/620930418.db2.gz	XBNYZLKXOJDONH-SREVYHEPSA-N	-1	0	288.322	3.280	20	30		CGEDRM
C=C(Cl)C[C@H](N[C@@H](C)c1cc2cnccc2o1)C(=O)[O-]	ZINC000901937729	621069921	/nfs/dbraw/zinc/06/99/21/621069921.db2.gz	DGINJIOSBVIMPM-ONGXEEELSA-N	-1	0	294.738	3.074	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000907547356	622301176	/nfs/dbraw/zinc/30/11/76/622301176.db2.gz	RMBGPGWPOJUYLM-RISCZKNCSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21	ZINC000909955545	622440796	/nfs/dbraw/zinc/44/07/96/622440796.db2.gz	ABLRZXCDFWEGCU-MELADBBJSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000910360400	622477785	/nfs/dbraw/zinc/47/77/85/622477785.db2.gz	AAHFATGDWNCEAP-LBPRGKRZSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C1	ZINC000910739531	622502181	/nfs/dbraw/zinc/50/21/81/622502181.db2.gz	AGPDURYXKUOGDQ-UHFFFAOYSA-N	-1	0	292.360	3.014	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910922590	622509265	/nfs/dbraw/zinc/50/92/65/622509265.db2.gz	KVSYJBLBIVGTMK-ZFWWWQNUSA-N	-1	0	289.375	3.024	20	30		CGEDRM
CC(=NOC1CCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814936459	625574712	/nfs/dbraw/zinc/57/47/12/625574712.db2.gz	TVAFTOVPTRSIDL-PWSUYJOCSA-N	-1	0	253.342	3.068	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccnc1C)CC2	ZINC000171419255	623161187	/nfs/dbraw/zinc/16/11/87/623161187.db2.gz	OUSVLORMRLXRAK-WQLSENKSSA-N	-1	0	297.310	3.202	20	30		CGEDRM
CCC(=NOC(C)C)c1cc(C(=O)[O-])ccc1F	ZINC000835000998	623850485	/nfs/dbraw/zinc/85/04/85/623850485.db2.gz	BCANRUKDCWKMJJ-UHFFFAOYSA-N	-1	0	253.273	3.063	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NN[C@H]1CCCC1(C)C	ZINC000814917714	623960401	/nfs/dbraw/zinc/96/04/01/623960401.db2.gz	PEYFRKGQPXIWKR-WZRBSPASSA-N	-1	0	266.385	3.032	20	30		CGEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)cc1	ZINC000073086803	624067551	/nfs/dbraw/zinc/06/75/51/624067551.db2.gz	VBORTGLPVZTWLN-LLVKDONJSA-N	-1	0	299.392	3.023	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc(Cl)cc2)c1	ZINC000916255314	624125498	/nfs/dbraw/zinc/12/54/98/624125498.db2.gz	RDPNEHQGNGLYTR-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2ccccc2OCC(=O)[O-])c1	ZINC000916604753	624189770	/nfs/dbraw/zinc/18/97/70/624189770.db2.gz	OVNXDQKYPQOIKU-UHFFFAOYSA-N	-1	0	298.342	3.213	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Cc3c(cccc3F)C2=O)cc1	ZINC000921264680	624578377	/nfs/dbraw/zinc/57/83/77/624578377.db2.gz	XATFRMMINGMBHQ-XYOKQWHBSA-N	-1	0	282.270	3.346	20	30		CGEDRM
C[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)OC1CCCC1	ZINC000175066147	624611116	/nfs/dbraw/zinc/61/11/16/624611116.db2.gz	AADOZZADBRLKKI-VJCPFXPRSA-N	-1	0	295.766	3.339	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000170851960	624656080	/nfs/dbraw/zinc/65/60/80/624656080.db2.gz	KWEGBFABGINGLE-FNORWQNLSA-N	-1	0	267.259	3.299	20	30		CGEDRM
O=C(/C=C/c1cccc2nccn21)c1ccc(F)cc1[O-]	ZINC000180315671	624736568	/nfs/dbraw/zinc/73/65/68/624736568.db2.gz	MLVMEVVJSKQNNS-FNORWQNLSA-N	-1	0	282.274	3.075	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])c(OC)c1	ZINC000184517371	625242695	/nfs/dbraw/zinc/24/26/95/625242695.db2.gz	GWFUPIUJFJDLDY-GQCTYLIASA-N	-1	0	290.340	3.367	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923093444	626129978	/nfs/dbraw/zinc/12/99/78/626129978.db2.gz	UFQBJXHQTXUSJO-UHFFFAOYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
CC(C)(CCC#N)CN=Nc1ccc(C(=O)[O-])cc1	ZINC000755454577	626624138	/nfs/dbraw/zinc/62/41/38/626624138.db2.gz	GZQMZOHGTBQLBY-UHFFFAOYSA-N	-1	0	259.309	3.112	20	30		CGEDRM
CCC(=NO[C@H]1CCCCO1)c1ccc(C(=O)[O-])cc1	ZINC000755823677	626651314	/nfs/dbraw/zinc/65/13/14/626651314.db2.gz	NCXXFKZIXRJOGX-AWEZNQCLSA-N	-1	0	277.320	3.042	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000757468748	626781030	/nfs/dbraw/zinc/78/10/30/626781030.db2.gz	VGKQLBAJIMTRJJ-XQRVVYSFSA-N	-1	0	294.713	3.123	20	30		CGEDRM
Cc1ccc(F)c(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000757473554	626781369	/nfs/dbraw/zinc/78/13/69/626781369.db2.gz	YBMXGISPXCHWHX-CLTKARDFSA-N	-1	0	272.275	3.441	20	30		CGEDRM
CN(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1	ZINC000757475492	626782118	/nfs/dbraw/zinc/78/21/18/626782118.db2.gz	KVUFZAMTYSVAEV-BJMVGYQFSA-N	-1	0	285.318	3.493	20	30		CGEDRM
C[C@@H]1C[C@H]1CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000758360023	626837525	/nfs/dbraw/zinc/83/75/25/626837525.db2.gz	TZJYAOBOHYIWKS-SFYZADRCSA-N	-1	0	252.701	3.092	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H](C)c2cccc(Cl)c2)n1	ZINC000763339802	627153023	/nfs/dbraw/zinc/15/30/23/627153023.db2.gz	RXACNJLHUSRBOF-SECBINFHSA-N	-1	0	290.754	3.345	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccc3ccccc3c2)nc1	ZINC000763368491	627154244	/nfs/dbraw/zinc/15/42/44/627154244.db2.gz	MKFUONABIIVTLX-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763371879	627154712	/nfs/dbraw/zinc/15/47/12/627154712.db2.gz	LCUFYXAJQZTBMW-UHFFFAOYSA-N	-1	0	269.304	3.006	20	30		CGEDRM
Cc1[nH]c2ccccc2c1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763372000	627154754	/nfs/dbraw/zinc/15/47/54/627154754.db2.gz	OVIMJOCBRKSSGO-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1ccc(OC)cc1[O-]	ZINC000764442332	627207845	/nfs/dbraw/zinc/20/78/45/627207845.db2.gz	OLWYQSZMPFRQEG-WAYWQWQTSA-N	-1	0	290.340	3.367	20	30		CGEDRM
CC(=NNc1ccccc1F)c1sccc1[O-]	ZINC000769775220	627577450	/nfs/dbraw/zinc/57/74/50/627577450.db2.gz	RDAYEGURTLEEGA-UHFFFAOYSA-N	-1	0	250.298	3.429	20	30		CGEDRM
CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1	ZINC000125133190	634600296	/nfs/dbraw/zinc/60/02/96/634600296.db2.gz	AHBPUUVMOJFQRI-FBJMNJBLSA-N	-1	0	285.303	3.266	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\CCc3c(O)cccc3C2=O)c1	ZINC000774130668	627948915	/nfs/dbraw/zinc/94/89/15/627948915.db2.gz	MPOUPTIFRVZYRS-FMIVXFBMSA-N	-1	0	294.306	3.303	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774134410	627949182	/nfs/dbraw/zinc/94/91/82/627949182.db2.gz	BSTWNNIDOYJNLW-WAYWQWQTSA-N	-1	0	256.257	3.182	20	30		CGEDRM
CC(CCCC(F)(F)F)=NNc1nc(=O)cc(C)[nH]1	ZINC000774301051	627973953	/nfs/dbraw/zinc/97/39/53/627973953.db2.gz	JTIGGSVSBSPLOK-UHFFFAOYSA-N	-1	0	276.262	3.011	20	30		CGEDRM
O=C([O-])c1cccc([N-][NH+]=C2CCCNc3ccccc32)c1	ZINC000774311508	627975361	/nfs/dbraw/zinc/97/53/61/627975361.db2.gz	NQBYXXJQLGVLLA-UHFFFAOYSA-N	-1	0	295.342	3.407	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1F	ZINC000776726262	628227298	/nfs/dbraw/zinc/22/72/98/628227298.db2.gz	IAHAPMUHMOGSSV-BAQGIRSFSA-N	-1	0	295.269	3.292	20	30		CGEDRM
CC1(C)C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)O1	ZINC000777874042	628305811	/nfs/dbraw/zinc/30/58/11/628305811.db2.gz	YJEARRPKBZMIHY-LWLPBDFMSA-N	-1	0	292.335	3.065	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/CCc3ccccc3C2=O)ccc1O	ZINC000779358821	628409475	/nfs/dbraw/zinc/40/94/75/628409475.db2.gz	WKZPVQWKEFDAEU-LCYFTJDESA-N	-1	0	294.306	3.303	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\Cc3cc(F)ccc3C2=O)c1	ZINC000782201222	628624285	/nfs/dbraw/zinc/62/42/85/628624285.db2.gz	RASZIPRNAGVZCJ-WEVVVXLNSA-N	-1	0	288.299	3.408	20	30		CGEDRM
O=C([O-])c1csc(C=CC(=O)c2c[nH]c3ncccc23)c1	ZINC000782207802	628624763	/nfs/dbraw/zinc/62/47/63/628624763.db2.gz	RMTJXXDLIZKRPU-ONEGZZNKSA-N	-1	0	298.323	3.219	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000782327665	628638972	/nfs/dbraw/zinc/63/89/72/628638972.db2.gz	HCTNPUGOKRRCIB-VURMDHGXSA-N	-1	0	299.301	3.052	20	30		CGEDRM
CC(C)(C#N)CCCOC(=O)c1cc(F)c([O-])c(F)c1	ZINC000783960420	628760218	/nfs/dbraw/zinc/76/02/18/628760218.db2.gz	VJKLCBZCPHWHQX-UHFFFAOYSA-N	-1	0	283.274	3.157	20	30		CGEDRM
CC[C@@H](NN=C(C)CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000793070770	629407350	/nfs/dbraw/zinc/40/73/50/629407350.db2.gz	DSQJTSFOPIQXSF-CQSZACIVSA-N	-1	0	276.380	3.183	20	30		CGEDRM
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000119199943	629448919	/nfs/dbraw/zinc/44/89/19/629448919.db2.gz	VLRHXKQBJDEXSS-NEPJUHHUSA-N	-1	0	298.367	3.376	20	30		CGEDRM
CCOC1CC(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000794854632	629589582	/nfs/dbraw/zinc/58/95/82/629589582.db2.gz	JZOUFKBZQZQYSR-UHFFFAOYSA-N	-1	0	296.754	3.251	20	30		CGEDRM
O=C([N-]CC1(C(F)(F)F)CCCC1)C(F)(F)C(F)F	ZINC000863508932	629594394	/nfs/dbraw/zinc/59/43/94/629594394.db2.gz	OVCUGODNQDNRDM-UHFFFAOYSA-N	-1	0	295.198	3.126	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC000864160457	629787692	/nfs/dbraw/zinc/78/76/92/629787692.db2.gz	MLLLHXPUMCYJDH-JTQLQIEISA-N	-1	0	293.750	3.076	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)CCCCC)C(=O)[O-]	ZINC000864187501	629794998	/nfs/dbraw/zinc/79/49/98/629794998.db2.gz	MIQRJVXOQWTLBZ-QWHCGFSZSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)/C=C/C1CCCCCC1)C(=O)[O-]	ZINC000864187313	629795175	/nfs/dbraw/zinc/79/51/75/629795175.db2.gz	IUAGSCFSXFJNHR-HBWSCVEGSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H](CC)CCCC)C(=O)[O-]	ZINC000864184951	629795188	/nfs/dbraw/zinc/79/51/88/629795188.db2.gz	ULBRNAUIRAPQKY-RYUDHWBXSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C/C1CCCCCC1)C(=O)[O-]	ZINC000864186400	629796039	/nfs/dbraw/zinc/79/60/39/629796039.db2.gz	OMQUWTZZYSVGSU-MMQHEFTJSA-N	-1	0	299.798	3.225	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1nc(C)c(C)s1	ZINC000799636087	630205165	/nfs/dbraw/zinc/20/51/65/630205165.db2.gz	FTUNAJRMUPLTCL-UHFFFAOYSA-N	-1	0	290.454	3.472	20	30		CGEDRM
Cn1cnc(/C=C/C(=O)c2cc(Cl)c(Cl)cc2[O-])c1	ZINC000800794296	630297874	/nfs/dbraw/zinc/29/78/74/630297874.db2.gz	BIRXJSQSPAUXPC-NSCUHMNNSA-N	-1	0	297.141	3.329	20	30		CGEDRM
CCCC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000807981915	630610825	/nfs/dbraw/zinc/61/08/25/630610825.db2.gz	OWDIKPQIEWSCKT-SNVBAGLBSA-N	-1	0	263.341	3.394	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C\c2cccc(F)c2C#N)c1	ZINC000811692737	631110611	/nfs/dbraw/zinc/11/06/11/631110611.db2.gz	HKXGIKLRMZZDOB-ALCCZGGFSA-N	-1	0	297.285	3.308	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000811694574	631110804	/nfs/dbraw/zinc/11/08/04/631110804.db2.gz	WWLJIWKCDUZVPB-QPJJXVBHSA-N	-1	0	283.258	3.005	20	30		CGEDRM
COc1ccc(F)cc1/C=C/C(=O)c1ccccc1[O-]	ZINC000812243460	631231577	/nfs/dbraw/zinc/23/15/77/631231577.db2.gz	MSQIMQZKVVOWQZ-SOFGYWHQSA-N	-1	0	272.275	3.436	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cccc(O)c2Cl)cc1	ZINC000814680936	631620903	/nfs/dbraw/zinc/62/09/03/631620903.db2.gz	PBYOPQQJDGFKEZ-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
Cc1cc(C)nc(N=NC(C)CCCCCCC(=O)[O-])n1	ZINC000814681469	631621785	/nfs/dbraw/zinc/62/17/85/631621785.db2.gz	NRWVYUVWFIKAEQ-UHFFFAOYSA-N	-1	0	292.383	3.306	20	30		CGEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2ccccc2)C1	ZINC000814684032	631622039	/nfs/dbraw/zinc/62/20/39/631622039.db2.gz	ASMDCPGGXFMRNK-UHFFFAOYSA-N	-1	0	280.327	3.271	20	30		CGEDRM
CC1(C)OCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814690197	631623839	/nfs/dbraw/zinc/62/38/39/631623839.db2.gz	XTKQJGADMUAIEE-UHFFFAOYSA-N	-1	0	282.727	3.005	20	30		CGEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2cccc(F)c2)C1	ZINC000814814838	631647404	/nfs/dbraw/zinc/64/74/04/631647404.db2.gz	BOIZHFSQYKCDSL-UHFFFAOYSA-N	-1	0	298.317	3.410	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ccc(F)cn1	ZINC000814843027	631654129	/nfs/dbraw/zinc/65/41/29/631654129.db2.gz	XITFLOFTTHJOTH-UHFFFAOYSA-N	-1	0	299.305	3.071	20	30		CGEDRM
CC(=NOCC(C)C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814884387	631665144	/nfs/dbraw/zinc/66/51/44/631665144.db2.gz	VXKUMTMITTYWSQ-UHFFFAOYSA-N	-1	0	293.363	3.327	20	30		CGEDRM
C[C@@H]1C(=NO[C@@H]2CCCCO2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814887929	631666801	/nfs/dbraw/zinc/66/68/01/631666801.db2.gz	SZJYYTHINLRGCA-NTZNESFSSA-N	-1	0	283.368	3.043	20	30		CGEDRM
C[C@@H]1C(N=Nc2cc(Cl)ccn2)CC[C@@H]1CC(=O)[O-]	ZINC000814898607	631669885	/nfs/dbraw/zinc/66/98/85/631669885.db2.gz	PZLMTNZAHURFDD-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NOCc1ccc(F)cc1	ZINC000814903350	631673692	/nfs/dbraw/zinc/67/36/92/631673692.db2.gz	FOIUHYMBQIWEEM-CMPLNLGQSA-N	-1	0	279.311	3.219	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2N=Nc1cccc(F)n1	ZINC000814928062	631686073	/nfs/dbraw/zinc/68/60/73/631686073.db2.gz	UHOFRMLGPDGAPR-UHFFFAOYSA-N	-1	0	299.305	3.071	20	30		CGEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OC[C@H](C)CC	ZINC000816978309	632066994	/nfs/dbraw/zinc/06/69/94/632066994.db2.gz	QMQGNWWEJMTCDA-OLZOCXBDSA-N	-1	0	272.389	3.052	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC3(C2)CCCCC3)nc1	ZINC000817325754	632121647	/nfs/dbraw/zinc/12/16/47/632121647.db2.gz	HCJOSMGUDLFODB-UHFFFAOYSA-N	-1	0	273.336	3.292	20	30		CGEDRM
N#CC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CC2(CC2)C1	ZINC000866662956	633229175	/nfs/dbraw/zinc/22/91/75/633229175.db2.gz	IXOFBLIRYYTZSQ-UHFFFAOYSA-N	-1	0	299.355	3.139	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1cccc(-c2nn[nH]n2)c1	ZINC000824939917	633307655	/nfs/dbraw/zinc/30/76/55/633307655.db2.gz	XZVTZGRZTXSBNP-YPMHNXCESA-N	-1	0	284.367	3.091	20	30		CGEDRM
CC(C)(C)C(C)(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689916	633626540	/nfs/dbraw/zinc/62/65/40/633626540.db2.gz	DDRCXMCXXXIDHU-UHFFFAOYSA-N	-1	0	260.337	3.041	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1	ZINC000870691361	633627958	/nfs/dbraw/zinc/62/79/58/633627958.db2.gz	OOUNZBCQFNWKPI-ZSHCYNCHSA-N	-1	0	284.359	3.185	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830332688	633851619	/nfs/dbraw/zinc/85/16/19/633851619.db2.gz	YQPYXUBCRKVIHK-UHFFFAOYSA-N	-1	0	279.311	3.275	20	30		CGEDRM
CCCC[C@@](C)(F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831271782	633935557	/nfs/dbraw/zinc/93/55/57/633935557.db2.gz	MJIBCPGGPMTVBV-CQSZACIVSA-N	-1	0	264.300	3.121	20	30		CGEDRM
CC1(C=Nn2c(=O)c3ccccc3[n-]c2=S)CCCC1	ZINC000872339708	634110881	/nfs/dbraw/zinc/11/08/81/634110881.db2.gz	VHEJGKXHJIGGRZ-UHFFFAOYSA-N	-1	0	287.388	3.099	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCCOC1	ZINC000872379556	634126212	/nfs/dbraw/zinc/12/62/12/634126212.db2.gz	CIERBNLISSTESC-NSHDSACASA-N	-1	0	294.326	3.128	20	30		CGEDRM
C#CCN(C(=O)c1c(C)ccc(C)c1C(=O)[O-])C1CCCC1	ZINC000872953469	634224743	/nfs/dbraw/zinc/22/47/43/634224743.db2.gz	IFMVFEADXLASCF-UHFFFAOYSA-N	-1	0	299.370	3.020	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCOC3(CCC3)C2)cc1F	ZINC000835008188	634312446	/nfs/dbraw/zinc/31/24/46/634312446.db2.gz	CSPXEGBSKSUBHX-UHFFFAOYSA-N	-1	0	292.310	3.025	20	30		CGEDRM
N#C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835009052	634313688	/nfs/dbraw/zinc/31/36/88/634313688.db2.gz	QOLPLVYLBYOESN-SECBINFHSA-N	-1	0	275.283	3.006	20	30		CGEDRM
C[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011351	634315085	/nfs/dbraw/zinc/31/50/85/634315085.db2.gz	DVJLDLACZPXIFL-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
N#CC(=C([O-])C=C[C@H]1CCOC1)c1nc2ccccc2s1	ZINC000835040084	634329841	/nfs/dbraw/zinc/32/98/41/634329841.db2.gz	NZAUILNTPHFVIF-CYLBZQBVSA-N	-1	0	298.367	3.065	20	30		CGEDRM
CC(C)(C)C1CC(C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000837495520	634919785	/nfs/dbraw/zinc/91/97/85/634919785.db2.gz	BHVXGMWQRZRFNK-UHFFFAOYSA-N	-1	0	272.348	3.275	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C(F)(F)F)CCCC2)c1	ZINC000841410862	635174439	/nfs/dbraw/zinc/17/44/39/635174439.db2.gz	LTHCEKUZGPLTDU-UHFFFAOYSA-N	-1	0	298.264	3.325	20	30		CGEDRM
CC(CCCCC#N)N=Nc1ccccc1C(=O)[O-]	ZINC000841613596	635197327	/nfs/dbraw/zinc/19/73/27/635197327.db2.gz	DCJQHQYNIQWLKZ-UHFFFAOYSA-N	-1	0	259.309	3.257	20	30		CGEDRM
COc1cccc(OC)c1/C=C\C(=O)c1ccccc1[O-]	ZINC000004896327	635578305	/nfs/dbraw/zinc/57/83/05/635578305.db2.gz	CDYOMHRXXAWYOO-KHPPLWFESA-N	-1	0	284.311	3.306	20	30		CGEDRM
COC1(CN=Nc2cccc(C(=O)[O-])c2C)CCCCC1	ZINC000844622213	635944897	/nfs/dbraw/zinc/94/48/97/635944897.db2.gz	AAUALTVZVGTFRA-UHFFFAOYSA-N	-1	0	290.363	3.440	20	30		CGEDRM
Cc1c(N=NC(C)[C@]2(C)CCCO2)cccc1C(=O)[O-]	ZINC000844623711	635945404	/nfs/dbraw/zinc/94/54/04/635945404.db2.gz	QORVVMWWSIKEIE-HNNXBMFYSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(F)c2)CCCC1	ZINC000846538246	636195412	/nfs/dbraw/zinc/19/54/12/636195412.db2.gz	SFJQYYRCARTWBG-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1ccc(Cl)s1	ZINC000846544539	636197392	/nfs/dbraw/zinc/19/73/92/636197392.db2.gz	BRCIISZBGFIITE-SFYZADRCSA-N	-1	0	259.758	3.127	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(OC)cc2)CCCC1	ZINC000846551128	636199849	/nfs/dbraw/zinc/19/98/49/636199849.db2.gz	RDYPGYXGRRAEDQ-ZDUSSCGKSA-N	-1	0	289.375	3.129	20	30		CGEDRM
CC(C)C[C@H](C)CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415156	636571437	/nfs/dbraw/zinc/57/14/37/636571437.db2.gz	YAJGNFAOJQLEPI-LBPRGKRZSA-N	-1	0	262.353	3.394	20	30		CGEDRM
CCO[C@H]1C[C@H](/N=C/c2cc(Cl)ccc2O)C1	ZINC000849170078	636761554	/nfs/dbraw/zinc/76/15/54/636761554.db2.gz	KSMFZZJFXHAWGI-KRDHVXDDSA-N	-1	0	253.729	3.032	20	30		CGEDRM
N#Cc1cc(NC2CCC(C(=O)[O-])CC2)ccc1C1CC1	ZINC000883518147	636776834	/nfs/dbraw/zinc/77/68/34/636776834.db2.gz	MTACZZLKLNOOHT-UHFFFAOYSA-N	-1	0	284.359	3.491	20	30		CGEDRM
O=C(/C=C\c1ccnn1CC1CC1)c1ccc(F)cc1[O-]	ZINC000849246758	636778630	/nfs/dbraw/zinc/77/86/30/636778630.db2.gz	KSCFRJAHPNZYSS-XQRVVYSFSA-N	-1	0	286.306	3.034	20	30		CGEDRM
CC#Cc1cccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])c1	ZINC000849475771	636825824	/nfs/dbraw/zinc/82/58/24/636825824.db2.gz	GIUYOSFJZWJCCW-UHFFFAOYSA-N	-1	0	282.343	3.375	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000851599664	637458233	/nfs/dbraw/zinc/45/82/33/637458233.db2.gz	ABERCZZZWGIAML-KBPBESRZSA-N	-1	0	283.412	3.306	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(Cl)cn2)CC[C@H]1C(=O)[O-]	ZINC000853436318	637841301	/nfs/dbraw/zinc/84/13/01/637841301.db2.gz	XIBOLOXOXNFAKW-GZMMTYOYSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000856992848	638424103	/nfs/dbraw/zinc/42/41/03/638424103.db2.gz	DCAFYYZDJWTCGP-JTQLQIEISA-N	-1	0	298.408	3.379	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccsc2)c1	ZINC000042271565	639915707	/nfs/dbraw/zinc/91/57/07/639915707.db2.gz	ZRHIAAZEPSBCJU-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC(C)(C)C	ZINC000077880336	640265393	/nfs/dbraw/zinc/26/53/93/640265393.db2.gz	APTRXEJMVQNVFH-NSHDSACASA-N	-1	0	283.393	3.470	20	30		CGEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)C1CC=CC1	ZINC000083791433	640599894	/nfs/dbraw/zinc/59/98/94/640599894.db2.gz	NHXTXJHTQHAYIX-UHFFFAOYSA-N	-1	0	299.779	3.093	20	30		CGEDRM
Fc1ccc(-c2n[n-]c(=S)n2N=Cc2ccco2)cc1	ZINC000254704979	640913259	/nfs/dbraw/zinc/91/32/59/640913259.db2.gz	VMMSXGFHCMVZHG-UHFFFAOYSA-N	-1	0	288.307	3.222	20	30		CGEDRM
C=C[C@H](Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-]	ZINC000301053032	963062361	/nfs/dbraw/zinc/06/23/61/963062361.db2.gz	XIMNLHVWIRFVBO-QMMMGPOBSA-N	-1	0	264.083	3.184	20	30		CGEDRM
C#CCCNc1ccc(Cl)c(C(=O)[O-])c1Cl	ZINC001588453789	963279520	/nfs/dbraw/zinc/27/95/20/963279520.db2.gz	UCNOHNCQPNPWSR-UHFFFAOYSA-N	-1	0	258.104	3.127	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccc(CCC(=O)[O-])cc2)c1	ZINC001250633783	805739736	/nfs/dbraw/zinc/73/97/36/805739736.db2.gz	FZOMYBKBVGFFGB-UHFFFAOYSA-N	-1	0	269.275	3.382	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3c([nH]2)c(F)cc(F)c3F)c1	ZINC001251180179	805859520	/nfs/dbraw/zinc/85/95/20/805859520.db2.gz	HKNNLZXMCKCJPH-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)s2)ccc1C(=O)[O-]	ZINC001211654985	814926490	/nfs/dbraw/zinc/92/64/90/814926490.db2.gz	INWBZFNJQKMUTM-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)cc2)s1	ZINC001252093006	805991104	/nfs/dbraw/zinc/99/11/04/805991104.db2.gz	RRZGANNSQZQXEN-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=CCC[C@H](O)CNc1ccc2[n-]c(=S)sc2c1	ZINC001252607689	806084393	/nfs/dbraw/zinc/08/43/93/806084393.db2.gz	QCSGYJKOROKPJB-JTQLQIEISA-N	-1	0	280.418	3.324	20	30		CGEDRM
C=CCN(C(=O)c1s[n-]c(=O)c1Cl)c1ccccc1	ZINC001160488790	806278973	/nfs/dbraw/zinc/27/89/73/806278973.db2.gz	AAPVLMVWTMGSIM-UHFFFAOYSA-N	-1	0	294.763	3.335	20	30		CGEDRM
Cc1cccc(-c2nnc(-c3ccc(C#N)cc3[O-])o2)c1	ZINC001253716606	806284134	/nfs/dbraw/zinc/28/41/34/806284134.db2.gz	BFRQRVKGVDJDNR-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1	ZINC000046927393	798891512	/nfs/dbraw/zinc/89/15/12/798891512.db2.gz	NUFOTADSPFWZJP-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000125671771	799002832	/nfs/dbraw/zinc/00/28/32/799002832.db2.gz	UICCUZNKONYDSR-OAHLLOKOSA-N	-1	0	286.375	3.014	20	30		CGEDRM
CCc1ccc(CC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176409967	799096030	/nfs/dbraw/zinc/09/60/30/799096030.db2.gz	ZJQWGDOOYTUOIQ-UHFFFAOYSA-N	-1	0	280.327	3.007	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1O	ZINC000255314554	799170840	/nfs/dbraw/zinc/17/08/40/799170840.db2.gz	GGXLKORDRVGTPY-DJWKRKHSSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC000397026451	799513234	/nfs/dbraw/zinc/51/32/34/799513234.db2.gz	NDXWMJYALGWSLC-OLZOCXBDSA-N	-1	0	269.385	3.059	20	30		CGEDRM
C#Cc1cccc(NCc2ccc(F)c(F)c2[O-])c1	ZINC000703293735	799921296	/nfs/dbraw/zinc/92/12/96/799921296.db2.gz	DQFMQGWGRWRVCO-UHFFFAOYSA-N	-1	0	259.255	3.264	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(C(=O)[O-])c1)C2	ZINC000809154333	800413477	/nfs/dbraw/zinc/41/34/77/800413477.db2.gz	SDXWFCKFEGLLSD-NTUHNPAUSA-N	-1	0	294.306	3.221	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/c1cc(C#N)ccn1	ZINC001117350112	802462802	/nfs/dbraw/zinc/46/28/02/802462802.db2.gz	HQPHWFPCJVTIPP-ONEGZZNKSA-N	-1	0	278.311	3.439	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C23CCC(CC2)CC3)c1	ZINC001120625663	802754577	/nfs/dbraw/zinc/75/45/77/802754577.db2.gz	FAZKHUXOWHIIPS-UHFFFAOYSA-N	-1	0	270.332	3.173	20	30		CGEDRM
N#Cc1ccc(-c2ccc3oc(=S)[n-]c3c2)c(N)c1	ZINC001244089911	803179073	/nfs/dbraw/zinc/17/90/73/803179073.db2.gz	KMDXEBQFLLUFTO-UHFFFAOYSA-N	-1	0	267.313	3.237	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc3c(C#N)c[nH]c3c2)c1	ZINC001244173802	803223911	/nfs/dbraw/zinc/22/39/11/803223911.db2.gz	WPDUCRVAMJNLJS-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(C#N)cc3[nH]ccc32)c1	ZINC001244177992	803227595	/nfs/dbraw/zinc/22/75/95/803227595.db2.gz	SURBAAUAKVNJKG-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#CCc1cnc(F)c(-c2cc(F)c([O-])c(Cl)c2)c1	ZINC001244503851	803408413	/nfs/dbraw/zinc/40/84/13/803408413.db2.gz	JREXNHIVUWQAQP-UHFFFAOYSA-N	-1	0	280.661	3.452	20	30		CGEDRM
CCc1nc(C#N)c(C#N)nc1-c1cc(C)c([O-])c(Cl)c1	ZINC001244537975	803425080	/nfs/dbraw/zinc/42/50/80/803425080.db2.gz	HQPLZAYKTFHWDC-UHFFFAOYSA-N	-1	0	298.733	3.117	20	30		CGEDRM
CCc1nc(C#N)cc(-c2ccc(Cl)c([O-])c2F)n1	ZINC001244631438	803473634	/nfs/dbraw/zinc/47/36/34/803473634.db2.gz	ZSKGATGHYUXNLY-UHFFFAOYSA-N	-1	0	277.686	3.076	20	30		CGEDRM
N#Cc1ccc2c(c1)nccc2-c1cc(C(=O)[O-])cnc1F	ZINC001244761112	803522631	/nfs/dbraw/zinc/52/26/31/803522631.db2.gz	JAJFRHDQGVBGKV-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1ccc(-c2cc(C(=O)[O-])cnc2F)c(C)c1C#N	ZINC001244763714	803523723	/nfs/dbraw/zinc/52/37/23/803523723.db2.gz	OOXGPFXHGQGRBN-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1ccnc(-c2cc(C)c(C(=O)[O-])c(C)c2)c1C#N	ZINC001244946217	803586643	/nfs/dbraw/zinc/58/66/43/803586643.db2.gz	WJSPUEBLAMQAAB-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cc(-c2cccnc2CC#N)cc(C)c1C(=O)[O-]	ZINC001244948258	803587849	/nfs/dbraw/zinc/58/78/49/803587849.db2.gz	GKTXHJUWVPDJOX-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
N#Cc1cc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)ncn1	ZINC001245000193	803608970	/nfs/dbraw/zinc/60/89/70/803608970.db2.gz	NMEUPIWTGMROOV-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1ncncc1-c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001245001805	803609026	/nfs/dbraw/zinc/60/90/26/803609026.db2.gz	XDSWMQHSWIAZAN-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ncc2c(c1C#N)CCC2	ZINC001245296184	803693264	/nfs/dbraw/zinc/69/32/64/803693264.db2.gz	BETWAEHAKHPFQU-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(C2(C#N)CC2)cn1	ZINC001245297331	803693389	/nfs/dbraw/zinc/69/33/89/803693389.db2.gz	LHIBSCCFUMXJQS-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2Cl)c1	ZINC001245373498	803718911	/nfs/dbraw/zinc/71/89/11/803718911.db2.gz	YEWVTTADJHVJCI-UHFFFAOYSA-N	-1	0	282.686	3.449	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211960956	814961668	/nfs/dbraw/zinc/96/16/68/814961668.db2.gz	POULESFJMZIALE-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1c([O-])cccc1F	ZINC001245652980	803883362	/nfs/dbraw/zinc/88/33/62/803883362.db2.gz	CFPZLKLYKITTLO-UHFFFAOYSA-N	-1	0	269.279	3.129	20	30		CGEDRM
COc1cc(C#N)nc(-c2cc(Cl)c([O-])cc2F)c1	ZINC001245667511	803895738	/nfs/dbraw/zinc/89/57/38/803895738.db2.gz	IMUFKYMTZJMEIM-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1cc(-c2cc(Cl)c([O-])cc2F)ncc1C#N	ZINC001245668399	803896675	/nfs/dbraw/zinc/89/66/75/803896675.db2.gz	REWVBZBBBIRLJW-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cnc(-c2c(F)ccc([O-])c2Cl)c(C#N)c1	ZINC001245827312	803982930	/nfs/dbraw/zinc/98/29/30/803982930.db2.gz	ODTVUEQQZMUNHK-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cnc2ccc(-c3c(F)ccc([O-])c3Cl)cn12	ZINC001245833020	803989028	/nfs/dbraw/zinc/98/90/28/803989028.db2.gz	WYAJKMISQHCPMU-UHFFFAOYSA-N	-1	0	287.681	3.371	20	30		CGEDRM
Cc1ccc(-c2cc(=O)n(-c3ccccc3C#N)[n-]2)cc1	ZINC001245919051	804047058	/nfs/dbraw/zinc/04/70/58/804047058.db2.gz	JGWSDTHNFADNSN-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
Cc1ccccc1-c1cc(=O)n(-c2ccccc2C#N)[n-]1	ZINC001245937353	804067090	/nfs/dbraw/zinc/06/70/90/804067090.db2.gz	VZBYQBMKYMDEHN-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(C3CCCC3)[n-]2)cc1	ZINC001245936658	804067121	/nfs/dbraw/zinc/06/71/21/804067121.db2.gz	DDWBILJIGYMVEI-UHFFFAOYSA-N	-1	0	253.305	3.242	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248557891	804953458	/nfs/dbraw/zinc/95/34/58/804953458.db2.gz	XSBSKRPROQHGTJ-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212511126	815044198	/nfs/dbraw/zinc/04/41/98/815044198.db2.gz	UALGUTUFBZOKHR-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C	ZINC001144590336	805011064	/nfs/dbraw/zinc/01/10/64/805011064.db2.gz	ZVRXYNLVNNAUHM-RISCZKNCSA-N	-1	0	297.782	3.366	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC001144640308	805018001	/nfs/dbraw/zinc/01/80/01/805018001.db2.gz	QOFMTMAPTGKPEK-ZDUSSCGKSA-N	-1	0	291.391	3.375	20	30		CGEDRM
CCc1ccccc1C(=O)Nc1ccc(C#N)cc1O	ZINC001148410840	805181184	/nfs/dbraw/zinc/18/11/84/805181184.db2.gz	DPPPPXVMXHBCOI-UHFFFAOYSA-N	-1	0	266.300	3.079	20	30		CGEDRM
Cc1cc(Nc2cc([O-])c(F)c(F)c2F)cnc1C#N	ZINC001249961508	805329338	/nfs/dbraw/zinc/32/93/38/805329338.db2.gz	RWJDNDUJWRRAEH-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249963786	805330746	/nfs/dbraw/zinc/33/07/46/805330746.db2.gz	URXDHZQKZYSZQA-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Cc1ccccc1C#N	ZINC001250044957	805384543	/nfs/dbraw/zinc/38/45/43/805384543.db2.gz	OZYUBJCWHCKVFR-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
CCOc1ncc(Nc2scc([O-])c2C#N)cc1F	ZINC001212830173	815149389	/nfs/dbraw/zinc/14/93/89/815149389.db2.gz	QTTKNVCAPJGBGY-UHFFFAOYSA-N	-1	0	279.296	3.002	20	30		CGEDRM
C=C[C@@H]1C[C@]1(Nc1cc(F)ccc1[S-])C(=O)OCC	ZINC001170928609	807937050	/nfs/dbraw/zinc/93/70/50/807937050.db2.gz	REOSSEXCYAZJOI-YMTOWFKASA-N	-1	0	281.352	3.034	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001263616488	807978867	/nfs/dbraw/zinc/97/88/67/807978867.db2.gz	XKZOTICFLLUBED-JTQLQIEISA-N	-1	0	291.738	3.109	20	30		CGEDRM
CCCCCCCC[C@H](CC)[NH2+]CCOP(=O)([O-])[O-]	ZINC001172502927	808358301	/nfs/dbraw/zinc/35/83/01/808358301.db2.gz	NIGVLGFJXXEGBM-ZDUSSCGKSA-N	-1	0	295.360	3.215	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)cc1F	ZINC001173927221	808766042	/nfs/dbraw/zinc/76/60/42/808766042.db2.gz	WUPASGTXZXKGFN-UHFFFAOYSA-N	-1	0	252.245	3.347	20	30		CGEDRM
N#Cc1cnc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Cl)c1	ZINC001174495852	809043342	/nfs/dbraw/zinc/04/33/42/809043342.db2.gz	YCNGYFSZQZOQPA-SNAWJCMRSA-N	-1	0	299.717	3.448	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cccc(C)c1C#N	ZINC001174676976	809126903	/nfs/dbraw/zinc/12/69/03/809126903.db2.gz	FGZAKDHSIHYFHF-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(Nc2sccc2C#N)ccc1C(=O)[O-]	ZINC001174681235	809129260	/nfs/dbraw/zinc/12/92/60/809129260.db2.gz	ORFZIVPLCQRGEA-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(Nc2ccc(C)c(C#N)c2)ccc1C(=O)[O-]	ZINC001174685706	809131024	/nfs/dbraw/zinc/13/10/24/809131024.db2.gz	WJJTUCNFSYXOQX-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccc(C(=O)[O-])s1	ZINC001174809617	809169224	/nfs/dbraw/zinc/16/92/24/809169224.db2.gz	MVASKGWOJOEQJF-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1F	ZINC001174953775	809213121	/nfs/dbraw/zinc/21/31/21/809213121.db2.gz	NUGLCTQFTDFHRR-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953049	809213510	/nfs/dbraw/zinc/21/35/10/809213510.db2.gz	HASFZUYJZNPBFS-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C)ccnc1C#N	ZINC001174982126	809224989	/nfs/dbraw/zinc/22/49/89/809224989.db2.gz	LGKNZVPSLTZVEK-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175159008	809292200	/nfs/dbraw/zinc/29/22/00/809292200.db2.gz	VRMSBYHFLMGWMB-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175220965	809312938	/nfs/dbraw/zinc/31/29/38/809312938.db2.gz	VAUAHTZXVQTKHM-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001175221790	809314147	/nfs/dbraw/zinc/31/41/47/809314147.db2.gz	MKLFOHJWNVVKJS-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1F	ZINC001175398968	809391892	/nfs/dbraw/zinc/39/18/92/809391892.db2.gz	AYUFSGXRBXQBPY-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(F)c(F)c2[O-])c1	ZINC001175688909	809504968	/nfs/dbraw/zinc/50/49/68/809504968.db2.gz	FTXBHKHXFWGSKZ-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
Cc1cc(C)c(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001213518453	815295852	/nfs/dbraw/zinc/29/58/52/815295852.db2.gz	PIHTXKALQQZZHF-UHFFFAOYSA-N	-1	0	257.268	3.158	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccnc(Br)c1	ZINC001175746681	809530487	/nfs/dbraw/zinc/53/04/87/809530487.db2.gz	UTUFNOVTQRHJAH-UHFFFAOYSA-N	-1	0	296.149	3.226	20	30		CGEDRM
COc1cc(Nc2sc(C)cc2C#N)cc(C(=O)[O-])c1	ZINC001213585250	815306559	/nfs/dbraw/zinc/30/65/59/815306559.db2.gz	PTWQJLZBWZKFCD-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1C#N	ZINC001176672088	809739990	/nfs/dbraw/zinc/73/99/90/809739990.db2.gz	DMBDUDBUBSCJRI-UHFFFAOYSA-N	-1	0	289.216	3.296	20	30		CGEDRM
COc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(C#N)c1	ZINC001213629870	815314118	/nfs/dbraw/zinc/31/41/18/815314118.db2.gz	VESIRFXUTOAEKX-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
N#Cc1cc(NC(=O)[C@H]2CCc3ccccc32)c([O-])cc1F	ZINC001181761590	810071020	/nfs/dbraw/zinc/07/10/20/810071020.db2.gz	NDNYFYBUVSJCNV-ZDUSSCGKSA-N	-1	0	296.301	3.071	20	30		CGEDRM
N#Cc1cc(NC(=O)C2CC3(C2)CC(F)(F)C3)ccc1O	ZINC001184202063	810182135	/nfs/dbraw/zinc/18/21/35/810182135.db2.gz	GJSZRAZFYCHWGQ-UHFFFAOYSA-N	-1	0	292.285	3.028	20	30		CGEDRM
Cc1cc2ccc(NC(=O)c3cccc(C#N)c3[O-])cc2[nH]1	ZINC001193652438	810928685	/nfs/dbraw/zinc/92/86/85/810928685.db2.gz	HZAAFYRTJZFOEG-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
C=CCOC(=O)Nc1ccc(F)c(Br)c1[O-]	ZINC001194323561	811052350	/nfs/dbraw/zinc/05/23/50/811052350.db2.gz	GHNQIJCSPMTOSJ-UHFFFAOYSA-N	-1	0	290.088	3.028	20	30		CGEDRM
CC#C[C@@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225886372	817207314	/nfs/dbraw/zinc/20/73/14/817207314.db2.gz	XNBYELVNUOUKAK-ZCFIWIBFSA-N	-1	0	262.202	3.129	20	30		CGEDRM
Cc1cc2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc2[nH]1	ZINC001195757731	811288188	/nfs/dbraw/zinc/28/81/88/811288188.db2.gz	FVWPUPAPXXCJMW-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cc2[O-])c2ccccc21	ZINC001195764867	811289760	/nfs/dbraw/zinc/28/97/60/811289760.db2.gz	SNCDYKLSDAGTAC-BZNIZROVSA-N	-1	0	292.338	3.242	20	30		CGEDRM
COc1ccccc1NC(=S)Nc1cc(C#N)ccc1[O-]	ZINC001196252070	811326969	/nfs/dbraw/zinc/32/69/69/811326969.db2.gz	PSIDUNBHUBDAOS-UHFFFAOYSA-N	-1	0	299.355	3.081	20	30		CGEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccn1	ZINC001198004280	811472708	/nfs/dbraw/zinc/47/27/08/811472708.db2.gz	CPEQNCNZBGAWOX-UHFFFAOYSA-N	-1	0	288.372	3.224	20	30		CGEDRM
COc1ccc(Nc2ccnc(Cl)c2[O-])cc1C#N	ZINC001214997550	815474808	/nfs/dbraw/zinc/47/48/08/815474808.db2.gz	YHFAOWZEHQIIEH-UHFFFAOYSA-N	-1	0	275.695	3.064	20	30		CGEDRM
N#Cc1ccc(Cl)c(Nc2cc(C(=O)[O-])cnc2F)c1	ZINC001215130369	815486982	/nfs/dbraw/zinc/48/69/82/815486982.db2.gz	RIAOUQRHSLGBGU-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccsc1C(=O)[O-]	ZINC001215395579	815515912	/nfs/dbraw/zinc/51/59/12/815515912.db2.gz	MSIHUXCLEFKJQE-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ccnc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001215695015	815559486	/nfs/dbraw/zinc/55/94/86/815559486.db2.gz	WRINUYOGFDYFAV-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1noc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c1C#N	ZINC001215695050	815559716	/nfs/dbraw/zinc/55/97/16/815559716.db2.gz	YCDPPZCGKYJNLF-UHFFFAOYSA-N	-1	0	295.657	3.089	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc(F)c(C(=O)[O-])c3F)c12	ZINC001205096045	812863929	/nfs/dbraw/zinc/86/39/29/812863929.db2.gz	VLKJYEGUSIUXCW-UHFFFAOYSA-N	-1	0	299.236	3.030	20	30		CGEDRM
COc1cc(-c2ccsc2C(=O)[O-])ccc1CC#N	ZINC001205580742	813011986	/nfs/dbraw/zinc/01/19/86/813011986.db2.gz	XXFULIGHDZBUCI-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#Cc1cc(F)c(Nc2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001209888465	814188275	/nfs/dbraw/zinc/18/82/75/814188275.db2.gz	FEUFYPHATRWXKA-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209887245	814188494	/nfs/dbraw/zinc/18/84/94/814188494.db2.gz	XRWMYIIOELWILK-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001209890018	814189810	/nfs/dbraw/zinc/18/98/10/814189810.db2.gz	ZIAKFXISZTVCAM-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1ccc(Nc2c(C)cccc2C#N)cc1C(=O)[O-]	ZINC001209903482	814195108	/nfs/dbraw/zinc/19/51/08/814195108.db2.gz	PKLUODGXJPKVLJ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(OC)c(C(=O)[O-])c2)c1	ZINC001209903085	814195367	/nfs/dbraw/zinc/19/53/67/814195367.db2.gz	VOWVQTHWRHNJHP-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)c(F)c1	ZINC001210070635	814273017	/nfs/dbraw/zinc/27/30/17/814273017.db2.gz	HLMRXFKGKJUSMW-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1cc(Nc2cccc(CC(=O)[O-])c2)ccc1F	ZINC001210070872	814273367	/nfs/dbraw/zinc/27/33/67/814273367.db2.gz	MSDGAZIYSLJQIH-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210242953	814361430	/nfs/dbraw/zinc/36/14/30/814361430.db2.gz	VILBHCYQDNSUHR-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1F	ZINC001210242299	814362098	/nfs/dbraw/zinc/36/20/98/814362098.db2.gz	GSJOBIOEYUGUFM-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])ccc2OC)cc1	ZINC001210259451	814370395	/nfs/dbraw/zinc/37/03/95/814370395.db2.gz	GIMVEVPSDMOMJX-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(F)c([O-])c1	ZINC001211218053	814852987	/nfs/dbraw/zinc/85/29/87/814852987.db2.gz	KBVIYOMLBDASRW-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
N#Cc1cc(Nc2c(F)cc([O-])cc2F)cc([N+](=O)[O-])c1	ZINC001211334489	814880821	/nfs/dbraw/zinc/88/08/21/814880821.db2.gz	SGCIPLLAGBURBX-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cnn2C(C)(C)C)cc(C(=O)[O-])c1	ZINC001211534615	814901793	/nfs/dbraw/zinc/90/17/93/814901793.db2.gz	APUJFWWYKOPGIJ-UHFFFAOYSA-N	-1	0	298.346	3.260	20	30		CGEDRM
Cc1ccc(Nc2cnc(C#N)c(C)c2)cc1C(=O)[O-]	ZINC001211599392	814915414	/nfs/dbraw/zinc/91/54/14/814915414.db2.gz	JFCNEOUVDJNJHZ-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1nc(Cl)ccc1C#N	ZINC001211618556	814918472	/nfs/dbraw/zinc/91/84/72/814918472.db2.gz	FSIOFBZQMNSORP-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(C#N)cnc1C	ZINC001211618902	814918782	/nfs/dbraw/zinc/91/87/82/814918782.db2.gz	XAJOASGSADCAOW-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(Nc2ccc(O)cc2C#N)cc(C)c1C(=O)[O-]	ZINC001216312981	815775646	/nfs/dbraw/zinc/77/56/46/815775646.db2.gz	WCQJFVZPCHCLQR-UHFFFAOYSA-N	-1	0	282.299	3.323	20	30		CGEDRM
Cc1c(Nc2sccc2C#N)cccc1C(=O)[O-]	ZINC001216657373	815885658	/nfs/dbraw/zinc/88/56/58/815885658.db2.gz	XXSXSADADDNNHQ-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1cccc(C(=O)[O-])c1C	ZINC001216657634	815886862	/nfs/dbraw/zinc/88/68/62/815886862.db2.gz	GKYWXBIVNDTUFS-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1ccccc1C(=O)[O-]	ZINC001242879589	823162452	/nfs/dbraw/zinc/16/24/52/823162452.db2.gz	WHLBMMGKXNUFRG-UHFFFAOYSA-N	-1	0	253.301	3.484	20	30		CGEDRM
C=CCC(CC=C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893013	816699289	/nfs/dbraw/zinc/69/92/89/816699289.db2.gz	OWPCIVWAKQOEOS-MSUUIHNZSA-N	-1	0	291.347	3.377	20	30		CGEDRM
COc1cc(C#N)ccc1CO[C@@H](C)C1=CC=C[CH]1	ZINC001224191710	816752112	/nfs/dbraw/zinc/75/21/12/816752112.db2.gz	JGKNLBJTCYHWRI-LBPRGKRZSA-N	-1	0	254.309	3.172	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(Cl)cc(=O)[n-]2)O1	ZINC001225562856	817093559	/nfs/dbraw/zinc/09/35/59/817093559.db2.gz	MWGXZGILTHPZCR-XPTSAGLGSA-N	-1	0	298.770	3.117	20	30		CGEDRM
COc1cccc(CC#N)c1O[C@H](C)C1=CC=C[CH]1	ZINC001225842120	817194378	/nfs/dbraw/zinc/19/43/78/817194378.db2.gz	VGEFHPCTTGWHKD-GFCCVEGCSA-N	-1	0	254.309	3.229	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1OC1CCCCCCC1	ZINC001226009007	817247898	/nfs/dbraw/zinc/24/78/98/817247898.db2.gz	PSGLPAMKKDCRFY-UHFFFAOYSA-N	-1	0	264.300	3.290	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)cc(C)c1C#N)C(=C)C	ZINC001226222422	817302216	/nfs/dbraw/zinc/30/22/16/817302216.db2.gz	AUGRPOQRQGMWMW-ZDUSSCGKSA-N	-1	0	258.321	3.257	20	30		CGEDRM
O/N=C/c1ccnc(O[C@@H]2CCc3ccc(Cl)cc32)n1	ZINC001226254960	817312160	/nfs/dbraw/zinc/31/21/60/817312160.db2.gz	GAQBLFJJXXUMNF-QOSBVPTNSA-N	-1	0	289.722	3.004	20	30		CGEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2ccc(Br)cc21	ZINC001226293237	817321008	/nfs/dbraw/zinc/32/10/08/817321008.db2.gz	TWMZFRVKGAASEI-ZETCQYMHSA-N	-1	0	295.136	3.051	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226345375	817332513	/nfs/dbraw/zinc/33/25/13/817332513.db2.gz	BAXGWRMWUPVYBP-LURJTMIESA-N	-1	0	296.314	3.067	20	30		CGEDRM
C=CC[C@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)C(C)C	ZINC001226346866	817332851	/nfs/dbraw/zinc/33/28/51/817332851.db2.gz	MGFXPXPEPNIEMK-QMMMGPOBSA-N	-1	0	276.258	3.181	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274734	817615514	/nfs/dbraw/zinc/61/55/14/817615514.db2.gz	POXPTFUBXNRHJU-SNVBAGLBSA-N	-1	0	261.325	3.177	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cccc(F)c2C#N)c1	ZINC001243182825	823277893	/nfs/dbraw/zinc/27/78/93/823277893.db2.gz	RWUDQGVZLMLLAM-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611784	817681189	/nfs/dbraw/zinc/68/11/89/817681189.db2.gz	SFQPDFXWXDPYSJ-VIFPVBQESA-N	-1	0	279.365	3.306	20	30		CGEDRM
Cc1ccc(-c2nc3c(cc2C#N)CCC3)cc1C(=O)[O-]	ZINC001243196291	823285502	/nfs/dbraw/zinc/28/55/02/823285502.db2.gz	VNTXMXBBDPPNDA-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
Cc1ccc(-c2ccccc2C=NO)cc1C(=O)[O-]	ZINC001243199959	823287467	/nfs/dbraw/zinc/28/74/67/823287467.db2.gz	ZPINOFFMJLNSCS-UHFFFAOYSA-N	-1	0	255.273	3.168	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])cc2C)nc1C	ZINC001243202294	823288603	/nfs/dbraw/zinc/28/86/03/823288603.db2.gz	NXAKGBWZHDFSJR-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cc(-c2ccc3c(C#N)c[nH]c3n2)ccc1C(=O)[O-]	ZINC001243210800	823293742	/nfs/dbraw/zinc/29/37/42/823293742.db2.gz	BDOSPPCWZQJKKJ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243212260	823294199	/nfs/dbraw/zinc/29/41/99/823294199.db2.gz	NLSDOFXGBYMCIP-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1nc(-c2cc(Cl)cc(C(=O)[O-])c2)ccc1CC#N	ZINC001243325014	823348659	/nfs/dbraw/zinc/34/86/59/823348659.db2.gz	XSMSSOVLHMOOGS-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
C=CC[C@@H](C=C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832678	818714976	/nfs/dbraw/zinc/71/49/76/818714976.db2.gz	DQFLPDGVFCURPA-LLVKDONJSA-N	-1	0	258.273	3.008	20	30		CGEDRM
Cc1cc(=O)[n-]c(OC2C[C@@H](C)C[C@H](C)C2)c1C#N	ZINC001233915721	818730179	/nfs/dbraw/zinc/73/01/79/818730179.db2.gz	ZPUPJAFUOMHGEK-UWVGGRQHSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C#C[C@H](CC)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234412003	818849159	/nfs/dbraw/zinc/84/91/59/818849159.db2.gz	OHPGFDUQYZWWPQ-SECBINFHSA-N	-1	0	296.248	3.145	20	30		CGEDRM
C=CC[C@@H](Oc1cc(O)c(O)cc1C(C)=O)C(C)C	ZINC001234475081	818862966	/nfs/dbraw/zinc/86/29/66/818862966.db2.gz	CVOQGZMBZBWSAA-CQSZACIVSA-N	-1	0	264.321	3.280	20	30		CGEDRM
C[C@H](Oc1ccccc1C=N[O-])c1ccncc1F	ZINC001234818989	818925582	/nfs/dbraw/zinc/92/55/82/818925582.db2.gz	GFZCJGCQZHUQAO-JTQLQIEISA-N	-1	0	260.268	3.169	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc(F)cc(F)c3[O-])ccc12	ZINC001243499698	823420664	/nfs/dbraw/zinc/42/06/64/823420664.db2.gz	CNAIASRZHATUED-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1cc(-c2cccc([O-])c2F)nc(C(F)(F)F)c1	ZINC001243540917	823435972	/nfs/dbraw/zinc/43/59/72/823435972.db2.gz	ADUZJXCHKGGNEW-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1nc(-c2cccc([O-])c2F)ccc1C(F)(F)F	ZINC001243543952	823437601	/nfs/dbraw/zinc/43/76/01/823437601.db2.gz	SOUNWAIVKRKHTG-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cc(-c2cc([S-])cc([S-])c2)cc(C2C[NH2+]C2)c1	ZINC001240356420	820988937	/nfs/dbraw/zinc/98/89/37/820988937.db2.gz	RSXQNTGOWNSYAA-UHFFFAOYSA-N	-1	0	298.436	3.489	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])cc1OC	ZINC001240734959	821288313	/nfs/dbraw/zinc/28/83/13/821288313.db2.gz	NVQGIRHUSNRCFG-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(F)ccc1CC#N	ZINC001240735212	821288473	/nfs/dbraw/zinc/28/84/73/821288473.db2.gz	TUQNTSWACHKPHT-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(-c2ccccc2CC#N)ccc1C(=O)[O-]	ZINC001240743462	821294652	/nfs/dbraw/zinc/29/46/52/821294652.db2.gz	MQKROHQGBDEHGJ-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(C)n1	ZINC001240999970	821478441	/nfs/dbraw/zinc/47/84/41/821478441.db2.gz	AZDNWYNXUBPWIB-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)CC/C2=N/O	ZINC001241003394	821482292	/nfs/dbraw/zinc/48/22/92/821482292.db2.gz	PZPORIPEXQHYFU-VLGSPTGOSA-N	-1	0	281.311	3.485	20	30		CGEDRM
N#CCc1ccnc(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001241347425	821751021	/nfs/dbraw/zinc/75/10/21/821751021.db2.gz	YSGUQLQYYVPRJA-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#CCc1cnc(F)c(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001241348950	821752055	/nfs/dbraw/zinc/75/20/55/821752055.db2.gz	JTLGOGSTUUJKFK-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
COc1ccc(-c2ccccc2CS)cc1C(=O)[O-]	ZINC001241879954	822190919	/nfs/dbraw/zinc/19/09/19/822190919.db2.gz	GYHIARSQVGGPHZ-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
Cc1cnc(C#N)c(-c2ccc([O-])c(C(F)(F)F)c2)n1	ZINC001242157537	822898842	/nfs/dbraw/zinc/89/88/42/822898842.db2.gz	HRJVRVLFAAODJN-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1c(F)cncc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242162012	822900125	/nfs/dbraw/zinc/90/01/25/822900125.db2.gz	IYPPLJMZUXZZBN-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1cnc(-c2cc(C(=O)[O-])cc(F)c2C)cc1C#N	ZINC001242209258	822910781	/nfs/dbraw/zinc/91/07/81/822910781.db2.gz	AYQWKMWGMRBQEZ-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccc(F)cc1[O-]	ZINC001242216252	822913461	/nfs/dbraw/zinc/91/34/61/822913461.db2.gz	RGPBXKDBQXBJNJ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1c2ccccc2cnc1-c1cccc(CC(=O)[O-])c1	ZINC001242261613	822929598	/nfs/dbraw/zinc/92/95/98/822929598.db2.gz	JHCREIZZXAWFMW-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#CCc1cc(-c2cccc(CC(=O)[O-])c2)ccc1F	ZINC001242264041	822930236	/nfs/dbraw/zinc/93/02/36/822930236.db2.gz	ULGCQKJSNRCZRC-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1cccc(CC(=O)[O-])c1	ZINC001242264203	822930274	/nfs/dbraw/zinc/93/02/74/822930274.db2.gz	HBBGMFFOJPMASM-UHFFFAOYSA-N	-1	0	265.312	3.355	20	30		CGEDRM
CO/N=C/c1cc(-c2cccc(C(=O)[O-])c2F)ccc1F	ZINC001242381364	822975410	/nfs/dbraw/zinc/97/54/10/822975410.db2.gz	AKJXDQPRXQRGBP-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
Cc1nc(-c2ccc([O-])c(C#N)c2)c(C#N)c(C)c1C	ZINC001242563358	823033084	/nfs/dbraw/zinc/03/30/84/823033084.db2.gz	QLZJRVULOGKFCH-UHFFFAOYSA-N	-1	0	263.300	3.123	20	30		CGEDRM
N#Cc1ccc(-c2ccc([O-])c(C#N)c2)c2cc[nH]c21	ZINC001242565681	823036075	/nfs/dbraw/zinc/03/60/75/823036075.db2.gz	QHNALSCIVJVOSU-UHFFFAOYSA-N	-1	0	259.268	3.284	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3c(o2)CCCC3)n1	ZINC001341725806	936449184	/nfs/dbraw/zinc/44/91/84/936449184.db2.gz	YKKKVNPKSNUEKQ-LLVKDONJSA-N	-1	0	286.356	3.413	20	30		CGEDRM
N#CCOc1ccccc1Nc1ccc(C(=O)[O-])cc1	ZINC001212601473	928121416	/nfs/dbraw/zinc/12/14/16/928121416.db2.gz	AOZRLGZHJGFAPY-UHFFFAOYSA-N	-1	0	268.272	3.031	20	30		CGEDRM
Cc1cc(C)c(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c(C)c1	ZINC001361670214	937229511	/nfs/dbraw/zinc/22/95/11/937229511.db2.gz	IBKJXLRLIHJTHZ-UHFFFAOYSA-N	-1	0	295.342	3.145	20	30		CGEDRM
CCCCCCCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001545838280	937248036	/nfs/dbraw/zinc/24/80/36/937248036.db2.gz	IXXAMFAMZPOQES-UHFFFAOYSA-N	-1	0	289.379	3.058	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228913774	932050034	/nfs/dbraw/zinc/05/00/34/932050034.db2.gz	UENPKIYSNSMHIM-RNCFNFMXSA-N	-1	0	288.734	3.170	20	30		CGEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230666291	932605087	/nfs/dbraw/zinc/60/50/87/932605087.db2.gz	IUYJKANVJYEALC-SECBINFHSA-N	-1	0	270.288	3.425	20	30		CGEDRM
C=C(C)C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=C)C	ZINC001231077760	932673120	/nfs/dbraw/zinc/67/31/20/932673120.db2.gz	ZDPQJQVXOGASEO-MRVPVSSYSA-N	-1	0	299.714	3.034	20	30		CGEDRM
CCc1nnc(-c2cc(F)c([O-])c(F)c2)c(C#N)c1CC	ZINC001244094011	932706945	/nfs/dbraw/zinc/70/69/45/932706945.db2.gz	BFOSUGUGAUEBOO-UHFFFAOYSA-N	-1	0	289.285	3.124	20	30		CGEDRM
C=C(C)CO[N-]C(=O)COc1ccccc1-c1ccccc1	ZINC001469741925	937742863	/nfs/dbraw/zinc/74/28/63/937742863.db2.gz	QIQBOTCTKJYNGB-UHFFFAOYSA-N	-1	0	297.354	3.356	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(C)c2)CCCC1	ZINC001469742009	937742988	/nfs/dbraw/zinc/74/29/88/937742988.db2.gz	UBPGBESXRCYWBN-UHFFFAOYSA-N	-1	0	273.376	3.431	20	30		CGEDRM
CC(C)(C)ON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC001321830186	934216344	/nfs/dbraw/zinc/21/63/44/934216344.db2.gz	YSHRRRFCQGGWFC-GFCCVEGCSA-N	-1	0	261.321	3.168	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1ccc(Cl)cc1	ZINC001326573295	934991168	/nfs/dbraw/zinc/99/11/68/934991168.db2.gz	KONUDBZOYMPKBW-UHFFFAOYSA-N	-1	0	275.682	3.056	20	30		CGEDRM
N#CC(=C([O-])C=C1CCC1)c1nc(C2CC2)cs1	ZINC001518390645	938015264	/nfs/dbraw/zinc/01/52/64/938015264.db2.gz	ZYPPCFIWEINSGD-NSHDSACASA-N	-1	0	258.346	3.307	20	30		CGEDRM
N#Cc1cc([N-]C(=O)c2ocnc2C(F)F)c(F)cc1F	ZINC001544828039	938147328	/nfs/dbraw/zinc/14/73/28/938147328.db2.gz	BFNYHKOYHDJHCH-UHFFFAOYSA-N	-1	0	299.183	3.014	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](OCCC)c1ccc(F)cc1C	ZINC001557329147	938209331	/nfs/dbraw/zinc/20/93/31/938209331.db2.gz	FLIRIWPCYJWNAV-HNNXBMFYSA-N	-1	0	295.354	3.226	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](OCCC)c1ccc(F)cc1C	ZINC001557329148	938209394	/nfs/dbraw/zinc/20/93/94/938209394.db2.gz	FLIRIWPCYJWNAV-OAHLLOKOSA-N	-1	0	295.354	3.226	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001602718288	971373409	/nfs/dbraw/zinc/37/34/09/971373409.db2.gz	IUTNCDSARKCCKD-AWEZNQCLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1	ZINC001602718909	971378277	/nfs/dbraw/zinc/37/82/77/971378277.db2.gz	YQYVRBZJWSDHFZ-WFASDCNBSA-N	-1	0	287.359	3.250	20	30		CGEDRM
CC(C)(C#N)CCCOc1ccccc1CC(=O)[O-]	ZINC000157386108	949363747	/nfs/dbraw/zinc/36/37/47/949363747.db2.gz	LDWYARUENRBVBN-UHFFFAOYSA-N	-1	0	261.321	3.022	20	30		CGEDRM
CCOc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])cc1	ZINC001592343431	951323366	/nfs/dbraw/zinc/32/33/66/951323366.db2.gz	RHRZNBUBQNAHQR-UHFFFAOYSA-N	-1	0	296.326	3.267	20	30		CGEDRM
COc1ccc(/C=C/C(=O)[O-])cc1OCCC(C)(C)C#N	ZINC000087592537	958021999	/nfs/dbraw/zinc/02/19/99/958021999.db2.gz	XFRMOVBRKCKWNA-FNORWQNLSA-N	-1	0	289.331	3.112	20	30		CGEDRM
N#Cc1cc(F)ccc1NCCc1cccc(C(=O)[O-])c1	ZINC000111404197	958432173	/nfs/dbraw/zinc/43/21/73/958432173.db2.gz	PPPSZLXBVNYYFR-UHFFFAOYSA-N	-1	0	284.290	3.050	20	30		CGEDRM
C=CCN(C(=O)CC1(CC(=O)[O-])CCCC1)C(C)(C)C	ZINC000162186804	959207592	/nfs/dbraw/zinc/20/75/92/959207592.db2.gz	XTDHIHMJKIAXGB-UHFFFAOYSA-N	-1	0	281.396	3.225	20	30		CGEDRM
N#CCCCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC001601066270	960541514	/nfs/dbraw/zinc/54/15/14/960541514.db2.gz	JDMWOIPEEJCLLP-UHFFFAOYSA-N	-1	0	288.328	3.232	20	30		CGEDRM
N#CCC[C@H](C#N)CSCc1ccccc1C(=O)[O-]	ZINC001601066668	960543025	/nfs/dbraw/zinc/54/30/25/960543025.db2.gz	PAWTXFGGJOGMQO-LLVKDONJSA-N	-1	0	274.345	3.062	20	30		CGEDRM
C=CC1(CC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])CCCCC1	ZINC001573329635	962250433	/nfs/dbraw/zinc/25/04/33/962250433.db2.gz	JOYQFSSRWWCLIW-DZGCQCFKSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C(C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001573324435	962784847	/nfs/dbraw/zinc/78/48/47/962784847.db2.gz	TWBGQWZEIBXERU-UHFFFAOYSA-N	-1	0	276.336	3.035	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC)CC1CCCCC1	ZINC001573326173	962801476	/nfs/dbraw/zinc/80/14/76/962801476.db2.gz	SGFSRWJSMTZXFO-UHFFFAOYSA-N	-1	0	281.396	3.226	20	30		CGEDRM
C=CCCOCCCCC(=O)Nc1cc(C(=O)[O-])cs1	ZINC001573360462	963038601	/nfs/dbraw/zinc/03/86/01/963038601.db2.gz	PIIKLQSCNJRANW-UHFFFAOYSA-N	-1	0	297.376	3.148	20	30		CGEDRM
C#Cc1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1	ZINC001588439922	963271071	/nfs/dbraw/zinc/27/10/71/963271071.db2.gz	VTJHUCBWWAPZKL-UHFFFAOYSA-N	-1	0	285.343	3.032	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588451041	963272232	/nfs/dbraw/zinc/27/22/32/963272232.db2.gz	KVXPDAWQZSLMPP-CQSZACIVSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCC1(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CCCCC1	ZINC001588457637	963277824	/nfs/dbraw/zinc/27/78/24/963277824.db2.gz	HLTSSPDXABXGGQ-ZIAGYGMSSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C#Cc1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)cc1	ZINC001588516754	963278806	/nfs/dbraw/zinc/27/88/06/963278806.db2.gz	APMOJLVLERMKMK-UHFFFAOYSA-N	-1	0	292.747	3.088	20	30		CGEDRM
C#CCN([C@@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1	ZINC001588464101	963279675	/nfs/dbraw/zinc/27/96/75/963279675.db2.gz	VLBINSJHHXQDRW-NSHDSACASA-N	-1	0	292.404	3.170	20	30		CGEDRM
C=CCC[C@@H](C(=O)N(C)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001588457154	963280251	/nfs/dbraw/zinc/28/02/51/963280251.db2.gz	NELGKRHMLOGHDM-HUUCEWRRSA-N	-1	0	289.375	3.058	20	30		CGEDRM
C=C(C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl	ZINC001588561545	963283372	/nfs/dbraw/zinc/28/33/72/963283372.db2.gz	KFDJOYSUANRWAX-UHFFFAOYSA-N	-1	0	284.699	3.325	20	30		CGEDRM
C=C(C)CNc1nc(-c2ccc(C(=O)[O-])cc2)cs1	ZINC001588570299	963287427	/nfs/dbraw/zinc/28/74/27/963287427.db2.gz	WTOKZHWVGVMSBQ-UHFFFAOYSA-N	-1	0	274.345	3.496	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(C)c(Cl)c(C)c1	ZINC001588629530	963290173	/nfs/dbraw/zinc/29/01/73/963290173.db2.gz	LTTQPURYEVBRJM-UHFFFAOYSA-N	-1	0	281.739	3.316	20	30		CGEDRM
C=C[C@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-]	ZINC001588687116	963295958	/nfs/dbraw/zinc/29/59/58/963295958.db2.gz	LAYDHGGDLMEWKU-LBPRGKRZSA-N	-1	0	295.338	3.356	20	30		CGEDRM
C=C[C@@](C)(CC)COC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588682263	963296005	/nfs/dbraw/zinc/29/60/05/963296005.db2.gz	KHXWPTKPZODOLB-HNNXBMFYSA-N	-1	0	280.295	3.283	20	30		CGEDRM
C=CC(C)(C)CC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC001588673500	963296261	/nfs/dbraw/zinc/29/62/61/963296261.db2.gz	ZYMZKFGXGNJBRY-CQSZACIVSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=CC(C)(C)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588671933	963297899	/nfs/dbraw/zinc/29/78/99/963297899.db2.gz	KUXBRKIKYMLJCJ-SECBINFHSA-N	-1	0	266.293	3.103	20	30		CGEDRM
C=C[C@](C)(CC)COC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588683213	963300209	/nfs/dbraw/zinc/30/02/09/963300209.db2.gz	VUODJFUBSMMNSZ-MRXNPFEDSA-N	-1	0	276.332	3.073	20	30		CGEDRM
C=CC[C@H](C(=O)N[C@H](CCCC)C(=O)[O-])c1ccccc1	ZINC001588720656	963302598	/nfs/dbraw/zinc/30/25/98/963302598.db2.gz	DBNWSMCRHNNIKT-LSDHHAIUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588718864	963302908	/nfs/dbraw/zinc/30/29/08/963302908.db2.gz	IDZLVONDYJVWGL-VIFPVBQESA-N	-1	0	280.349	3.019	20	30		CGEDRM
C=C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)[O-]	ZINC001588714798	963303984	/nfs/dbraw/zinc/30/39/84/963303984.db2.gz	NSBFGTMGLLBHGD-NSHDSACASA-N	-1	0	294.763	3.257	20	30		CGEDRM
C=C[C@H](S[C@@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588714298	963305464	/nfs/dbraw/zinc/30/54/64/963305464.db2.gz	FHGSXMFYUAHOGX-CABZTGNLSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-]	ZINC001588701946	963305850	/nfs/dbraw/zinc/30/58/50/963305850.db2.gz	DNYOZWVFUHWPPR-HNNXBMFYSA-N	-1	0	294.310	3.402	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl	ZINC001588737595	963307881	/nfs/dbraw/zinc/30/78/81/963307881.db2.gz	MYGJVGJPJJVUNX-UHFFFAOYSA-N	-1	0	294.738	3.140	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCC1	ZINC001588765275	963310666	/nfs/dbraw/zinc/31/06/66/963310666.db2.gz	VWFODUXENDTTCO-UHFFFAOYSA-N	-1	0	295.285	3.348	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC001588736071	963311727	/nfs/dbraw/zinc/31/17/27/963311727.db2.gz	DBNGFTNWYLLXSQ-UHFFFAOYSA-N	-1	0	296.392	3.479	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC001588789354	963318093	/nfs/dbraw/zinc/31/80/93/963318093.db2.gz	BKVLHGYUEUJKNE-RDBSUJKOSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001588783028	963318375	/nfs/dbraw/zinc/31/83/75/963318375.db2.gz	UOAJRDNPVRNIRR-ZDUSSCGKSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C=CCCCCCOC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588799706	963319473	/nfs/dbraw/zinc/31/94/73/963319473.db2.gz	BGCBIRBAKNORPG-QWHCGFSZSA-N	-1	0	268.353	3.167	20	30		CGEDRM
C=CCCOCCCCC(=O)Nc1sccc1C(=O)[O-]	ZINC001588810422	963320061	/nfs/dbraw/zinc/32/00/61/963320061.db2.gz	PQIOQLAUGSNZQY-UHFFFAOYSA-N	-1	0	297.376	3.148	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1csc(C)n1	ZINC001589017214	963342343	/nfs/dbraw/zinc/34/23/43/963342343.db2.gz	CDEAGYGLRKAZBK-UHFFFAOYSA-N	-1	0	289.360	3.294	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(c2cc(F)ccc2C#N)C1	ZINC001589616728	964004554	/nfs/dbraw/zinc/00/45/54/964004554.db2.gz	DMLISZPWBHHNIS-LBPRGKRZSA-N	-1	0	290.338	3.025	20	30		CGEDRM
C#Cc1ccc(NC2CCC(C(=O)[O-])CC2)c(Cl)c1	ZINC001588439461	964029546	/nfs/dbraw/zinc/02/95/46/964029546.db2.gz	WJQUSSCCANIZEK-UHFFFAOYSA-N	-1	0	277.751	3.377	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC000393756354	972636924	/nfs/dbraw/zinc/63/69/24/972636924.db2.gz	HSTHBFNBNNRBFA-MRVPVSSYSA-N	-1	0	298.289	3.139	20	30		CGEDRM
N#CCc1ccc(COc2ccc(C(=O)[O-])cc2)cc1	ZINC000399122386	973192515	/nfs/dbraw/zinc/19/25/15/973192515.db2.gz	IJKYZIPPTOKGOD-UHFFFAOYSA-N	-1	0	267.284	3.030	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cs1	ZINC001592008170	976674695	/nfs/dbraw/zinc/67/46/95/976674695.db2.gz	FGDGOTTZEXXREX-ONEGZZNKSA-N	-1	0	290.344	3.189	20	30		CGEDRM
C[C@@H](CC#N)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001592211224	977260928	/nfs/dbraw/zinc/26/09/28/977260928.db2.gz	KKLSQARKEILTSA-JTQLQIEISA-N	-1	0	282.299	3.026	20	30		CGEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001592439162	978087565	/nfs/dbraw/zinc/08/75/65/978087565.db2.gz	BFHJAECEKNLTLL-UHFFFAOYSA-N	-1	0	277.299	3.252	20	30		CGEDRM
CC[C@@H](CON=Cc1ccc(C(=O)[O-])cc1)CC(F)F	ZINC001595197914	979920921	/nfs/dbraw/zinc/92/09/21/979920921.db2.gz	HEGUPEBHOXQICD-SNVBAGLBSA-N	-1	0	285.290	3.417	20	30		CGEDRM
CC[C@H](CON=Cc1ccc(C(=O)[O-])cc1)CC(F)F	ZINC001595197913	979920976	/nfs/dbraw/zinc/92/09/76/979920976.db2.gz	HEGUPEBHOXQICD-JTQLQIEISA-N	-1	0	285.290	3.417	20	30		CGEDRM
CCC[C@H](CC)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595586190	981529979	/nfs/dbraw/zinc/52/99/79/981529979.db2.gz	RIDCISYKJMIWJD-JSGCOSHPSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001594778149	981772599	/nfs/dbraw/zinc/77/25/99/981772599.db2.gz	JAUFBYBNOMGDQG-QGZVFWFLSA-N	-1	0	296.326	3.416	20	30		CGEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])c(Cl)c1)OC	ZINC001594883474	982253565	/nfs/dbraw/zinc/25/35/65/982253565.db2.gz	RBMHJWGJWZUVCU-NOZJJQNGSA-N	-1	0	298.770	3.497	20	30		CGEDRM
CCCn1c2ccc(C#N)cc2nc1-c1c[nH]c(C(=O)[O-])c1	ZINC001596106109	983430961	/nfs/dbraw/zinc/43/09/61/983430961.db2.gz	SOYNQONIAIQPAO-UHFFFAOYSA-N	-1	0	294.314	3.011	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1	ZINC001596194258	983576889	/nfs/dbraw/zinc/57/68/89/983576889.db2.gz	GLVFNTSCJCCJJU-CMDGGOBGSA-N	-1	0	299.326	3.330	20	30		CGEDRM
C[C@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC001593743158	996366189	/nfs/dbraw/zinc/36/61/89/996366189.db2.gz	PPFAWAVWJWAXNP-OAHLLOKOSA-N	-1	0	292.766	3.164	20	30		CGEDRM
COc1cc(C)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001599394897	997107690	/nfs/dbraw/zinc/10/76/90/997107690.db2.gz	ZFUGOCLHBCCZEN-DAXSKMNVSA-N	-1	0	286.283	3.191	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1ccc2ccccc2n1	ZINC000039208921	344958840	/nfs/dbraw/zinc/95/88/40/344958840.db2.gz	RVOGNZKWTDSHSN-GFCCVEGCSA-N	-1	0	262.268	3.318	20	30		CGEDRM
CCc1ccsc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000066506531	345297900	/nfs/dbraw/zinc/29/79/00/345297900.db2.gz	JTUSJDPEOQVBQD-LBPRGKRZSA-N	-1	0	285.372	3.207	20	30		CGEDRM
CC(C)C[C@H](CNc1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000088274342	345758188	/nfs/dbraw/zinc/75/81/88/345758188.db2.gz	AYCYTUDHCMWDKB-NSHDSACASA-N	-1	0	278.327	3.246	20	30		CGEDRM
N#CCCCCCC(=O)Nc1cccc(Cl)c1[O-]	ZINC000588362259	346761755	/nfs/dbraw/zinc/76/17/55/346761755.db2.gz	HUEBORWEIRQUAT-UHFFFAOYSA-N	-1	0	266.728	3.458	20	30		CGEDRM
CCCCc1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000594733773	347215009	/nfs/dbraw/zinc/21/50/09/347215009.db2.gz	FJKNUGNZVPCAQB-UHFFFAOYSA-N	-1	0	296.374	3.001	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000595977668	347373503	/nfs/dbraw/zinc/37/35/03/347373503.db2.gz	NUTRZPPWUYOXOW-GFCCVEGCSA-N	-1	0	278.739	3.124	20	30		CGEDRM
CC(C)(C)[C@@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)CCO1	ZINC000596178559	347394604	/nfs/dbraw/zinc/39/46/04/347394604.db2.gz	KWBZONYLJGCDPU-SCZZXKLOSA-N	-1	0	299.827	3.096	20	30		CGEDRM
C[C@@H]1CCC[C@H](n2[n-]c(-c3cccc(C#N)c3)cc2=O)C1	ZINC000601939353	347926610	/nfs/dbraw/zinc/92/66/10/347926610.db2.gz	NZTNKHKNDFEHOW-DOMZBBRYSA-N	-1	0	281.359	3.073	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1C(F)(F)F	ZINC000601939579	347926906	/nfs/dbraw/zinc/92/69/06/347926906.db2.gz	MQNSQOGTBLYFEK-SNVBAGLBSA-N	-1	0	293.248	3.080	20	30		CGEDRM
Cc1[n-]n(-c2cccc(F)c2Cl)c(=O)c1CCC#N	ZINC000601947402	347927857	/nfs/dbraw/zinc/92/78/57/347927857.db2.gz	RNZPVIPNYCQHCW-VIFPVBQESA-N	-1	0	279.702	3.122	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)c(C(F)(F)F)c1	ZINC000601948856	347928527	/nfs/dbraw/zinc/92/85/27/347928527.db2.gz	MINWQFSCANUIIW-VIFPVBQESA-N	-1	0	293.248	3.080	20	30		CGEDRM
CC[C@H](C)c1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[n-]1	ZINC000601950626	347928593	/nfs/dbraw/zinc/92/85/93/347928593.db2.gz	XAYNNWFKTSTFKH-VIFPVBQESA-N	-1	0	275.739	3.350	20	30		CGEDRM
Cc1[n-]n([C@@H](Cc2ccccc2)C(C)C)c(=O)c1CCC#N	ZINC000601959990	347929385	/nfs/dbraw/zinc/92/93/85/347929385.db2.gz	QLKOINYXRSXRTH-SJORKVTESA-N	-1	0	297.402	3.392	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000601744453	347910872	/nfs/dbraw/zinc/91/08/72/347910872.db2.gz	KOIKVUOZPLCGAP-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000630312989	350823269	/nfs/dbraw/zinc/82/32/69/350823269.db2.gz	CVIOVSLWZCBRJW-UHFFFAOYSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-]	ZINC000630319496	350823350	/nfs/dbraw/zinc/82/33/50/350823350.db2.gz	BSBZRGPEFIEDTH-BARDWOONSA-N	-1	0	293.407	3.129	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3c(s2)CCC3)n1	ZINC000122743970	370907828	/nfs/dbraw/zinc/90/78/28/370907828.db2.gz	AHTDCAFODXUHLQ-SNVBAGLBSA-N	-1	0	288.397	3.492	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cc(Cl)ccc2[O-])ccc1F	ZINC000051637553	369450155	/nfs/dbraw/zinc/45/01/55/369450155.db2.gz	JDPIFJYFVQCYAW-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1ccc(NCCCCCC(=O)[O-])cc1Cl	ZINC000061845198	369608809	/nfs/dbraw/zinc/60/88/09/369608809.db2.gz	SEKOIXWOGLDCPM-UHFFFAOYSA-N	-1	0	266.728	3.269	20	30		CGEDRM
CS[C@@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000117107599	370577813	/nfs/dbraw/zinc/57/78/13/370577813.db2.gz	XKXPXHJBQQJMAV-VBTYFWCOSA-N	-1	0	294.376	3.394	20	30		CGEDRM
CCC(CC)(CNc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000137660005	371499344	/nfs/dbraw/zinc/49/93/44/371499344.db2.gz	LPBTXTIFGFTXCH-UHFFFAOYSA-N	-1	0	264.300	3.000	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2)c(Cl)c1	ZINC000169254908	372628082	/nfs/dbraw/zinc/62/80/82/372628082.db2.gz	UVNVVMNEMQYPOM-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCCC1(C(=O)Nc2cc(C(C)=O)ccc2[O-])CC1	ZINC000436984185	372842909	/nfs/dbraw/zinc/84/29/09/372842909.db2.gz	LXMLUQKHTRRVJD-UHFFFAOYSA-N	-1	0	273.332	3.280	20	30		CGEDRM
C=CCCS(=O)(=O)Nc1ccc(-c2ccco2)cc1F	ZINC000447273445	373415323	/nfs/dbraw/zinc/41/53/23/373415323.db2.gz	HIOHFHYBBINFNG-UHFFFAOYSA-N	-1	0	295.335	3.404	20	30		CGEDRM
N#Cc1csc(C(=O)Nc2ccc(Cl)cc2O)c1	ZINC000179191218	373845084	/nfs/dbraw/zinc/84/50/84/373845084.db2.gz	XZWHEMXAKFHIPZ-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
N#Cc1c[nH]c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000335169130	375195956	/nfs/dbraw/zinc/19/59/56/375195956.db2.gz	RDKCWALUCZQWHU-UHFFFAOYSA-N	-1	0	296.113	3.151	20	30		CGEDRM
Cc1cc(Cl)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000189943436	375461254	/nfs/dbraw/zinc/46/12/54/375461254.db2.gz	WRNUYPZCHRUYSF-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
Cc1cc(C)cc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000189778988	375445780	/nfs/dbraw/zinc/44/57/80/375445780.db2.gz	BUPIPPNDPUWTDS-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000192918270	375802887	/nfs/dbraw/zinc/80/28/87/375802887.db2.gz	UQNSYLJTWLZLFG-OLZOCXBDSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CCOc1cccc(CN=c2[n-]nc(C3CC3)s2)c1	ZINC000561977176	377258812	/nfs/dbraw/zinc/25/88/12/377258812.db2.gz	GJYUAFQONLZZON-UHFFFAOYSA-N	-1	0	287.388	3.014	20	30		CGEDRM
CO[C@@H](C)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188422836	249057880	/nfs/dbraw/zinc/05/78/80/249057880.db2.gz	PPBBAIICRUOURF-NSHDSACASA-N	-1	0	296.326	3.224	20	30		CGEDRM
C=CCCC[N@@H+](C)[C@@H](C)c1cc(C(=O)[O-])c(C)o1	ZINC000573926938	377595017	/nfs/dbraw/zinc/59/50/17/377595017.db2.gz	FPWMRCQEURQLPR-JTQLQIEISA-N	-1	0	251.326	3.245	20	30		CGEDRM
C=CCCCN(C)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000278015994	379280695	/nfs/dbraw/zinc/28/06/95/379280695.db2.gz	PRBOSHCHEFVXKN-UHFFFAOYSA-N	-1	0	271.719	3.223	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000398098129	379927161	/nfs/dbraw/zinc/92/71/61/379927161.db2.gz	RCFUZEFQNZIIPZ-CYBMUJFWSA-N	-1	0	296.411	3.160	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000353020701	380076885	/nfs/dbraw/zinc/07/68/85/380076885.db2.gz	CPHMZTSBOWIFRV-VIFPVBQESA-N	-1	0	297.339	3.337	20	30		CGEDRM
CCc1ccc2occ(C([O-])=C(C#N)c3ccncn3)c2c1	ZINC000354053431	380302223	/nfs/dbraw/zinc/30/22/23/380302223.db2.gz	MTKCIGMXOVZBRI-CYBMUJFWSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1	ZINC000361527953	381786287	/nfs/dbraw/zinc/78/62/87/381786287.db2.gz	TXHZXSUAOSZMSL-CQSZACIVSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286954558	392391088	/nfs/dbraw/zinc/39/10/88/392391088.db2.gz	QCEIHOIKLZRPMC-UHFFFAOYSA-N	-1	0	269.703	3.173	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378298	392712245	/nfs/dbraw/zinc/71/22/45/392712245.db2.gz	MFUUOEIBRQVBOQ-LLVKDONJSA-N	-1	0	283.356	3.214	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1	ZINC000338317887	392909383	/nfs/dbraw/zinc/90/93/83/392909383.db2.gz	XOONQRIFRIVCFH-AWEZNQCLSA-N	-1	0	297.383	3.305	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000263259181	393150282	/nfs/dbraw/zinc/15/02/82/393150282.db2.gz	JHMFBEKVFXIKEW-MFKMUULPSA-N	-1	0	295.766	3.184	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000041548176	397611972	/nfs/dbraw/zinc/61/19/72/397611972.db2.gz	ILSPTINCSJXGCG-SNVBAGLBSA-N	-1	0	266.256	3.219	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccc(O)c2)c([O-])c1	ZINC000033376565	171787333	/nfs/dbraw/zinc/78/73/33/171787333.db2.gz	REZLOMBHXVOHSX-YVMONPNESA-N	-1	0	270.284	3.003	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)c(C)s2)n1	ZINC000683688979	543931672	/nfs/dbraw/zinc/93/16/72/543931672.db2.gz	JWZRTCTUXARGCB-VIFPVBQESA-N	-1	0	277.374	3.015	20	30		CGEDRM
C[C@@H]1OCC[C@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329087770	227290712	/nfs/dbraw/zinc/29/07/12/227290712.db2.gz	HOFCJKGOHCNVFZ-NKWVEPMBSA-N	-1	0	268.363	3.371	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	ZINC000659169984	418962908	/nfs/dbraw/zinc/96/29/08/418962908.db2.gz	ODBXXYSOXJQXLA-SHARSMKWSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1	ZINC000076766006	260166822	/nfs/dbraw/zinc/16/68/22/260166822.db2.gz	VCYUHUHGAPYZGO-GXTWGEPZSA-N	-1	0	295.404	3.299	20	30		CGEDRM
Cc1ncccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178318112	261385484	/nfs/dbraw/zinc/38/54/84/261385484.db2.gz	QIVBFJYTOIPJSX-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CC(=O)c1ccc([O-])c(NC(=O)C2(C#N)CCCCC2)c1	ZINC000272078428	263001941	/nfs/dbraw/zinc/00/19/41/263001941.db2.gz	IZSAESYOEGPNHY-UHFFFAOYSA-N	-1	0	286.331	3.007	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCC(F)(F)C2)c1	ZINC000280466880	263061903	/nfs/dbraw/zinc/06/19/03/263061903.db2.gz	XZCYHBMYBFHCDL-VKPPLCHCSA-N	-1	0	284.262	3.155	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C(C)C)n1	ZINC000041516898	263286687	/nfs/dbraw/zinc/28/66/87/263286687.db2.gz	UFQMNXXTFKBRDQ-JTQLQIEISA-N	-1	0	289.360	3.361	20	30		CGEDRM
Cc1nc(CC(C)C)sc1C(=O)NCC(C)(C)C(=O)[O-]	ZINC000330756439	264030488	/nfs/dbraw/zinc/03/04/88/264030488.db2.gz	DSTFDMYPGKCWHA-UHFFFAOYSA-N	-1	0	298.408	3.065	20	30		CGEDRM
CSc1cccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188480717	270069508	/nfs/dbraw/zinc/06/95/08/270069508.db2.gz	QQHYERNQICQNPV-UHFFFAOYSA-N	-1	0	298.367	3.262	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1nc(-c2ccncc2)cs1	ZINC000114619073	266456459	/nfs/dbraw/zinc/45/64/59/266456459.db2.gz	DKOPGLKEEKDSOG-LLVKDONJSA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cc1ccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])c(C#N)c1	ZINC000520839726	268023200	/nfs/dbraw/zinc/02/32/00/268023200.db2.gz	QFPYSUDHLDGJII-UHFFFAOYSA-N	-1	0	283.331	3.183	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cccc(O)c2)ccc1Cl	ZINC000554484575	289284927	/nfs/dbraw/zinc/28/49/27/289284927.db2.gz	SNSBQCORLCNJDN-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000285971488	328248521	/nfs/dbraw/zinc/24/85/21/328248521.db2.gz	DWHYIPQJXDVZQT-LBPRGKRZSA-N	-1	0	270.691	3.063	20	30		CGEDRM
C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F	ZINC000287330516	328250988	/nfs/dbraw/zinc/25/09/88/328250988.db2.gz	VZFIVHYYJSATKN-GIBCEEMWSA-N	-1	0	296.632	3.324	20	30		CGEDRM
N#Cc1ccc(CN=c2nc(C3CCCCC3)[n-]s2)cc1	ZINC000565474248	322079246	/nfs/dbraw/zinc/07/92/46/322079246.db2.gz	GQMCKKZDYHYVJR-UHFFFAOYSA-N	-1	0	298.415	3.491	20	30		CGEDRM
N#CCCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000552355543	326878040	/nfs/dbraw/zinc/87/80/40/326878040.db2.gz	SWHQZTGZLXKMHA-UHFFFAOYSA-N	-1	0	267.284	3.344	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC000263042390	330040329	/nfs/dbraw/zinc/04/03/29/330040329.db2.gz	ZUKWLKZVCCUBEA-ZDUSSCGKSA-N	-1	0	295.766	3.106	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1cccc(C(=O)[O-])c1	ZINC000263489460	330057733	/nfs/dbraw/zinc/05/77/33/330057733.db2.gz	QPKWAQAHTSZOCX-UHFFFAOYSA-N	-1	0	274.364	3.147	20	30		CGEDRM
N#CC(=C([O-])c1scnc1C1CCCC1)c1ccncn1	ZINC000546860289	334051993	/nfs/dbraw/zinc/05/19/93/334051993.db2.gz	OEVJCZSFALHFBX-NSHDSACASA-N	-1	0	298.371	3.081	20	30		CGEDRM
C=CCCCNc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000381674343	336070690	/nfs/dbraw/zinc/07/06/90/336070690.db2.gz	REUZQPCWPOIHJE-UHFFFAOYSA-N	-1	0	277.349	3.076	20	30		CGEDRM
CC(=NNc1cccc(F)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749609525	571705427	/nfs/dbraw/zinc/70/54/27/571705427.db2.gz	YTRBGFXUBRPRPI-UHFFFAOYSA-N	-1	0	289.266	3.276	20	30		CGEDRM
COc1c(O)cccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728439197	571806150	/nfs/dbraw/zinc/80/61/50/571806150.db2.gz	XDZDDHKAYPDQIJ-ALCCZGGFSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CC(=NNc1ccnc2ccccc21)c1cc(F)ccc1O	ZINC000730147674	571950980	/nfs/dbraw/zinc/95/09/80/571950980.db2.gz	IBHCDGAGYPDZGR-UHFFFAOYSA-N	-1	0	295.317	3.338	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cccs2)cs1	ZINC000730148807	571951767	/nfs/dbraw/zinc/95/17/67/571951767.db2.gz	MHJFBAJTTLYHGL-ARJAWSKDSA-N	-1	0	264.327	3.404	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000738500855	572377554	/nfs/dbraw/zinc/37/75/54/572377554.db2.gz	GWWBQSLCMCHOCV-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
Cc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000738627014	572383174	/nfs/dbraw/zinc/38/31/74/572383174.db2.gz	AWIAASFJJPUVFW-OAHLLOKOSA-N	-1	0	266.300	3.105	20	30		CGEDRM
Cc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cc1)CC2	ZINC000730945830	572386858	/nfs/dbraw/zinc/38/68/58/572386858.db2.gz	SAJSQESYUMFLTH-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(NCc2ccccc2C#N)cc1	ZINC000739018208	572398633	/nfs/dbraw/zinc/39/86/33/572398633.db2.gz	XTKZGLLLQFRRBG-LBPRGKRZSA-N	-1	0	295.342	3.499	20	30		CGEDRM
N#Cc1ccc(SCc2ccoc2C(=O)[O-])c(F)c1	ZINC000739132816	572402532	/nfs/dbraw/zinc/40/25/32/572402532.db2.gz	UCVLKZKJCGAYSF-UHFFFAOYSA-N	-1	0	277.276	3.281	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000740310857	572439615	/nfs/dbraw/zinc/43/96/15/572439615.db2.gz	KNXHHOHDVLRSKD-UHFFFAOYSA-N	-1	0	297.289	3.481	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000740310881	572439811	/nfs/dbraw/zinc/43/98/11/572439811.db2.gz	KWMLOLUVFHGVND-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
N#Cc1ccc(NCC[C@H]2CCN(C(=O)[O-])C2)cc1Cl	ZINC000740319402	572439842	/nfs/dbraw/zinc/43/98/42/572439842.db2.gz	RXHAUHZYVIAQAI-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ccccc1Cl	ZINC000740619376	572448682	/nfs/dbraw/zinc/44/86/82/572448682.db2.gz	DLKCERAWOMUNRN-VIFPVBQESA-N	-1	0	281.743	3.176	20	30		CGEDRM
Cc1cccc2c1C/C(=C\c1ccc(C(=O)[O-])o1)C2=O	ZINC000738747052	572473981	/nfs/dbraw/zinc/47/39/81/572473981.db2.gz	FGNRDVYBKRBZRS-JXMROGBWSA-N	-1	0	268.268	3.109	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@@H]2Cc2ccccc2)c1	ZINC000741463430	572499659	/nfs/dbraw/zinc/49/96/59/572499659.db2.gz	FNBIEWIINYTKGV-CFGDFPMOSA-N	-1	0	296.326	3.351	20	30		CGEDRM
C=CC[C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000736097210	572767949	/nfs/dbraw/zinc/76/79/49/572767949.db2.gz	XYVFHYMLCCOBQG-SSDOTTSWSA-N	-1	0	291.376	3.383	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000748134012	572962216	/nfs/dbraw/zinc/96/22/16/572962216.db2.gz	SXUYYWOHPLHTOH-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000748441001	572977340	/nfs/dbraw/zinc/97/73/40/572977340.db2.gz	ULPHKISOPNHJJI-UPHRSURJSA-N	-1	0	289.337	3.276	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc(Cl)nc2)cs1	ZINC000749005007	572988019	/nfs/dbraw/zinc/98/80/19/572988019.db2.gz	HMANXFLXOUVRCF-IWQZZHSRSA-N	-1	0	293.731	3.391	20	30		CGEDRM
CC(=NN[C@@H](C)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749608001	573022961	/nfs/dbraw/zinc/02/29/61/573022961.db2.gz	FZYWDHFIDJOWMQ-NSHDSACASA-N	-1	0	299.330	3.375	20	30		CGEDRM
N#Cc1cccnc1Nc1cccc(CSCC(=O)[O-])c1	ZINC000833076447	601225713	/nfs/dbraw/zinc/22/57/13/601225713.db2.gz	GIRQJVBJBMCBIV-UHFFFAOYSA-N	-1	0	299.355	3.015	20	30		CGEDRM
CCc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000830253607	601297612	/nfs/dbraw/zinc/29/76/12/601297612.db2.gz	IDEXDKLJAAQXAM-MRXNPFEDSA-N	-1	0	280.327	3.358	20	30		CGEDRM
CCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000830253606	601297683	/nfs/dbraw/zinc/29/76/83/601297683.db2.gz	IDEXDKLJAAQXAM-INIZCTEOSA-N	-1	0	280.327	3.358	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)s1	ZINC000830229285	601330772	/nfs/dbraw/zinc/33/07/72/601330772.db2.gz	PNGDNZPAOVAXPT-DAXSKMNVSA-N	-1	0	275.329	3.233	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CNc1cc(C#N)ccc1C	ZINC000830376347	601390921	/nfs/dbraw/zinc/39/09/21/601390921.db2.gz	WNBOMDCGOKFUSM-UHFFFAOYSA-N	-1	0	284.315	3.332	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])o1	ZINC000830228896	601510320	/nfs/dbraw/zinc/51/03/20/601510320.db2.gz	HHCGXLSYZXNFMR-HYXAFXHYSA-N	-1	0	260.245	3.029	20	30		CGEDRM
C[C@@H](CSCC#Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000827574830	601577121	/nfs/dbraw/zinc/57/71/21/601577121.db2.gz	HIRJQSBYMIKHKM-JTQLQIEISA-N	-1	0	268.765	3.145	20	30		CGEDRM
CCOc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830060088	601791186	/nfs/dbraw/zinc/79/11/86/601791186.db2.gz	ZHEYEHKVNIUUFU-BAQGIRSFSA-N	-1	0	285.299	3.008	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(Cl)s2)c[nH]1	ZINC000833297165	601791466	/nfs/dbraw/zinc/79/14/66/601791466.db2.gz	BXQVAUHAMZBVPT-OWOJBTEDSA-N	-1	0	281.720	3.324	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c[nH]1	ZINC000833297275	601793341	/nfs/dbraw/zinc/79/33/41/601793341.db2.gz	DSNKDUMBBAFOKX-RJRFIUFISA-N	-1	0	298.273	3.229	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccsc2C(=O)[O-])c1	ZINC000825636570	601822375	/nfs/dbraw/zinc/82/23/75/601822375.db2.gz	NFVVGCIOBATTBW-UHFFFAOYSA-N	-1	0	271.341	3.064	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@H](C(=O)[O-])c1ccccc1F	ZINC000825665239	602283641	/nfs/dbraw/zinc/28/36/41/602283641.db2.gz	XBFZHDURVQZQRV-AWEZNQCLSA-N	-1	0	292.306	3.263	20	30		CGEDRM
N#Cc1ccc(CNc2cccc3c2CCN3C(=O)[O-])cc1	ZINC000831126688	604012453	/nfs/dbraw/zinc/01/24/53/604012453.db2.gz	PADMJIUHTCJFBI-UHFFFAOYSA-N	-1	0	293.326	3.211	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1ccc(NC(=O)[O-])cc1	ZINC000823490833	604067095	/nfs/dbraw/zinc/06/70/95/604067095.db2.gz	MDCUDDAFNIKSHS-UHFFFAOYSA-N	-1	0	275.304	3.450	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cc(Cl)ccc2C)c1=O	ZINC000899362029	620669467	/nfs/dbraw/zinc/66/94/67/620669467.db2.gz	HYDYCKUSNSAMRS-GFCCVEGCSA-N	-1	0	260.724	3.010	20	30		CGEDRM
Cc1ccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])nc1	ZINC000814831934	604638804	/nfs/dbraw/zinc/63/88/04/604638804.db2.gz	XYCRHCBXYATMAL-GFCCVEGCSA-N	-1	0	277.368	3.459	20	30		CGEDRM
C=CCCCC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1	ZINC000833373683	604974747	/nfs/dbraw/zinc/97/47/47/604974747.db2.gz	XYIPWLKOLACCMY-HNNXBMFYSA-N	-1	0	289.375	3.407	20	30		CGEDRM
C=C(CC)CSCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833371095	605009361	/nfs/dbraw/zinc/00/93/61/605009361.db2.gz	WEGYEOCSQNAPIJ-UHFFFAOYSA-N	-1	0	279.361	3.023	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833374003	605076557	/nfs/dbraw/zinc/07/65/57/605076557.db2.gz	NCGGJLWFLKPNNA-SECBINFHSA-N	-1	0	282.365	3.313	20	30		CGEDRM
C=CCC[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccccc1	ZINC000833373242	605191850	/nfs/dbraw/zinc/19/18/50/605191850.db2.gz	IRWWAFPRCJALTH-CYBMUJFWSA-N	-1	0	283.331	3.294	20	30		CGEDRM
CC(C)(C#N)CCCOc1cccc(NC(=O)[O-])c1	ZINC000823738277	605353450	/nfs/dbraw/zinc/35/34/50/605353450.db2.gz	ULQNYROAFKDKMV-UHFFFAOYSA-N	-1	0	262.309	3.485	20	30		CGEDRM
C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000037306324	605523453	/nfs/dbraw/zinc/52/34/53/605523453.db2.gz	QGCDWELBUXWYRM-ZCFIWIBFSA-N	-1	0	275.251	3.142	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833361532	605598416	/nfs/dbraw/zinc/59/84/16/605598416.db2.gz	AFNYXDDXQOLBMD-UHFFFAOYSA-N	-1	0	273.332	3.215	20	30		CGEDRM
C#CCCCCCC(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000833362052	605623886	/nfs/dbraw/zinc/62/38/86/605623886.db2.gz	XAABRMWAQMZNDG-UHFFFAOYSA-N	-1	0	293.407	3.110	20	30		CGEDRM
N#Cc1c(Cl)cccc1SC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833970468	605991998	/nfs/dbraw/zinc/99/19/98/605991998.db2.gz	UWRJSLRMQZJJNN-SECBINFHSA-N	-1	0	296.779	3.304	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000899540145	620708412	/nfs/dbraw/zinc/70/84/12/620708412.db2.gz	HWPGJPUZCRCCMJ-LBPRGKRZSA-N	-1	0	275.348	3.245	20	30		CGEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)[C@@H]1C[C@H]1c1ccco1	ZINC000049513937	617613305	/nfs/dbraw/zinc/61/33/05/617613305.db2.gz	YYLIGSGQFQEIRQ-VXGBXAGGSA-N	-1	0	297.376	3.002	20	30		CGEDRM
O=C(CCc1ccco1)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514215	617613400	/nfs/dbraw/zinc/61/34/00/617613400.db2.gz	CKUNOGFGHUNREA-UHFFFAOYSA-N	-1	0	299.392	3.079	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514163	617613742	/nfs/dbraw/zinc/61/37/42/617613742.db2.gz	NXGVILRBZOOWBG-UHFFFAOYSA-N	-1	0	275.414	3.289	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(C)cc1C	ZINC000042343872	617646268	/nfs/dbraw/zinc/64/62/68/617646268.db2.gz	XDTPRERAXLRBEH-UHFFFAOYSA-N	-1	0	297.420	3.322	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1	ZINC000255121471	617946730	/nfs/dbraw/zinc/94/67/30/617946730.db2.gz	QIPDBPAUNGMRPR-CLFYSBASSA-N	-1	0	275.304	3.463	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2C)s1	ZINC000042317697	620765163	/nfs/dbraw/zinc/76/51/63/620765163.db2.gz	DZAWTFFSQRXBOX-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CC(C)(C)[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000807981481	618012474	/nfs/dbraw/zinc/01/24/74/618012474.db2.gz	IEONJHKUEJMGDM-SNVBAGLBSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N2CCCC[C@H]2C(=O)[O-])c1	ZINC000900354807	620781815	/nfs/dbraw/zinc/78/18/15/620781815.db2.gz	AQFDONZLNHOTFD-AWEZNQCLSA-N	-1	0	288.347	3.191	20	30		CGEDRM
CCCCC1(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000935108888	618727380	/nfs/dbraw/zinc/72/73/80/618727380.db2.gz	QUVNJWOVUOKHMY-UHFFFAOYSA-N	-1	0	258.321	3.173	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CC2CCCCC2)c1	ZINC000176822709	618742006	/nfs/dbraw/zinc/74/20/06/618742006.db2.gz	FKNDXVZFLNAIJE-UHFFFAOYSA-N	-1	0	258.321	3.173	20	30		CGEDRM
CSc1ccsc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179728843	618800485	/nfs/dbraw/zinc/80/04/85/618800485.db2.gz	XGQSDLIRGZKHJI-UHFFFAOYSA-N	-1	0	290.369	3.300	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000072595067	625312293	/nfs/dbraw/zinc/31/22/93/625312293.db2.gz	GOLMOOIUZYNZTE-NSHDSACASA-N	-1	0	269.366	3.076	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000072595091	625312570	/nfs/dbraw/zinc/31/25/70/625312570.db2.gz	UXKNVEIPKAEEPW-LBPRGKRZSA-N	-1	0	283.393	3.385	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2)c1	ZINC000198901485	619162588	/nfs/dbraw/zinc/16/25/88/619162588.db2.gz	LEADYQOKYVCHRJ-KTKRTIGZSA-N	-1	0	252.269	3.281	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000313949532	619203264	/nfs/dbraw/zinc/20/32/64/619203264.db2.gz	JTDAEINYMMDKBC-KGLIPLIRSA-N	-1	0	298.427	3.099	20	30		CGEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccsc1	ZINC000178724485	619379803	/nfs/dbraw/zinc/37/98/03/619379803.db2.gz	YRAOXKSXIAZJDF-DAFODLJHSA-N	-1	0	275.285	3.258	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@H]1CC=CCC1	ZINC000048518902	619503268	/nfs/dbraw/zinc/50/32/68/619503268.db2.gz	JDLCEYFEVFURPF-JTQLQIEISA-N	-1	0	299.779	3.342	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc(F)n2)c(Cl)c1	ZINC000795007531	619803952	/nfs/dbraw/zinc/80/39/52/619803952.db2.gz	JJQUPBCMXPSCSJ-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
Cc1cc(O)c(CN2CCC[C@@H](C#N)C2)cc1Cl	ZINC000896500544	620017873	/nfs/dbraw/zinc/01/78/73/620017873.db2.gz	HESBJPSNLGJJPQ-NSHDSACASA-N	-1	0	264.756	3.090	20	30		CGEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1	ZINC000084920110	620521922	/nfs/dbraw/zinc/52/19/22/620521922.db2.gz	KUQCTRKGPBMRCL-UHFFFAOYSA-N	-1	0	297.335	3.215	20	30		CGEDRM
C=CCc1ccc(-c2cnn([C@H](C)CC(=O)[O-])c2)cc1	ZINC000901088500	620832942	/nfs/dbraw/zinc/83/29/42/620832942.db2.gz	XCIWPTSHBXEJJP-GFCCVEGCSA-N	-1	0	270.332	3.314	20	30		CGEDRM
C=CCCCCCN(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000901786970	621026796	/nfs/dbraw/zinc/02/67/96/621026796.db2.gz	UIKJQTNUDWZZFL-PKNBQFBNSA-N	-1	0	291.347	3.196	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1cc(C)ccc1C)C(=O)[O-]	ZINC000905052570	622030720	/nfs/dbraw/zinc/03/07/20/622030720.db2.gz	KAWILWWXUDLSIG-ZDUSSCGKSA-N	-1	0	290.363	3.234	20	30		CGEDRM
Cc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])cc1C#N	ZINC000906247341	622198991	/nfs/dbraw/zinc/19/89/91/622198991.db2.gz	JZCSBWXDGSYXFD-UHFFFAOYSA-N	-1	0	269.304	3.009	20	30		CGEDRM
C=CC1(CC(=O)N(CCC(=O)[O-])C(C)C)CCCCC1	ZINC000907574830	622301800	/nfs/dbraw/zinc/30/18/00/622301800.db2.gz	NFVYCYNEUDCZCT-UHFFFAOYSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=CC1(CC(=O)N[C@H](CC(=C)Cl)C(=O)[O-])CCCCC1	ZINC000907743577	622309417	/nfs/dbraw/zinc/30/94/17/622309417.db2.gz	KIDQXYPRMBDUAJ-GFCCVEGCSA-N	-1	0	299.798	3.225	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1	ZINC000907750991	622310319	/nfs/dbraw/zinc/31/03/19/622310319.db2.gz	VMOJMCATQFSGTP-DZGCQCFKSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1	ZINC000907750993	622310548	/nfs/dbraw/zinc/31/05/48/622310548.db2.gz	VMOJMCATQFSGTP-UKRRQHHQSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000907789153	622312685	/nfs/dbraw/zinc/31/26/85/622312685.db2.gz	WMHVTUMUHLGILU-LBPRGKRZSA-N	-1	0	275.348	3.340	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000909222584	622407223	/nfs/dbraw/zinc/40/72/23/622407223.db2.gz	XJRQHOSJZISTRP-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000909288855	622414143	/nfs/dbraw/zinc/41/41/43/622414143.db2.gz	XPMPVAMVHWHRBV-UHFFFAOYSA-N	-1	0	275.348	3.200	20	30		CGEDRM
CCCCCCCC(=O)NC(C)(C)c1cc(C(=O)[O-])on1	ZINC000909923619	622435653	/nfs/dbraw/zinc/43/56/53/622435653.db2.gz	OSQYLECEZDOILK-UHFFFAOYSA-N	-1	0	296.367	3.085	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910741861	622502817	/nfs/dbraw/zinc/50/28/17/622502817.db2.gz	ZYVGRTIFDQGFRS-UHFFFAOYSA-N	-1	0	294.376	3.260	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCOC2CCCC2)c1	ZINC000057752487	622883715	/nfs/dbraw/zinc/88/37/15/622883715.db2.gz	VMSDZYAEYSGRTA-LFIBNONCSA-N	-1	0	292.335	3.069	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708855	623003092	/nfs/dbraw/zinc/00/30/92/623003092.db2.gz	ZVRJZBKNVSUBKX-UHFFFAOYSA-N	-1	0	289.784	3.421	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)c([O-])c1	ZINC000759084696	623519479	/nfs/dbraw/zinc/51/94/79/623519479.db2.gz	PXWLEIFQVIYOHM-SNAWJCMRSA-N	-1	0	295.747	3.407	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000916346823	624148736	/nfs/dbraw/zinc/14/87/36/624148736.db2.gz	WNEMKXNLWSHFPS-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccsc2)n1	ZINC000916844207	624217637	/nfs/dbraw/zinc/21/76/37/624217637.db2.gz	YELUABVGRPDUNL-QUCGXOGASA-N	-1	0	274.370	3.403	20	30		CGEDRM
CCCCC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1	ZINC000917554448	624287909	/nfs/dbraw/zinc/28/79/09/624287909.db2.gz	OHYGKFCEJILAHG-UHFFFAOYSA-N	-1	0	294.362	3.359	20	30		CGEDRM
CC(C)(C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000920175272	624454656	/nfs/dbraw/zinc/45/46/56/624454656.db2.gz	UOCPZSJWECJYHJ-MKMNVTDBSA-N	-1	0	270.716	3.419	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@@H]2CCOC2)n1	ZINC000835200833	634393577	/nfs/dbraw/zinc/39/35/77/634393577.db2.gz	PTFAYRWBTNVQLJ-OPVGQWETSA-N	-1	0	290.388	3.035	20	30		CGEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)CCCC	ZINC000069574662	624868820	/nfs/dbraw/zinc/86/88/20/624868820.db2.gz	PNCOFKVEVRIEQY-LLVKDONJSA-N	-1	0	263.403	3.289	20	30		CGEDRM
Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1C(=O)[O-]	ZINC000923065119	626127896	/nfs/dbraw/zinc/12/78/96/626127896.db2.gz	WHRTYUBVNRIMSX-QGZVFWFLSA-N	-1	0	298.342	3.106	20	30		CGEDRM
CC1(C)CC(N=Nc2ccccc2C(=O)[O-])C(C)(C)O1	ZINC000755886790	626655922	/nfs/dbraw/zinc/65/59/22/626655922.db2.gz	PHJCWZGSCPWOIR-UHFFFAOYSA-N	-1	0	276.336	3.130	20	30		CGEDRM
CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000756226596	626685421	/nfs/dbraw/zinc/68/54/21/626685421.db2.gz	VHFIPNCFHRHUBW-BBRMVZONSA-N	-1	0	298.386	3.145	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc(Cl)cs2)nc(C)n1	ZINC000759429529	626897354	/nfs/dbraw/zinc/89/73/54/626897354.db2.gz	MHBZSCGWWSBDGD-JTQLQIEISA-N	-1	0	291.763	3.298	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCc3ccccc32)c1	ZINC000759718465	626917612	/nfs/dbraw/zinc/91/76/12/626917612.db2.gz	XMESGKABPMWANL-OAHLLOKOSA-N	-1	0	292.338	3.322	20	30		CGEDRM
Cc1cccc(C2(C(=O)Nc3cc(C#N)ccc3[O-])CC2)c1	ZINC000759720460	626917751	/nfs/dbraw/zinc/91/77/51/626917751.db2.gz	GLZFDXAMBHDEPX-UHFFFAOYSA-N	-1	0	292.338	3.243	20	30		CGEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)cnc1Cl	ZINC000760216616	626944935	/nfs/dbraw/zinc/94/49/35/626944935.db2.gz	DIJGOTUUIMFXHB-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
CCC(C)(C)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000760978857	627007193	/nfs/dbraw/zinc/00/71/93/627007193.db2.gz	HXHXROQUYIHYCY-ZSOIEALJSA-N	-1	0	250.298	3.156	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C=C2CCCCC2)c1	ZINC000762817438	627125816	/nfs/dbraw/zinc/12/58/16/627125816.db2.gz	IDJQMQHZKSYGHB-UHFFFAOYSA-N	-1	0	256.305	3.093	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCCC[C@@H]2C(C)C)n1	ZINC000764640211	627215945	/nfs/dbraw/zinc/21/59/45/627215945.db2.gz	JOHMHCQGILFRLH-LLVKDONJSA-N	-1	0	262.357	3.105	20	30		CGEDRM
Cn1nccc1C(=O)/C=C\c1cc(Cl)c([O-])cc1Cl	ZINC000766037735	627289981	/nfs/dbraw/zinc/28/99/81/627289981.db2.gz	PDVONYLRBWZFQN-IHWYPQMZSA-N	-1	0	297.141	3.329	20	30		CGEDRM
Cc1ccc(F)c(C(=O)Nc2cc(C#N)ccc2[O-])c1F	ZINC000767116287	627383963	/nfs/dbraw/zinc/38/39/63/627383963.db2.gz	NEGCZSAAGFJWRD-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
CC[C@@H]1C[C@@H](C)CCC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000769566884	627566965	/nfs/dbraw/zinc/56/69/65/627566965.db2.gz	LXPKNGNXFBWRLN-GXSJLCMTSA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC(=NN=c1[nH]c2ccccc2n1C)c1sccc1[O-]	ZINC000769782544	627577821	/nfs/dbraw/zinc/57/78/21/627577821.db2.gz	ZWAHQYSYIBRZRL-UHFFFAOYSA-N	-1	0	286.360	3.177	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CCCOCC2)ccc1Cl	ZINC000770599389	627630396	/nfs/dbraw/zinc/63/03/96/627630396.db2.gz	POSRIIIOXZXPAZ-UHFFFAOYSA-N	-1	0	282.727	3.007	20	30		CGEDRM
CC(=NNC[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1[O-]	ZINC000771100098	627682571	/nfs/dbraw/zinc/68/25/71/627682571.db2.gz	RZILNGMCPMQOJM-ZETCQYMHSA-N	-1	0	286.162	3.172	20	30		CGEDRM
N#Cc1ccc(CCCN=Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000774301944	627974029	/nfs/dbraw/zinc/97/40/29/627974029.db2.gz	OYFNAGFQNJNAQW-UHFFFAOYSA-N	-1	0	293.326	3.287	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cccc(Cl)c1[O-]	ZINC000775656502	628121380	/nfs/dbraw/zinc/12/13/80/628121380.db2.gz	VIRUAHPLUMWVKT-UHFFFAOYSA-N	-1	0	253.729	3.084	20	30		CGEDRM
CC(=NOC1CCCCC1)c1ccccc1C(=O)[O-]	ZINC000777456482	628272682	/nfs/dbraw/zinc/27/26/82/628272682.db2.gz	BFJXHVBUDFOATH-UHFFFAOYSA-N	-1	0	261.321	3.458	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000781109005	628537390	/nfs/dbraw/zinc/53/73/90/628537390.db2.gz	WKLPTQYHXHUKKV-XBXARRHUSA-N	-1	0	295.269	3.292	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782206937	628624777	/nfs/dbraw/zinc/62/47/77/628624777.db2.gz	MEAZPGWPSZCDSP-NSCUHMNNSA-N	-1	0	262.286	3.244	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)o1	ZINC000782206745	628624804	/nfs/dbraw/zinc/62/48/04/628624804.db2.gz	KDFCGLKODONBMS-PLNGDYQASA-N	-1	0	276.313	3.498	20	30		CGEDRM
O=C(/C=C/c1scnc1C1CC1)c1ccc(O)cc1[O-]	ZINC000782343510	628640350	/nfs/dbraw/zinc/64/03/50/628640350.db2.gz	WIEAGXGITCMELC-AATRIKPKSA-N	-1	0	287.340	3.328	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cscn2)c(Cl)c1	ZINC000783712972	628742556	/nfs/dbraw/zinc/74/25/56/628742556.db2.gz	LONLZFMBDUBUNM-ARJAWSKDSA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1ccnc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)c1	ZINC000789023766	629097609	/nfs/dbraw/zinc/09/76/09/629097609.db2.gz	OPGLJLBGIQYNEU-AWEZNQCLSA-N	-1	0	295.342	3.168	20	30		CGEDRM
CC1=C[C@@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000789636035	629156570	/nfs/dbraw/zinc/15/65/70/629156570.db2.gz	FVZXTAYSCQEGBE-ZYHUDNBSSA-N	-1	0	273.336	3.170	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1	ZINC000862546259	629398270	/nfs/dbraw/zinc/39/82/70/629398270.db2.gz	KIPJRPQFGBRZMK-JTQLQIEISA-N	-1	0	288.372	3.155	20	30		CGEDRM
CC[C@@H](NN=C(C(C)C)C1CCCCC1)C(=O)[O-]	ZINC000793055971	629406267	/nfs/dbraw/zinc/40/62/67/629406267.db2.gz	RACMERQHZGKJDE-GFCCVEGCSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793058558	629406594	/nfs/dbraw/zinc/40/65/94/629406594.db2.gz	VPNJAVRKXXXFSW-QWHCGFSZSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@@H](NN=C(C)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793081978	629408842	/nfs/dbraw/zinc/40/88/42/629408842.db2.gz	QWHXVCNFHAAEHU-TVQRCGJNSA-N	-1	0	282.771	3.272	20	30		CGEDRM
Cc1ccncc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000794453416	629544942	/nfs/dbraw/zinc/54/49/42/629544942.db2.gz	MTDFGNKWXGTCCQ-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
C[C@@H]1CC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000794677262	629565842	/nfs/dbraw/zinc/56/58/42/629565842.db2.gz	TZRXOAVUAPTDRS-JGFSPYKLSA-N	-1	0	268.700	3.171	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000794941329	629603439	/nfs/dbraw/zinc/60/34/39/629603439.db2.gz	OCOVYINVSFSHQP-ONEGZZNKSA-N	-1	0	292.285	3.344	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=NNc1cccc(F)n1	ZINC000795006157	629619650	/nfs/dbraw/zinc/61/96/50/629619650.db2.gz	FDRCYNYXBKRUGL-UHFFFAOYSA-N	-1	0	265.675	3.026	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1cc2ccccn2n1	ZINC000795607908	629701638	/nfs/dbraw/zinc/70/16/38/629701638.db2.gz	LHMSPLAKUKHFMV-UHFFFAOYSA-N	-1	0	295.408	3.046	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1	ZINC000864156587	629787756	/nfs/dbraw/zinc/78/77/56/629787756.db2.gz	PYVWYBXSMHQLBQ-ZDUSSCGKSA-N	-1	0	287.359	3.122	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864188395	629795014	/nfs/dbraw/zinc/79/50/14/629795014.db2.gz	IDZLWEXQKATZHN-CLFYSBASSA-N	-1	0	291.347	3.100	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2C[C@H]2C2CC2)c1[O-]	ZINC000797397245	629940636	/nfs/dbraw/zinc/94/06/36/629940636.db2.gz	ACKIGHDMBPPGFD-OHGDKUBZSA-N	-1	0	280.711	3.171	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H]1C[C@H]1c1ccccc1	ZINC000802712938	630405109	/nfs/dbraw/zinc/40/51/09/630405109.db2.gz	XNCKUGYAIPVPAD-GJZGRUSLSA-N	-1	0	295.342	3.371	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c(F)c1	ZINC000806558816	630566930	/nfs/dbraw/zinc/56/69/30/630566930.db2.gz	MSZDNMUNRYUPPF-SREVYHEPSA-N	-1	0	295.269	3.292	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)c(C(F)F)n1	ZINC000812241584	631231524	/nfs/dbraw/zinc/23/15/24/631231524.db2.gz	KEDOVWCDKJTEIZ-ONEGZZNKSA-N	-1	0	296.248	3.099	20	30		CGEDRM
Cc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000812441944	631261925	/nfs/dbraw/zinc/26/19/25/631261925.db2.gz	JTYKLMPOIXFOLP-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@H](C)C2CCCCC2)n1	ZINC000814682267	631621902	/nfs/dbraw/zinc/62/19/02/631621902.db2.gz	HPPMNVWMSILJTH-JTQLQIEISA-N	-1	0	262.357	3.105	20	30		CGEDRM
Cc1cccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814687571	631623084	/nfs/dbraw/zinc/62/30/84/631623084.db2.gz	LQULEQDXQGJREY-VXGBXAGGSA-N	-1	0	260.337	3.284	20	30		CGEDRM
COC1(CC(C)N=Nc2cccc(C(=O)[O-])c2)CCC1	ZINC000814687578	631623384	/nfs/dbraw/zinc/62/33/84/631623384.db2.gz	LYMCBOZWMPQRHU-UHFFFAOYSA-N	-1	0	276.336	3.132	20	30		CGEDRM
O=C([O-])c1cccc(C=NNCc2cccc(Cl)c2)c1	ZINC000814867526	631659397	/nfs/dbraw/zinc/65/93/97/631659397.db2.gz	ITDUWIQNPWWGSR-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
COc1cc(F)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814870470	631660158	/nfs/dbraw/zinc/66/01/58/631660158.db2.gz	DBAMIMGCXMEEDQ-ZJUUUORDSA-N	-1	0	294.326	3.123	20	30		CGEDRM
C[C@@H]1C(=NNCc2ccc(Cl)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814873221	631661495	/nfs/dbraw/zinc/66/14/95/631661495.db2.gz	RYHALDPFGCUXEU-CMPLNLGQSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CCC(CC)(CC)CN=Nc1ccc(C(=O)[O-])cn1	ZINC000814890594	631666939	/nfs/dbraw/zinc/66/69/39/631666939.db2.gz	SSNINYIEFQVHIS-UHFFFAOYSA-N	-1	0	263.341	3.394	20	30		CGEDRM
COc1cccc(N=NC(C)CCCCCCC(=O)[O-])n1	ZINC000814900406	631670603	/nfs/dbraw/zinc/67/06/03/631670603.db2.gz	RRBLJCUMDYAPKF-UHFFFAOYSA-N	-1	0	293.367	3.303	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NOCCC(F)(F)F	ZINC000814910598	631677642	/nfs/dbraw/zinc/67/76/42/631677642.db2.gz	YLAHBKVGJULBJK-UHFFFAOYSA-N	-1	0	285.624	3.488	20	30		CGEDRM
C[C@H]1C(=NNC2CCCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814910120	631678306	/nfs/dbraw/zinc/67/83/06/631678306.db2.gz	RALJHWIUWYNNPU-WCQYABFASA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=N[C@H]1CCCCC1(C)C	ZINC000814916702	631679792	/nfs/dbraw/zinc/67/97/92/631679792.db2.gz	CSBCDRUQLZKPMU-DYEKYZERSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OC[C@H](C)CC)c1ccccc1	ZINC000816978928	632068864	/nfs/dbraw/zinc/06/88/64/632068864.db2.gz	DORMYDDHHJKQTL-UKRRQHHQSA-N	-1	0	261.365	3.440	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1nc2ccccc2o1	ZINC000819952165	632546605	/nfs/dbraw/zinc/54/66/05/632546605.db2.gz	MPCFPEBUBBBVFM-SNVBAGLBSA-N	-1	0	270.263	3.412	20	30		CGEDRM
CC(=NNc1cccc(C#N)c1)c1ccc(C(=O)[O-])cc1	ZINC000825809234	633382573	/nfs/dbraw/zinc/38/25/73/633382573.db2.gz	OZOXYYUKFQUYFL-UHFFFAOYSA-N	-1	0	279.299	3.093	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000105714443	635990409	/nfs/dbraw/zinc/99/04/09/635990409.db2.gz	PADZXSDZCSZTAP-AWEZNQCLSA-N	-1	0	283.412	3.450	20	30		CGEDRM
O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccccc2)c1	ZINC000208111287	633549054	/nfs/dbraw/zinc/54/90/54/633549054.db2.gz	RNXIZJDGYYUJFZ-KTKRTIGZSA-N	-1	0	296.322	3.436	20	30		CGEDRM
CC(C)(CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831271957	633935320	/nfs/dbraw/zinc/93/53/20/633935320.db2.gz	PADZEPZKSYHAQK-UHFFFAOYSA-N	-1	0	286.253	3.181	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2CCC(F)(F)C2)cc1	ZINC000872387537	634128260	/nfs/dbraw/zinc/12/82/60/634128260.db2.gz	SFUMBOJVSBMKAY-LLVKDONJSA-N	-1	0	282.290	3.147	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=NC1CCC(C)(C)CC1	ZINC000872395397	634130779	/nfs/dbraw/zinc/13/07/79/634130779.db2.gz	KVGPRVRSJSVJRJ-RYUDHWBXSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1CC[C@H](C)C(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000834966549	634296835	/nfs/dbraw/zinc/29/68/35/634296835.db2.gz	JXOJVTJZBYUYLC-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C#CCCCCCCN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000834966165	634296937	/nfs/dbraw/zinc/29/69/37/634296937.db2.gz	DLEODLOUYJRBSW-UHFFFAOYSA-N	-1	0	288.347	3.375	20	30		CGEDRM
C[C@@H]1C[C@@H](C)CCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006771	634311925	/nfs/dbraw/zinc/31/19/25/634311925.db2.gz	ISZIXMPOGMCMIY-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccc(C)cc1	ZINC000835009001	634313249	/nfs/dbraw/zinc/31/32/49/634313249.db2.gz	PTBODFJXWQYOOZ-UHFFFAOYSA-N	-1	0	274.364	3.106	20	30		CGEDRM
CSCCCCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009078	634313285	/nfs/dbraw/zinc/31/32/85/634313285.db2.gz	QZIWIMKFHMMFOC-UHFFFAOYSA-N	-1	0	270.329	3.065	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCCF)cn1	ZINC000835009847	634314389	/nfs/dbraw/zinc/31/43/89/634314389.db2.gz	FOLKWKRCHRHPII-JTQLQIEISA-N	-1	0	279.315	3.098	20	30		CGEDRM
CC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009824	634314500	/nfs/dbraw/zinc/31/45/00/634314500.db2.gz	DRJQTAUNUNBKPX-MRVPVSSYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
C=CCNC(=S)[N-]c1ccc(C)cc1SC	ZINC000840858013	635066585	/nfs/dbraw/zinc/06/65/85/635066585.db2.gz	XSBKOWYBYVCEDL-UHFFFAOYSA-N	-1	0	252.408	3.189	20	30		CGEDRM
C=CCN(C(=O)c1cc(F)cc(Cl)c1[O-])C(C)C	ZINC000841391487	635172751	/nfs/dbraw/zinc/17/27/51/635172751.db2.gz	XHUIBKXKJYCXML-UHFFFAOYSA-N	-1	0	271.719	3.221	20	30		CGEDRM
CC(CCCCC#N)N=Nc1cccc(C(=O)[O-])c1	ZINC000841604970	635195165	/nfs/dbraw/zinc/19/51/65/635195165.db2.gz	WAVLHDMOJQDPLM-UHFFFAOYSA-N	-1	0	259.309	3.257	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc(C2CC2)cs1	ZINC000842941870	635522079	/nfs/dbraw/zinc/52/20/79/635522079.db2.gz	UACSICGTZLUVBE-ACVFHECNSA-N	-1	0	295.367	3.305	20	30		CGEDRM
CCC1(CC)CCC(N=Nc2nnc(C)c(=O)[n-]2)CC1	ZINC000844565866	635932146	/nfs/dbraw/zinc/93/21/46/635932146.db2.gz	RZJOJBFDXQVXPV-UHFFFAOYSA-N	-1	0	277.372	3.034	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CC1	ZINC000846538157	636195155	/nfs/dbraw/zinc/19/51/55/636195155.db2.gz	FZSZGHRMQKJOIQ-UHFFFAOYSA-N	-1	0	299.292	3.361	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	ZINC000846552468	636200735	/nfs/dbraw/zinc/20/07/35/636200735.db2.gz	IKWNIHRRLHYCNL-LDYMZIIASA-N	-1	0	291.244	3.338	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000213229211	636439611	/nfs/dbraw/zinc/43/96/11/636439611.db2.gz	UHPVEJOYUIXQKX-SREVYHEPSA-N	-1	0	288.324	3.351	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1ccccc1OC(C)C	ZINC000848244800	636546282	/nfs/dbraw/zinc/54/62/82/636546282.db2.gz	FDLIWBCEQNSITJ-LLVKDONJSA-N	-1	0	299.317	3.188	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCCC23CCC3)cc1	ZINC000848413919	636570463	/nfs/dbraw/zinc/57/04/63/636570463.db2.gz	FGMPZADWTIREJV-UHFFFAOYSA-N	-1	0	272.348	3.436	20	30		CGEDRM
N#Cc1ccccc1COC(=O)c1ccc([O-])c(Cl)c1	ZINC000848950088	636701755	/nfs/dbraw/zinc/70/17/55/636701755.db2.gz	LUNFUHWRTNUOGX-UHFFFAOYSA-N	-1	0	287.702	3.274	20	30		CGEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)C1CCCC1	ZINC000086055443	636780559	/nfs/dbraw/zinc/78/05/59/636780559.db2.gz	WQBMNEVPSGYTBP-UHFFFAOYSA-N	-1	0	273.398	3.186	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCC1CCC1)CCC2	ZINC000853439192	637842926	/nfs/dbraw/zinc/84/29/26/637842926.db2.gz	AOILNPDDCGPPQW-UHFFFAOYSA-N	-1	0	277.320	3.143	20	30		CGEDRM
CC(=NOCC1CCC1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000853440802	637844621	/nfs/dbraw/zinc/84/46/21/637844621.db2.gz	JCOFTDYKFSUPBM-LBPRGKRZSA-N	-1	0	291.347	3.079	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](CC)Sc1ccccc1	ZINC000856032012	638287511	/nfs/dbraw/zinc/28/75/11/638287511.db2.gz	HAIQAOJOYPORBP-CYBMUJFWSA-N	-1	0	265.378	3.181	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](c1ccccc1)[C@@H](C)CC	ZINC000856032946	638288207	/nfs/dbraw/zinc/28/82/07/638288207.db2.gz	XUZYOOQYDVZHHP-ZFWWWQNUSA-N	-1	0	261.365	3.440	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494276	640056644	/nfs/dbraw/zinc/05/66/44/640056644.db2.gz	OSKYKRRCWQRWQX-UHFFFAOYSA-N	-1	0	275.757	3.175	20	30		CGEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C1CC1	ZINC000049135172	640083820	/nfs/dbraw/zinc/08/38/20/640083820.db2.gz	MRYGOQXUWAPEGY-SNVBAGLBSA-N	-1	0	299.367	3.048	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000090548561	640685042	/nfs/dbraw/zinc/68/50/42/640685042.db2.gz	AACDPQIFRBEZFP-YVMONPNESA-N	-1	0	270.284	3.003	20	30		CGEDRM
N#Cc1cnc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)nc1	ZINC001250508482	805664142	/nfs/dbraw/zinc/66/41/42/805664142.db2.gz	RRTKQRITVJOYMS-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)c1C#N	ZINC001252074646	805981785	/nfs/dbraw/zinc/98/17/85/805981785.db2.gz	AUIGRSSEFLCVLI-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CCCCCCCCCCCc1cn(CC(=O)[O-])nn1	ZINC001254093866	806340663	/nfs/dbraw/zinc/34/06/63/806340663.db2.gz	IGNJYGKNKFGNSI-UHFFFAOYSA-N	-1	0	281.400	3.436	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2scnc2C)n1	ZINC000588522525	799705719	/nfs/dbraw/zinc/70/57/19/799705719.db2.gz	HGASZBGGUVIKPN-XOULXFPDSA-N	-1	0	289.385	3.106	20	30		CGEDRM
CO[C@](C)(C/N=C\c1cc(Cl)ccc1O)C1CC1	ZINC000812445372	800450081	/nfs/dbraw/zinc/45/00/81/800450081.db2.gz	WKLZGLSAROOOIY-MEFZMRIGSA-N	-1	0	267.756	3.280	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccccc1Cl	ZINC001117742633	802484225	/nfs/dbraw/zinc/48/42/25/802484225.db2.gz	SZTAKXPCKXARTF-GHMZBOCLSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C=CC1(CC(=O)N(C)C(C)(C)CC(=O)[O-])CCCCC1	ZINC001120416497	802744785	/nfs/dbraw/zinc/74/47/85/802744785.db2.gz	CGDSQLISHSUOTR-UHFFFAOYSA-N	-1	0	281.396	3.225	20	30		CGEDRM
CC(C)c1scnc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122648139	802878495	/nfs/dbraw/zinc/87/84/95/802878495.db2.gz	ZDVFLWKAWGYXQP-SECBINFHSA-N	-1	0	289.335	3.291	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001123380200	802938929	/nfs/dbraw/zinc/93/89/29/802938929.db2.gz	NQVGUFVQJIZVRP-GFCCVEGCSA-N	-1	0	275.348	3.245	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(CCC(=O)[O-])cc3)c2)CC1	ZINC001244188956	803233701	/nfs/dbraw/zinc/23/37/01/803233701.db2.gz	CISXRXLBQLDDSS-UHFFFAOYSA-N	-1	0	292.338	3.321	20	30		CGEDRM
N#Cc1ccc(-c2ccc(CCC(=O)[O-])cc2)c(C#N)c1	ZINC001244191855	803236394	/nfs/dbraw/zinc/23/63/94/803236394.db2.gz	SVULAJHOTKOAGU-UHFFFAOYSA-N	-1	0	276.295	3.114	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc(C)n1	ZINC001244419447	803360510	/nfs/dbraw/zinc/36/05/10/803360510.db2.gz	BFYSKFBDXPMYFA-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
N#Cc1ccnnc1-c1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC001244513912	803412368	/nfs/dbraw/zinc/41/23/68/803412368.db2.gz	PACHOVPDXNOYDN-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1c(F)c([O-])ccc1Cl	ZINC001244537399	803424889	/nfs/dbraw/zinc/42/48/89/803424889.db2.gz	DLUMOJFAKCPDOV-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244610358	803463479	/nfs/dbraw/zinc/46/34/79/803463479.db2.gz	POKQISMFJDNBKF-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
N#Cc1cnc2ccc(-c3ccc(Cl)c([O-])c3F)cn12	ZINC001244631971	803474802	/nfs/dbraw/zinc/47/48/02/803474802.db2.gz	CEGPMSTYCXEWLC-UHFFFAOYSA-N	-1	0	287.681	3.371	20	30		CGEDRM
N#CCc1ncccc1-c1ccc(Cl)c([O-])c1F	ZINC001244634333	803476935	/nfs/dbraw/zinc/47/69/35/803476935.db2.gz	WKBVZLONVDOYKD-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1c(Cl)cccc1-c1ccccc1S(=O)(=O)[O-]	ZINC001244724049	803513771	/nfs/dbraw/zinc/51/37/71/803513771.db2.gz	IUYXVGSEISHRJK-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
N#Cc1ccc2c(c1)nccc2-c1cnc(F)c(C(=O)[O-])c1	ZINC001244753514	803519891	/nfs/dbraw/zinc/51/98/91/803519891.db2.gz	PQVWLTYXJMIMNQ-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
C=C(C)c1cncc(-c2cnc(F)c(C(=O)[O-])c2)c1	ZINC001244755548	803520920	/nfs/dbraw/zinc/52/09/20/803520920.db2.gz	YNWYQIASRFACMC-UHFFFAOYSA-N	-1	0	258.252	3.014	20	30		CGEDRM
O=C([O-])c1cnc(F)c(-c2ccc(CS)cc2)c1	ZINC001244762570	803523268	/nfs/dbraw/zinc/52/32/68/803523268.db2.gz	PBTPUNUKWYPWJP-UHFFFAOYSA-N	-1	0	263.293	3.016	20	30		CGEDRM
Cc1ccc(-c2cc(C)c(C(=O)[O-])c(C)c2)c(C#N)n1	ZINC001244946442	803586570	/nfs/dbraw/zinc/58/65/70/803586570.db2.gz	BLVIXNDACZLYSS-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cc(-c2cnc3[nH]cc(C#N)c3c2)cc(C)c1C(=O)[O-]	ZINC001244948274	803587904	/nfs/dbraw/zinc/58/79/04/803587904.db2.gz	HDMXOOCLWVYAJK-UHFFFAOYSA-N	-1	0	291.310	3.417	20	30		CGEDRM
Cc1nc(-c2cccc(C(=O)[O-])c2C)ccc1CC#N	ZINC001245296141	803693548	/nfs/dbraw/zinc/69/35/48/803693548.db2.gz	ATRIQCMTEVQLSU-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cccc(C(=O)[O-])c2C)n1	ZINC001245298127	803694012	/nfs/dbraw/zinc/69/40/12/803694012.db2.gz	YZGXNRALWPGOIX-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
COc1nc(C)c(-c2cccc(C(=O)[O-])c2C)c(C)c1C#N	ZINC001245298780	803694059	/nfs/dbraw/zinc/69/40/59/803694059.db2.gz	FFDLHDVWWDJMSH-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2Cl)n1	ZINC001245371356	803717417	/nfs/dbraw/zinc/71/74/17/803717417.db2.gz	OYVLCUCLAVWNOQ-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1cnc(-c2c([O-])cccc2F)cc1C(F)(F)F	ZINC001245654197	803887284	/nfs/dbraw/zinc/88/72/84/803887284.db2.gz	MTZNTFWMJJWNHK-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1nc(-c2cc(Cl)c([O-])cc2F)c(F)cc1C#N	ZINC001245669224	803897889	/nfs/dbraw/zinc/89/78/89/803897889.db2.gz	OMYMBQZSBAZPHZ-UHFFFAOYSA-N	-1	0	296.660	3.266	20	30		CGEDRM
N#Cc1ccc(-c2cc(Cl)c([O-])cc2F)nc1F	ZINC001245669461	803898847	/nfs/dbraw/zinc/89/88/47/803898847.db2.gz	SRNHGNKLEQRIOG-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
COc1ncc(-c2cc(Cl)c([O-])cc2F)cc1C#N	ZINC001245669568	803898941	/nfs/dbraw/zinc/89/89/41/803898941.db2.gz	JPKOFJDZIFIMDB-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccc(F)cc3)[n-]2)cc1	ZINC001245937052	804068177	/nfs/dbraw/zinc/06/81/77/804068177.db2.gz	INCKCMBYXXAFKH-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3ccc(Cl)nc3)cc2=O)c1	ZINC001245946691	804079340	/nfs/dbraw/zinc/07/93/40/804079340.db2.gz	PGSSJYIDEJMMLA-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3ccc(F)c(F)c3)cc2=O)cc1	ZINC001245946029	804079407	/nfs/dbraw/zinc/07/94/07/804079407.db2.gz	TXCODHWHFPWZKD-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
CN(CC#N)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC001141357219	804634130	/nfs/dbraw/zinc/63/41/30/804634130.db2.gz	GQMDSWNUFFTNBJ-UHFFFAOYSA-N	-1	0	280.327	3.007	20	30		CGEDRM
N#CCCc1nc(-c2ccc3[n-]c(=S)sc3c2)no1	ZINC001247445548	804737998	/nfs/dbraw/zinc/73/79/98/804737998.db2.gz	VIPMQHVWTIFJRY-UHFFFAOYSA-N	-1	0	288.357	3.091	20	30		CGEDRM
COc1c(F)ccc(Nc2cc(C#N)c(F)cc2[O-])c1F	ZINC001212505596	815042487	/nfs/dbraw/zinc/04/24/87/815042487.db2.gz	SQNYXJAPSNBGGZ-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](Oc1cccc(Cl)c1)C(C)C	ZINC001144590334	805011177	/nfs/dbraw/zinc/01/11/77/805011177.db2.gz	ZVRXYNLVNNAUHM-BXUZGUMPSA-N	-1	0	297.782	3.366	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	ZINC001144640119	805018922	/nfs/dbraw/zinc/01/89/22/805018922.db2.gz	LBCBIOCFXDPFPQ-ZDUSSCGKSA-N	-1	0	291.391	3.375	20	30		CGEDRM
COc1cc(Nc2cc([O-])c(F)c(F)c2F)ccc1C#N	ZINC001249964955	805332584	/nfs/dbraw/zinc/33/25/84/805332584.db2.gz	PNSYCVUDACVGCR-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1cccc(C(=O)Cc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001250288890	805544487	/nfs/dbraw/zinc/54/44/87/805544487.db2.gz	ALJICEUTUICBSZ-UHFFFAOYSA-N	-1	0	299.713	3.335	20	30		CGEDRM
N#CCOc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001212609645	815085082	/nfs/dbraw/zinc/08/50/82/815085082.db2.gz	XGZROWYECZXIPD-UHFFFAOYSA-N	-1	0	268.272	3.031	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1cccc2ccccc21	ZINC001168627688	807459906	/nfs/dbraw/zinc/45/99/06/807459906.db2.gz	WBEUNNRSEFPYEJ-ZDUSSCGKSA-N	-1	0	285.343	3.231	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)s2)c(C)c1	ZINC001259096673	807673667	/nfs/dbraw/zinc/67/36/67/807673667.db2.gz	AYBDYLQMQJOZFY-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1ccc(OCCNc2cc(F)ccc2[S-])cc1	ZINC001171484346	808073400	/nfs/dbraw/zinc/07/34/00/808073400.db2.gz	JGYOETQGHSTCAH-UHFFFAOYSA-N	-1	0	288.347	3.477	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)cc2F)c([O-])cc1F	ZINC001173928241	808767046	/nfs/dbraw/zinc/76/70/46/808767046.db2.gz	PYEDKDKCZURQAU-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001174685574	809130338	/nfs/dbraw/zinc/13/03/38/809130338.db2.gz	UKIIPXVWTIDMIR-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc(C(=O)[O-])s1	ZINC001174808479	809168403	/nfs/dbraw/zinc/16/84/03/809168403.db2.gz	RMKUQJPPYCCFJW-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])s2)cc1C#N	ZINC001174810764	809169130	/nfs/dbraw/zinc/16/91/30/809169130.db2.gz	RXAQWZLWICPHDY-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1c(F)c(F)cc(Nc2ccc(C(=O)[O-])s2)c1F	ZINC001174812924	809169856	/nfs/dbraw/zinc/16/98/56/809169856.db2.gz	QLJOPLDMRLCQRE-UHFFFAOYSA-N	-1	0	298.245	3.479	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175159685	809292688	/nfs/dbraw/zinc/29/26/88/809292688.db2.gz	DXJMJJOPAUEISK-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(C#N)c1	ZINC001175269079	809334263	/nfs/dbraw/zinc/33/42/63/809334263.db2.gz	AMMCHFUQLPDNCA-UHFFFAOYSA-N	-1	0	288.253	3.488	20	30		CGEDRM
Cc1cnc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1	ZINC001175316783	809352470	/nfs/dbraw/zinc/35/24/70/809352470.db2.gz	ZYCPBOIQYLTUJD-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1ccc(Nc2cccc(C(=O)[O-])c2)cc1C#N	ZINC001175329741	809357911	/nfs/dbraw/zinc/35/79/11/809357911.db2.gz	SUACANOHGKDQTM-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175335176	809360024	/nfs/dbraw/zinc/36/00/24/809360024.db2.gz	WZGUWGISDQTMQT-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1c2c[nH]nc2ccc1Nc1scc([O-])c1C#N	ZINC001175465288	809414961	/nfs/dbraw/zinc/41/49/61/809414961.db2.gz	PBBLKHVTQDSOEK-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
N#Cc1cc(Nc2ccc3nccnc3c2)c([O-])cc1F	ZINC001175494532	809428959	/nfs/dbraw/zinc/42/89/59/809428959.db2.gz	MMAACZZCVTVUMJ-UHFFFAOYSA-N	-1	0	280.262	3.090	20	30		CGEDRM
Cc1cccc(Cl)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001295829098	809494588	/nfs/dbraw/zinc/49/45/88/809494588.db2.gz	XRIDSWZISBTDPE-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
Cc1cc(C)c(CC(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC001295827901	809494736	/nfs/dbraw/zinc/49/47/36/809494736.db2.gz	JLWHYPPYSINHGD-UHFFFAOYSA-N	-1	0	286.356	3.123	20	30		CGEDRM
N#Cc1c(F)c(Cl)ccc1Nc1cncc(C(=O)[O-])c1	ZINC001175842945	809554410	/nfs/dbraw/zinc/55/44/10/809554410.db2.gz	GOQCGSIROVJBTN-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ncc(Nc2c(F)cc(F)c([O-])c2F)cc1Cl	ZINC001176664323	809738245	/nfs/dbraw/zinc/73/82/45/809738245.db2.gz	UQEFTZFAMQNWAJ-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C#N)c1	ZINC001176676858	809740919	/nfs/dbraw/zinc/74/09/19/809740919.db2.gz	JYCLQVLGZRTFEU-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213629785	815314115	/nfs/dbraw/zinc/31/41/15/815314115.db2.gz	QLFOAHWGPRFCGM-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccnc1N1CCCC1	ZINC001176749924	809757500	/nfs/dbraw/zinc/75/75/00/809757500.db2.gz	NNLGHCNHDXOBCU-UHFFFAOYSA-N	-1	0	286.360	3.064	20	30		CGEDRM
CCCCCCCCOCC(=O)[N-]OC(C)(C)C	ZINC001183030085	810135531	/nfs/dbraw/zinc/13/55/31/810135531.db2.gz	MQDZZPUTUBYAHZ-UHFFFAOYSA-N	-1	0	259.390	3.210	20	30		CGEDRM
Cc1cnc(Cl)c(NC(=O)CCC(=O)C2=CC=C[CH]2)c1	ZINC001184242120	810185433	/nfs/dbraw/zinc/18/54/33/810185433.db2.gz	ZBFLYVOVMQEVFS-UHFFFAOYSA-N	-1	0	289.742	3.032	20	30		CGEDRM
CCCCN(O)C(=O)COc1ccc(Cl)c(C)c1	ZINC001184314904	810190626	/nfs/dbraw/zinc/19/06/26/810190626.db2.gz	OEJHPRFCGSCYTC-UHFFFAOYSA-N	-1	0	271.744	3.045	20	30		CGEDRM
COc1ccc(C#N)cc1NC(=O)c1cccc([S-])c1	ZINC001186152223	810317019	/nfs/dbraw/zinc/31/70/19/810317019.db2.gz	HYJBQLIGEKLFRR-UHFFFAOYSA-N	-1	0	284.340	3.108	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC001186798595	810362204	/nfs/dbraw/zinc/36/22/04/810362204.db2.gz	OWTIZQCVRZKJTN-UHFFFAOYSA-N	-1	0	299.223	3.237	20	30		CGEDRM
C[C@@H]1C[C@H](NC(=O)c2cccc(C#N)c2[O-])c2ccccc21	ZINC001193657646	810930499	/nfs/dbraw/zinc/93/04/99/810930499.db2.gz	AAMGNXCANMZWPQ-BZNIZROVSA-N	-1	0	292.338	3.242	20	30		CGEDRM
CC(C)CCC[C@H](C)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658131	810930552	/nfs/dbraw/zinc/93/05/52/810930552.db2.gz	UXIBQVUJAAFLQR-LBPRGKRZSA-N	-1	0	274.364	3.208	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1	ZINC001214595997	815429097	/nfs/dbraw/zinc/42/90/97/815429097.db2.gz	IESPNBFIZBBGBP-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(C#N)cc2[O-])c1	ZINC001195764767	811289061	/nfs/dbraw/zinc/28/90/61/811289061.db2.gz	PCRWQJNJRWACHO-CYBMUJFWSA-N	-1	0	294.354	3.372	20	30		CGEDRM
C=CCNC(=S)Nc1c(Cl)ccc([O-])c1Cl	ZINC001200293262	811670617	/nfs/dbraw/zinc/67/06/17/811670617.db2.gz	ZZOGEINVSAWQQH-UHFFFAOYSA-N	-1	0	277.176	3.171	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201221930	811799306	/nfs/dbraw/zinc/79/93/06/811799306.db2.gz	GAJKHWKCWGSLDC-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
C=CCNC(=O)Nc1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001202572248	812125086	/nfs/dbraw/zinc/12/50/86/812125086.db2.gz	ZKAZFYOOEOKLTG-CYBMUJFWSA-N	-1	0	290.363	3.208	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccsc1C(=O)[O-]	ZINC001215396143	815516501	/nfs/dbraw/zinc/51/65/01/815516501.db2.gz	YCWNOLYWZDAAKJ-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203299642	812300104	/nfs/dbraw/zinc/30/01/04/812300104.db2.gz	RYFYHRZJGNQPTA-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203325087	812311864	/nfs/dbraw/zinc/31/18/64/812311864.db2.gz	XFCYEDUEROLLHV-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)s1	ZINC001215461892	815521365	/nfs/dbraw/zinc/52/13/65/815521365.db2.gz	ZGQZNIKDLMZODS-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001215463829	815521824	/nfs/dbraw/zinc/52/18/24/815521824.db2.gz	QZETXQCZFIFBCR-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1coc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1C#N	ZINC001215463549	815521848	/nfs/dbraw/zinc/52/18/48/815521848.db2.gz	BYKNJRVDKGOULM-UHFFFAOYSA-N	-1	0	278.214	3.180	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c([O-])cc2F)cc1C#N	ZINC001215573090	815538248	/nfs/dbraw/zinc/53/82/48/815538248.db2.gz	BSIAAPPEASKTEU-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
N#Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001204076098	812541781	/nfs/dbraw/zinc/54/17/81/812541781.db2.gz	DREHQVZWRXORBM-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
N#Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)c(C#N)c1	ZINC001205100235	812864321	/nfs/dbraw/zinc/86/43/21/812864321.db2.gz	KDUFVGKOSQEPPG-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
N#CCc1ccc(-c2ccsc2C(=O)[O-])cc1C#N	ZINC001205579114	813011388	/nfs/dbraw/zinc/01/13/88/813011388.db2.gz	JNDCPKWZKUPPLI-UHFFFAOYSA-N	-1	0	268.297	3.051	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c2c[nH]nc21	ZINC001215752146	815575526	/nfs/dbraw/zinc/57/55/26/815575526.db2.gz	JUQXLDAWPDFZCT-UHFFFAOYSA-N	-1	0	298.277	3.031	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc([O-])cc1F)CCCC2	ZINC001206051996	813182989	/nfs/dbraw/zinc/18/29/89/813182989.db2.gz	WNVPGEJWHFSDQL-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
N#Cc1ncc(-c2csc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC001206279565	813270378	/nfs/dbraw/zinc/27/03/78/813270378.db2.gz	XMOCPNCOETUPDZ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CCc1cc(F)cc(-c2csc(C(=O)[O-])c2)c1	ZINC001206303967	813280089	/nfs/dbraw/zinc/28/00/89/813280089.db2.gz	WKKXJUHEMWDWCH-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)cc2F)cc1C(=O)[O-]	ZINC001209902323	814193987	/nfs/dbraw/zinc/19/39/87/814193987.db2.gz	CPYIJLGIWXWPGF-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1c(N)cccc1C#N	ZINC001210009712	814242330	/nfs/dbraw/zinc/24/23/30/814242330.db2.gz	FYRPQCOVRZJBGA-UHFFFAOYSA-N	-1	0	285.278	3.030	20	30		CGEDRM
COc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1C#N	ZINC001210127358	814301496	/nfs/dbraw/zinc/30/14/96/814301496.db2.gz	ZFBYLILTDUNKLE-UHFFFAOYSA-N	-1	0	283.262	3.027	20	30		CGEDRM
N#Cc1cnoc1[N-]c1c(F)cccc1C(F)(F)F	ZINC001210129343	814304173	/nfs/dbraw/zinc/30/41/73/814304173.db2.gz	VKGPUUHXMCCJIP-UHFFFAOYSA-N	-1	0	271.173	3.448	20	30		CGEDRM
C[C@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])nc2)cc1	ZINC001210177881	814323002	/nfs/dbraw/zinc/32/30/02/814323002.db2.gz	PGUDVGPAZFCXDV-SNVBAGLBSA-N	-1	0	267.288	3.150	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cccc(C#N)c1F	ZINC001210257878	814369336	/nfs/dbraw/zinc/36/93/36/814369336.db2.gz	GXZIBOIWQCMYOO-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cc(F)cc(C#N)c1	ZINC001210258710	814370125	/nfs/dbraw/zinc/37/01/25/814370125.db2.gz	TTXQMQBZQCBKOP-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1cccc([O-])c1Cl	ZINC001210859985	814654674	/nfs/dbraw/zinc/65/46/74/814654674.db2.gz	PFAFNEPIWJSASB-UHFFFAOYSA-N	-1	0	260.680	3.366	20	30		CGEDRM
COc1cc(C#N)c(F)cc1Nc1ccccc1C(=O)[O-]	ZINC001210968144	814695607	/nfs/dbraw/zinc/69/56/07/814695607.db2.gz	FYCKBZVLRCUPLD-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccccc1C(=O)[O-]	ZINC001210968953	814696568	/nfs/dbraw/zinc/69/65/68/814696568.db2.gz	NRTBOIDGAZGQGZ-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2OC)cc1	ZINC001211038353	814715042	/nfs/dbraw/zinc/71/50/42/814715042.db2.gz	FCEAGOLDVGOAPU-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
COc1cccc(Nc2cccc(C(=O)[O-])c2OC)c1C#N	ZINC001211037740	814715521	/nfs/dbraw/zinc/71/55/21/814715521.db2.gz	WUXNUZKDNSNYEV-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1cnc(-c2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC001242849931	823152028	/nfs/dbraw/zinc/15/20/28/823152028.db2.gz	XMESJIYHOQXECG-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
N#Cc1cc(Nc2cc(Cl)cc(CO)c2)c([O-])cc1F	ZINC001216438810	815829654	/nfs/dbraw/zinc/82/96/54/815829654.db2.gz	PTOKEBPPKIBBBV-UHFFFAOYSA-N	-1	0	292.697	3.292	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2cccc([S-])c2)c1	ZINC001242866526	823158301	/nfs/dbraw/zinc/15/83/01/823158301.db2.gz	CPUDNXZPOQVOCU-UHFFFAOYSA-N	-1	0	269.325	3.301	20	30		CGEDRM
N#Cc1ccc(-c2ccccc2C(=O)[O-])nc1C(F)(F)F	ZINC001242877118	823161499	/nfs/dbraw/zinc/16/14/99/823161499.db2.gz	SHVKRSWQUCVISK-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(OCCC#N)cc1	ZINC001242924179	823173675	/nfs/dbraw/zinc/17/36/75/823173675.db2.gz	KVWHAFSKYZZLBS-UHFFFAOYSA-N	-1	0	297.310	3.353	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2c(F)cc(C(=O)[O-])cc2F)n1	ZINC001222392242	816429970	/nfs/dbraw/zinc/42/99/70/816429970.db2.gz	UQWIYYDRDGTFDL-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
CO[C@H](C)COC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940450	816539288	/nfs/dbraw/zinc/53/92/88/816539288.db2.gz	UEBLVPOYTLESHX-QOYDFYKXSA-N	-1	0	293.697	3.162	20	30		CGEDRM
C[C@@H]1C[C@H](O/C(=N\O)c2ccc(Cl)cc2)CCO1	ZINC001223592769	816654498	/nfs/dbraw/zinc/65/44/98/816654498.db2.gz	DXKSFOVTMWPSIT-PCZPHVEJSA-N	-1	0	269.728	3.060	20	30		CGEDRM
O/N=C(\OC[C@H]1CCCCO1)c1ccc(Cl)cc1	ZINC001223592698	816654580	/nfs/dbraw/zinc/65/45/80/816654580.db2.gz	CTVIVQMXWNCDSN-GMXMXKFQSA-N	-1	0	269.728	3.062	20	30		CGEDRM
CCCCCCCCC[C@H](C)OCCS(=O)(=O)[O-]	ZINC001224572396	816827965	/nfs/dbraw/zinc/82/79/65/816827965.db2.gz	UDVHVIKAAHTRJV-ZDUSSCGKSA-N	-1	0	280.430	3.420	20	30		CGEDRM
C#C[C@@H]1CCC[C@H]1Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884937	817205246	/nfs/dbraw/zinc/20/52/46/817205246.db2.gz	JFZKEOYOOWJRRJ-RNFRBKRXSA-N	-1	0	274.213	3.129	20	30		CGEDRM
C[C@H]1C[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C[C@@H](C)C1	ZINC001226008186	817247472	/nfs/dbraw/zinc/24/74/72/817247472.db2.gz	FWVFFLOJNHZYEM-JZYVYDRUSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C#C[C@@H]1CCC[C@H]1Oc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC001226184199	817292791	/nfs/dbraw/zinc/29/27/91/817292791.db2.gz	BZHHYAITRIXDMN-TZMCWYRMSA-N	-1	0	280.327	3.030	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)COc2ccccc2C)c1C#N	ZINC001226223151	817302546	/nfs/dbraw/zinc/30/25/46/817302546.db2.gz	LIPWGBUFRYSQNA-CYBMUJFWSA-N	-1	0	298.342	3.122	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[nH]c(=O)ncc1C(C)=O	ZINC001226237582	817306292	/nfs/dbraw/zinc/30/62/92/817306292.db2.gz	KNJXEOPTSYRGTI-SCDSUCTJSA-N	-1	0	290.363	3.145	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)ncc2C(C)=O)C1	ZINC001226239112	817307737	/nfs/dbraw/zinc/30/77/37/817307737.db2.gz	GDFFPHAQSAXEDT-JSGCOSHPSA-N	-1	0	288.347	3.065	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226406941	817349974	/nfs/dbraw/zinc/34/99/74/817349974.db2.gz	HVVYADMNIFJJPE-QMMMGPOBSA-N	-1	0	296.367	3.340	20	30		CGEDRM
C=CCC[C@H](CC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111072	817561194	/nfs/dbraw/zinc/56/11/94/817561194.db2.gz	DLLVVELSZLZZHC-VIFPVBQESA-N	-1	0	256.733	3.268	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1cc(C)cc(C(=O)[O-])c1	ZINC001243180979	823276682	/nfs/dbraw/zinc/27/66/82/823276682.db2.gz	SEKLPKOQVPEOQI-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1nc(=O)[n-]c2c1COC2	ZINC001227686343	817693221	/nfs/dbraw/zinc/69/32/21/817693221.db2.gz	MSWQPYZWDFTYGS-LLVKDONJSA-N	-1	0	278.352	3.116	20	30		CGEDRM
Cc1ccc(-c2[nH]ccc3ncc(C#N)c2-3)cc1C(=O)[O-]	ZINC001243193371	823283477	/nfs/dbraw/zinc/28/34/77/823283477.db2.gz	CEWBXFKFSHYSQL-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)nc2cc(Cl)ccc21)[C@H](C)S	ZINC001227988726	817775083	/nfs/dbraw/zinc/77/50/83/817775083.db2.gz	FPPYJZKFCGGHCB-RQJHMYQMSA-N	-1	0	284.768	3.074	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(C(=O)[O-])cc1C	ZINC001243205250	823290193	/nfs/dbraw/zinc/29/01/93/823290193.db2.gz	NGACTSGYUOHXOH-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])cc2C)c1	ZINC001243204972	823290294	/nfs/dbraw/zinc/29/02/94/823290294.db2.gz	CFOGWHRLDSPTGS-UHFFFAOYSA-N	-1	0	251.285	3.127	20	30		CGEDRM
COc1cccc(-c2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001243215597	823296244	/nfs/dbraw/zinc/29/62/44/823296244.db2.gz	SWNZGLBTDLMULW-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
C=CC[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C	ZINC001231227859	818062150	/nfs/dbraw/zinc/06/21/50/818062150.db2.gz	OAZWLIGXCPVWMW-GFCCVEGCSA-N	-1	0	296.279	3.188	20	30		CGEDRM
CCCCN(CCC#N)Cc1cc(C(=O)[O-])ccc1F	ZINC001231458097	818102757	/nfs/dbraw/zinc/10/27/57/818102757.db2.gz	REDIOUXEHRLQLK-UHFFFAOYSA-N	-1	0	278.327	3.040	20	30		CGEDRM
N#Cc1ncc(-c2cc(Cl)cc(C(=O)[O-])c2)cc1F	ZINC001243325949	823348723	/nfs/dbraw/zinc/34/87/23/823348723.db2.gz	VJNAXOSZHQZTMT-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2[C@H](C)CCC[C@@H]2C)c1C#N	ZINC001233919319	818730083	/nfs/dbraw/zinc/73/00/83/818730083.db2.gz	GMJPXZYEOHHESM-MSRIBSCDSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234512370	818870116	/nfs/dbraw/zinc/87/01/16/818870116.db2.gz	CNVNOYINCMWOHO-LBPRGKRZSA-N	-1	0	283.331	3.331	20	30		CGEDRM
CC(C)C[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511376	818870716	/nfs/dbraw/zinc/87/07/16/818870716.db2.gz	OFJNJPXCKWCCCI-JTQLQIEISA-N	-1	0	271.320	3.020	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC001236064581	819297281	/nfs/dbraw/zinc/29/72/81/819297281.db2.gz	QXYHKTHINHXJRC-MHWRWJLKSA-N	-1	0	255.273	3.250	20	30		CGEDRM
Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)c(C#N)n1	ZINC001236159358	819349866	/nfs/dbraw/zinc/34/98/66/819349866.db2.gz	UIZHPURLPNYFIR-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#CC1(c2ccc(-c3cc(F)cc(F)c3[O-])nc2)CC1	ZINC001243500022	823420726	/nfs/dbraw/zinc/42/07/26/823420726.db2.gz	KFYMWABNDDXTKF-UHFFFAOYSA-N	-1	0	272.254	3.288	20	30		CGEDRM
N#CCc1cc(-c2cc(F)cc(F)c2[O-])ccc1C#N	ZINC001243502235	823421351	/nfs/dbraw/zinc/42/13/51/823421351.db2.gz	IMFFXKVHTFQPTD-UHFFFAOYSA-N	-1	0	270.238	3.275	20	30		CGEDRM
C=CC[NH+](CC=C)Cc1cc(F)cc(Cl)c1[O-]	ZINC001237798526	819845113	/nfs/dbraw/zinc/84/51/13/819845113.db2.gz	HVXNNEKEDVQCNT-UHFFFAOYSA-N	-1	0	255.720	3.359	20	30		CGEDRM
C#C[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238149261	819943323	/nfs/dbraw/zinc/94/33/23/819943323.db2.gz	IRLOHWDSBUMYLY-SNVBAGLBSA-N	-1	0	267.731	3.030	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cc(F)c(C(=O)[O-])c(F)c3)c12	ZINC001239352578	820285895	/nfs/dbraw/zinc/28/58/95/820285895.db2.gz	FKJWVIGPUCMAQL-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
O=C([O-])c1c(F)cc(-c2ccccc2C=NO)cc1F	ZINC001239365777	820289650	/nfs/dbraw/zinc/28/96/50/820289650.db2.gz	XNOFZURGOUDQPF-UHFFFAOYSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(/C=N/[O-])ccc2F)cc1F	ZINC001239931005	820710481	/nfs/dbraw/zinc/71/04/81/820710481.db2.gz	LBOFCYZINCAZIO-FBCYGCLPSA-N	-1	0	276.217	3.451	20	30		CGEDRM
Cc1nn(C)cc1-c1cc(/C=N/O)cc(C(F)(F)F)c1	ZINC001240302597	820946108	/nfs/dbraw/zinc/94/61/08/820946108.db2.gz	DCZFQJQRBJUSOF-UBKPWBPPSA-N	-1	0	283.253	3.222	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(/C=C/C(=O)[O-])c3)nc2)CC1	ZINC001240547130	821132742	/nfs/dbraw/zinc/13/27/42/821132742.db2.gz	PMQBPQALLSASEU-QPJJXVBHSA-N	-1	0	290.322	3.402	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240545350	821133232	/nfs/dbraw/zinc/13/32/32/821133232.db2.gz	ABJHVAJYZJAFHY-SOFGYWHQSA-N	-1	0	264.284	3.027	20	30		CGEDRM
COc1cc(-c2ccc(CC#N)cc2)ccc1C(=O)[O-]	ZINC001240742730	821294552	/nfs/dbraw/zinc/29/45/52/821294552.db2.gz	DFQMHUMWBVLIIF-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])c(OC)c1	ZINC001240743274	821294565	/nfs/dbraw/zinc/29/45/65/821294565.db2.gz	PZXPMSQEXMBQGU-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])s2)c(C#N)c(C)c1C	ZINC001240845723	821366705	/nfs/dbraw/zinc/36/67/05/821366705.db2.gz	GUFRVRSJVGOIOV-UHFFFAOYSA-N	-1	0	272.329	3.305	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])s2)cc(F)c1C#N	ZINC001240849732	821370042	/nfs/dbraw/zinc/37/00/42/821370042.db2.gz	WYAWLJYQKNKTCN-UHFFFAOYSA-N	-1	0	277.276	3.133	20	30		CGEDRM
N#CCc1ccc(-c2ccc(CC(=O)[O-])cc2)c(F)c1	ZINC001240973747	821458031	/nfs/dbraw/zinc/45/80/31/821458031.db2.gz	MTAAAMKXTYMYPP-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
C=C(C)c1ccc(-c2ccc(CC(=O)[O-])cc2)nc1	ZINC001240974363	821458636	/nfs/dbraw/zinc/45/86/36/821458636.db2.gz	LKLLZLWPSMWWIP-UHFFFAOYSA-N	-1	0	253.301	3.409	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccccc1[O-]	ZINC001241002317	821481186	/nfs/dbraw/zinc/48/11/86/821481186.db2.gz	ZLWNXGNGBQBLFN-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
Cc1cc(-c2c(F)cc([O-])cc2F)nc(C)c1C#N	ZINC001241118352	821573544	/nfs/dbraw/zinc/57/35/44/821573544.db2.gz	CWBWQQGALKMJHE-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241186915	821624073	/nfs/dbraw/zinc/62/40/73/821624073.db2.gz	WUKUBRYCIYSREY-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241187648	821625475	/nfs/dbraw/zinc/62/54/75/821625475.db2.gz	SVTJDJXTFPCHAF-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001241348844	821752282	/nfs/dbraw/zinc/75/22/82/821752282.db2.gz	FAZZMWQCFJJJKJ-UHFFFAOYSA-N	-1	0	282.686	3.449	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3cccc(C(=O)[O-])c3)c2c1	ZINC001241357524	821758695	/nfs/dbraw/zinc/75/86/95/821758695.db2.gz	VKVZELXMISAMBU-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1ccc(-c2nc(C(C)C)ccc2C#N)cc1C(=O)[O-]	ZINC001241856190	822180768	/nfs/dbraw/zinc/18/07/68/822180768.db2.gz	OVZIPEBNDIJHKB-UHFFFAOYSA-N	-1	0	296.326	3.450	20	30		CGEDRM
COc1ccc(-c2cc(/C=N/O)ccc2F)cc1C(=O)[O-]	ZINC001241874791	822190864	/nfs/dbraw/zinc/19/08/64/822190864.db2.gz	MGWQOYVWYHDOEA-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
COc1ccc(C#N)c(-c2ccc([O-])c(C(F)(F)F)c2)n1	ZINC001242167973	822900908	/nfs/dbraw/zinc/90/09/08/822900908.db2.gz	FZUIRRWOSRXLCC-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
Cc1ccc(-c2cc(C(=O)[O-])cc(F)c2C)nc1C#N	ZINC001242205923	822909850	/nfs/dbraw/zinc/90/98/50/822909850.db2.gz	XLIJWFMOQXUDCE-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1ccc(-c2cccc(CC(=O)[O-])c2)c2cc[nH]c21	ZINC001242264173	822930200	/nfs/dbraw/zinc/93/02/00/822930200.db2.gz	FTXKYURGKUETDD-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(CC#N)c1F	ZINC001242390287	822978658	/nfs/dbraw/zinc/97/86/58/822978658.db2.gz	FAQYEQOSGUOCIS-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C(C)(C)C#N)nc1	ZINC001242391471	822979131	/nfs/dbraw/zinc/97/91/31/822979131.db2.gz	SBXFGOCDTIXLLY-UHFFFAOYSA-N	-1	0	296.326	3.257	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(C)c1	ZINC001242391377	822979205	/nfs/dbraw/zinc/97/92/05/822979205.db2.gz	NFWSCRWMDJVVQX-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
N#Cc1cc(-c2ncc3c(c2C#N)CCCC3)ccc1[O-]	ZINC001242563202	823033575	/nfs/dbraw/zinc/03/35/75/823033575.db2.gz	BGBGLPWBNNNCHA-UHFFFAOYSA-N	-1	0	275.311	3.076	20	30		CGEDRM
N#Cc1cc(-c2cc(C#N)c(C(F)(F)F)cn2)ccc1[O-]	ZINC001242564378	823034150	/nfs/dbraw/zinc/03/41/50/823034150.db2.gz	XBCNMBRBUFRDTI-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1nc(C2CC2)cs1	ZINC001343499769	936504316	/nfs/dbraw/zinc/50/43/16/936504316.db2.gz	FYWXIEFLPFOJDE-JTQLQIEISA-N	-1	0	299.355	3.376	20	30		CGEDRM
C=C(C)CCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl	ZINC001344529435	936537368	/nfs/dbraw/zinc/53/73/68/936537368.db2.gz	BCWYVIUMNOGTGJ-CYBMUJFWSA-N	-1	0	295.766	3.328	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001344552273	936538372	/nfs/dbraw/zinc/53/83/72/936538372.db2.gz	ZQNUKXGUTSYKGU-OAHLLOKOSA-N	-1	0	287.359	3.264	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C	ZINC001345806629	936825516	/nfs/dbraw/zinc/82/55/16/936825516.db2.gz	NDQORCLULCPRKT-JLNYLFASSA-N	-1	0	293.407	3.101	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2cc(Cl)ccc21	ZINC001228899920	932047890	/nfs/dbraw/zinc/04/78/90/932047890.db2.gz	BEOOVRURWJILJJ-ZDUSSCGKSA-N	-1	0	286.718	3.379	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCCc2ccccc21	ZINC001228898831	932048134	/nfs/dbraw/zinc/04/81/34/932048134.db2.gz	MPWORZNSEWPTER-AWEZNQCLSA-N	-1	0	266.300	3.115	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)ccc1C#N	ZINC001228900067	932048323	/nfs/dbraw/zinc/04/83/23/932048323.db2.gz	BWXBOURMPVOYRK-XBFCOCLRSA-N	-1	0	272.348	3.419	20	30		CGEDRM
C=C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC001466629075	937710905	/nfs/dbraw/zinc/71/09/05/937710905.db2.gz	PTYTYGPKWPUMSJ-ZDUSSCGKSA-N	-1	0	298.298	3.209	20	30		CGEDRM
CC1CCC(C)(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC001336601704	936201017	/nfs/dbraw/zinc/20/10/17/936201017.db2.gz	SYJHJSLIQPCIGJ-UHFFFAOYSA-N	-1	0	272.348	3.185	20	30		CGEDRM
CN(C(=O)c1ccc(Cl)c([O-])c1)c1cccc(C#N)c1	ZINC001543722005	938141211	/nfs/dbraw/zinc/14/12/11/938141211.db2.gz	WKJPCDDAZNGJAF-UHFFFAOYSA-N	-1	0	286.718	3.194	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001602719271	971383800	/nfs/dbraw/zinc/38/38/00/971383800.db2.gz	ZZPPDBNARBLMOP-UHFFFAOYSA-N	-1	0	285.702	3.472	20	30		CGEDRM
N#Cc1ccc(Cl)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000128908827	949277077	/nfs/dbraw/zinc/27/70/77/949277077.db2.gz	WBWDBUVGWFFTCH-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
Cc1cc(C)c(C#N)c(SCCC2(C(=O)[O-])CCC2)n1	ZINC001594293817	957847008	/nfs/dbraw/zinc/84/70/08/957847008.db2.gz	SUHHUDSTBMZREK-UHFFFAOYSA-N	-1	0	290.388	3.307	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1cccc(Cl)c1C(=O)[O-]	ZINC000135309798	958886266	/nfs/dbraw/zinc/88/62/66/958886266.db2.gz	NMQBQKIAATWYDC-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
Cc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000198932185	959632228	/nfs/dbraw/zinc/63/22/28/959632228.db2.gz	HYOAPBYBPFLBRA-WDZFZDKYSA-N	-1	0	296.322	3.355	20	30		CGEDRM
C=C[C@H](C)ON=C1CCC[C@H](CCCC(=O)[O-])C1	ZINC001602812899	960549306	/nfs/dbraw/zinc/54/93/06/960549306.db2.gz	OSAJMQIWYJSBLA-NWDGAFQWSA-N	-1	0	253.342	3.379	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001573328621	962239501	/nfs/dbraw/zinc/23/95/01/962239501.db2.gz	KUNLUDJCPIEWQW-CYBMUJFWSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C(C)CN1C[C@@H](CCC(=O)[O-])Cc2ccccc21	ZINC001573329899	962253539	/nfs/dbraw/zinc/25/35/39/962253539.db2.gz	OXEMHVFGZKWLHL-ZDUSSCGKSA-N	-1	0	259.349	3.106	20	30		CGEDRM
N#Cc1cccc(Cl)c1SCCCC(=O)[O-]	ZINC001574489767	962314707	/nfs/dbraw/zinc/31/47/07/962314707.db2.gz	ONPVPMISMUYSQP-UHFFFAOYSA-N	-1	0	255.726	3.169	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001588384008	962756894	/nfs/dbraw/zinc/75/68/94/962756894.db2.gz	RWKZOTXEOLONDZ-UHFFFAOYSA-N	-1	0	287.359	3.037	20	30		CGEDRM
C=C(CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21	ZINC001573326427	962803585	/nfs/dbraw/zinc/80/35/85/962803585.db2.gz	VWWBDXUHNHGLLT-SOUVJXGZSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC001588672757	963046095	/nfs/dbraw/zinc/04/60/95/963046095.db2.gz	XMBIHNRWTIQTID-UHFFFAOYSA-N	-1	0	293.388	3.404	20	30		CGEDRM
Cc1cc(C#N)cc(NCc2cccc(C(=O)[O-])c2)c1	ZINC000308089475	963257412	/nfs/dbraw/zinc/25/74/12/963257412.db2.gz	JNZIEESSHSVXGA-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C=C(C)c1cccc(Nc2cccc(-c3nn[nH]n3)n2)c1	ZINC001588443252	963266161	/nfs/dbraw/zinc/26/61/61/963266161.db2.gz	WUCAUMYJSSIROI-UHFFFAOYSA-N	-1	0	278.319	3.038	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588451261	963267193	/nfs/dbraw/zinc/26/71/93/963267193.db2.gz	QVORMNOGMGSSON-CKEIUWERSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C#C[C@H](N[C@@H](C(=O)[O-])c1ccccc1C)c1ccc(F)cc1	ZINC001588378094	963269028	/nfs/dbraw/zinc/26/90/28/963269028.db2.gz	URKHVNKEZSSHJJ-DLBZAZTESA-N	-1	0	297.329	3.224	20	30		CGEDRM
C#C[C@](C)(CC)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC001588367124	963272353	/nfs/dbraw/zinc/27/23/53/963272353.db2.gz	JHWYLJQWHVKPBP-TZMCWYRMSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C#CCN(Cc1cc(C(=O)[O-])c(CC)o1)Cc1ccccc1	ZINC001588469953	963275782	/nfs/dbraw/zinc/27/57/82/963275782.db2.gz	VXFJLJIKNIKZNZ-UHFFFAOYSA-N	-1	0	297.354	3.176	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588460507	963276295	/nfs/dbraw/zinc/27/62/95/963276295.db2.gz	MDOLHIWYFPJRHW-UHFFFAOYSA-N	-1	0	296.326	3.151	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)O[C@H](CC(C)(C)C)C(=O)[O-]	ZINC001588536158	963276601	/nfs/dbraw/zinc/27/66/01/963276601.db2.gz	PTJGNORGFNVKGS-GHMZBOCLSA-N	-1	0	256.342	3.021	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCC[C@@H]1CCOC1	ZINC001588577034	963288458	/nfs/dbraw/zinc/28/84/58/963288458.db2.gz	LBRSHXSZIGGQLF-ZDUSSCGKSA-N	-1	0	290.359	3.309	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1SC	ZINC001588630373	963290044	/nfs/dbraw/zinc/29/00/44/963290044.db2.gz	JQDRQFTWGNEMMA-NSHDSACASA-N	-1	0	293.388	3.007	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(C)(C)[C@H]1c1ccccc1	ZINC001588612003	963291856	/nfs/dbraw/zinc/29/18/56/963291856.db2.gz	FDMWNOXWYPHQQV-OAHLLOKOSA-N	-1	0	287.359	3.017	20	30		CGEDRM
C=C(CC)C(=O)NCc1c2ccccc2sc1C(=O)[O-]	ZINC001588605957	963291933	/nfs/dbraw/zinc/29/19/33/963291933.db2.gz	RLIZKIFSVDYHLI-UHFFFAOYSA-N	-1	0	289.356	3.182	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C	ZINC001588624689	963292097	/nfs/dbraw/zinc/29/20/97/963292097.db2.gz	SIORCBXGGIUYKS-SNPRPXQTSA-N	-1	0	295.423	3.232	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(C)(CC(C)C)CC1	ZINC001588613827	963294017	/nfs/dbraw/zinc/29/40/17/963294017.db2.gz	FKNRVWCDHKWDFE-UHFFFAOYSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=C1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CC1	ZINC001588650017	963300266	/nfs/dbraw/zinc/30/02/66/963300266.db2.gz	SITJMBATHIQNLP-UHFFFAOYSA-N	-1	0	292.310	3.016	20	30		CGEDRM
C=C[C@@H](Sc1nnc(-c2cc(C)cc(C)c2)o1)C(=O)[O-]	ZINC001588714544	963303771	/nfs/dbraw/zinc/30/37/71/963303771.db2.gz	JDASJUSZORIOOB-LLVKDONJSA-N	-1	0	290.344	3.085	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1c(CC)cccc1C(=O)[O-]	ZINC001588691010	963306506	/nfs/dbraw/zinc/30/65/06/963306506.db2.gz	OXNKEXCRLPCKDI-LLVKDONJSA-N	-1	0	275.348	3.488	20	30		CGEDRM
C=CC[C@H](CC)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588735706	963310244	/nfs/dbraw/zinc/31/02/44/963310244.db2.gz	IFCGCHUNKSUVBR-UPZNUWHASA-N	-1	0	290.319	3.459	20	30		CGEDRM
C=CC[C@H](C(=O)OC1CC(CC(=O)[O-])C1)c1ccccc1	ZINC001588731880	963311135	/nfs/dbraw/zinc/31/11/35/963311135.db2.gz	PMYUSIHFAJVWLA-ZALBZXLWSA-N	-1	0	288.343	3.143	20	30		CGEDRM
C=CC[C@@H](CC)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588735707	963313057	/nfs/dbraw/zinc/31/30/57/963313057.db2.gz	IFCGCHUNKSUVBR-YPUOHESYSA-N	-1	0	290.319	3.459	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC001588786161	963316610	/nfs/dbraw/zinc/31/66/10/963316610.db2.gz	NBMRZLNDTPCCMQ-XQQFMLRXSA-N	-1	0	283.412	3.230	20	30		CGEDRM
C=CCC1(C(=O)Oc2ccc(C(=O)[O-])cc2)CCCC1	ZINC001588767223	963316782	/nfs/dbraw/zinc/31/67/82/963316782.db2.gz	PLJFXZWPIYMATK-UHFFFAOYSA-N	-1	0	274.316	3.427	20	30		CGEDRM
C=CCC[C@@H](C(=O)O[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001588776890	963317485	/nfs/dbraw/zinc/31/74/85/963317485.db2.gz	MBJGGOFRZULQHO-ZIAGYGMSSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C=CCCc1ccccc1NCc1c[nH]c(C(=O)[O-])c1	ZINC001588817234	963323454	/nfs/dbraw/zinc/32/34/54/963323454.db2.gz	GHBWNPROSRABQC-UHFFFAOYSA-N	-1	0	270.332	3.444	20	30		CGEDRM
CC(C)C[C@H](Nc1ncc(C#N)c2ccsc21)C(=O)[O-]	ZINC001588905574	963325805	/nfs/dbraw/zinc/32/58/05/963325805.db2.gz	LZBLMOXPCUGTSN-NSHDSACASA-N	-1	0	289.360	3.079	20	30		CGEDRM
C/C(=C\CON=C(c1ccccc1)C(F)(F)F)C(=O)[O-]	ZINC001588990990	963340122	/nfs/dbraw/zinc/34/01/22/963340122.db2.gz	NDSLGOTWQQWFES-OGJPWSMTSA-N	-1	0	287.237	3.001	20	30		CGEDRM
CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(O)cc1	ZINC001589016480	963344503	/nfs/dbraw/zinc/34/45/03/963344503.db2.gz	OAZAXIWYLLFRBU-UHFFFAOYSA-N	-1	0	284.315	3.235	20	30		CGEDRM
C[C@@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)[O-]	ZINC001589135689	963352437	/nfs/dbraw/zinc/35/24/37/963352437.db2.gz	CIGBFCYXKGQOJS-LLVKDONJSA-N	-1	0	282.299	3.236	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC000313301424	963636202	/nfs/dbraw/zinc/63/62/02/963636202.db2.gz	IOHSNQABOLQVKG-UHFFFAOYSA-N	-1	0	298.289	3.093	20	30		CGEDRM
CC(C)(C#N)c1ccccc1COc1cc[nH]c1C(=O)[O-]	ZINC001589560696	964000571	/nfs/dbraw/zinc/00/05/71/964000571.db2.gz	MWCROBZGLCELKI-UHFFFAOYSA-N	-1	0	284.315	3.093	20	30		CGEDRM
CCCCCCCNC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001589645263	964013422	/nfs/dbraw/zinc/01/34/22/964013422.db2.gz	SLQWNDXWJZHRGZ-UHFFFAOYSA-N	-1	0	292.379	3.406	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C(C)C	ZINC000396352588	972861909	/nfs/dbraw/zinc/86/19/09/972861909.db2.gz	DBIOXVGCJKEZEJ-LBPRGKRZSA-N	-1	0	290.363	3.303	20	30		CGEDRM
C=C1CCN(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC1	ZINC000396449345	972892134	/nfs/dbraw/zinc/89/21/34/972892134.db2.gz	QXKTUUCCYUWQOM-GFCCVEGCSA-N	-1	0	288.347	3.059	20	30		CGEDRM
C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(CC#N)cc1	ZINC001592446521	978125400	/nfs/dbraw/zinc/12/54/00/978125400.db2.gz	YZPVXOZWINAOCV-GFCCVEGCSA-N	-1	0	274.364	3.444	20	30		CGEDRM
CC[C@@H](c1ccc(Cl)cc1)N(CC#N)CCC(=O)[O-]	ZINC001595360518	980752640	/nfs/dbraw/zinc/75/26/40/980752640.db2.gz	XQLUTLHYOWZXRY-ZDUSSCGKSA-N	-1	0	280.755	3.091	20	30		CGEDRM
CCCn1cccc1C=NNc1ccc(C(=O)[O-])c(F)c1	ZINC001596116054	983446723	/nfs/dbraw/zinc/44/67/23/983446723.db2.gz	RPKGDSWXDFICFP-UHFFFAOYSA-N	-1	0	289.310	3.181	20	30		CGEDRM
CSc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1	ZINC001599819670	988490139	/nfs/dbraw/zinc/49/01/39/988490139.db2.gz	BTPSCDSMYFSLSJ-UHFFFAOYSA-N	-1	0	285.328	3.117	20	30		CGEDRM
CC(C)(CCN=Nc1ccccc1Cl)C(=O)[O-]	ZINC001590654874	990349551	/nfs/dbraw/zinc/34/95/51/990349551.db2.gz	WQZZQXQLTRQXAF-UHFFFAOYSA-N	-1	0	254.717	3.239	20	30		CGEDRM
CC(C)[C@H](C)S[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590975440	991117597	/nfs/dbraw/zinc/11/75/97/991117597.db2.gz	DDJFDMNJKRBCCQ-GWCFXTLKSA-N	-1	0	263.362	3.462	20	30		CGEDRM
CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001591088790	991625148	/nfs/dbraw/zinc/62/51/48/991625148.db2.gz	LTPBBCJZRCGQTI-VXGBXAGGSA-N	-1	0	287.363	3.278	20	30		CGEDRM
CN(Cc1ccc(C(=O)[O-])cc1)[C@H](C#N)c1ccccc1	ZINC001598513256	992586478	/nfs/dbraw/zinc/58/64/78/992586478.db2.gz	QWQYXKMRMREAMW-MRXNPFEDSA-N	-1	0	280.327	3.081	20	30		CGEDRM
COc1ccc2c(c1)CC/C(=C\c1ccc(C(=O)[O-])o1)C2=O	ZINC001599625886	994147741	/nfs/dbraw/zinc/14/77/41/994147741.db2.gz	FBVRNFAYXOYPKM-PKNBQFBNSA-N	-1	0	298.294	3.199	20	30		CGEDRM
CC1(C#N)CCC(Nc2cccc(C(=O)[O-])c2)CC1	ZINC001593739875	996354717	/nfs/dbraw/zinc/35/47/17/996354717.db2.gz	MBUQJOKMVAZEAN-UHFFFAOYSA-N	-1	0	258.321	3.269	20	30		CGEDRM
C[C@@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC001593743157	996366122	/nfs/dbraw/zinc/36/61/22/996366122.db2.gz	PPFAWAVWJWAXNP-HNNXBMFYSA-N	-1	0	292.766	3.164	20	30		CGEDRM
CC1(C)CCC1N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001593883466	996715959	/nfs/dbraw/zinc/71/59/59/996715959.db2.gz	HJJBJDCNVCCUNA-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@H]1c2ccccc2C(=O)/C1=C\c1ccc(C(=O)[O-])o1	ZINC001594120297	998267562	/nfs/dbraw/zinc/26/75/62/998267562.db2.gz	DFPVRFRCCHGUTR-LMRAXHDRSA-N	-1	0	268.268	3.361	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1	ZINC000076756655	260166377	/nfs/dbraw/zinc/16/63/77/260166377.db2.gz	BTINJFVOCIRGMA-ZJUUUORDSA-N	-1	0	287.406	3.220	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1	ZINC000049632987	345074394	/nfs/dbraw/zinc/07/43/94/345074394.db2.gz	GUVBCYBKUZIVIL-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080458831	345675288	/nfs/dbraw/zinc/67/52/88/345675288.db2.gz	TVYHBIMMMFSFQN-VIFPVBQESA-N	-1	0	289.360	3.307	20	30		CGEDRM
CCCC[C@H](Sc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000600676459	347828305	/nfs/dbraw/zinc/82/83/05/347828305.db2.gz	XFAJXBIKFPYMBT-JTQLQIEISA-N	-1	0	284.768	3.342	20	30		CGEDRM
Cc1[n-]n(-c2c(C)cccc2Cl)c(=O)c1CCC#N	ZINC000601943463	347927837	/nfs/dbraw/zinc/92/78/37/347927837.db2.gz	QHZWGSLZCRTRLM-LLVKDONJSA-N	-1	0	275.739	3.291	20	30		CGEDRM
C[C@H](CCNC(=O)c1cc(O)cc(C#N)c1)CC(C)(C)C	ZINC000615491068	348744665	/nfs/dbraw/zinc/74/46/65/348744665.db2.gz	PCDHLFYDEVEXIJ-GFCCVEGCSA-N	-1	0	288.391	3.456	20	30		CGEDRM
C=CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000630290551	350821011	/nfs/dbraw/zinc/82/10/11/350821011.db2.gz	XKWCMCIYZQZCMS-KGLIPLIRSA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634932523	351605929	/nfs/dbraw/zinc/60/59/29/351605929.db2.gz	BDWUCRYHZHBEKM-CQSZACIVSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCN(C(=O)CC1(CC(=O)[O-])CCC1)c1ccccc1	ZINC000634939255	351606501	/nfs/dbraw/zinc/60/65/01/351606501.db2.gz	FFUYZRXFLGPKBU-UHFFFAOYSA-N	-1	0	287.359	3.241	20	30		CGEDRM
CC[C@@H](C)CONC(=O)Nc1ccc(C#N)cc1Cl	ZINC000292547327	198327658	/nfs/dbraw/zinc/32/76/58/198327658.db2.gz	AQZPCAYANUKGDZ-SECBINFHSA-N	-1	0	281.743	3.311	20	30		CGEDRM
N#Cc1ccc2c(c1)N(C(=O)c1cc(Cl)ccc1[O-])CC2	ZINC000336371189	213225060	/nfs/dbraw/zinc/22/50/60/213225060.db2.gz	BDLQXSYTZPQLAQ-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
C[C@@H](C(=O)Nc1cccc(O)c1F)c1cccc(C#N)c1	ZINC000336310033	213152734	/nfs/dbraw/zinc/15/27/34/213152734.db2.gz	NIBGCBXDFZUANO-SNVBAGLBSA-N	-1	0	284.290	3.145	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1cc(C(F)(F)F)ccn1	ZINC000429585102	372375164	/nfs/dbraw/zinc/37/51/64/372375164.db2.gz	IFKJFCHCWLBYTJ-QMMMGPOBSA-N	-1	0	297.261	3.047	20	30		CGEDRM
CCCc1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000429671082	372375722	/nfs/dbraw/zinc/37/57/22/372375722.db2.gz	ZDVKZDUOFAUYMS-JTQLQIEISA-N	-1	0	289.360	3.191	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000430519493	372390791	/nfs/dbraw/zinc/39/07/91/372390791.db2.gz	KHIDLOKMNZOIDY-SNVBAGLBSA-N	-1	0	260.318	3.097	20	30		CGEDRM
CCS[C@@H]1CCC[C@H](/N=C/c2ccc(O)c(O)c2O)C1	ZINC000176413849	373593717	/nfs/dbraw/zinc/59/37/17/373593717.db2.gz	HHVXMZXHDLHWQU-JOUPJPQCSA-N	-1	0	295.404	3.287	20	30		CGEDRM
CCC(CC)(CNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000317218187	374338491	/nfs/dbraw/zinc/33/84/91/374338491.db2.gz	XTMRVCVLUMMJLI-UHFFFAOYSA-N	-1	0	297.358	3.409	20	30		CGEDRM
O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1CC12CCCC2	ZINC000329090056	374399979	/nfs/dbraw/zinc/39/99/79/374399979.db2.gz	IVOWJFUIVJIWRI-GFCCVEGCSA-N	-1	0	298.346	3.346	20	30		CGEDRM
Cc1nc(C(C)(C)NC(=O)c2csc(=O)[nH]2)sc1C	ZINC000329956817	374444991	/nfs/dbraw/zinc/44/49/91/374444991.db2.gz	PUEMWJZDVFIVIR-UHFFFAOYSA-N	-1	0	297.405	3.162	20	30		CGEDRM
N#C[C@]1(C(=O)Nc2ccc(F)c(F)c2[O-])CC12CCCC2	ZINC000334747052	375025613	/nfs/dbraw/zinc/02/56/13/375025613.db2.gz	KDYJENHETLXLRD-HNNXBMFYSA-N	-1	0	292.285	3.083	20	30		CGEDRM
Cc1cscc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190974183	375556915	/nfs/dbraw/zinc/55/69/15/375556915.db2.gz	GHFZJBMXUMNYNR-LLVKDONJSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)s1	ZINC000230333399	376505119	/nfs/dbraw/zinc/50/51/19/376505119.db2.gz	KGHIGXMPJFWRIX-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])ccc1Cl)C1CC1	ZINC000565102966	377483391	/nfs/dbraw/zinc/48/33/91/377483391.db2.gz	DNLOUUYIGODTTK-UHFFFAOYSA-N	-1	0	265.740	3.189	20	30		CGEDRM
N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1ccccn1	ZINC000342437396	377649316	/nfs/dbraw/zinc/64/93/16/377649316.db2.gz	CPLNARHTWNADPD-SSDOTTSWSA-N	-1	0	297.261	3.047	20	30		CGEDRM
C=CCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1	ZINC000579016643	378122648	/nfs/dbraw/zinc/12/26/48/378122648.db2.gz	XKBZEXUGZILQAP-UHFFFAOYSA-N	-1	0	298.342	3.190	20	30		CGEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274766025	378891012	/nfs/dbraw/zinc/89/10/12/378891012.db2.gz	ZGQVHCHYPIOVLV-QMMMGPOBSA-N	-1	0	287.718	3.104	20	30		CGEDRM
C=C1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1	ZINC000267530665	190336161	/nfs/dbraw/zinc/33/61/61/190336161.db2.gz	VNZQVVYPMXGXCU-UHFFFAOYSA-N	-1	0	286.158	3.491	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000281739593	379844888	/nfs/dbraw/zinc/84/48/88/379844888.db2.gz	OQQRHMBHEYDVMC-VIFPVBQESA-N	-1	0	271.719	3.269	20	30		CGEDRM
C=C(C)CCSc1n[n-]c(=NCC(C)C)s1	ZINC000381398523	379867613	/nfs/dbraw/zinc/86/76/13/379867613.db2.gz	PKWIENQQVHHMHF-UHFFFAOYSA-N	-1	0	257.428	3.086	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)N(C)CCCC(=O)[O-]	ZINC000417800418	380678761	/nfs/dbraw/zinc/67/87/61/380678761.db2.gz	UNDDFKUDXZPWPB-UHFFFAOYSA-N	-1	0	290.363	3.134	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C3CCC3)n2)n1	ZINC000195260148	542280025	/nfs/dbraw/zinc/28/00/25/542280025.db2.gz	ABRZVXGRLFNMHV-SNVBAGLBSA-N	-1	0	287.344	3.197	20	30		CGEDRM
C=CCCC1(C(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)CC1	ZINC000359840011	381373047	/nfs/dbraw/zinc/37/30/47/381373047.db2.gz	HPXCOZKDINZRAP-UHFFFAOYSA-N	-1	0	286.335	3.058	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000192891578	130558839	/nfs/dbraw/zinc/55/88/39/130558839.db2.gz	VEDSTDWLJUZIIO-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2nccs2)n1	ZINC000683690164	543932038	/nfs/dbraw/zinc/93/20/38/543932038.db2.gz	WZROIRDHYOLDTL-MRVPVSSYSA-N	-1	0	277.374	3.213	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C3CC3)s2)n1	ZINC000517955019	260327952	/nfs/dbraw/zinc/32/79/52/260327952.db2.gz	DRVYTRVHSFXVKI-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
CSC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000193256699	262219110	/nfs/dbraw/zinc/21/91/10/262219110.db2.gz	MMTJDDQGFXXTMF-RIYZIHGNSA-N	-1	0	280.349	3.005	20	30		CGEDRM
CCc1oc(C([O-])=C(C#N)c2nc(C)cs2)cc1C	ZINC000161159898	262311681	/nfs/dbraw/zinc/31/16/81/262311681.db2.gz	ZFGUPURTDFDMTI-SNVBAGLBSA-N	-1	0	274.345	3.405	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000160513744	264250488	/nfs/dbraw/zinc/25/04/88/264250488.db2.gz	MBENEZDPUATFPR-UHFFFAOYSA-N	-1	0	271.719	3.223	20	30		CGEDRM
N#CC(=C([O-])c1sccc1C#N)c1nc2ccccc2o1	ZINC000172668226	268303771	/nfs/dbraw/zinc/30/37/71/268303771.db2.gz	MVMNMLISQAHDOK-SNVBAGLBSA-N	-1	0	293.307	3.251	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccsc2Cl)cc1[O-]	ZINC000188841118	327760412	/nfs/dbraw/zinc/76/04/12/327760412.db2.gz	YZXFGYCPBYDCGV-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=CCOc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000194263426	329685616	/nfs/dbraw/zinc/68/56/16/329685616.db2.gz	RKFCENBYOKFETN-UHFFFAOYSA-N	-1	0	297.310	3.202	20	30		CGEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000262928768	330037174	/nfs/dbraw/zinc/03/71/74/330037174.db2.gz	OQHHBLYZDXOALE-UKRRQHHQSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000263026396	330039331	/nfs/dbraw/zinc/03/93/31/330039331.db2.gz	MMOKYMUDJIHNPY-UKRRQHHQSA-N	-1	0	289.375	3.148	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C3CC3)n2)n1	ZINC000194987476	333281138	/nfs/dbraw/zinc/28/11/38/333281138.db2.gz	IGDBQWSHRXRJIP-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000184630024	518244928	/nfs/dbraw/zinc/24/49/28/518244928.db2.gz	NTHNHKMGIQINPA-UHFFFAOYSA-N	-1	0	274.345	3.105	20	30		CGEDRM
CCC1(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CCC1	ZINC000329092465	529015910	/nfs/dbraw/zinc/01/59/10/529015910.db2.gz	JWJOLTLDDGLTED-UHFFFAOYSA-N	-1	0	286.335	3.346	20	30		CGEDRM
CCCCc1n[n-]c(=NCc2ccc(C#N)c(C)c2)s1	ZINC000446966059	529035845	/nfs/dbraw/zinc/03/58/45/529035845.db2.gz	MOFKRQAGROYOOP-UHFFFAOYSA-N	-1	0	286.404	3.095	20	30		CGEDRM
Cc1cccc2c1O/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2=O	ZINC000727974679	571781751	/nfs/dbraw/zinc/78/17/51/571781751.db2.gz	LXCHLIQGGNJIDE-ZSOIEALJSA-N	-1	0	297.266	3.225	20	30		CGEDRM
O=C(/C=C1\COc2ccc(F)cc21)c1ccc([O-])c(F)c1	ZINC000729149647	571879103	/nfs/dbraw/zinc/87/91/03/571879103.db2.gz	FYQTVFRDYULHCU-UXBLZVDNSA-N	-1	0	288.249	3.329	20	30		CGEDRM
Cc1cc(F)ccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000750913215	572335258	/nfs/dbraw/zinc/33/52/58/572335258.db2.gz	XAQNBESDZULPNC-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738490371	572377495	/nfs/dbraw/zinc/37/74/95/572377495.db2.gz	SKGVSZHOWMKDOU-UHFFFAOYSA-N	-1	0	294.738	3.244	20	30		CGEDRM
Cc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)CC2	ZINC000730945220	572386658	/nfs/dbraw/zinc/38/66/58/572386658.db2.gz	BLBPZXROHMKQDF-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
Cc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C	ZINC000738682322	572387321	/nfs/dbraw/zinc/38/73/21/572387321.db2.gz	VWPWXYCSQZOYQI-SOFGYWHQSA-N	-1	0	270.284	3.491	20	30		CGEDRM
N#Cc1ccc(Sc2cccc(F)c2-c2nn[nH]n2)cc1	ZINC000737722333	572410298	/nfs/dbraw/zinc/41/02/98/572410298.db2.gz	HUBUZWPHTIPURI-UHFFFAOYSA-N	-1	0	297.318	3.029	20	30		CGEDRM
CCc1ccccc1N=NC1CCC[C@@H]1CNC(=O)[O-]	ZINC000739550396	572419149	/nfs/dbraw/zinc/41/91/49/572419149.db2.gz	RPGUOVWMXYQNLM-GFCCVEGCSA-N	-1	0	275.352	3.085	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000740310455	572439485	/nfs/dbraw/zinc/43/94/85/572439485.db2.gz	GGXKWWNTZKFDAW-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
N#Cc1c(F)cccc1Oc1cccc(CNC(=O)[O-])c1	ZINC000740311014	572439916	/nfs/dbraw/zinc/43/99/16/572439916.db2.gz	MBTAXRZGPLHTBD-UHFFFAOYSA-N	-1	0	286.262	3.257	20	30		CGEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C[C@@H](C)CCC	ZINC000732906339	572490537	/nfs/dbraw/zinc/49/05/37/572490537.db2.gz	XKOGEAKRDBPGAW-ZDUSSCGKSA-N	-1	0	291.457	3.229	20	30		CGEDRM
CCOc1ccc(O)c(C=Nc2cccc(CC(=O)[O-])c2)c1	ZINC000737887155	572498043	/nfs/dbraw/zinc/49/80/43/572498043.db2.gz	WDUXFCRTCIJHKE-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCc3c(O)cccc3C2=O)cc1	ZINC000742434622	572582674	/nfs/dbraw/zinc/58/26/74/572582674.db2.gz	LEHKPGAKEPHEOM-JLHYYAGUSA-N	-1	0	294.306	3.303	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2c[nH]c3ccc(F)cc23)c1	ZINC000747041615	572906598	/nfs/dbraw/zinc/90/65/98/572906598.db2.gz	YIWWOXUDOSNAMY-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1(C)C	ZINC000748003018	572957431	/nfs/dbraw/zinc/95/74/31/572957431.db2.gz	XOOLNABMJCLQEI-DOMZBBRYSA-N	-1	0	284.359	3.441	20	30		CGEDRM
CC(C)Oc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748410971	572975754	/nfs/dbraw/zinc/97/57/54/572975754.db2.gz	QDBBHICDVLXHPS-UHFFFAOYSA-N	-1	0	296.326	3.303	20	30		CGEDRM
Cc1nc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)oc1C	ZINC000738868157	600937431	/nfs/dbraw/zinc/93/74/31/600937431.db2.gz	AAIWQPQKVJZHKZ-GFCCVEGCSA-N	-1	0	288.328	3.081	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(COC(=O)CCCN(C)C(=O)[O-])CC1	ZINC000825642047	601193464	/nfs/dbraw/zinc/19/34/64/601193464.db2.gz	DXOKBUMFBXKPLU-CQSZACIVSA-N	-1	0	295.379	3.222	20	30		CGEDRM
O=C([O-])C1(C/N=C/c2cc(Cl)ccc2O)CCCC1	ZINC000833173554	601366237	/nfs/dbraw/zinc/36/62/37/601366237.db2.gz	CQGLDVGRFOLOCV-LZYBPNLTSA-N	-1	0	281.739	3.110	20	30		CGEDRM
CC(C)(C#N)CCCNc1cc(F)c(F)cc1C(=O)[O-]	ZINC000826071399	601909568	/nfs/dbraw/zinc/90/95/68/601909568.db2.gz	LIUKKXANSCEWDO-UHFFFAOYSA-N	-1	0	282.290	3.405	20	30		CGEDRM
COc1ccc(C(=O)[O-])c(OCCCC(C)(C)C#N)c1	ZINC000087596452	601932486	/nfs/dbraw/zinc/93/24/86/601932486.db2.gz	LVYJPNPCCJTOBI-UHFFFAOYSA-N	-1	0	277.320	3.102	20	30		CGEDRM
N#Cc1cnc(Oc2ccc(NC(=O)[O-])cc2)c(Cl)c1	ZINC000831156715	603196602	/nfs/dbraw/zinc/19/66/02/603196602.db2.gz	IBNWQMXZAGDQAP-UHFFFAOYSA-N	-1	0	289.678	3.489	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(Nc2ccc(C#N)cn2)cc1	ZINC000825454851	603206816	/nfs/dbraw/zinc/20/68/16/603206816.db2.gz	WWMHCSKVWJKAIO-SNVBAGLBSA-N	-1	0	282.303	3.025	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2c(C)cccc2Cl)c1=O	ZINC000899351653	620659378	/nfs/dbraw/zinc/65/93/78/620659378.db2.gz	QGEKECGTJPUVKS-LLVKDONJSA-N	-1	0	260.724	3.010	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(Cl)c(C)c2)c1=O	ZINC000899357962	620664034	/nfs/dbraw/zinc/66/40/34/620664034.db2.gz	PETWJGHPPLIVCY-GFCCVEGCSA-N	-1	0	260.724	3.010	20	30		CGEDRM
O=C([O-])N1CCc2cccc(/C=C\C(=O)c3cccnc3)c21	ZINC000831291242	603812126	/nfs/dbraw/zinc/81/21/26/603812126.db2.gz	CYQNNOXGHPWFMG-SREVYHEPSA-N	-1	0	294.310	3.018	20	30		CGEDRM
O=C(/C=C\c1cnn(C2CCC2)c1)c1ccccc1[O-]	ZINC000899362032	620669186	/nfs/dbraw/zinc/66/91/86/620669186.db2.gz	HYPBTEASCNFAQM-HJWRWDBZSA-N	-1	0	268.316	3.210	20	30		CGEDRM
N#Cc1cccc(CNc2ccc3c(c2)CCN3C(=O)[O-])c1	ZINC000831146412	604215039	/nfs/dbraw/zinc/21/50/39/604215039.db2.gz	OQEYBFYEFSUEOT-UHFFFAOYSA-N	-1	0	293.326	3.211	20	30		CGEDRM
CC(=O)c1ccccc1NCc1cccc(C(=O)[O-])c1C#N	ZINC000833403319	604538202	/nfs/dbraw/zinc/53/82/02/604538202.db2.gz	FQONABJIWZUISE-UHFFFAOYSA-N	-1	0	294.310	3.071	20	30		CGEDRM
CC(N=Nc1ncccc1Cl)c1ccc(C(=O)[O-])cc1	ZINC000825809261	604639795	/nfs/dbraw/zinc/63/97/95/604639795.db2.gz	QCHJWFSOSBKUBS-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
Cc1ccc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763368550	604668560	/nfs/dbraw/zinc/66/85/60/604668560.db2.gz	PFLIFZLQWOPBCB-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
C=C[C@H](CC(=O)N[C@@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000761649041	604771311	/nfs/dbraw/zinc/77/13/11/604771311.db2.gz	ISSPEXNABMJPEF-DYVFJYSZSA-N	-1	0	289.375	3.106	20	30		CGEDRM
COc1ccc(C#N)cc1CNc1ccc(C)c(C(=O)[O-])c1	ZINC000832152726	604984780	/nfs/dbraw/zinc/98/47/80/604984780.db2.gz	LMUNQPVPGPDGCH-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
C=C(Cl)CN(CC(=O)[O-])[C@@H](CC)c1ccccc1	ZINC000833370768	604989131	/nfs/dbraw/zinc/98/91/31/604989131.db2.gz	SPOFPOZLHBMRGZ-ZDUSSCGKSA-N	-1	0	267.756	3.277	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1nc(CC)c(C(=O)[O-])s1	ZINC000833370629	604995918	/nfs/dbraw/zinc/99/59/18/604995918.db2.gz	MGHOLXCVDALLKD-UHFFFAOYSA-N	-1	0	294.376	3.111	20	30		CGEDRM
CCOc1ccc(O)c(/C=N/CC(CC)(CC)C(=O)[O-])c1	ZINC000833663254	605052255	/nfs/dbraw/zinc/05/22/55/605052255.db2.gz	SWEYNNLSRTWUGA-LICLKQGHSA-N	-1	0	293.363	3.101	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000398106264	605057069	/nfs/dbraw/zinc/05/70/69/605057069.db2.gz	VTOXKRINAWIMBO-JTQLQIEISA-N	-1	0	294.326	3.390	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000783863745	605328634	/nfs/dbraw/zinc/32/86/34/605328634.db2.gz	RMJNZZVUCKEYRW-MNOVXSKESA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(N=Nc1ccnc(F)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814902029	605783350	/nfs/dbraw/zinc/78/33/50/605783350.db2.gz	DRYIJROGYQLHQP-SNVBAGLBSA-N	-1	0	281.331	3.290	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000035176653	617622608	/nfs/dbraw/zinc/62/26/08/617622608.db2.gz	YKIGMBQDQYYDAH-KMKOMSMNSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1CC=CCC1	ZINC000042300748	620740892	/nfs/dbraw/zinc/74/08/92/620740892.db2.gz	QEPJVEPLYLANMG-SNVBAGLBSA-N	-1	0	299.779	3.342	20	30		CGEDRM
O=C(/C=C\c1ccccc1F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255237937	618121412	/nfs/dbraw/zinc/12/14/12/618121412.db2.gz	DBHDQDIWLWLLTQ-ALCCZGGFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
Cc1ccc2ncc(/C=C\C(=O)c3ccc(F)cc3[O-])n2c1	ZINC000255386757	618246244	/nfs/dbraw/zinc/24/62/44/618246244.db2.gz	FLOWWEBFGVTEMG-XQRVVYSFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCCc1cccs1	ZINC000042344524	620794036	/nfs/dbraw/zinc/79/40/36/620794036.db2.gz	ZYNLHWVBSLHVFY-UHFFFAOYSA-N	-1	0	289.422	3.157	20	30		CGEDRM
CCc1ccc(N=Cc2ccc(O)c(O)c2O)cc1	ZINC000255520234	618654100	/nfs/dbraw/zinc/65/41/00/618654100.db2.gz	ZZVSLJBFFYEQHH-UHFFFAOYSA-N	-1	0	257.289	3.116	20	30		CGEDRM
CCc1sc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000176826861	618742121	/nfs/dbraw/zinc/74/21/21/618742121.db2.gz	JCRILNJJVFBQBO-UHFFFAOYSA-N	-1	0	286.356	3.449	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3c(s2)CCCC3)c1	ZINC000176826800	618742379	/nfs/dbraw/zinc/74/23/79/618742379.db2.gz	JODRUGFNVAPGJM-UHFFFAOYSA-N	-1	0	298.367	3.456	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000176844305	618746616	/nfs/dbraw/zinc/74/66/16/618746616.db2.gz	JIYPIYQQIBQUHH-DUXPYHPUSA-N	-1	0	273.288	3.361	20	30		CGEDRM
CC(C)CC(C)(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179731315	618800764	/nfs/dbraw/zinc/80/07/64/618800764.db2.gz	ISDCCOHFUMQQFH-UHFFFAOYSA-N	-1	0	260.337	3.275	20	30		CGEDRM
Cc1cccn2c(/C=C\C(=O)c3cc(F)ccc3[O-])cnc12	ZINC000255883985	618845465	/nfs/dbraw/zinc/84/54/65/618845465.db2.gz	WOLLWOBRLXRWAH-ALCCZGGFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519156	619502866	/nfs/dbraw/zinc/50/28/66/619502866.db2.gz	SITSISUVEOKVJZ-UHFFFAOYSA-N	-1	0	285.340	3.051	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909518588	619810620	/nfs/dbraw/zinc/81/06/20/619810620.db2.gz	BWIIFPUJHOKVLB-YVEFUNNKSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909519763	619812779	/nfs/dbraw/zinc/81/27/79/619812779.db2.gz	LNZYGWNHARFUKH-NSHDSACASA-N	-1	0	275.348	3.101	20	30		CGEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000896504245	620018975	/nfs/dbraw/zinc/01/89/75/620018975.db2.gz	DEXLVYDTKGVJEU-VIFPVBQESA-N	-1	0	285.174	3.435	20	30		CGEDRM
C=C[C@@H]1OCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840709395	620103025	/nfs/dbraw/zinc/10/30/25/620103025.db2.gz	MPTVTKNKGJDRTK-ZHIQDEJDSA-N	-1	0	286.158	3.461	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000179328390	620386247	/nfs/dbraw/zinc/38/62/47/620386247.db2.gz	IYIVDZAEXPTWKS-CFDVYZKQSA-N	-1	0	280.327	3.334	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000899231809	620628852	/nfs/dbraw/zinc/62/88/52/620628852.db2.gz	HHVRITDSCCVEHU-BXVVCTADSA-N	-1	0	298.169	3.294	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCOC23CCCC3)c(F)c1	ZINC000901249305	620846470	/nfs/dbraw/zinc/84/64/70/620846470.db2.gz	WJWHGTQAYAOVQG-UHFFFAOYSA-N	-1	0	292.310	3.025	20	30		CGEDRM
C=CC[C@@H]1CC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000901660371	620969405	/nfs/dbraw/zinc/96/94/05/620969405.db2.gz	BDVMCLCARWDASA-IUODEOHRSA-N	-1	0	259.349	3.470	20	30		CGEDRM
C=CCC[C@@H](C)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000901737218	621009708	/nfs/dbraw/zinc/00/97/08/621009708.db2.gz	BOLQOVFFMBCXHV-LLVKDONJSA-N	-1	0	263.337	3.298	20	30		CGEDRM
C=C(Cl)C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-]	ZINC000901940051	621071449	/nfs/dbraw/zinc/07/14/49/621071449.db2.gz	YNUTXZBPPDTKPQ-FXAINCCUSA-N	-1	0	283.755	3.088	20	30		CGEDRM
C=C(C)COc1cccc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000902219701	621197424	/nfs/dbraw/zinc/19/74/24/621197424.db2.gz	PKOWFUMLYSJMGU-BYCMXARLSA-N	-1	0	275.348	3.163	20	30		CGEDRM
C=CC1(CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CCCCC1	ZINC000907779465	622312785	/nfs/dbraw/zinc/31/27/85/622312785.db2.gz	LCWRIKOXFUZWEP-ZIAGYGMSSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C1CCC(C(=O)N(C)c2cccc(CC(=O)[O-])c2)CC1	ZINC000908084943	622327317	/nfs/dbraw/zinc/32/73/17/622327317.db2.gz	MMKSYDDNQCYVNZ-UHFFFAOYSA-N	-1	0	287.359	3.023	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000909221828	622407802	/nfs/dbraw/zinc/40/78/02/622407802.db2.gz	QBTVQWXHKKITLX-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000909745937	622423855	/nfs/dbraw/zinc/42/38/55/622423855.db2.gz	FUWRZFARMGVFPP-CYBMUJFWSA-N	-1	0	289.375	3.091	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909836041	622429748	/nfs/dbraw/zinc/42/97/48/622429748.db2.gz	ZTMDMVHYYSWYRM-ZBEGNZNMSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C#CCCCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1	ZINC000909845859	622431487	/nfs/dbraw/zinc/43/14/87/622431487.db2.gz	XAVDGYXQJZDWMZ-OAHLLOKOSA-N	-1	0	293.407	3.110	20	30		CGEDRM
N#C[C@@]1(C(=O)Nc2cc(F)cc(F)c2O)CC12CCCC2	ZINC000910985963	622512954	/nfs/dbraw/zinc/51/29/54/622512954.db2.gz	CUCOMEZPIGVLAX-OAHLLOKOSA-N	-1	0	292.285	3.083	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cc(C#N)cs2)c([O-])c1	ZINC000156613213	622830424	/nfs/dbraw/zinc/83/04/24/622830424.db2.gz	ZCAVDLIDXIPLQI-HWKANZROSA-N	-1	0	285.324	3.230	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000156671256	622832566	/nfs/dbraw/zinc/83/25/66/622832566.db2.gz	IATHHNRFWPJUTO-SNAWJCMRSA-N	-1	0	263.293	3.192	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2cc(F)ccc2[O-])c1	ZINC000156676105	622833478	/nfs/dbraw/zinc/83/34/78/622833478.db2.gz	ZROWLUAVSXSYIC-GQCTYLIASA-N	-1	0	267.259	3.299	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000764442920	623904238	/nfs/dbraw/zinc/90/42/38/623904238.db2.gz	SIRFAFVXNFRNGE-PLNGDYQASA-N	-1	0	276.313	3.064	20	30		CGEDRM
CCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000915934013	624080590	/nfs/dbraw/zinc/08/05/90/624080590.db2.gz	SRDVQUPMPSWFRW-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C)ccc1C	ZINC000073837787	626070622	/nfs/dbraw/zinc/07/06/22/626070622.db2.gz	LUNTZGXFMDOCRK-UHFFFAOYSA-N	-1	0	283.393	3.126	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000923059417	626126332	/nfs/dbraw/zinc/12/63/32/626126332.db2.gz	OMHCFKJDVWNLGW-YFHOEESVSA-N	-1	0	286.331	3.053	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923097353	626130909	/nfs/dbraw/zinc/13/09/09/626130909.db2.gz	DFFQNAPSNFCPNG-UHFFFAOYSA-N	-1	0	280.349	3.023	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1	ZINC000753542509	626454641	/nfs/dbraw/zinc/45/46/41/626454641.db2.gz	TXPJPMZPAFXOEZ-NSHDSACASA-N	-1	0	277.283	3.021	20	30		CGEDRM
Cc1csc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)n1	ZINC000755466606	626625147	/nfs/dbraw/zinc/62/51/47/626625147.db2.gz	IIYWREVWQCLAJU-UHFFFAOYSA-N	-1	0	295.751	3.249	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000755592048	626630496	/nfs/dbraw/zinc/63/04/96/626630496.db2.gz	DVOHQRXEUNSXSQ-WAYWQWQTSA-N	-1	0	283.308	3.214	20	30		CGEDRM
CCC(CC)CN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756899018	626739603	/nfs/dbraw/zinc/73/96/03/626739603.db2.gz	LRSUVFOFIWGNDO-UHFFFAOYSA-N	-1	0	264.325	3.227	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCC(C)(C)CCC#N	ZINC000756899087	626739880	/nfs/dbraw/zinc/73/98/80/626739880.db2.gz	PJKLKDVENZQZAC-UHFFFAOYSA-N	-1	0	289.335	3.121	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])cc1C#N	ZINC000757467645	626780726	/nfs/dbraw/zinc/78/07/26/626780726.db2.gz	HPDWDWUWXPMUHA-QPJJXVBHSA-N	-1	0	293.322	3.477	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])s1	ZINC000757476376	626781500	/nfs/dbraw/zinc/78/15/00/626781500.db2.gz	QKYXADFZTMNJRC-ONEGZZNKSA-N	-1	0	291.278	3.500	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000757474692	626782066	/nfs/dbraw/zinc/78/20/66/626782066.db2.gz	DCRXBLWMTNUQEF-RMKNXTFCSA-N	-1	0	272.275	3.436	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc(OCC#N)c2)c([O-])c1	ZINC000757475802	626782234	/nfs/dbraw/zinc/78/22/34/626782234.db2.gz	LKQOBKBVJSBMOT-VURMDHGXSA-N	-1	0	293.322	3.499	20	30		CGEDRM
C#CCNC(=S)[N-]c1cc(Cl)ccc1SCC	ZINC000758230233	626833991	/nfs/dbraw/zinc/83/39/91/626833991.db2.gz	QMBKCPBTCXQTJD-UHFFFAOYSA-N	-1	0	284.837	3.372	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000759088506	626873512	/nfs/dbraw/zinc/87/35/12/626873512.db2.gz	AUNROGGSSZBXDD-GQCTYLIASA-N	-1	0	294.266	3.068	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091337	626874095	/nfs/dbraw/zinc/87/40/95/626874095.db2.gz	QQZBZLMSOSOOHV-SOFGYWHQSA-N	-1	0	299.282	3.205	20	30		CGEDRM
COc1cccc2c1CCC2=NNc1ccc(C(=O)[O-])cc1	ZINC000759646310	626911519	/nfs/dbraw/zinc/91/15/19/626911519.db2.gz	IASWFPGULWCPGC-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
CCCCCCCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000762227503	627102220	/nfs/dbraw/zinc/10/22/20/627102220.db2.gz	GWGWWSYZSWNYDG-CJNGLKHVSA-N	-1	0	283.412	3.497	20	30		CGEDRM
CC(C)Oc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763369974	627154241	/nfs/dbraw/zinc/15/42/41/627154241.db2.gz	KNIOUMWFUPULPL-UHFFFAOYSA-N	-1	0	299.330	3.013	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1ccc(OC)cc1[O-]	ZINC000764442331	627207718	/nfs/dbraw/zinc/20/77/18/627207718.db2.gz	OLWYQSZMPFRQEG-AATRIKPKSA-N	-1	0	290.340	3.367	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NNc1ccc(F)cn1	ZINC000768361224	627475667	/nfs/dbraw/zinc/47/56/67/627475667.db2.gz	DFWCDZUYQWJHFV-UHFFFAOYSA-N	-1	0	283.665	3.165	20	30		CGEDRM
Cn1ccc(/C=C\C(=O)c2ccc3ccccc3c2[O-])n1	ZINC000773154114	627863497	/nfs/dbraw/zinc/86/34/97/627863497.db2.gz	RSMYNKVHEDNOEE-CLFYSBASSA-N	-1	0	278.311	3.175	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccsc2)c1	ZINC000774140049	627950549	/nfs/dbraw/zinc/95/05/49/627950549.db2.gz	RJOUMCVAMMYAEB-SNAWJCMRSA-N	-1	0	258.298	3.342	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776766661	628230530	/nfs/dbraw/zinc/23/05/30/628230530.db2.gz	KTGBSVZJMRRCBR-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
CC(C)(C)C[C@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000778130284	628327931	/nfs/dbraw/zinc/32/79/31/628327931.db2.gz	GQIKQEQDXZFQAN-YFKPBYRVSA-N	-1	0	297.214	3.370	20	30		CGEDRM
C=CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1	ZINC000778746394	628370016	/nfs/dbraw/zinc/37/00/16/628370016.db2.gz	WKGKSOFVKWPNTH-CYBMUJFWSA-N	-1	0	286.287	3.397	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000779357124	628409412	/nfs/dbraw/zinc/40/94/12/628409412.db2.gz	ANGJVOSKNHDJFE-XBXARRHUSA-N	-1	0	282.295	3.295	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cccc(O)c2)c1	ZINC000782199715	628624203	/nfs/dbraw/zinc/62/42/03/628624203.db2.gz	HWUGEOSBFRSZHQ-SNAWJCMRSA-N	-1	0	274.297	3.048	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2ccccc2[O-])s1	ZINC000783710630	628742282	/nfs/dbraw/zinc/74/22/82/628742282.db2.gz	KNXBKDZWVQPOQA-BQYQJAHWSA-N	-1	0	259.330	3.307	20	30		CGEDRM
Cc1ccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1C	ZINC000785535027	628869819	/nfs/dbraw/zinc/86/98/19/628869819.db2.gz	OATBVLSAUSNTDQ-UHFFFAOYSA-N	-1	0	280.327	3.157	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(Cl)cs2)n1	ZINC000789393016	629129176	/nfs/dbraw/zinc/12/91/76/629129176.db2.gz	NSTSHNWLDFWOJL-ZCFIWIBFSA-N	-1	0	283.765	3.052	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-]	ZINC000125537452	634722279	/nfs/dbraw/zinc/72/22/79/634722279.db2.gz	OTTLBQVKLDLKJH-QWHCGFSZSA-N	-1	0	269.385	3.059	20	30		CGEDRM
CC[C@H](NN=C(C)c1cc2cc(Cl)ccc2o1)C(=O)[O-]	ZINC000793056492	629406484	/nfs/dbraw/zinc/40/64/84/629406484.db2.gz	UCKWBUZZWWSXOR-NSHDSACASA-N	-1	0	294.738	3.263	20	30		CGEDRM
C=CCNN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000794999489	629617906	/nfs/dbraw/zinc/61/79/06/629617906.db2.gz	HFFFRLWOZCCEBI-UHFFFAOYSA-N	-1	0	259.136	3.199	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC000864183241	629792563	/nfs/dbraw/zinc/79/25/63/629792563.db2.gz	IOOZVSXNZWACPJ-LBPRGKRZSA-N	-1	0	287.787	3.059	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)CCCCCC(C)C)C(=O)[O-]	ZINC000864185197	629794939	/nfs/dbraw/zinc/79/49/39/629794939.db2.gz	WACBIHSEOVSHOY-GFCCVEGCSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C[C@@H]1[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])[C@@H]1c1ccccc1	ZINC000797748683	629979953	/nfs/dbraw/zinc/97/99/53/629979953.db2.gz	NZTBVUMRMRJSFX-MZPVMMEZSA-N	-1	0	292.338	3.252	20	30		CGEDRM
O=C([O-])[C@H]1C/C(=C\c2cccc(O)c2)C(=O)c2ccccc21	ZINC000806562877	630566881	/nfs/dbraw/zinc/56/68/81/630566881.db2.gz	PXRQTVCZAJBRIB-RCLKMUNOSA-N	-1	0	294.306	3.230	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cc(F)ncc2F)cs1	ZINC000806566437	630567470	/nfs/dbraw/zinc/56/74/70/630567470.db2.gz	GGRRSQWYVHTDTM-OWOJBTEDSA-N	-1	0	295.266	3.016	20	30		CGEDRM
C=CCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812441716	631261498	/nfs/dbraw/zinc/26/14/98/631261498.db2.gz	FSIMNTWGNXMGAE-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
C=CCO[N-]C(=O)C(C)(C)c1cccc(C(F)(F)F)c1	ZINC000837045966	634846970	/nfs/dbraw/zinc/84/69/70/634846970.db2.gz	CAPSGIWYABFCGM-UHFFFAOYSA-N	-1	0	287.281	3.217	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCC#N	ZINC000813057534	631342732	/nfs/dbraw/zinc/34/27/32/631342732.db2.gz	MEOXMBYMQTXVGF-CYBMUJFWSA-N	-1	0	293.326	3.062	20	30		CGEDRM
Cc1cc(=O)[nH]c(CN[C@H](CCCC#N)c2ccccc2)n1	ZINC000814659486	631617304	/nfs/dbraw/zinc/61/73/04/631617304.db2.gz	OGWOVRIJAQVTJT-OAHLLOKOSA-N	-1	0	296.374	3.015	20	30		CGEDRM
CCCC(=NNc1ccccc1C(=O)[O-])c1cccnc1	ZINC000814768159	631635832	/nfs/dbraw/zinc/63/58/32/631635832.db2.gz	KSBKOSNCVGFXGJ-UHFFFAOYSA-N	-1	0	283.331	3.396	20	30		CGEDRM
C[C@@H]1C(N=Nc2ncccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814810279	631646155	/nfs/dbraw/zinc/64/61/55/631646155.db2.gz	FYCXOYMXQDQRIZ-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncccc1Cl	ZINC000814810863	631646383	/nfs/dbraw/zinc/64/63/83/631646383.db2.gz	XHABHKRYQUCICV-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H](NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C)c1ccccc1	ZINC000814815326	631647740	/nfs/dbraw/zinc/64/77/40/631647740.db2.gz	UFXMWEKPTQDSOO-DYEKYZERSA-N	-1	0	274.364	3.214	20	30		CGEDRM
Oc1cccc(CN=Nc2cnc3ccccc3n2)c1Cl	ZINC000814829607	631650122	/nfs/dbraw/zinc/65/01/22/631650122.db2.gz	BXXWLGUMVPXXFB-UHFFFAOYSA-N	-1	0	298.733	3.435	20	30		CGEDRM
Cc1ccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)nc1	ZINC000814831788	631650982	/nfs/dbraw/zinc/65/09/82/631650982.db2.gz	QYCSCXSXXJIFNL-UHFFFAOYSA-N	-1	0	283.331	3.151	20	30		CGEDRM
Cc1ccnc(N=NC2CCc3cccc(C(=O)[O-])c3C2)c1	ZINC000814868086	631659524	/nfs/dbraw/zinc/65/95/24/631659524.db2.gz	KDNVGKBNRKTHGN-UHFFFAOYSA-N	-1	0	295.342	3.045	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1cccc(Cl)c1	ZINC000814867543	631659640	/nfs/dbraw/zinc/65/96/40/631659640.db2.gz	JJUTXRHVEHYLQE-UHFFFAOYSA-N	-1	0	294.782	3.451	20	30		CGEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NOCC(C)C	ZINC000814884044	631663961	/nfs/dbraw/zinc/66/39/61/631663961.db2.gz	MGROCBADQCQYMY-UHFFFAOYSA-N	-1	0	293.363	3.131	20	30		CGEDRM
CC(C)CON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814883926	631664208	/nfs/dbraw/zinc/66/42/08/631664208.db2.gz	HVISQCQKJHGONG-QWRGUYRKSA-N	-1	0	255.358	3.172	20	30		CGEDRM
CC(C)(C)CCNN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814901440	631671304	/nfs/dbraw/zinc/67/13/04/631671304.db2.gz	NIIZBUQFVXXDBO-UHFFFAOYSA-N	-1	0	288.391	3.185	20	30		CGEDRM
CC(=NOCCC(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814909981	631677754	/nfs/dbraw/zinc/67/77/54/631677754.db2.gz	NNRCTXRXGKGWJL-ZJUUUORDSA-N	-1	0	295.301	3.468	20	30		CGEDRM
C[C@H]1C(N=Nc2ncccc2F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814927444	631685201	/nfs/dbraw/zinc/68/52/01/631685201.db2.gz	OZKZMHOSRALKIL-UWVGGRQHSA-N	-1	0	293.342	3.146	20	30		CGEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NOC1CCC1	ZINC000814936193	631690779	/nfs/dbraw/zinc/69/07/79/631690779.db2.gz	CKSCXUODQQLPDX-UHFFFAOYSA-N	-1	0	291.347	3.028	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc(Cl)n1	ZINC000814939473	631692836	/nfs/dbraw/zinc/69/28/36/631692836.db2.gz	RLGMHIHIIZVOLR-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CS[C@@H]1CCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000819801109	632517034	/nfs/dbraw/zinc/51/70/34/632517034.db2.gz	NPVAVRDTLOXDJP-LLVKDONJSA-N	-1	0	284.768	3.332	20	30		CGEDRM
CC(=NN[C@@H](C)c1ccncc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000819819437	632526580	/nfs/dbraw/zinc/52/65/80/632526580.db2.gz	ZQMUEWMLMAKXFN-JSGCOSHPSA-N	-1	0	291.395	3.389	20	30		CGEDRM
CC[C@]1(C)CCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000844600319	635940644	/nfs/dbraw/zinc/94/06/44/635940644.db2.gz	KFLYWVVSNTUIKG-CQSZACIVSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830336333	633851759	/nfs/dbraw/zinc/85/17/59/633851759.db2.gz	CZUIPSQEVCDSPS-UHFFFAOYSA-N	-1	0	279.311	3.275	20	30		CGEDRM
C[C@H]1CC(N=NC2CCC(C)(C)CC2)CC[C@H]1C(=O)[O-]	ZINC000872395336	634130748	/nfs/dbraw/zinc/13/07/48/634130748.db2.gz	IOWMDTCMPIFYIR-SMDDNHRTSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000872752773	634202018	/nfs/dbraw/zinc/20/20/18/634202018.db2.gz	PFFNTDXEAUCYOU-VQHVLOKHSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H](C)O1	ZINC000834915999	634286440	/nfs/dbraw/zinc/28/64/40/634286440.db2.gz	SKONYJWFLHKCFG-SFYZADRCSA-N	-1	0	282.727	3.003	20	30		CGEDRM
CC[C@H](C)CCN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000834966883	634296498	/nfs/dbraw/zinc/29/64/98/634296498.db2.gz	PPFDSGCQGUVADT-JTQLQIEISA-N	-1	0	264.325	3.227	20	30		CGEDRM
C[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])nc2)[C@H]1C	ZINC000835007534	634312403	/nfs/dbraw/zinc/31/24/03/634312403.db2.gz	XGCUNBOUYBSUBU-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC23CCC3)c(F)c1	ZINC000835008444	634312905	/nfs/dbraw/zinc/31/29/05/634312905.db2.gz	JDWUQIVPSURNPV-UHFFFAOYSA-N	-1	0	262.284	3.256	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)C1CC1	ZINC000835012335	634316339	/nfs/dbraw/zinc/31/63/39/634316339.db2.gz	OWQFCTFVNNKHCW-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835012873	634316949	/nfs/dbraw/zinc/31/69/49/634316949.db2.gz	YOKJRQVTBWLVEE-AWEZNQCLSA-N	-1	0	294.326	3.127	20	30		CGEDRM
O=C([O-])C1CCC(=NN[C@H]2CCc3c2cccc3F)CC1	ZINC000835021890	634322850	/nfs/dbraw/zinc/32/28/50/634322850.db2.gz	RPDBBYFPOHTDLI-WRXSAAJRSA-N	-1	0	290.338	3.033	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C2=CC[C@@H](C)CC2)n1	ZINC000835035241	634327149	/nfs/dbraw/zinc/32/71/49/634327149.db2.gz	DXFDQSRNFLIWKY-SKDRFNHKSA-N	-1	0	260.362	3.374	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000126484305	635032430	/nfs/dbraw/zinc/03/24/30/635032430.db2.gz	BSTWNNIDOYJNLW-AATRIKPKSA-N	-1	0	256.257	3.182	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@H]1C[C@@H]1C	ZINC000841640112	635206039	/nfs/dbraw/zinc/20/60/39/635206039.db2.gz	DAXOHPDWPVCABI-WCBMZHEXSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC(C)CC(N=Nc1ccc(C(=O)[O-])nc1)c1ccncc1	ZINC000842535339	635394309	/nfs/dbraw/zinc/39/43/09/635394309.db2.gz	FMTDNUCPPJMIKY-UHFFFAOYSA-N	-1	0	298.346	3.037	20	30		CGEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000843270519	635629677	/nfs/dbraw/zinc/62/96/77/635629677.db2.gz	WFXMPVAWZXUNQN-GQCTYLIASA-N	-1	0	288.322	3.280	20	30		CGEDRM
C=C[C@H](C)ON=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000844620601	635944067	/nfs/dbraw/zinc/94/40/67/635944067.db2.gz	MKRLEZSKWSPIGR-LBPRGKRZSA-N	-1	0	291.347	3.245	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc(Cl)cc1	ZINC000846537552	636195469	/nfs/dbraw/zinc/19/54/69/636195469.db2.gz	HNXCFDLIKFBRKT-UHFFFAOYSA-N	-1	0	267.756	3.242	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000846541197	636195933	/nfs/dbraw/zinc/19/59/33/636195933.db2.gz	DZPBDUKJMQVPKY-UWVGGRQHSA-N	-1	0	285.796	3.443	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(F)c2)CCCC1	ZINC000846542624	636197498	/nfs/dbraw/zinc/19/74/98/636197498.db2.gz	AYMQHGKPDSVQQX-LBPRGKRZSA-N	-1	0	277.339	3.260	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1Cl	ZINC000846545539	636198392	/nfs/dbraw/zinc/19/83/92/636198392.db2.gz	HFIYHCURCGBHCI-ZYHUDNBSSA-N	-1	0	283.755	3.120	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	ZINC000846550507	636200277	/nfs/dbraw/zinc/20/02/77/636200277.db2.gz	OSCKIKXPVRAYJC-WDEREUQCSA-N	-1	0	283.755	3.038	20	30		CGEDRM
COC1(CC(C)N=Nc2ccc(CC(=O)[O-])cc2)CCC1	ZINC000848414998	636571587	/nfs/dbraw/zinc/57/15/87/636571587.db2.gz	VEMOLOLXZMPUGD-UHFFFAOYSA-N	-1	0	290.363	3.061	20	30		CGEDRM
C[C@H](CN=Nc1ccc(CC(=O)[O-])cc1)C(C)(C)C	ZINC000848414995	636571769	/nfs/dbraw/zinc/57/17/69/636571769.db2.gz	UZOBDNDQWLIZOX-LLVKDONJSA-N	-1	0	262.353	3.394	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2C=CCC2)c1[O-]	ZINC000849170916	636763813	/nfs/dbraw/zinc/76/38/13/636763813.db2.gz	WTMJZHYDLRZGHW-IXIHQHOXSA-N	-1	0	266.684	3.091	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000109047577	636932590	/nfs/dbraw/zinc/93/25/90/636932590.db2.gz	BHPGCBZXHJAKLQ-HNNXBMFYSA-N	-1	0	269.385	3.060	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000007333312	636997019	/nfs/dbraw/zinc/99/70/19/636997019.db2.gz	ZYXHWPCJCPGOPB-AATRIKPKSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CCCCCCCC(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000851610538	637460427	/nfs/dbraw/zinc/46/04/27/637460427.db2.gz	VTVCEXSMGFBYKG-INIZCTEOSA-N	-1	0	299.386	3.152	20	30		CGEDRM
CC(C)(C)CN(CCC#N)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000932059300	639257210	/nfs/dbraw/zinc/25/72/10/639257210.db2.gz	FGFIBVPRKSZTQY-UHFFFAOYSA-N	-1	0	296.317	3.072	20	30		CGEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C1CC1	ZINC000049135171	640084057	/nfs/dbraw/zinc/08/40/57/640084057.db2.gz	MRYGOQXUWAPEGY-JTQLQIEISA-N	-1	0	299.367	3.048	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000076766677	640214433	/nfs/dbraw/zinc/21/44/33/640214433.db2.gz	XXISTVRGWBYPPK-NSHDSACASA-N	-1	0	295.404	3.257	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000080298827	640465186	/nfs/dbraw/zinc/46/51/86/640465186.db2.gz	QLTSQTFNJCDLGU-UHFFFAOYSA-N	-1	0	275.757	3.094	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1F	ZINC000195503021	640587881	/nfs/dbraw/zinc/58/78/81/640587881.db2.gz	ARDRSBJXYMTLRG-VMPITWQZSA-N	-1	0	288.274	3.142	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=C1CCC1	ZINC000088815065	640625477	/nfs/dbraw/zinc/62/54/77/640625477.db2.gz	YCUKBDFXBIBZCG-NSHDSACASA-N	-1	0	279.361	3.144	20	30		CGEDRM
C#C[C@@H]1CCCN(Cc2cc([O-])c(Cl)c(F)c2F)C1	ZINC001250410136	805600488	/nfs/dbraw/zinc/60/04/88/805600488.db2.gz	FEUYKPSUPZQPAK-SECBINFHSA-N	-1	0	285.721	3.169	20	30		CGEDRM
Cc1c2nc(-c3cc(C#N)ccc3[O-])[nH]c2ccc1F	ZINC001251180094	805860284	/nfs/dbraw/zinc/86/02/84/805860284.db2.gz	BKOWUWMMBPILIT-UHFFFAOYSA-N	-1	0	267.263	3.255	20	30		CGEDRM
Cc1cccc(-c2nnc(-c3ccc([O-])c(C#N)c3)o2)c1	ZINC001253717722	806283275	/nfs/dbraw/zinc/28/32/75/806283275.db2.gz	MPHMGZCHKPNGHH-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
C#CCCCCCCc1cn(-c2ccc(C(=O)[O-])cc2)nn1	ZINC001254099089	806342101	/nfs/dbraw/zinc/34/21/01/806342101.db2.gz	YVSHZCBAVWCLMP-UHFFFAOYSA-N	-1	0	297.358	3.092	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccccc2)cc1CC(=O)[O-]	ZINC000213549988	799134210	/nfs/dbraw/zinc/13/42/10/799134210.db2.gz	RBEJPFPUGSKAKO-CLFYSBASSA-N	-1	0	296.322	3.218	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1C#N	ZINC000588561733	799711274	/nfs/dbraw/zinc/71/12/74/799711274.db2.gz	DZNZNDNQHSSWEE-RQOWECAXSA-N	-1	0	285.324	3.230	20	30		CGEDRM
COCc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588599329	799720546	/nfs/dbraw/zinc/72/05/46/799720546.db2.gz	YCVQJTQQPACVON-SREVYHEPSA-N	-1	0	274.341	3.496	20	30		CGEDRM
Cc1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)cc1Cl	ZINC001117701884	802479292	/nfs/dbraw/zinc/47/92/92/802479292.db2.gz	FLXMNCDHIAEIRM-UHFFFAOYSA-N	-1	0	277.711	3.121	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(C(=O)[O-])s1	ZINC001174805032	809166458	/nfs/dbraw/zinc/16/64/58/809166458.db2.gz	IZWXFXIHTWNCNV-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccc(C(=O)[O-])s1	ZINC001174805186	809166692	/nfs/dbraw/zinc/16/66/92/809166692.db2.gz	NXNDWDDEDPRPPJ-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(CCC(=O)[O-])cc3)ccc12	ZINC001244186387	803232780	/nfs/dbraw/zinc/23/27/80/803232780.db2.gz	KELWVMRQURGSPL-UHFFFAOYSA-N	-1	0	291.310	3.119	20	30		CGEDRM
N#CCc1ccc(-c2ccc(CCC(=O)[O-])cc2)cc1C#N	ZINC001244189786	803234157	/nfs/dbraw/zinc/23/41/57/803234157.db2.gz	WKMOGRLJSVUDHQ-UHFFFAOYSA-N	-1	0	290.322	3.309	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3ccc(Cl)cc3[O-])c12	ZINC001244466235	803382216	/nfs/dbraw/zinc/38/22/16/803382216.db2.gz	FDDDSWUAIKSSBM-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
Cc1cnc(-c2ccc(Cl)cc2[O-])c(/C=N/O)c1	ZINC001244466404	803382779	/nfs/dbraw/zinc/38/27/79/803382779.db2.gz	INDQWFIKNVLVIZ-FRKPEAEDSA-N	-1	0	262.696	3.224	20	30		CGEDRM
N#Cc1nccc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)n1	ZINC001244510794	803413050	/nfs/dbraw/zinc/41/30/50/803413050.db2.gz	ONDLPXFVVNEMKM-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
CSc1ncc(C#N)c(-c2c(Cl)ccc([O-])c2F)n1	ZINC001244538203	803424771	/nfs/dbraw/zinc/42/47/71/803424771.db2.gz	KODHKQGBFMUEAF-UHFFFAOYSA-N	-1	0	295.726	3.235	20	30		CGEDRM
N#Cc1cc(-c2ccc(Cl)c([O-])c2F)nc(C2CC2)n1	ZINC001244629438	803472828	/nfs/dbraw/zinc/47/28/28/803472828.db2.gz	HPUGCFRBRDWSAH-UHFFFAOYSA-N	-1	0	289.697	3.391	20	30		CGEDRM
C[C@H](C#N)c1ccc(-c2cnc(F)c(C(=O)[O-])c2)cc1	ZINC001244756716	803521558	/nfs/dbraw/zinc/52/15/58/803521558.db2.gz	NOYQSJUUJRAGFF-SECBINFHSA-N	-1	0	270.263	3.213	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(Cl)ccc1[O-])CCC2	ZINC001245050508	803623002	/nfs/dbraw/zinc/62/30/02/803623002.db2.gz	TWJZBWQZSCMORH-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
Cc1cc(C#N)c(-c2cccc(C(=O)[O-])c2C)nc1C	ZINC001245297917	803694240	/nfs/dbraw/zinc/69/42/40/803694240.db2.gz	ULLDSVHLWLCIIR-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
N#Cc1cncc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211958353	814961601	/nfs/dbraw/zinc/96/16/01/814961601.db2.gz	MRXSSYPSSLPTEC-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1c([O-])cccc1F	ZINC001245653663	803883721	/nfs/dbraw/zinc/88/37/21/803883721.db2.gz	KRAQRGMUCSXOQF-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CC1(c2ccc(-c3c([O-])cccc3F)nc2)CCOCC1	ZINC001245652666	803883830	/nfs/dbraw/zinc/88/38/30/803883830.db2.gz	GUFGAVZTFIHXCF-UHFFFAOYSA-N	-1	0	298.317	3.165	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1c(F)ccc([O-])c1Cl	ZINC001245827589	803983357	/nfs/dbraw/zinc/98/33/57/803983357.db2.gz	NOFCMUULMWJCFD-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(C3CCCC3)cc2=O)c1	ZINC001245928426	804056803	/nfs/dbraw/zinc/05/68/03/804056803.db2.gz	HYFFIEARCWPQQQ-UHFFFAOYSA-N	-1	0	267.332	3.166	20	30		CGEDRM
CCCCCCCCNC(=S)NC1=CC=C[CH]1	ZINC001247176538	804675058	/nfs/dbraw/zinc/67/50/58/804675058.db2.gz	OJVNMDQJDVOMIR-UHFFFAOYSA-N	-1	0	251.419	3.469	20	30		CGEDRM
Cc1oc(Nc2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1C	ZINC001212511230	815044494	/nfs/dbraw/zinc/04/44/94/815044494.db2.gz	YFVOJNBIKYJMLF-UHFFFAOYSA-N	-1	0	292.241	3.488	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(C)c1	ZINC001148252217	805170334	/nfs/dbraw/zinc/17/03/34/805170334.db2.gz	GRFPBKOQJAPWCF-UHFFFAOYSA-N	-1	0	284.290	3.272	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Cc1ccc(C#N)cc1	ZINC001250054039	805392186	/nfs/dbraw/zinc/39/21/86/805392186.db2.gz	AWUCTYWBDLIMSU-UHFFFAOYSA-N	-1	0	269.275	3.295	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(Cl)c([O-])c2)c1	ZINC001212589464	815078577	/nfs/dbraw/zinc/07/85/77/815078577.db2.gz	MRZQKWISBYUCHV-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(CO)c(F)c1Cl	ZINC001250295643	805548301	/nfs/dbraw/zinc/54/83/01/805548301.db2.gz	BLBGIZCCKLPCJC-UHFFFAOYSA-N	-1	0	298.726	3.354	20	30		CGEDRM
CCCCCCC[C@H](CC(C)C)NCS(=O)(=O)[O-]	ZINC001258715894	807566837	/nfs/dbraw/zinc/56/68/37/807566837.db2.gz	NNYKLHLPMGFSNX-CYBMUJFWSA-N	-1	0	279.446	3.197	20	30		CGEDRM
CC[C@H](C)S(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N	ZINC001260740026	807703196	/nfs/dbraw/zinc/70/31/96/807703196.db2.gz	OBALDOLLWQHWFO-NSHDSACASA-N	-1	0	280.393	3.222	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])s1	ZINC001174807315	809167595	/nfs/dbraw/zinc/16/75/95/809167595.db2.gz	KWRNCIKVHPDFJG-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])s2)c(C#N)c1	ZINC001174810104	809169191	/nfs/dbraw/zinc/16/91/91/809169191.db2.gz	GFXMSSUNNZCRFL-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1F	ZINC001174981889	809224877	/nfs/dbraw/zinc/22/48/77/809224877.db2.gz	IOYNWUBQPXAKCE-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cc(C(=O)[O-])ccc2C)c1	ZINC001174986339	809227705	/nfs/dbraw/zinc/22/77/05/809227705.db2.gz	PAAYQOUEXIBAPP-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175160305	809293428	/nfs/dbraw/zinc/29/34/28/809293428.db2.gz	GOTDECVMSMLVHK-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175219837	809313157	/nfs/dbraw/zinc/31/31/57/809313157.db2.gz	FRYIURDPWXRRFT-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(F)ccc(O)c1F	ZINC001175264053	809329934	/nfs/dbraw/zinc/32/99/34/809329934.db2.gz	QWGOECASIFPWKY-UHFFFAOYSA-N	-1	0	268.244	3.053	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175330207	809357980	/nfs/dbraw/zinc/35/79/80/809357980.db2.gz	IHVTWMCZURSWDR-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2cccc(C(=O)[O-])c2)c1F	ZINC001175332886	809360050	/nfs/dbraw/zinc/36/00/50/809360050.db2.gz	ZZEURCYEKAXENX-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
CSc1ccc(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001175657840	809493756	/nfs/dbraw/zinc/49/37/56/809493756.db2.gz	NXFRCZLZXZDPNE-UHFFFAOYSA-N	-1	0	275.308	3.263	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2c([O-])cc(F)cc2F)c1	ZINC001175685286	809504667	/nfs/dbraw/zinc/50/46/67/809504667.db2.gz	OEXLVIHVYMCYBK-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#C[C@H](NC(=O)c1cc2ccccc2cc1O)C1CCCC1	ZINC001303060308	809603541	/nfs/dbraw/zinc/60/35/41/809603541.db2.gz	KYSAFTWVOKTMGS-INIZCTEOSA-N	-1	0	294.354	3.358	20	30		CGEDRM
Cc1noc(C)c1[N-]c1onc(C(C)(C)C)c1C#N	ZINC001176177902	809640462	/nfs/dbraw/zinc/64/04/62/809640462.db2.gz	BXQCDWACNHCMCE-UHFFFAOYSA-N	-1	0	260.297	3.192	20	30		CGEDRM
COc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1C#N	ZINC001176595988	809726886	/nfs/dbraw/zinc/72/68/86/809726886.db2.gz	YVYISVPSUMRUHH-RUDMXATFSA-N	-1	0	294.310	3.408	20	30		CGEDRM
N#Cc1cc([N-]c2nnc(-c3ccco3)o2)ccc1F	ZINC001176610284	809730486	/nfs/dbraw/zinc/73/04/86/809730486.db2.gz	DLMNZIQOQOHRAV-UHFFFAOYSA-N	-1	0	270.223	3.084	20	30		CGEDRM
COc1cccc(C#N)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176673301	809741031	/nfs/dbraw/zinc/74/10/31/809741031.db2.gz	SFJAWTPJMAYEKF-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176713919	809747645	/nfs/dbraw/zinc/74/76/45/809747645.db2.gz	XJGJZSGAMVRGGQ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213631719	815314730	/nfs/dbraw/zinc/31/47/30/815314730.db2.gz	AZCZCFFHLJQKPR-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
C[C@@H]1C[C@@H](NC(=O)CCC(=O)C2=CC=C[CH]2)CC(C)(C)C1	ZINC001184246261	810185190	/nfs/dbraw/zinc/18/51/90/810185190.db2.gz	NEGOAOLHMCFNQN-UKRRQHHQSA-N	-1	0	288.411	3.367	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccsc1	ZINC001185383950	810259694	/nfs/dbraw/zinc/25/96/94/810259694.db2.gz	LPFZDXXFJGMTPP-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC[C@H](C)CCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001185573024	810277404	/nfs/dbraw/zinc/27/74/04/810277404.db2.gz	XDWUQJLIEJZLHN-VIFPVBQESA-N	-1	0	264.300	3.168	20	30		CGEDRM
N#CCc1cc(NC(=O)c2cccc([S-])c2)ccc1F	ZINC001186155336	810316610	/nfs/dbraw/zinc/31/66/10/810316610.db2.gz	ABQORVNLYPIOSD-UHFFFAOYSA-N	-1	0	286.331	3.433	20	30		CGEDRM
C[C@H](NC(=O)c1cccc([S-])c1)c1cccc(C#N)c1	ZINC001186156229	810317043	/nfs/dbraw/zinc/31/70/43/810317043.db2.gz	LANUUJWEDVGEMH-NSHDSACASA-N	-1	0	282.368	3.338	20	30		CGEDRM
Cc1cc(O)ccc1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC001186167170	810318426	/nfs/dbraw/zinc/31/84/26/810318426.db2.gz	IVCMSAOVFKLZJG-UHFFFAOYSA-N	-1	0	298.367	3.375	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1ncccc1C#N	ZINC001187993006	810439590	/nfs/dbraw/zinc/43/95/90/810439590.db2.gz	DPBXAWQGBQJXBO-UHFFFAOYSA-N	-1	0	295.408	3.055	20	30		CGEDRM
N#CCc1cccc(C(=O)Nc2ccccc2[S-])c1	ZINC001188676538	810503450	/nfs/dbraw/zinc/50/34/50/810503450.db2.gz	DGTKTBRSGBUNON-UHFFFAOYSA-N	-1	0	268.341	3.294	20	30		CGEDRM
COCOc1ccc(C)cc1Nc1scc([O-])c1C#N	ZINC001214236635	815389666	/nfs/dbraw/zinc/38/96/66/815389666.db2.gz	ALEBGYVJYLJLTE-UHFFFAOYSA-N	-1	0	290.344	3.360	20	30		CGEDRM
Cc1ccc(OC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC001194462861	811078960	/nfs/dbraw/zinc/07/89/60/811078960.db2.gz	MGJVKDANBQGUFL-UHFFFAOYSA-N	-1	0	268.272	3.183	20	30		CGEDRM
CCCCCCCCOC(=O)N=c1cn[n-]s1	ZINC001194735403	811119727	/nfs/dbraw/zinc/11/97/27/811119727.db2.gz	OJERDKZLHNXENK-UHFFFAOYSA-N	-1	0	257.359	3.447	20	30		CGEDRM
C#Cc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001197115634	811400568	/nfs/dbraw/zinc/40/05/68/811400568.db2.gz	KZTXSNYSNUFLBV-UHFFFAOYSA-N	-1	0	296.351	3.175	20	30		CGEDRM
Cc1noc(Nc2ccc(Cl)c([O-])c2F)c1C#N	ZINC001214791334	815452152	/nfs/dbraw/zinc/45/21/52/815452152.db2.gz	REEMDJNDYISEPV-UHFFFAOYSA-N	-1	0	267.647	3.096	20	30		CGEDRM
C=CCNC(=S)Nc1cc(Cl)ccc1[S-]	ZINC001200291764	811670940	/nfs/dbraw/zinc/67/09/40/811670940.db2.gz	XKXWCDKNQRXHPR-UHFFFAOYSA-N	-1	0	258.799	3.101	20	30		CGEDRM
C=CCNC(=S)Nc1ccc(Cl)cc1[S-]	ZINC001200292890	811671001	/nfs/dbraw/zinc/67/10/01/811671001.db2.gz	OVCHNSABWJJEFC-UHFFFAOYSA-N	-1	0	258.799	3.101	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215279020	815501432	/nfs/dbraw/zinc/50/14/32/815501432.db2.gz	VWXKFDHMXYWAKV-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CCc1cccc(NC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001202886679	812193546	/nfs/dbraw/zinc/19/35/46/812193546.db2.gz	KVWQTNWTBATSLV-UHFFFAOYSA-N	-1	0	281.315	3.470	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)c2n[nH]cc21	ZINC001215370974	815510715	/nfs/dbraw/zinc/51/07/15/815510715.db2.gz	JWDREHLXMDGKSK-UHFFFAOYSA-N	-1	0	274.280	3.084	20	30		CGEDRM
Cc1ccc(Nc2ccsc2C(=O)[O-])c(C#N)c1	ZINC001215391946	815514822	/nfs/dbraw/zinc/51/48/22/815514822.db2.gz	OVMXCZUWGURHHY-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccsc2C(=O)[O-])cc1F	ZINC001215391783	815515043	/nfs/dbraw/zinc/51/50/43/815515043.db2.gz	LYCTWMNCAPPQFA-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
C#Cc1ccc(Nc2ccsc2C(=O)[O-])cc1F	ZINC001215397653	815516538	/nfs/dbraw/zinc/51/65/38/815516538.db2.gz	KKNGDEYDGLQPCB-UHFFFAOYSA-N	-1	0	261.277	3.310	20	30		CGEDRM
N#CCc1ccccc1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203329340	812313127	/nfs/dbraw/zinc/31/31/27/812313127.db2.gz	AOMSZXSBIHTZGL-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203328663	812313898	/nfs/dbraw/zinc/31/38/98/812313898.db2.gz	ZTZHGEZIHNBRHZ-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215463625	815521468	/nfs/dbraw/zinc/52/14/68/815521468.db2.gz	GWQRCUBURYWDPV-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215466177	815521879	/nfs/dbraw/zinc/52/18/79/815521879.db2.gz	LXGLESXDPMGRPJ-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CC(C)(C)c1nnc([N-]c2cc(F)c(C#N)c(F)c2)o1	ZINC001203668285	812424067	/nfs/dbraw/zinc/42/40/67/812424067.db2.gz	DVJMULKSKHIZSA-UHFFFAOYSA-N	-1	0	278.262	3.261	20	30		CGEDRM
Cc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c(F)c1	ZINC001204642400	812698904	/nfs/dbraw/zinc/69/89/04/812698904.db2.gz	FASVKJCAUPBXLV-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
N#Cc1sccc1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215611882	815547498	/nfs/dbraw/zinc/54/74/98/815547498.db2.gz	BMKKQEKLKGEQSW-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccsc2C(=O)[O-])cc1F	ZINC001205580182	813010918	/nfs/dbraw/zinc/01/09/18/813010918.db2.gz	WKVBQVRBQMHAQV-UHFFFAOYSA-N	-1	0	265.240	3.263	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc(F)c(F)c(C(=O)[O-])c3)ccc12	ZINC001206005053	813162500	/nfs/dbraw/zinc/16/25/00/813162500.db2.gz	IVNXPTKTSGJEAE-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1cc(Nc2ccccc2[N+](=O)[O-])c([O-])cc1F	ZINC001206179646	813228654	/nfs/dbraw/zinc/22/86/54/813228654.db2.gz	BRMRNYWHUMDKCN-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#CCc1cc(-c2csc(C(=O)[O-])c2)ccc1F	ZINC001206283688	813271588	/nfs/dbraw/zinc/27/15/88/813271588.db2.gz	FYAXYIXWIILMRD-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1C#N	ZINC001209890095	814189407	/nfs/dbraw/zinc/18/94/07/814189407.db2.gz	XQNFAQVHKKPBPC-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(Nc2cc(F)cc(C(=O)[O-])c2)ccc1C#N	ZINC001209890884	814191031	/nfs/dbraw/zinc/19/10/31/814191031.db2.gz	ZHWGMCFUKLABMB-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2cccc(CC(=O)[O-])c2)cn1	ZINC001210069565	814271643	/nfs/dbraw/zinc/27/16/43/814271643.db2.gz	PCFJZNFQNINWLT-UHFFFAOYSA-N	-1	0	295.342	3.253	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1F	ZINC001210076745	814277043	/nfs/dbraw/zinc/27/70/43/814277043.db2.gz	JPFLOCSEHKWIGR-UHFFFAOYSA-N	-1	0	269.275	3.178	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210244180	814363270	/nfs/dbraw/zinc/36/32/70/814363270.db2.gz	BIQNYNYIIRTFCK-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C#N)c1	ZINC001210395339	814442172	/nfs/dbraw/zinc/44/21/72/814442172.db2.gz	UTGRAZFNIXQQGK-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
N#CCc1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210397762	814444239	/nfs/dbraw/zinc/44/42/39/814444239.db2.gz	GKKFHAGLTOAQNA-UHFFFAOYSA-N	-1	0	269.260	3.110	20	30		CGEDRM
COc1ncc(Cl)cc1Nc1scc([O-])c1C#N	ZINC001210450542	814462765	/nfs/dbraw/zinc/46/27/65/814462765.db2.gz	NUQMJLFZVBXVCK-UHFFFAOYSA-N	-1	0	281.724	3.126	20	30		CGEDRM
Cc1nsc(Nc2cccc([O-])c2Cl)c1C#N	ZINC001210844310	814649161	/nfs/dbraw/zinc/64/91/61/814649161.db2.gz	CZVAPSCFFVJGNO-UHFFFAOYSA-N	-1	0	265.725	3.426	20	30		CGEDRM
N#Cc1ccnnc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210926507	814677429	/nfs/dbraw/zinc/67/74/29/814677429.db2.gz	KVTBEMKCSNPCFA-UHFFFAOYSA-N	-1	0	281.102	3.104	20	30		CGEDRM
C#CCOc1ccc(Nc2ccccc2C(=O)[O-])cc1	ZINC001210969111	814696306	/nfs/dbraw/zinc/69/63/06/814696306.db2.gz	POVHSUPTBXJXAE-UHFFFAOYSA-N	-1	0	267.284	3.140	20	30		CGEDRM
N#CCc1cc(-c2cc(F)c([O-])cc2F)ccc1C#N	ZINC001211349772	814883892	/nfs/dbraw/zinc/88/38/92/814883892.db2.gz	GIFFULVFMDNPAV-UHFFFAOYSA-N	-1	0	270.238	3.275	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-n1cc(C#N)c2ccc(N)cc21	ZINC001211626707	814921853	/nfs/dbraw/zinc/92/18/53/814921853.db2.gz	SNPFLLXTTUJSQN-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
N#Cc1cc(F)cc(-c2noc(-c3cccc(F)c3[O-])n2)c1	ZINC001215862722	815616317	/nfs/dbraw/zinc/61/63/17/815616317.db2.gz	ARFSZVUSQZJMQW-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2O)cc(C)c1C(=O)[O-]	ZINC001216312158	815775972	/nfs/dbraw/zinc/77/59/72/815775972.db2.gz	DICOMYCXFNAIMY-UHFFFAOYSA-N	-1	0	282.299	3.323	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2C#N)cc(C)c1C(=O)[O-]	ZINC001216313836	815776488	/nfs/dbraw/zinc/77/64/88/815776488.db2.gz	XNKDPFSZWGBDAL-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
N#Cc1nccnc1-c1cc(Cl)c([O-])c(Cl)c1	ZINC001242848516	823152057	/nfs/dbraw/zinc/15/20/57/823152057.db2.gz	AFVHZZHLMCCGER-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
CCCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001216587696	815866522	/nfs/dbraw/zinc/86/65/22/815866522.db2.gz	BDYBPALLSKGKRN-UHFFFAOYSA-N	-1	0	287.294	3.330	20	30		CGEDRM
Cc1c(Nc2csc(C#N)c2)cccc1C(=O)[O-]	ZINC001216659055	815886836	/nfs/dbraw/zinc/88/68/36/815886836.db2.gz	OHWGWMDYLIIXLK-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cc(CC(=O)[O-])ccc2F)c1	ZINC001216680796	815892678	/nfs/dbraw/zinc/89/26/78/815892678.db2.gz	DRKNDTHVZZCCAT-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccccc1C(=O)[O-]	ZINC001242877089	823161481	/nfs/dbraw/zinc/16/14/81/823161481.db2.gz	QQZJJLMXUIREFR-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(F)cc(C)c1C#N	ZINC001242922915	823173207	/nfs/dbraw/zinc/17/32/07/823173207.db2.gz	WNEYODACVKCDDH-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222662552	816494032	/nfs/dbraw/zinc/49/40/32/816494032.db2.gz	NKHFYEFMXQWUER-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
CC(=O)[C@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940108	816539116	/nfs/dbraw/zinc/53/91/16/816539116.db2.gz	MMEXJCIENLZJKZ-OPVNVCPSSA-N	-1	0	291.681	3.105	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)C(F)(F)F	ZINC001223594258	816655321	/nfs/dbraw/zinc/65/53/21/816655321.db2.gz	WAQNPXLJLBJAMT-ZTEADGEESA-N	-1	0	267.634	3.443	20	30		CGEDRM
[O-]/N=C(\O[C@H]1CCC(F)(F)C1)c1cc(F)ccc1F	ZINC001223891199	816698734	/nfs/dbraw/zinc/69/87/34/816698734.db2.gz	FHOPPRGPLAJNCG-KHTYSLTCSA-N	-1	0	277.217	3.305	20	30		CGEDRM
C[C@H](OCCOc1ccc(C#N)cc1)C1=CC=C[CH]1	ZINC001224286551	816769191	/nfs/dbraw/zinc/76/91/91/816769191.db2.gz	MLKIOYOKPIFCQK-ZDUSSCGKSA-N	-1	0	254.309	3.043	20	30		CGEDRM
C=CC[C@H](CCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225514943	817081037	/nfs/dbraw/zinc/08/10/37/817081037.db2.gz	QOMRUPZUOISBAT-LLVKDONJSA-N	-1	0	270.350	3.057	20	30		CGEDRM
N#Cc1c(OC2CCCCC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226063154	817262593	/nfs/dbraw/zinc/26/25/93/817262593.db2.gz	DCDIVJRLBGNXOM-UHFFFAOYSA-N	-1	0	286.253	3.389	20	30		CGEDRM
CCC[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226062992	817262817	/nfs/dbraw/zinc/26/28/17/817262817.db2.gz	AJTHAVQPXUCKKY-SSDOTTSWSA-N	-1	0	274.242	3.245	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(C)cc(=O)[n-]2)C1	ZINC001226156567	817287711	/nfs/dbraw/zinc/28/77/11/817287711.db2.gz	PAALLFIPTPCXOI-CHWSQXEVSA-N	-1	0	260.337	3.170	20	30		CGEDRM
C=C[C@@H](CCC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481074	817371171	/nfs/dbraw/zinc/37/11/71/817371171.db2.gz	CBCLKFDYOYIYGO-JTQLQIEISA-N	-1	0	250.294	3.034	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)nc2ncsc21)C(=C)C	ZINC001227610247	817681313	/nfs/dbraw/zinc/68/13/13/817681313.db2.gz	KBKAFZLDMHLJBI-SECBINFHSA-N	-1	0	277.349	3.082	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243202457	823288438	/nfs/dbraw/zinc/28/84/38/823288438.db2.gz	AJDVGFCDSRDIQG-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2C)c(CC#N)c1	ZINC001243204272	823290082	/nfs/dbraw/zinc/29/00/82/823290082.db2.gz	KUBFESCKOLIBHZ-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1ccc(Cl)c([O-])c1Cl	ZINC001232629155	818404996	/nfs/dbraw/zinc/40/49/96/818404996.db2.gz	MLJVMMHECOQMEF-IUCAKERBSA-N	-1	0	289.137	3.135	20	30		CGEDRM
C[C@@H](Oc1ccc(C(=O)CC#N)cc1)C1=CC=C[CH]1	ZINC001233526398	818633441	/nfs/dbraw/zinc/63/34/41/818633441.db2.gz	QQSZBTRABPFPCY-GFCCVEGCSA-N	-1	0	252.293	3.251	20	30		CGEDRM
Cc1cc(O)c(Cl)cc1O[C@@H]1CC[C@@H](C#N)C1	ZINC001233591979	818652553	/nfs/dbraw/zinc/65/25/53/818652553.db2.gz	ITEZYJFEVFNYLG-NXEZZACHSA-N	-1	0	251.713	3.425	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2ccc([O-])c(F)c2F)n1	ZINC001243341442	823355444	/nfs/dbraw/zinc/35/54/44/823355444.db2.gz	LXHKAGJLOGQYQJ-UHFFFAOYSA-N	-1	0	293.298	3.029	20	30		CGEDRM
COc1cc(/C=N/O)ccc1O[C@@H](C)c1cccnc1	ZINC001233801426	818706991	/nfs/dbraw/zinc/70/69/91/818706991.db2.gz	ZRHPLJOACKPBQL-DTQASYIRSA-N	-1	0	272.304	3.038	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)C	ZINC001234512741	818869649	/nfs/dbraw/zinc/86/96/49/818869649.db2.gz	DHNOPCFUGCODHJ-ZDUSSCGKSA-N	-1	0	283.331	3.187	20	30		CGEDRM
CCC[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)C	ZINC001234511013	818870021	/nfs/dbraw/zinc/87/00/21/818870021.db2.gz	HUGHMFYIMCLLKU-CYBMUJFWSA-N	-1	0	285.347	3.411	20	30		CGEDRM
C=CC[C@H](CCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234510662	818870132	/nfs/dbraw/zinc/87/01/32/818870132.db2.gz	DQCBSPSTWQMJGN-GFCCVEGCSA-N	-1	0	283.331	3.331	20	30		CGEDRM
COc1cccc2c1[C@H](Oc1ccccc1C=N[O-])CCO2	ZINC001234820307	818927207	/nfs/dbraw/zinc/92/72/07/818927207.db2.gz	UWAOTPADGVHOPD-MRXNPFEDSA-N	-1	0	299.326	3.406	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(C=CC(=O)[O-])cc3)ccc12	ZINC001235149549	819016429	/nfs/dbraw/zinc/01/64/29/819016429.db2.gz	PCSSMQOAZSWERY-FPYGCLRLSA-N	-1	0	289.294	3.199	20	30		CGEDRM
[O-]/N=C/c1cccc(-c2c(F)cc(F)c(O)c2F)c1	ZINC001235995361	819264198	/nfs/dbraw/zinc/26/41/98/819264198.db2.gz	FBGHVVUJUSBYCH-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
Cc1c(Cl)c(-c2cncc(CC#N)c2)ccc1C(=O)[O-]	ZINC001236127491	819332146	/nfs/dbraw/zinc/33/21/46/819332146.db2.gz	FYAPZXGGVWGQJY-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
C=CCOc1ccc(-c2c(F)ccc(C)c2[O-])nc1C#N	ZINC001236394264	819448467	/nfs/dbraw/zinc/44/84/67/819448467.db2.gz	YYXFWXPNPGRJQZ-UHFFFAOYSA-N	-1	0	284.290	3.338	20	30		CGEDRM
Cc1cc(-c2cc(F)cc(F)c2[O-])nc(C)c1C#N	ZINC001243503503	823422201	/nfs/dbraw/zinc/42/22/01/823422201.db2.gz	GEEHUYICMBVWIW-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])c(F)c2F)nc1C	ZINC001243512329	823426223	/nfs/dbraw/zinc/42/62/23/823426223.db2.gz	RBVDIANVLFVIQC-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#CC[C@@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237998603	819907812	/nfs/dbraw/zinc/90/78/12/819907812.db2.gz	VGHPZHYBRXNNBL-JTQLQIEISA-N	-1	0	282.746	3.310	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1CN(CC#N)Cc1ccccc1	ZINC001238148530	819943663	/nfs/dbraw/zinc/94/36/63/819943663.db2.gz	FUPQBOQFXKGLKG-UHFFFAOYSA-N	-1	0	294.354	3.219	20	30		CGEDRM
COc1cc(-c2cc(F)cc(C)c2C#N)ccc1C(=O)[O-]	ZINC001240744032	821294987	/nfs/dbraw/zinc/29/49/87/821294987.db2.gz	YCCAENWJKNSGTL-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccc(C(=O)[O-])s2)cc1	ZINC001240849916	821369893	/nfs/dbraw/zinc/36/98/93/821369893.db2.gz	ZASQZQZPPIVXKC-RIYZIHGNSA-N	-1	0	261.302	3.312	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])s2)cc(F)c1F	ZINC001240849099	821370217	/nfs/dbraw/zinc/37/02/17/821370217.db2.gz	LNEWVQWIMFGGAU-OMCISZLKSA-N	-1	0	297.282	3.372	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001240999812	821477350	/nfs/dbraw/zinc/47/73/50/821477350.db2.gz	UOBSJBRIUICEDK-UHFFFAOYSA-N	-1	0	299.355	3.052	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1CC#N	ZINC001241184612	821621603	/nfs/dbraw/zinc/62/16/03/821621603.db2.gz	FXPLHBVACCSNGV-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(C(=O)[O-])c(F)c2)c1F	ZINC001241186999	821623906	/nfs/dbraw/zinc/62/39/06/821623906.db2.gz	HKCULXVHJDUOHN-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1CC#N	ZINC001241245039	821666997	/nfs/dbraw/zinc/66/69/97/821666997.db2.gz	DWEPYPLWLZIYSD-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241827533	822166064	/nfs/dbraw/zinc/16/60/64/822166064.db2.gz	KFBIBJWUSWOLBQ-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cnc(-c2cc(C(F)(F)F)ccc2[O-])c(F)c1	ZINC001242131532	822888879	/nfs/dbraw/zinc/88/88/79/822888879.db2.gz	GTESZMFNQVGOHN-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cc(C(=O)[O-])cc(F)c2C)n1	ZINC001242209978	822911323	/nfs/dbraw/zinc/91/13/23/822911323.db2.gz	MQIRTQLPKDCIEF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
COc1cccc(-c2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001242210407	822911374	/nfs/dbraw/zinc/91/13/74/822911374.db2.gz	HMACDMQERNTJDH-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#Cc1ncc(-c2ccc(F)cc2[O-])cc1C(F)(F)F	ZINC001242220534	822916820	/nfs/dbraw/zinc/91/68/20/822916820.db2.gz	CNBGICARLFHRMB-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc(CC(=O)[O-])c1)CCCC2	ZINC001242262977	822929718	/nfs/dbraw/zinc/92/97/18/822929718.db2.gz	YSEFALGMGIRLMK-UHFFFAOYSA-N	-1	0	292.338	3.126	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1cccc(CC(=O)[O-])c1	ZINC001242263724	822930258	/nfs/dbraw/zinc/93/02/58/822930258.db2.gz	OKILAXKNVFGPBJ-UHFFFAOYSA-N	-1	0	285.274	3.022	20	30		CGEDRM
N#Cc1nccc2cc(-c3cccc(CC(=O)[O-])c3)ccc12	ZINC001242265153	822930692	/nfs/dbraw/zinc/93/06/92/822930692.db2.gz	REBULDJPOCJUON-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
CCOC(=O)c1cc(-c2cccc(F)c2[O-])ccc1C#N	ZINC001242352260	822961868	/nfs/dbraw/zinc/96/18/68/822961868.db2.gz	DWAXTZXSPSWUSY-UHFFFAOYSA-N	-1	0	285.274	3.247	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc(Cl)c2[O-])c(C#N)c1	ZINC001242365190	822967984	/nfs/dbraw/zinc/96/79/84/822967984.db2.gz	ZXQKMDVYMKVYNN-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(F)cc(CC#N)c1	ZINC001242394181	822979639	/nfs/dbraw/zinc/97/96/39/822979639.db2.gz	XLGNVZOUAMPPBR-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
Cc1csc2nc(-c3ccc([O-])c(C#N)c3)ncc12	ZINC001242563472	823033058	/nfs/dbraw/zinc/03/30/58/823033058.db2.gz	YETQIGFTZUHKJE-UHFFFAOYSA-N	-1	0	267.313	3.244	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001342638193	936473079	/nfs/dbraw/zinc/47/30/79/936473079.db2.gz	SMIADTHPBROIFG-SECBINFHSA-N	-1	0	260.293	3.081	20	30		CGEDRM
CCc1oc2ccccc2c1C([O-])=C(C#N)c1ccncn1	ZINC001342660321	936473901	/nfs/dbraw/zinc/47/39/01/936473901.db2.gz	UVASUZMSFNZCJI-GFCCVEGCSA-N	-1	0	291.310	3.275	20	30		CGEDRM
CCCCCCCC(=O)N(C)C(C)(C)CC(=O)[O-]	ZINC001347928886	936902296	/nfs/dbraw/zinc/90/22/96/936902296.db2.gz	NVQLAYJLXUSBMY-UHFFFAOYSA-N	-1	0	257.374	3.059	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c([O-])c1	ZINC001453887310	937405331	/nfs/dbraw/zinc/40/53/31/937405331.db2.gz	XUENDGPMMLTOLA-TXEJJXNPSA-N	-1	0	277.751	3.369	20	30		CGEDRM
C=CC(C)(C)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC001456986864	937437040	/nfs/dbraw/zinc/43/70/40/937437040.db2.gz	RERPKEOCNBNHJL-UHFFFAOYSA-N	-1	0	273.254	3.105	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)nc2ccc(Cl)cc21)[C@H](C)S	ZINC001228914424	932050353	/nfs/dbraw/zinc/05/03/53/932050353.db2.gz	XKQKJCNCDDIBMP-RQJHMYQMSA-N	-1	0	284.768	3.074	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231051356	932666013	/nfs/dbraw/zinc/66/60/13/932666013.db2.gz	YHCPMHWHLVLEGS-IONNQARKSA-N	-1	0	296.157	3.445	20	30		CGEDRM
CCCCCCCCCCNC(=O)c1c[n-]ncc1=O	ZINC001465826434	937703716	/nfs/dbraw/zinc/70/37/16/937703716.db2.gz	WEJXWGSQQKAECC-UHFFFAOYSA-N	-1	0	279.384	3.053	20	30		CGEDRM
Cc1cc(C#N)cc(NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC001474179610	937842933	/nfs/dbraw/zinc/84/29/33/937842933.db2.gz	XKBZFYDPXKJPFH-UHFFFAOYSA-N	-1	0	283.287	3.093	20	30		CGEDRM
CSc1cc(F)ccc1NC(=O)c1coc(C#N)c1	ZINC001529660035	938074033	/nfs/dbraw/zinc/07/40/33/938074033.db2.gz	BHZIHZZYGXVCPH-UHFFFAOYSA-N	-1	0	276.292	3.265	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CCCCC1	ZINC001602717635	971370393	/nfs/dbraw/zinc/37/03/93/971370393.db2.gz	VJTBPDRYXUOTCB-KBPBESRZSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C[C@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1	ZINC001602717656	971370534	/nfs/dbraw/zinc/37/05/34/971370534.db2.gz	XGPQNGMWPAZXNO-HVHJFMEUSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=CCCCN1C[C@H](CCC(=O)[O-])Cc2ccccc21	ZINC001602721977	971385080	/nfs/dbraw/zinc/38/50/80/971385080.db2.gz	LORSURRAZDYAHL-CQSZACIVSA-N	-1	0	273.376	3.496	20	30		CGEDRM
N#Cc1ccc(SCC2(CC(=O)[O-])CC2)c(F)c1	ZINC000088113331	958045092	/nfs/dbraw/zinc/04/50/92/958045092.db2.gz	PUKKFKRCNOQRPC-UHFFFAOYSA-N	-1	0	265.309	3.044	20	30		CGEDRM
C=CCCC[C@@H](C(=O)[N-]OCC=C)c1ccccc1	ZINC001569151041	960448591	/nfs/dbraw/zinc/44/85/91/960448591.db2.gz	WAKAGXKEAQLRQB-OAHLLOKOSA-N	-1	0	259.349	3.360	20	30		CGEDRM
C=CCCC1(CNc2ncncc2C(=O)[O-])CCCC1	ZINC001588782484	960491657	/nfs/dbraw/zinc/49/16/57/960491657.db2.gz	VTDYTORRBOZOEG-UHFFFAOYSA-N	-1	0	275.352	3.113	20	30		CGEDRM
C=C[C@H](SC1=Nc2ccccc2CS1)C(=O)[O-]	ZINC001602826471	960549095	/nfs/dbraw/zinc/54/90/95/960549095.db2.gz	BQDMWNXNPLFSDX-JTQLQIEISA-N	-1	0	265.359	3.293	20	30		CGEDRM
C=C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)C	ZINC001602828091	960551934	/nfs/dbraw/zinc/55/19/34/960551934.db2.gz	WCERDNVJQMBQRQ-IJLUTSLNSA-N	-1	0	268.353	3.021	20	30		CGEDRM
N#Cc1ccnc(SCc2cc(C(=O)[O-])ccc2F)c1	ZINC000236458255	960632312	/nfs/dbraw/zinc/63/23/12/960632312.db2.gz	VIQKVJBMNBFHGR-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
C#C[C@@](C)(CC)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001569253732	961725640	/nfs/dbraw/zinc/72/56/40/961725640.db2.gz	PQWBFHHGFBRPGQ-ZDUSSCGKSA-N	-1	0	286.158	3.231	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1	ZINC001573329587	962250400	/nfs/dbraw/zinc/25/04/00/962250400.db2.gz	JFSGYCHHAPBAAL-GFCCVEGCSA-N	-1	0	296.326	3.078	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)NC(C)(C)C(=O)[O-]	ZINC001573841560	962285445	/nfs/dbraw/zinc/28/54/45/962285445.db2.gz	VLIKOIXNDZECFM-LBPRGKRZSA-N	-1	0	271.401	3.353	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1	ZINC001573311744	962710751	/nfs/dbraw/zinc/71/07/51/962710751.db2.gz	GBQGALNAPWXJJO-GFCCVEGCSA-N	-1	0	293.322	3.108	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588444647	962764146	/nfs/dbraw/zinc/76/41/46/962764146.db2.gz	MIDJAYPYTOLHRV-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCC(CC)(CC)CC1	ZINC001573332698	962840516	/nfs/dbraw/zinc/84/05/16/962840516.db2.gz	NNTMHFXXNAYLHF-UHFFFAOYSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(C(=O)[O-])s1	ZINC001573346687	962942694	/nfs/dbraw/zinc/94/26/94/962942694.db2.gz	GJHVMXYVWRPLCM-UHFFFAOYSA-N	-1	0	281.377	3.169	20	30		CGEDRM
Cc1cc(C#N)cc(NCc2ccsc2C(=O)[O-])c1	ZINC000308089419	963257602	/nfs/dbraw/zinc/25/76/02/963257602.db2.gz	IVEFQBMVRTYZFT-UHFFFAOYSA-N	-1	0	272.329	3.239	20	30		CGEDRM
C#CCC1(OC(=O)c2cc(C(=O)[O-])ccc2Cl)CCC1	ZINC001588431098	963266787	/nfs/dbraw/zinc/26/67/87/963266787.db2.gz	GUJFZSSMMSVETF-UHFFFAOYSA-N	-1	0	292.718	3.141	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588530180	963276104	/nfs/dbraw/zinc/27/61/04/963276104.db2.gz	URKSOSPJXYUWGP-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588452694	963276382	/nfs/dbraw/zinc/27/63/82/963276382.db2.gz	QMUZIJWFQJYRPD-KGLIPLIRSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C#CCOc1cccc(N[C@@H](C(=O)[O-])c2ccccc2C)c1	ZINC001588504049	963276896	/nfs/dbraw/zinc/27/68/96/963276896.db2.gz	FIOGSLXLUGCXSE-QGZVFWFLSA-N	-1	0	295.338	3.245	20	30		CGEDRM
C#CCOc1ccccc1NCc1ccc(C(=O)[O-])cc1F	ZINC001588504819	963277186	/nfs/dbraw/zinc/27/71/86/963277186.db2.gz	MKQKKWZGCOPLPS-UHFFFAOYSA-N	-1	0	299.301	3.148	20	30		CGEDRM
C=CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC001588451772	963277913	/nfs/dbraw/zinc/27/79/13/963277913.db2.gz	ACLFAITYWXRXRZ-AWEZNQCLSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CC1CCC(C)(C)CC1)C(=O)[O-]	ZINC001588540930	963282441	/nfs/dbraw/zinc/28/24/41/963282441.db2.gz	PEANZGMLDQIUCA-CYBMUJFWSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)c1cccc(NCc2ccc(C(=O)[O-])n2C)c1	ZINC001588605968	963292938	/nfs/dbraw/zinc/29/29/38/963292938.db2.gz	RVLCFQYQPYHXTO-UHFFFAOYSA-N	-1	0	270.332	3.369	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC001588690666	963296875	/nfs/dbraw/zinc/29/68/75/963296875.db2.gz	HMQHKAKTUPWIQL-ZFWWWQNUSA-N	-1	0	289.375	3.485	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588682051	963296988	/nfs/dbraw/zinc/29/69/88/963296988.db2.gz	IOILTMRHLATBEY-INIZCTEOSA-N	-1	0	275.348	3.488	20	30		CGEDRM
C=CC(C)(C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001588681286	963299361	/nfs/dbraw/zinc/29/93/61/963299361.db2.gz	VHZRDVCGENDCKG-LLVKDONJSA-N	-1	0	290.363	3.036	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588691315	963304214	/nfs/dbraw/zinc/30/42/14/963304214.db2.gz	XNVQRRRKGIWEPS-CZUORRHYSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588719164	963305690	/nfs/dbraw/zinc/30/56/90/963305690.db2.gz	MLBXSXDQONUOIV-LLVKDONJSA-N	-1	0	292.310	3.096	20	30		CGEDRM
C=CCCC[C@@H](C)Nc1nc(C(=O)[O-])c(C)s1	ZINC001588785663	963314056	/nfs/dbraw/zinc/31/40/56/963314056.db2.gz	KENWUIQUWLWJGD-MRVPVSSYSA-N	-1	0	254.355	3.306	20	30		CGEDRM
C=CCCC[C@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC001588788636	963316855	/nfs/dbraw/zinc/31/68/55/963316855.db2.gz	IUAGFDZVGIBNDF-LBPRGKRZSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CCCCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588782558	963317803	/nfs/dbraw/zinc/31/78/03/963317803.db2.gz	IYABFWJXJLNIKR-UHFFFAOYSA-N	-1	0	268.696	3.300	20	30		CGEDRM
C=CC[C@H]1N(C(=O)C(=C)CCC(=O)[O-])CCCC1(C)C	ZINC001588772845	963318387	/nfs/dbraw/zinc/31/83/87/963318387.db2.gz	NVTMMLYVSLXKOW-CYBMUJFWSA-N	-1	0	279.380	3.001	20	30		CGEDRM
C=CCOCCSCc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588868389	963328846	/nfs/dbraw/zinc/32/88/46/963328846.db2.gz	BRBVSULOYWUJCE-UHFFFAOYSA-N	-1	0	286.780	3.474	20	30		CGEDRM
CC#CCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC001588926883	963332078	/nfs/dbraw/zinc/33/20/78/963332078.db2.gz	BHWBJFUGDJKTJT-CQSZACIVSA-N	-1	0	294.734	3.203	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000315248614	963868748	/nfs/dbraw/zinc/86/87/48/963868748.db2.gz	ROYZSILNYICLRM-UHFFFAOYSA-N	-1	0	294.326	3.248	20	30		CGEDRM
CC(C)(C#N)CCCOC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001589554907	964002081	/nfs/dbraw/zinc/00/20/81/964002081.db2.gz	VLUQJWQCRZOASA-UHFFFAOYSA-N	-1	0	293.294	3.011	20	30		CGEDRM
CC(C)(C(=O)[O-])c1cccc(OCC2(CC#N)CC2)c1	ZINC001589650934	964010899	/nfs/dbraw/zinc/01/08/99/964010899.db2.gz	PSYIKLIZFJBBST-UHFFFAOYSA-N	-1	0	273.332	3.121	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001589645339	964013990	/nfs/dbraw/zinc/01/39/90/964013990.db2.gz	XLDAXWRIIAIXMN-ZIAGYGMSSA-N	-1	0	283.412	3.306	20	30		CGEDRM
C#CCCCCCC(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-]	ZINC001588440726	964043215	/nfs/dbraw/zinc/04/32/15/964043215.db2.gz	LXYOPMNNAJKAAS-QGZVFWFLSA-N	-1	0	293.407	3.062	20	30		CGEDRM
CCCCCCCNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001603640682	973984696	/nfs/dbraw/zinc/98/46/96/973984696.db2.gz	MFHPWZRPUCEDBF-UHFFFAOYSA-N	-1	0	269.385	3.108	20	30		CGEDRM
C[C@H](CSCc1cc(Cl)cc(C#N)c1)C(=O)[O-]	ZINC001592826288	979549279	/nfs/dbraw/zinc/54/92/79/979549279.db2.gz	ZERLHQCQQZHBOX-MRVPVSSYSA-N	-1	0	269.753	3.166	20	30		CGEDRM
CCOc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1	ZINC001597056164	986540436	/nfs/dbraw/zinc/54/04/36/986540436.db2.gz	VJTLTQOWXSDQLQ-BQYQJAHWSA-N	-1	0	286.283	3.273	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001594722736	987215725	/nfs/dbraw/zinc/21/57/25/987215725.db2.gz	SYTGHSFGYAVFSK-UHFFFAOYSA-N	-1	0	292.310	3.101	20	30		CGEDRM
CSCCCS[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599800603	988169512	/nfs/dbraw/zinc/16/95/12/988169512.db2.gz	VBQRQQWBVDKCBH-LBPRGKRZSA-N	-1	0	281.402	3.170	20	30		CGEDRM
CCc1oc(CN=Nc2cc(Cl)ccn2)cc1C(=O)[O-]	ZINC001597792746	989336346	/nfs/dbraw/zinc/33/63/46/989336346.db2.gz	IMTWAJWZYSYGAT-UHFFFAOYSA-N	-1	0	293.710	3.035	20	30		CGEDRM
CC(C)C#CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC001590927681	990935468	/nfs/dbraw/zinc/93/54/68/990935468.db2.gz	HYRYOZOYIYYHQE-UHFFFAOYSA-N	-1	0	273.332	3.106	20	30		CGEDRM
C[C@@]1(CN=Nc2ccc(F)c(C(=O)[O-])c2)CCCS1	ZINC001593996419	997306761	/nfs/dbraw/zinc/30/67/61/997306761.db2.gz	UWQIIUBUXLADCZ-ZDUSSCGKSA-N	-1	0	282.340	3.207	20	30		CGEDRM
C[C@@H]1C/C(=C/c2cc(C(=O)[O-])n(C)c2)C(=O)c2ccccc21	ZINC001594196642	998762232	/nfs/dbraw/zinc/76/22/32/998762232.db2.gz	LSWBTMLPSNYDRM-JYVXZMADSA-N	-1	0	295.338	3.497	20	30		CGEDRM
N#CC(=C([O-])c1cccnc1)c1nc2cc(F)ccc2s1	ZINC000592973761	347022305	/nfs/dbraw/zinc/02/23/05/347022305.db2.gz	KDLGPOWBJYAGQD-LLVKDONJSA-N	-1	0	297.314	3.320	20	30		CGEDRM
C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccc(C)c(Cl)c1	ZINC000089287980	345768023	/nfs/dbraw/zinc/76/80/23/345768023.db2.gz	HBGPGJPUJVHZRA-VOTSOKGWSA-N	-1	0	299.779	3.134	20	30		CGEDRM
N#Cc1cccc(SCc2nc(=O)c3sccc3[n-]2)c1	ZINC000177114483	232356179	/nfs/dbraw/zinc/35/61/79/232356179.db2.gz	STUCSVWXYGHWQE-UHFFFAOYSA-N	-1	0	299.380	3.149	20	30		CGEDRM
N#CCCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000594362244	347171394	/nfs/dbraw/zinc/17/13/94/347171394.db2.gz	HFOPOTXBDQFWLR-UHFFFAOYSA-N	-1	0	270.691	3.207	20	30		CGEDRM
C[C@@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@H]1C(=O)[O-]	ZINC000595968004	347373380	/nfs/dbraw/zinc/37/33/80/347373380.db2.gz	CQXWZUJXJMDNFF-BXKDBHETSA-N	-1	0	294.301	3.043	20	30		CGEDRM
CCC(C)(C)c1n[n-]c(=N[C@H](C)c2ccc(C#N)cc2)o1	ZINC000603274135	348067569	/nfs/dbraw/zinc/06/75/69/348067569.db2.gz	JFERSABCZZKOHO-LLVKDONJSA-N	-1	0	284.363	3.224	20	30		CGEDRM
CCC(C)(C)c1n[n-]c(=N[C@@H](C)c2cccc(C#N)c2)o1	ZINC000603299721	348068806	/nfs/dbraw/zinc/06/88/06/348068806.db2.gz	KLHDGNXQODWMII-NSHDSACASA-N	-1	0	284.363	3.224	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000630228820	350818395	/nfs/dbraw/zinc/81/83/95/350818395.db2.gz	GKXYZVPPDJCSQY-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634853865	351596704	/nfs/dbraw/zinc/59/67/04/351596704.db2.gz	GZXJPMBDMXXFGD-HNNXBMFYSA-N	-1	0	295.404	3.154	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)CC(CC)(CC)C(=O)[O-])C1	ZINC000634928640	351604884	/nfs/dbraw/zinc/60/48/84/351604884.db2.gz	RXDGCBMPPGVNQP-ZDUSSCGKSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CCN(C(=O)[C@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000634939227	351606330	/nfs/dbraw/zinc/60/63/30/351606330.db2.gz	DOLUYTCSLXRMNE-MRXNPFEDSA-N	-1	0	275.348	3.097	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CCCC1(C)C	ZINC000634936903	351606610	/nfs/dbraw/zinc/60/66/10/351606610.db2.gz	WCRPXXJPXMQKSQ-RDBSUJKOSA-N	-1	0	293.407	3.081	20	30		CGEDRM
Cc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1C#N	ZINC000435750729	236978029	/nfs/dbraw/zinc/97/80/29/236978029.db2.gz	ZFERFMYDLOACMW-ZZXKWVIFSA-N	-1	0	289.294	3.002	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000191383845	542259907	/nfs/dbraw/zinc/25/99/07/542259907.db2.gz	WUOUESUHTGZBKU-UHFFFAOYSA-N	-1	0	265.334	3.153	20	30		CGEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000016146779	368708739	/nfs/dbraw/zinc/70/87/39/368708739.db2.gz	TZNCXWUKISCVBJ-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc3ccccc3n2)n1	ZINC000041520421	369189548	/nfs/dbraw/zinc/18/95/48/369189548.db2.gz	PFUOZUIDKYPDEU-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)s2)n1	ZINC000041520405	369189642	/nfs/dbraw/zinc/18/96/42/369189642.db2.gz	ROOKFNKQMRMIJT-VIFPVBQESA-N	-1	0	262.359	3.312	20	30		CGEDRM
CCCCCC[C@@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000069376548	369757507	/nfs/dbraw/zinc/75/75/07/369757507.db2.gz	SEMZHCGORWQFAS-LLVKDONJSA-N	-1	0	287.367	3.088	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nccc3ccccc32)n1	ZINC000073087302	369849252	/nfs/dbraw/zinc/84/92/52/369849252.db2.gz	SXDSLIGUCWKASF-CYBMUJFWSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)oc1CC	ZINC000487916260	375284926	/nfs/dbraw/zinc/28/49/26/375284926.db2.gz	LDUZEMJWHNEWCA-ZDUSSCGKSA-N	-1	0	297.358	3.301	20	30		CGEDRM
Cc1c(Cl)cccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000189759081	375444310	/nfs/dbraw/zinc/44/43/10/375444310.db2.gz	GFWKXSBUMANTON-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1	ZINC000335847855	375480825	/nfs/dbraw/zinc/48/08/25/375480825.db2.gz	VYSQBBXXGIZKNC-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000192862149	375796610	/nfs/dbraw/zinc/79/66/10/375796610.db2.gz	HHUHHHKFPUVJFL-ZFWWWQNUSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CCc1c(C)sc(NC(=O)c2ncoc2C)c1C#N	ZINC000336575620	375844150	/nfs/dbraw/zinc/84/41/50/375844150.db2.gz	TYNFHXBRMOJBTE-UHFFFAOYSA-N	-1	0	275.333	3.039	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccnc(C#N)c2)n1	ZINC000193635796	375900250	/nfs/dbraw/zinc/90/02/50/375900250.db2.gz	WNYVAXKFUWKZMJ-LBPRGKRZSA-N	-1	0	296.355	3.023	20	30		CGEDRM
C=CCCC[C@H](C)N=c1[n-]nc(C2CCOCC2)s1	ZINC000338690125	376482031	/nfs/dbraw/zinc/48/20/31/376482031.db2.gz	SJWWJSGWIGKPHD-NSHDSACASA-N	-1	0	281.425	3.011	20	30		CGEDRM
Cc1ccc(-c2noc(=NCC3CCC(C#N)CC3)[n-]2)cc1	ZINC000572201980	377547992	/nfs/dbraw/zinc/54/79/92/377547992.db2.gz	HFSXZALPNOHQRF-UHFFFAOYSA-N	-1	0	296.374	3.209	20	30		CGEDRM
C=CCCCCCN(C)C(=O)N=c1nc(CCC)[n-]s1	ZINC000572684915	377550726	/nfs/dbraw/zinc/55/07/26/377550726.db2.gz	YOFFAOJOKSHULQ-UHFFFAOYSA-N	-1	0	296.440	3.123	20	30		CGEDRM
C=CCCCCN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000578644809	378088533	/nfs/dbraw/zinc/08/85/33/378088533.db2.gz	JAHZHIRJDCVCDL-CQSZACIVSA-N	-1	0	259.349	3.421	20	30		CGEDRM
CCc1nc(C(C)C)ccc1C([O-])=C(C#N)c1ccncn1	ZINC000345989210	378433049	/nfs/dbraw/zinc/43/30/49/378433049.db2.gz	GZKRTDOMYBXHSV-ZDUSSCGKSA-N	-1	0	294.358	3.047	20	30		CGEDRM
C=CCN(C(=O)CCCc1ccc(O)c(F)c1)C1CC1	ZINC000346634340	378655201	/nfs/dbraw/zinc/65/52/01/378655201.db2.gz	NJCOTXSRPHENGY-UHFFFAOYSA-N	-1	0	277.339	3.031	20	30		CGEDRM
CC[C@H](C)Oc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1	ZINC000354459369	380447900	/nfs/dbraw/zinc/44/79/00/380447900.db2.gz	DQZXLVXSMFJCNO-WFASDCNBSA-N	-1	0	295.342	3.144	20	30		CGEDRM
N#C[C@H](C(=O)c1csc2ccccc12)c1ccncn1	ZINC000354459511	380448214	/nfs/dbraw/zinc/44/82/14/380448214.db2.gz	DFGHNAZJDLMQHS-NSHDSACASA-N	-1	0	279.324	3.181	20	30		CGEDRM
CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1C	ZINC000355106770	380576536	/nfs/dbraw/zinc/57/65/36/380576536.db2.gz	PXQFBVRPRMFABU-GFCCVEGCSA-N	-1	0	293.326	3.219	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(C)C)cn2)n1	ZINC000355130316	380588778	/nfs/dbraw/zinc/58/87/78/380588778.db2.gz	HIOBUQMGEFPYDY-GFCCVEGCSA-N	-1	0	285.372	3.460	20	30		CGEDRM
C[C@@H](CC(=O)[O-])c1ccc(NCc2cc(C#N)n(C)c2)cc1	ZINC000417611288	380649917	/nfs/dbraw/zinc/64/99/17/380649917.db2.gz	OUJORBKNVOTHIV-LBPRGKRZSA-N	-1	0	297.358	3.087	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1cc(C(F)(F)F)ccn1	ZINC000362179002	381898427	/nfs/dbraw/zinc/89/84/27/381898427.db2.gz	FCMFSWYHYRFZMF-VIFPVBQESA-N	-1	0	280.205	3.183	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000192918241	130562484	/nfs/dbraw/zinc/56/24/84/130562484.db2.gz	UQNSYLJTWLZLFG-STQMWFEESA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C	ZINC000263153968	131284550	/nfs/dbraw/zinc/28/45/50/131284550.db2.gz	UYFPMGHXOKPAHI-IUODEOHRSA-N	-1	0	289.375	3.148	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1nc(C2CC2)cs1	ZINC000647373938	392710653	/nfs/dbraw/zinc/71/06/53/392710653.db2.gz	SHTKBIPNCUQGCO-SNVBAGLBSA-N	-1	0	258.302	3.104	20	30		CGEDRM
CCN=c1[n-]nc(SCCC2(C#N)CCCCC2)s1	ZINC000412984365	393015085	/nfs/dbraw/zinc/01/50/85/393015085.db2.gz	BZJKOZDVBKHSLV-UHFFFAOYSA-N	-1	0	296.465	3.348	20	30		CGEDRM
N#CCCN(Cc1cccc(O)c1Cl)CC1CC1	ZINC000351401021	393188116	/nfs/dbraw/zinc/18/81/16/393188116.db2.gz	SLTAAGOURAGXGG-UHFFFAOYSA-N	-1	0	264.756	3.171	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C(F)(F)F)s1)c1ccncn1	ZINC000671777301	543189292	/nfs/dbraw/zinc/18/92/92/543189292.db2.gz	ZWFYXTRSXNCVHG-ZETCQYMHSA-N	-1	0	297.261	3.047	20	30		CGEDRM
C=C(C)CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000652430581	418967036	/nfs/dbraw/zinc/96/70/36/418967036.db2.gz	OQZGAZUOFZNBFB-GFCCVEGCSA-N	-1	0	271.719	3.113	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21	ZINC000659193860	418964326	/nfs/dbraw/zinc/96/43/26/418964326.db2.gz	QZAWJJHIFMITBH-ZQDZILKHSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CCCCCCNC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000653473746	419032261	/nfs/dbraw/zinc/03/22/61/419032261.db2.gz	LVROSPREDKLNIM-OAHLLOKOSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=C(C)CN(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000654986743	419012928	/nfs/dbraw/zinc/01/29/28/419012928.db2.gz	SYSIWQTWDQXBJH-UHFFFAOYSA-N	-1	0	273.254	3.059	20	30		CGEDRM
C=CCC[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-]	ZINC000656491552	419178326	/nfs/dbraw/zinc/17/83/26/419178326.db2.gz	ORSARPPFYMYIHC-RBSFLKMASA-N	-1	0	293.407	3.129	20	30		CGEDRM
Cc1ncccc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000178325267	261385408	/nfs/dbraw/zinc/38/54/08/261385408.db2.gz	FUCKTVQIXBVFCG-LBPRGKRZSA-N	-1	0	285.372	3.460	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1[O-]	ZINC000188214868	262285398	/nfs/dbraw/zinc/28/53/98/262285398.db2.gz	KIFDIYQBWRWQEI-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CC[C@H](C#N)S(=O)(=O)Nc1cc(Cl)ccc1Cl	ZINC000088474714	263053898	/nfs/dbraw/zinc/05/38/98/263053898.db2.gz	SVPWAKAXSDHFHZ-MRVPVSSYSA-N	-1	0	293.175	3.037	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccnn2C(C)C)c([O-])c1	ZINC000279946417	263058178	/nfs/dbraw/zinc/05/81/78/263058178.db2.gz	ATMHUHBJYOITSN-FNORWQNLSA-N	-1	0	270.332	3.374	20	30		CGEDRM
N#Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1[O-]	ZINC000188639013	264238019	/nfs/dbraw/zinc/23/80/19/264238019.db2.gz	GYSXWXICRQOKMF-UHFFFAOYSA-N	-1	0	292.338	3.321	20	30		CGEDRM
CCc1ccc(C(=O)[O-])cc1NCc1ccc(C#N)cc1	ZINC000556322420	289386483	/nfs/dbraw/zinc/38/64/83/289386483.db2.gz	XZZVEEBVUZOJGT-UHFFFAOYSA-N	-1	0	280.327	3.431	20	30		CGEDRM
COc1ccc(-c2cc(C(=O)[O-])n(C(C)C)c2)c(C#N)c1	ZINC000568902203	322227254	/nfs/dbraw/zinc/22/72/54/322227254.db2.gz	YPODYVREKLATHC-UHFFFAOYSA-N	-1	0	284.315	3.314	20	30		CGEDRM
Cc1cncc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1	ZINC000418903502	329682514	/nfs/dbraw/zinc/68/25/14/329682514.db2.gz	RSEKIDXUHFQULA-UHFFFAOYSA-N	-1	0	298.390	3.094	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000262889756	330036244	/nfs/dbraw/zinc/03/62/44/330036244.db2.gz	AGCJUASMCKFTSA-GFCCVEGCSA-N	-1	0	275.348	3.245	20	30		CGEDRM
N#C[C@H]1CCC[C@H](Nc2cccc(CCC(=O)[O-])c2)C1	ZINC000263490660	330057620	/nfs/dbraw/zinc/05/76/20/330057620.db2.gz	ILIQOCVIAGEORG-ZFWWWQNUSA-N	-1	0	272.348	3.198	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000263539369	330059102	/nfs/dbraw/zinc/05/91/02/330059102.db2.gz	QDFPESOGYCDQNF-ZDUSSCGKSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=CCCC[C@H](C)Sc1n[n-]c(=NC2CC2)s1	ZINC000537070701	330396377	/nfs/dbraw/zinc/39/63/77/330396377.db2.gz	OKIDKYDHQRYMNT-VIFPVBQESA-N	-1	0	269.439	3.371	20	30		CGEDRM
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccco2)c1	ZINC000437679555	330706440	/nfs/dbraw/zinc/70/64/40/330706440.db2.gz	YSJDQVYVUJSQCY-UHFFFAOYSA-N	-1	0	293.344	3.035	20	30		CGEDRM
C=CCCCCCN=c1[n-]nc(C(F)(F)F)s1	ZINC000565961784	334612667	/nfs/dbraw/zinc/61/26/67/334612667.db2.gz	ODKFPCCYLLTBCB-UHFFFAOYSA-N	-1	0	265.304	3.137	20	30		CGEDRM
CC(=CC=Cc1ccc(F)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193608858	335978362	/nfs/dbraw/zinc/97/83/62/335978362.db2.gz	PINKJXDBGXLLKK-KFHPBGSASA-N	-1	0	295.317	3.206	20	30		CGEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1C	ZINC000192769569	527204819	/nfs/dbraw/zinc/20/48/19/527204819.db2.gz	QSWQWRLJOPGOOA-CQSZACIVSA-N	-1	0	298.367	3.453	20	30		CGEDRM
CCSCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354471647	529198983	/nfs/dbraw/zinc/19/89/83/529198983.db2.gz	SSCFBSQKPICSIT-CQSZACIVSA-N	-1	0	297.383	3.220	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)c(F)c1	ZINC000728428656	571805022	/nfs/dbraw/zinc/80/50/22/571805022.db2.gz	AAGJNYCFAKKYIS-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1F	ZINC000729144077	571878742	/nfs/dbraw/zinc/87/87/42/571878742.db2.gz	ASUADSNGDJSUNJ-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cccc(F)c2)cs1	ZINC000730148375	571951679	/nfs/dbraw/zinc/95/16/79/571951679.db2.gz	FTCZYSWYVJECOF-PLNGDYQASA-N	-1	0	276.288	3.482	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cccc(O)c2)cs1	ZINC000730148358	571951725	/nfs/dbraw/zinc/95/17/25/571951725.db2.gz	FGOZSTBLQASCGJ-SNAWJCMRSA-N	-1	0	274.297	3.048	20	30		CGEDRM
CN(Cc1ccc(NCc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000737486713	572347418	/nfs/dbraw/zinc/34/74/18/572347418.db2.gz	VDZHVBWAYQATBW-UHFFFAOYSA-N	-1	0	295.342	3.280	20	30		CGEDRM
CC(=NNc1cnnc([O-])c1Cl)C1CCCCC1	ZINC000730568251	572363396	/nfs/dbraw/zinc/36/33/96/572363396.db2.gz	RXTBMLXRYUORIM-UHFFFAOYSA-N	-1	0	268.748	3.204	20	30		CGEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCCc3ccccc32)cc1	ZINC000739105021	572402216	/nfs/dbraw/zinc/40/22/16/572402216.db2.gz	IUKDNOMUCBZEBJ-KRWDZBQOSA-N	-1	0	292.338	3.137	20	30		CGEDRM
N#Cc1ccc([C@H](SCc2ccco2)C(=O)[O-])cc1	ZINC000739119238	572402731	/nfs/dbraw/zinc/40/27/31/572402731.db2.gz	WBPSHMVZVYQTEL-ZDUSSCGKSA-N	-1	0	273.313	3.210	20	30		CGEDRM
N#Cc1ccc(SCc2ccc(C(=O)[O-])o2)c(F)c1	ZINC000739132438	572403071	/nfs/dbraw/zinc/40/30/71/572403071.db2.gz	QRUICLDKYZEODV-UHFFFAOYSA-N	-1	0	277.276	3.281	20	30		CGEDRM
O=C([O-])CCc1ccc(N=Cc2ccccc2O)cc1	ZINC000739753430	572423332	/nfs/dbraw/zinc/42/33/32/572423332.db2.gz	IAJBLYKXAOGPCN-UHFFFAOYSA-N	-1	0	269.300	3.160	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000740315139	572439400	/nfs/dbraw/zinc/43/94/00/572439400.db2.gz	LHHZPKLDCNXTLU-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
Cc1ncsc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000743417660	572657961	/nfs/dbraw/zinc/65/79/61/572657961.db2.gz	MMEDPMNYCYLJOC-UHFFFAOYSA-N	-1	0	295.751	3.249	20	30		CGEDRM
Cc1ccoc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000743417041	572658437	/nfs/dbraw/zinc/65/84/37/572658437.db2.gz	FFCAJSXYFITSIN-UHFFFAOYSA-N	-1	0	278.695	3.386	20	30		CGEDRM
C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nnc1C1CC1	ZINC000736118473	572768824	/nfs/dbraw/zinc/76/88/24/572768824.db2.gz	TYLWBVNMOAQKMQ-NSHDSACASA-N	-1	0	295.408	3.077	20	30		CGEDRM
CC(=NNc1cnnc([O-])c1Cl)C1C(C)(C)C1(C)C	ZINC000746566184	572880391	/nfs/dbraw/zinc/88/03/91/572880391.db2.gz	SILWPSZCEOEDMR-UHFFFAOYSA-N	-1	0	282.775	3.306	20	30		CGEDRM
O=[N+]([O-])c1ccc(C=NNc2cc(F)cc(F)c2)cc1[O-]	ZINC000748133813	572962473	/nfs/dbraw/zinc/96/24/73/572962473.db2.gz	RASQUZVYIBOHHJ-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000748440998	572977186	/nfs/dbraw/zinc/97/71/86/572977186.db2.gz	ULPHKISOPNHJJI-OWOJBTEDSA-N	-1	0	289.337	3.276	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000398062342	598186918	/nfs/dbraw/zinc/18/69/18/598186918.db2.gz	CPCVGVIEYJLFGQ-GFCCVEGCSA-N	-1	0	290.363	3.180	20	30		CGEDRM
Cc1ncsc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774117518	598201620	/nfs/dbraw/zinc/20/16/20/598201620.db2.gz	DVNZNADIMWQXAD-WAYWQWQTSA-N	-1	0	273.313	3.046	20	30		CGEDRM
C#Cc1cccc(N(CC)C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000236800244	599913653	/nfs/dbraw/zinc/91/36/53/599913653.db2.gz	SHFWMLCCPJLIQT-UHFFFAOYSA-N	-1	0	293.322	3.033	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)C(C)C	ZINC000162367372	600010821	/nfs/dbraw/zinc/01/08/21/600010821.db2.gz	QMOIPUQQZXKVDC-UHFFFAOYSA-N	-1	0	276.336	3.122	20	30		CGEDRM
N#Cc1ccccc1S[C@H](C(=O)[O-])c1ccccc1	ZINC000833076673	600729485	/nfs/dbraw/zinc/72/94/85/600729485.db2.gz	LWKWXXUTJJKJTA-AWEZNQCLSA-N	-1	0	269.325	3.476	20	30		CGEDRM
C[C@H](Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827773122	600737741	/nfs/dbraw/zinc/73/77/41/600737741.db2.gz	ABQNGIYSZSRBRK-LBPRGKRZSA-N	-1	0	296.326	3.195	20	30		CGEDRM
O=C([O-])c1occc1/C=C1/Cc2cc(Cl)ccc2C1=O	ZINC000833354711	600830787	/nfs/dbraw/zinc/83/07/87/600830787.db2.gz	BZZJDVZDLHSTLQ-YHYXMXQVSA-N	-1	0	288.686	3.454	20	30		CGEDRM
CCCCC[C@H](Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000829348477	601383608	/nfs/dbraw/zinc/38/36/08/601383608.db2.gz	RSCGAHYNWZMLOP-NSHDSACASA-N	-1	0	281.743	3.052	20	30		CGEDRM
N#Cc1ccc(SCc2occc2C(=O)[O-])cc1	ZINC000833073417	601406792	/nfs/dbraw/zinc/40/67/92/601406792.db2.gz	BASLRASJJOYPQE-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1	ZINC000829618542	601444488	/nfs/dbraw/zinc/44/44/88/601444488.db2.gz	DZPVOGIDSHDNGB-CSKARUKUSA-N	-1	0	299.326	3.330	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccccc2Cl)c[nH]1	ZINC000833297138	601791460	/nfs/dbraw/zinc/79/14/60/601791460.db2.gz	BRMZWSFVVOYSNR-AATRIKPKSA-N	-1	0	275.691	3.262	20	30		CGEDRM
CC(C)(C#N)CCCNc1ccc(CCC(=O)[O-])cc1	ZINC000826070938	601908164	/nfs/dbraw/zinc/90/81/64/601908164.db2.gz	GSLFYXZZYMTZSJ-UHFFFAOYSA-N	-1	0	274.364	3.446	20	30		CGEDRM
Cc1cc(CSc2cccc(C#N)c2)oc1C(=O)[O-]	ZINC000832885531	602290211	/nfs/dbraw/zinc/29/02/11/602290211.db2.gz	UOXFRLOYXNHWHH-UHFFFAOYSA-N	-1	0	273.313	3.450	20	30		CGEDRM
C=CC1CCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)CC1	ZINC000823491590	602906601	/nfs/dbraw/zinc/90/66/01/602906601.db2.gz	XXAZZANOAJVVCJ-UHFFFAOYSA-N	-1	0	288.347	3.123	20	30		CGEDRM
CCn1cc(/C=C/C(=O)c2ccc(C)cc2[O-])c(C)n1	ZINC000899363545	620659634	/nfs/dbraw/zinc/65/96/34/620659634.db2.gz	PCXHWRYQHNSDPY-SOFGYWHQSA-N	-1	0	270.332	3.122	20	30		CGEDRM
O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc(F)cc1[O-]	ZINC000899363433	620658682	/nfs/dbraw/zinc/65/86/82/620658682.db2.gz	MLVKXKNVYNEKLD-QPJJXVBHSA-N	-1	0	286.306	3.349	20	30		CGEDRM
CC(=NNc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000825808800	604632849	/nfs/dbraw/zinc/63/28/49/604632849.db2.gz	DOFXCHRMHUJVTP-UHFFFAOYSA-N	-1	0	254.289	3.221	20	30		CGEDRM
CC(=NOCC(F)(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814881507	604641885	/nfs/dbraw/zinc/64/18/85/604641885.db2.gz	YFUFVZIRFIUVCU-QMMMGPOBSA-N	-1	0	269.263	3.222	20	30		CGEDRM
CC(C)Oc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763369688	604666719	/nfs/dbraw/zinc/66/67/19/604666719.db2.gz	JELTUCWFSWPQCF-UHFFFAOYSA-N	-1	0	299.330	3.013	20	30		CGEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1C	ZINC000763371514	604668509	/nfs/dbraw/zinc/66/85/09/604668509.db2.gz	CWHGWPHVSHVDPT-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC000833369644	604709585	/nfs/dbraw/zinc/70/95/85/604709585.db2.gz	BSNULJRLISIDMW-UHFFFAOYSA-N	-1	0	292.306	3.336	20	30		CGEDRM
C=CCCCCCN(C)C(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833374092	604756281	/nfs/dbraw/zinc/75/62/81/604756281.db2.gz	RDVVXEOYZINYIF-UHFFFAOYSA-N	-1	0	289.375	3.132	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CC1	ZINC000162392698	604927376	/nfs/dbraw/zinc/92/73/76/604927376.db2.gz	BOXVDUXIVFNTFK-UHFFFAOYSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833374060	605021875	/nfs/dbraw/zinc/02/18/75/605021875.db2.gz	PRHZYFJACORLOA-AVGNSLFASA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=CCCC[C@@H](C)OC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833373946	605119151	/nfs/dbraw/zinc/11/91/51/605119151.db2.gz	KKEANBHAMRPXNH-PNESKVBLSA-N	-1	0	268.353	3.165	20	30		CGEDRM
CC1(C)CCC/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000757531048	605145438	/nfs/dbraw/zinc/14/54/38/605145438.db2.gz	XYLSDEPOWBEDFO-RAXLEYEMSA-N	-1	0	288.343	3.313	20	30		CGEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1cc(Cl)ccn1	ZINC000833804620	605387998	/nfs/dbraw/zinc/38/79/98/605387998.db2.gz	WTYVDHGZJRPUTC-LLVKDONJSA-N	-1	0	296.758	3.055	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000135300944	605393202	/nfs/dbraw/zinc/39/32/02/605393202.db2.gz	GGHLLCWSPIBPLQ-UHFFFAOYSA-N	-1	0	282.365	3.103	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000135302709	605399253	/nfs/dbraw/zinc/39/92/53/605399253.db2.gz	FKHYUWPEUOKFBQ-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
CCc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)o1	ZINC000752157697	605592508	/nfs/dbraw/zinc/59/25/08/605592508.db2.gz	ODJSVACYDIGZHB-UHFFFAOYSA-N	-1	0	272.304	3.376	20	30		CGEDRM
C#CCCCSCc1cc(C(=O)[O-])ccc1F	ZINC000833362525	605788103	/nfs/dbraw/zinc/78/81/03/605788103.db2.gz	WSAZYWMBOFYRRK-UHFFFAOYSA-N	-1	0	252.310	3.171	20	30		CGEDRM
C#Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c(Cl)c1	ZINC000899841516	620731182	/nfs/dbraw/zinc/73/11/82/620731182.db2.gz	CDQPXWOXALBSED-UHFFFAOYSA-N	-1	0	293.750	3.151	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1	ZINC000899856187	620732806	/nfs/dbraw/zinc/73/28/06/620732806.db2.gz	NGYHFUXEWVDBCN-LSDHHAIUSA-N	-1	0	285.343	3.325	20	30		CGEDRM
[O-]c1c(Br)cccc1C=NOC/C=C/Cl	ZINC000811670450	617711415	/nfs/dbraw/zinc/71/14/15/617711415.db2.gz	SKZQSOJGTVGBCT-UDZNDURXSA-N	-1	0	290.544	3.258	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC/C=C/Cl)CCC2	ZINC000811672206	617717155	/nfs/dbraw/zinc/71/71/55/617717155.db2.gz	SSCKOTUFULDCSY-LPTQTZJXSA-N	-1	0	283.711	3.096	20	30		CGEDRM
O=C(/C=C\c1cccc2nccn21)c1ccc([O-])c(F)c1	ZINC000255005522	617723732	/nfs/dbraw/zinc/72/37/32/617723732.db2.gz	ISRCAXLOVDZBEK-ALCCZGGFSA-N	-1	0	282.274	3.075	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000900319579	620780423	/nfs/dbraw/zinc/78/04/23/620780423.db2.gz	DHAYVEXFMZWGDO-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1cc(F)ccc1C)C(=O)[O-]	ZINC000900323212	620781250	/nfs/dbraw/zinc/78/12/50/620781250.db2.gz	XDFHHYYKVDQUEX-GFCCVEGCSA-N	-1	0	294.326	3.065	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000073087481	618194677	/nfs/dbraw/zinc/19/46/77/618194677.db2.gz	OVNQICCXAOYEFF-UHFFFAOYSA-N	-1	0	293.388	3.177	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cccs1	ZINC000255332550	618207826	/nfs/dbraw/zinc/20/78/26/618207826.db2.gz	GXBKGXSEBMVNNR-XQRVVYSFSA-N	-1	0	275.285	3.258	20	30		CGEDRM
C=CCOc1cccc(N=Cc2ccc(O)c(O)c2O)c1	ZINC000255556803	618670207	/nfs/dbraw/zinc/67/02/07/618670207.db2.gz	CESPXAZBFPQLLV-UHFFFAOYSA-N	-1	0	285.299	3.119	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(F)c(F)cc2F)c1	ZINC000255865692	618812116	/nfs/dbraw/zinc/81/21/16/618812116.db2.gz	UUGIPUXEZZGIPT-UHFFFAOYSA-N	-1	0	296.204	3.468	20	30		CGEDRM
Cc1noc(C)c1[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000072613692	625315704	/nfs/dbraw/zinc/31/57/04/625315704.db2.gz	CIHGBENATBFDDZ-CUXJQWCSSA-N	-1	0	289.291	3.085	20	30		CGEDRM
Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cnn1C(C)C	ZINC000188888262	619088307	/nfs/dbraw/zinc/08/83/07/619088307.db2.gz	JWKBZCYERNHIGF-RMKNXTFCSA-N	-1	0	298.342	3.367	20	30		CGEDRM
C=CC[N@@H+](CCOc1ccc(C(C)C)c(C)c1)CC(=O)[O-]	ZINC000092465941	619095014	/nfs/dbraw/zinc/09/50/14/619095014.db2.gz	BIAGUNZFYWOUHG-UHFFFAOYSA-N	-1	0	291.391	3.070	20	30		CGEDRM
C[C@H]1CC(=NOCc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814791395	619424113	/nfs/dbraw/zinc/42/41/13/619424113.db2.gz	GDKNYUCDFCRHFK-SMDDNHRTSA-N	-1	0	261.321	3.080	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)c(C)c1	ZINC000049135067	619701617	/nfs/dbraw/zinc/70/16/17/619701617.db2.gz	LQEHVSBEIQOWBH-NSHDSACASA-N	-1	0	295.404	3.385	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC1CCC1	ZINC000079137367	620076002	/nfs/dbraw/zinc/07/60/02/620076002.db2.gz	ZMGHJYCKRDIPII-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000237978817	620539207	/nfs/dbraw/zinc/53/92/07/620539207.db2.gz	HOKPLMRKWIEOFS-CQSZACIVSA-N	-1	0	279.380	3.001	20	30		CGEDRM
CCNN=C(CC)c1ccc(OCCCCC(=O)[O-])cc1	ZINC000901282592	620848292	/nfs/dbraw/zinc/84/82/92/620848292.db2.gz	MFSIDMHRJOPHSR-UHFFFAOYSA-N	-1	0	292.379	3.044	20	30		CGEDRM
C[C@H]1C(=NNC2CCC(F)(F)CC2)CC[C@H]1CC(=O)[O-]	ZINC000901340800	620857180	/nfs/dbraw/zinc/85/71/80/620857180.db2.gz	NISRVQVRRYSZEO-ZJUUUORDSA-N	-1	0	288.338	3.031	20	30		CGEDRM
C[C@H]1CC(=NNC2CCC(F)(F)CC2)CC[C@@H]1C(=O)[O-]	ZINC000901341040	620857874	/nfs/dbraw/zinc/85/78/74/620857874.db2.gz	TXVVNALZKAWWTP-CABZTGNLSA-N	-1	0	288.338	3.031	20	30		CGEDRM
CCn1nc(C)c(/C=C\C(=O)c2c([O-])cccc2F)c1C	ZINC000901561403	620929591	/nfs/dbraw/zinc/92/95/91/620929591.db2.gz	QWZMTPAYKLYTPX-HJWRWDBZSA-N	-1	0	288.322	3.261	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000907582614	622302370	/nfs/dbraw/zinc/30/23/70/622302370.db2.gz	SHAJYGVWXGUJMH-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907985481	622322621	/nfs/dbraw/zinc/32/26/21/622322621.db2.gz	WRFUAGUNBYUUSW-UHFFFAOYSA-N	-1	0	285.343	3.042	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908277364	622339826	/nfs/dbraw/zinc/33/98/26/622339826.db2.gz	LHLMJINOIJLSTH-OAHLLOKOSA-N	-1	0	293.407	3.152	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000909295276	622414070	/nfs/dbraw/zinc/41/40/70/622414070.db2.gz	DMNPISBLENJEEN-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C#CCCCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909836020	622429973	/nfs/dbraw/zinc/42/99/73/622429973.db2.gz	ZJFBSBJATPHIRJ-GFCCVEGCSA-N	-1	0	273.332	3.007	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)CC2(CC(=O)[O-])CCCC2)c1	ZINC000911338562	622530976	/nfs/dbraw/zinc/53/09/76/622530976.db2.gz	CVPUAHHTDBIWTF-UHFFFAOYSA-N	-1	0	299.370	3.056	20	30		CGEDRM
O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccccc2)c1	ZINC000060212424	623032672	/nfs/dbraw/zinc/03/26/72/623032672.db2.gz	RNXIZJDGYYUJFZ-MDZDMXLPSA-N	-1	0	296.322	3.436	20	30		CGEDRM
CC(C)(CCC(=O)[O-])Nc1ccc(C#N)c(Cl)c1	ZINC000061845397	623181989	/nfs/dbraw/zinc/18/19/89/623181989.db2.gz	VCFVRGKIBLMEJZ-UHFFFAOYSA-N	-1	0	266.728	3.267	20	30		CGEDRM
CCCCNN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000915969750	624085508	/nfs/dbraw/zinc/08/55/08/624085508.db2.gz	PGVGXRDKUOGTFJ-UHFFFAOYSA-N	-1	0	261.152	3.423	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-]	ZINC000916240750	624125708	/nfs/dbraw/zinc/12/57/08/624125708.db2.gz	OSBSYVNKOCLNFY-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
Cc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000916255382	624126430	/nfs/dbraw/zinc/12/64/30/624126430.db2.gz	WXISQISFKNRNEL-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000033490795	624340164	/nfs/dbraw/zinc/34/01/64/624340164.db2.gz	KPMINPOGCINJET-FPLPWBNLSA-N	-1	0	299.282	3.205	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1CC1	ZINC000920106211	624448310	/nfs/dbraw/zinc/44/83/10/624448310.db2.gz	VAYRNEQMJJIJTM-ZDUSSCGKSA-N	-1	0	280.327	3.168	20	30		CGEDRM
C[C@H](NN=Cc1ccccc1C(=O)[O-])c1ccccc1	ZINC000920382832	624486209	/nfs/dbraw/zinc/48/62/09/624486209.db2.gz	PLDHKAKDUUQTNM-LBPRGKRZSA-N	-1	0	268.316	3.070	20	30		CGEDRM
CC[C@@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)C(C)C	ZINC000086056704	625981262	/nfs/dbraw/zinc/98/12/62/625981262.db2.gz	GKPIJPDAAOTWBI-NSHDSACASA-N	-1	0	275.414	3.288	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000013343394	626003388	/nfs/dbraw/zinc/00/33/88/626003388.db2.gz	MHIVVIRGAGOSGU-RMKNXTFCSA-N	-1	0	297.266	3.189	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000923059414	626126189	/nfs/dbraw/zinc/12/61/89/626126189.db2.gz	OMHCFKJDVWNLGW-JXMROGBWSA-N	-1	0	286.331	3.053	20	30		CGEDRM
CC1(C)CCC/C(=C/c2cccc(OCC(=O)[O-])c2)C1=O	ZINC000757533693	626785711	/nfs/dbraw/zinc/78/57/11/626785711.db2.gz	HVPLPVJGXMOAFL-LCYFTJDESA-N	-1	0	288.343	3.313	20	30		CGEDRM
O=C([O-])c1ccc(C=NOCc2ccc(F)cc2)cc1	ZINC000758144139	626830927	/nfs/dbraw/zinc/83/09/27/626830927.db2.gz	JRWFNVRVTFRKPF-UHFFFAOYSA-N	-1	0	273.263	3.075	20	30		CGEDRM
CCC(C[C@@H](C)CC)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367711	627153854	/nfs/dbraw/zinc/15/38/54/627153854.db2.gz	GEYJFZZLOUSECV-JTQLQIEISA-N	-1	0	263.341	3.394	20	30		CGEDRM
CC(C)O[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C1(C)C	ZINC000764884750	627231647	/nfs/dbraw/zinc/23/16/47/627231647.db2.gz	FWWKOVRIJSOIPL-CQSZACIVSA-N	-1	0	290.363	3.376	20	30		CGEDRM
CON=C(C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000767490692	627411438	/nfs/dbraw/zinc/41/14/38/627411438.db2.gz	IRRKRLYTMIOSHE-UHFFFAOYSA-N	-1	0	259.261	3.015	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCC(F)(F)C2)c1	ZINC000767691333	627429112	/nfs/dbraw/zinc/42/91/12/627429112.db2.gz	TUPJYTXTLUIIGE-LYQMGENXSA-N	-1	0	284.262	3.297	20	30		CGEDRM
C[C@H]1CCC[C@H](C=Nn2c(=S)[n-]nc2C(F)(F)F)C1	ZINC000768352683	627475185	/nfs/dbraw/zinc/47/51/85/627475185.db2.gz	QIGIQVGLUMSWQE-YUMQZZPRSA-N	-1	0	292.330	3.246	20	30		CGEDRM
CC1(C)CCC/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000772801212	627824035	/nfs/dbraw/zinc/82/40/35/627824035.db2.gz	LCGDOLPNDQDFMS-NTMALXAHSA-N	-1	0	275.304	3.463	20	30		CGEDRM
CCc1cnc(C=CC(=O)c2sccc2[O-])s1	ZINC000773143395	627862151	/nfs/dbraw/zinc/86/21/51/627862151.db2.gz	SJHBNUTYAANRAK-ARJAWSKDSA-N	-1	0	265.359	3.369	20	30		CGEDRM
C=CCN(C(=O)c1cccc(Cl)c1[O-])C(C)C	ZINC000775712167	628128331	/nfs/dbraw/zinc/12/83/31/628128331.db2.gz	DZSOKHIUQOOVNK-UHFFFAOYSA-N	-1	0	253.729	3.082	20	30		CGEDRM
CC(=NOC1CCCCC1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000777457356	628272807	/nfs/dbraw/zinc/27/28/07/628272807.db2.gz	QXVLSVWVBVAKDV-UHFFFAOYSA-N	-1	0	290.363	3.470	20	30		CGEDRM
[O-]c1c(F)cc(C=NOC2CCCCC2)cc1F	ZINC000777459873	628273617	/nfs/dbraw/zinc/27/36/17/628273617.db2.gz	SEBJIDNJVDEEGR-UHFFFAOYSA-N	-1	0	255.264	3.354	20	30		CGEDRM
COc1cc(C)c(/C=C\C(=O)c2ccc(O)cc2[O-])c(C)n1	ZINC000781550394	628570250	/nfs/dbraw/zinc/57/02/50/628570250.db2.gz	VFOIQALNNOBIMP-SREVYHEPSA-N	-1	0	299.326	3.014	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc3cnccc3c2)cc1	ZINC000782098384	628615279	/nfs/dbraw/zinc/61/52/79/628615279.db2.gz	RVQMKKLNTRDNJP-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccnc2)c(Cl)c1	ZINC000783695854	628740901	/nfs/dbraw/zinc/74/09/01/628740901.db2.gz	BSIYQCSYFBGIAK-AATRIKPKSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CC[C@@H](NN=C1CCC(C(C)(C)C)CC1)C(=O)[O-]	ZINC000793058471	629406225	/nfs/dbraw/zinc/40/62/25/629406225.db2.gz	ULDYPADCPCKFAE-TVKKRMFBSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@H](NN=Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000793059177	629406347	/nfs/dbraw/zinc/40/63/47/629406347.db2.gz	ZGXJJDIXDKJAMN-INIZCTEOSA-N	-1	0	282.343	3.140	20	30		CGEDRM
CC[C@H](C)CON=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000793163089	629419777	/nfs/dbraw/zinc/41/97/77/629419777.db2.gz	DWBPNSAQQLRMRK-LBPRGKRZSA-N	-1	0	288.347	3.123	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2coc3cc(F)ccc23)c1	ZINC000793734888	629499071	/nfs/dbraw/zinc/49/90/71/629499071.db2.gz	GURHTSSOBQVIIY-UHFFFAOYSA-N	-1	0	296.257	3.401	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H](C(C)C)C2)n1	ZINC000794449398	629544154	/nfs/dbraw/zinc/54/41/54/629544154.db2.gz	VUMUGWACVGBRBV-NSHDSACASA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000794941427	629603017	/nfs/dbraw/zinc/60/30/17/629603017.db2.gz	OLETYVXATGXLLX-GQCTYLIASA-N	-1	0	274.295	3.205	20	30		CGEDRM
COCCCON=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000795048356	629626993	/nfs/dbraw/zinc/62/69/93/629626993.db2.gz	KQQHNPUWDHVBCT-UHFFFAOYSA-N	-1	0	292.162	3.476	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@@H]2CCCS2)c1	ZINC000864347006	629815034	/nfs/dbraw/zinc/81/50/34/629815034.db2.gz	IJPSCBDUWGUIJK-CJAAZZPWSA-N	-1	0	280.349	3.005	20	30		CGEDRM
CCc1cccc(C)c1NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000799494376	630190646	/nfs/dbraw/zinc/19/06/46/630190646.db2.gz	IPGIGYBKLMKQLG-UHFFFAOYSA-N	-1	0	271.320	3.030	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CC[C@@H](C)C1	ZINC000800815267	630301847	/nfs/dbraw/zinc/30/18/47/630301847.db2.gz	ROISRNKZBQQHCA-MNOVXSKESA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2C[C@@H]2C(F)F)c1[O-]	ZINC000804599179	630541968	/nfs/dbraw/zinc/54/19/68/630541968.db2.gz	VZXREOSLQJNXMS-HWNVYGNFSA-N	-1	0	290.653	3.026	20	30		CGEDRM
Cc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)ccc1C#N	ZINC000806559032	630566794	/nfs/dbraw/zinc/56/67/94/630566794.db2.gz	SEBWEMQUXPKFOY-VURMDHGXSA-N	-1	0	291.306	3.461	20	30		CGEDRM
C#CCON=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000812233591	631222264	/nfs/dbraw/zinc/22/22/64/631222264.db2.gz	VUVVRZOKNMCLQY-UHFFFAOYSA-N	-1	0	258.104	3.073	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1	ZINC000837044995	634846682	/nfs/dbraw/zinc/84/66/82/634846682.db2.gz	ULOUTLVLGYTUBH-UHFFFAOYSA-N	-1	0	279.767	3.386	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccccc2C)CCCC1	ZINC000837049674	634848746	/nfs/dbraw/zinc/84/87/46/634848746.db2.gz	MUKMATDAWRNFBC-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccc(Cl)cc2)c1	ZINC000814683898	631621666	/nfs/dbraw/zinc/62/16/66/631621666.db2.gz	VAMGUQMCANTQCS-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
Cc1cc2c(cc1C)C(=NNc1ccccc1C(=O)[O-])CO2	ZINC000814768521	631635642	/nfs/dbraw/zinc/63/56/42/631635642.db2.gz	DPADSUAAICBDQJ-UHFFFAOYSA-N	-1	0	296.326	3.210	20	30		CGEDRM
O=C([O-])C1CC(=NNCc2ccc(-c3ccccc3)cc2)C1	ZINC000814863429	631658636	/nfs/dbraw/zinc/65/86/36/631658636.db2.gz	NTUPAVMGLYTLTD-UHFFFAOYSA-N	-1	0	294.354	3.294	20	30		CGEDRM
O=C([O-])c1cccc2c1CC(=NNCc1ccccc1)CC2	ZINC000814887454	631665715	/nfs/dbraw/zinc/66/57/15/631665715.db2.gz	IWDRPUQGASFPCU-UHFFFAOYSA-N	-1	0	294.354	3.019	20	30		CGEDRM
C[C@@H]1C(=NO[C@@H]2CCCCO2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814887928	631666510	/nfs/dbraw/zinc/66/65/10/631666510.db2.gz	SZJYYTHINLRGCA-NQBHXWOUSA-N	-1	0	283.368	3.043	20	30		CGEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000814890772	631667535	/nfs/dbraw/zinc/66/75/35/631667535.db2.gz	YYQSCEMNJNDAEU-NSHDSACASA-N	-1	0	275.352	3.394	20	30		CGEDRM
C[C@H]1C(N=Nc2cc(Cl)ccn2)CC[C@H]1CC(=O)[O-]	ZINC000814898606	631669566	/nfs/dbraw/zinc/66/95/66/631669566.db2.gz	PZLMTNZAHURFDD-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cc(Cl)ccn1	ZINC000814897761	631669814	/nfs/dbraw/zinc/66/98/14/631669814.db2.gz	DGNOPWRURGAIEK-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(Cl)n2)CC[C@H]1CC(=O)[O-]	ZINC000814939478	631692663	/nfs/dbraw/zinc/69/26/63/631692663.db2.gz	RLNFRNGKIMXFMJ-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCOc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814985140	631702535	/nfs/dbraw/zinc/70/25/35/631702535.db2.gz	UGBOGTJJMVPRDI-NEPJUHHUSA-N	-1	0	290.363	3.374	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000815544437	631793173	/nfs/dbraw/zinc/79/31/73/631793173.db2.gz	VAVBWYNSKMWUJJ-VIFPVBQESA-N	-1	0	292.207	3.041	20	30		CGEDRM
O=C([N-][C@@H](C1CCCC1)C(F)(F)F)C(F)C(F)(F)F	ZINC000815769796	631824071	/nfs/dbraw/zinc/82/40/71/631824071.db2.gz	RSMDHVMMWQPPRO-RQJHMYQMSA-N	-1	0	295.198	3.124	20	30		CGEDRM
CCN(CCC#N)Cc1ccc2ccccc2c1O	ZINC000816484037	631988800	/nfs/dbraw/zinc/98/88/00/631988800.db2.gz	NRLQFZCUTAJJKU-UHFFFAOYSA-N	-1	0	254.333	3.281	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OC[C@@H](C)CC)c1ccccc1	ZINC000816978926	632069091	/nfs/dbraw/zinc/06/90/91/632069091.db2.gz	DORMYDDHHJKQTL-DZGCQCFKSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1cccc(Cl)c1[O-]	ZINC000817457302	632166268	/nfs/dbraw/zinc/16/62/68/632166268.db2.gz	QALMCYKUHCTBMA-UHFFFAOYSA-N	-1	0	267.756	3.378	20	30		CGEDRM
O=C(/C=C\c1ccc(F)cc1)c1ccc(O)cc1[O-]	ZINC000210009452	635777952	/nfs/dbraw/zinc/77/79/52/635777952.db2.gz	PEOUABQULHQJDZ-BAQGIRSFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
C=CCC1(C(=O)[N-]O[C@H]2CCCCO2)CCCCC1	ZINC000822924420	633039862	/nfs/dbraw/zinc/03/98/62/633039862.db2.gz	JKCNITCOBGLHNJ-ZDUSSCGKSA-N	-1	0	267.369	3.087	20	30		CGEDRM
O=C(/C=C/c1cccs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000207211372	633299290	/nfs/dbraw/zinc/29/92/90/633299290.db2.gz	ZPXKKGSBMJCGFF-GQCTYLIASA-N	-1	0	275.285	3.258	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C2(C(F)(F)F)CCCC2)c1	ZINC000870690646	633628094	/nfs/dbraw/zinc/62/80/94/633628094.db2.gz	RXPHOSZTZJEZFC-UHFFFAOYSA-N	-1	0	298.264	3.091	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(C3CCCC3)cc2=O)cc1Cl	ZINC000871957631	633926946	/nfs/dbraw/zinc/92/69/46/633926946.db2.gz	XYYSNHNLSHTFSA-UHFFFAOYSA-N	-1	0	287.750	3.495	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC3(CC3)C2)c1	ZINC000831271074	633935544	/nfs/dbraw/zinc/93/55/44/633935544.db2.gz	CXDWAAJGMPCCPO-LBPRGKRZSA-N	-1	0	270.332	3.173	20	30		CGEDRM
C#Cc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)c1	ZINC000872890426	634218704	/nfs/dbraw/zinc/21/87/04/634218704.db2.gz	VHJCCJNHRUEKHO-QGZVFWFLSA-N	-1	0	287.359	3.134	20	30		CGEDRM
CC1=C[C@@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835006189	634311746	/nfs/dbraw/zinc/31/17/46/634311746.db2.gz	AXKIAHWLGDXSMK-PWSUYJOCSA-N	-1	0	273.336	3.170	20	30		CGEDRM
CC(C)[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835007964	634312392	/nfs/dbraw/zinc/31/23/92/634312392.db2.gz	DDZANIPPBMUGPY-JTQLQIEISA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC[C@H](C)CCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008681	634313549	/nfs/dbraw/zinc/31/35/49/634313549.db2.gz	MSKNTKDLCULWDU-VIFPVBQESA-N	-1	0	252.289	3.358	20	30		CGEDRM
CCSCCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010338	634315114	/nfs/dbraw/zinc/31/51/14/634315114.db2.gz	XVNUYZOCTHWTTC-UHFFFAOYSA-N	-1	0	270.329	3.065	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C2=CC[C@H](C)CC2)n1	ZINC000835035240	634327476	/nfs/dbraw/zinc/32/74/76/634327476.db2.gz	DXFDQSRNFLIWKY-JOYOIKCWSA-N	-1	0	260.362	3.374	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cccs2)c1	ZINC000126277655	634941415	/nfs/dbraw/zinc/94/14/15/634941415.db2.gz	GHSXIIUABDTDIP-VOTSOKGWSA-N	-1	0	258.298	3.342	20	30		CGEDRM
O=C([O-])c1cc(N=NCCC[C@@H]2CCO2)ccc1Cl	ZINC000841602612	635195118	/nfs/dbraw/zinc/19/51/18/635195118.db2.gz	KFFCBSZUDIXBOX-SNVBAGLBSA-N	-1	0	282.727	3.005	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@H]1C[C@@H]1C	ZINC000841640113	635206354	/nfs/dbraw/zinc/20/63/54/635206354.db2.gz	DAXOHPDWPVCABI-WPRPVWTQSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc(C(F)(F)F)cc1	ZINC000880229600	635943390	/nfs/dbraw/zinc/94/33/90/635943390.db2.gz	YANMUGLTKQDQPB-UHFFFAOYSA-N	-1	0	287.281	3.217	20	30		CGEDRM
COCC[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844622517	635944578	/nfs/dbraw/zinc/94/45/78/635944578.db2.gz	FFTYBHDKXVJJOM-GFCCVEGCSA-N	-1	0	290.363	3.298	20	30		CGEDRM
CC[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)CCO1	ZINC000844623265	635944760	/nfs/dbraw/zinc/94/47/60/635944760.db2.gz	IHRADKNSYBLRGX-LBPRGKRZSA-N	-1	0	276.336	3.050	20	30		CGEDRM
CCO[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624401	635945519	/nfs/dbraw/zinc/94/55/19/635945519.db2.gz	XNGLZZMJAVSJGW-AWEZNQCLSA-N	-1	0	276.336	3.050	20	30		CGEDRM
CC[C@@H]1C[C@@H](CN=Nc2cccc(C(=O)[O-])c2C)CCO1	ZINC000844625231	635946307	/nfs/dbraw/zinc/94/63/07/635946307.db2.gz	WYBRZMSFHRKADP-QWHCGFSZSA-N	-1	0	290.363	3.296	20	30		CGEDRM
N#CC(C(=O)C1CC=CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845839629	636105526	/nfs/dbraw/zinc/10/55/26/636105526.db2.gz	YXFUIHXTFPREHR-CYBMUJFWSA-N	-1	0	299.395	3.485	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)Oc1cccc(Cl)c1	ZINC000846546713	636197847	/nfs/dbraw/zinc/19/78/47/636197847.db2.gz	YIJZRTODXFPGRE-SNVBAGLBSA-N	-1	0	283.755	3.120	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1cccc(C(C)C)c1	ZINC000846551001	636200417	/nfs/dbraw/zinc/20/04/17/636200417.db2.gz	RZGRYIJDKUEZQJ-CHWSQXEVSA-N	-1	0	277.364	3.200	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccccc2Cl)CCC1	ZINC000846553439	636200872	/nfs/dbraw/zinc/20/08/72/636200872.db2.gz	ATZAZKWMBVXUCS-LLVKDONJSA-N	-1	0	279.767	3.384	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCC1	ZINC000846552005	636201159	/nfs/dbraw/zinc/20/11/59/636201159.db2.gz	ZBZRYEHUQWQNII-CYBMUJFWSA-N	-1	0	289.375	3.048	20	30		CGEDRM
O=C(/C=C\c1ccsc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000212230720	636311936	/nfs/dbraw/zinc/31/19/36/636311936.db2.gz	BQYMTRRFAHEWSL-IWQZZHSRSA-N	-1	0	275.285	3.258	20	30		CGEDRM
CC[C@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414615	636570498	/nfs/dbraw/zinc/57/04/98/636570498.db2.gz	AIQVPAOXJMDFAS-LBPRGKRZSA-N	-1	0	260.337	3.292	20	30		CGEDRM
C[C@@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415310	636571491	/nfs/dbraw/zinc/57/14/91/636571491.db2.gz	LPYSJOVESSJXEW-LLVKDONJSA-N	-1	0	260.337	3.292	20	30		CGEDRM
C[C@@]1(CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F	ZINC000849172501	636764501	/nfs/dbraw/zinc/76/45/01/636764501.db2.gz	SZENFKBQXVVFAI-YNUIFBACSA-N	-1	0	284.262	3.155	20	30		CGEDRM
CC(C)(C)c1ccc([C@H](C#N)[N-]C(=O)C(F)(F)F)cc1	ZINC000108820942	636851269	/nfs/dbraw/zinc/85/12/69/636851269.db2.gz	CNMWXBLMWMDBLS-NSHDSACASA-N	-1	0	284.281	3.227	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000136505814	637387721	/nfs/dbraw/zinc/38/77/21/637387721.db2.gz	NPHXTOHXGLRIRP-FNORWQNLSA-N	-1	0	294.266	3.068	20	30		CGEDRM
CCCCCCCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000851618891	637459841	/nfs/dbraw/zinc/45/98/41/637459841.db2.gz	VRCLAHZNQLIIDE-UHFFFAOYSA-N	-1	0	295.383	3.002	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN1CCCC[C@H]1C	ZINC000853382089	637831585	/nfs/dbraw/zinc/83/15/85/637831585.db2.gz	SGJAQXDDVMIXGN-CYBMUJFWSA-N	-1	0	274.364	3.210	20	30		CGEDRM
CC[C@H](CC#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935399368	639803101	/nfs/dbraw/zinc/80/31/01/639803101.db2.gz	DKLXVBRYECGXSK-MRVPVSSYSA-N	-1	0	287.146	3.121	20	30		CGEDRM
O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1cccnc1	ZINC000042323485	639915348	/nfs/dbraw/zinc/91/53/48/639915348.db2.gz	ZHIKOCPZHXHORE-UHFFFAOYSA-N	-1	0	296.392	3.087	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1)C1CC1	ZINC000048518400	640056085	/nfs/dbraw/zinc/05/60/85/640056085.db2.gz	FGAKDRKEODCBAZ-HULFFUFUSA-N	-1	0	291.372	3.300	20	30		CGEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494272	640057069	/nfs/dbraw/zinc/05/70/69/640057069.db2.gz	GNFSRHGZEXIIHR-UHFFFAOYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCCC1CCCC1	ZINC000076762051	640214621	/nfs/dbraw/zinc/21/46/21/640214621.db2.gz	HNZDNTLHUXKQDW-UHFFFAOYSA-N	-1	0	275.414	3.433	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000077958435	640274126	/nfs/dbraw/zinc/27/41/26/640274126.db2.gz	BRVQUIYOJARCKK-NSHDSACASA-N	-1	0	279.361	3.000	20	30		CGEDRM
N#Cc1cc(Cl)ccc1SCCCC(=O)[O-]	ZINC000309441890	963348770	/nfs/dbraw/zinc/34/87/70/963348770.db2.gz	LVTYIEBVEFRLEF-UHFFFAOYSA-N	-1	0	255.726	3.169	20	30		CGEDRM
Cn1c2ccc(Cl)cc2nc1-c1cc(C#N)ccc1[O-]	ZINC001251180069	805859954	/nfs/dbraw/zinc/85/99/54/805859954.db2.gz	ABDMUWQFSVBDMD-UHFFFAOYSA-N	-1	0	283.718	3.471	20	30		CGEDRM
CCn1c2cc(F)ccc2nc1-c1cc(C#N)ccc1[O-]	ZINC001251180354	805859995	/nfs/dbraw/zinc/85/99/95/805859995.db2.gz	QHLUVIUUWUHILT-UHFFFAOYSA-N	-1	0	281.290	3.440	20	30		CGEDRM
C=C[C@@](C)(O)CNc1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001252566187	806070356	/nfs/dbraw/zinc/07/03/56/806070356.db2.gz	BHYAWNXNIQURKF-RHSMWYFYSA-N	-1	0	291.391	3.250	20	30		CGEDRM
CCCCCCCCCCc1cn(CC(=O)[O-])nn1	ZINC001254090343	806340766	/nfs/dbraw/zinc/34/07/66/806340766.db2.gz	JLWARPTXOISDHE-UHFFFAOYSA-N	-1	0	267.373	3.046	20	30		CGEDRM
CCOCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000127977389	799015969	/nfs/dbraw/zinc/01/59/69/799015969.db2.gz	VNXACYZZSVMKBU-VGOFMYFVSA-N	-1	0	262.136	3.154	20	30		CGEDRM
C[C@H]1CCC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000176393673	799095475	/nfs/dbraw/zinc/09/54/75/799095475.db2.gz	MYPUROVPRBYKIX-JQWIXIFHSA-N	-1	0	258.321	3.029	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)c(F)c2)ccc1C(=O)[O-]	ZINC000307916240	799216362	/nfs/dbraw/zinc/21/63/62/799216362.db2.gz	MAUFMHZEKSTCOV-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(C(=O)[O-])cc2)c1	ZINC000313406572	799231568	/nfs/dbraw/zinc/23/15/68/799231568.db2.gz	FATWNEBKZSWBSJ-UHFFFAOYSA-N	-1	0	252.273	3.194	20	30		CGEDRM
CC(=O)C=C(C)Nc1cc(Br)cc(C(=O)[O-])c1	ZINC001163742081	806814335	/nfs/dbraw/zinc/81/43/35/806814335.db2.gz	QDVZLODZCNDDQA-CLTKARDFSA-N	-1	0	298.136	3.052	20	30		CGEDRM
CCCCCc1nnc(-c2ccc(C#N)cc2[O-])o1	ZINC001256145343	806834795	/nfs/dbraw/zinc/83/47/95/806834795.db2.gz	ZQYDIRSRGHRYOU-UHFFFAOYSA-N	-1	0	257.293	3.047	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccccc1C=NO	ZINC001244420138	803361687	/nfs/dbraw/zinc/36/16/87/803361687.db2.gz	SOKKXFKKJMMNMQ-UHFFFAOYSA-N	-1	0	285.299	3.259	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(Cl)cc2[O-])c(C#N)c1	ZINC001244469387	803386282	/nfs/dbraw/zinc/38/62/82/803386282.db2.gz	JOVWQTCHDYSSTC-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
COc1ccc(-c2cc(F)c([O-])c(Cl)c2)nc1CC#N	ZINC001244500033	803406637	/nfs/dbraw/zinc/40/66/37/803406637.db2.gz	NMTCPVUFWNAKTH-UHFFFAOYSA-N	-1	0	292.697	3.321	20	30		CGEDRM
Cc1cc(-c2ncc(C#N)cc2F)cc(Cl)c1[O-]	ZINC001244536705	803423816	/nfs/dbraw/zinc/42/38/16/803423816.db2.gz	NSPQABUFTRILAO-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
CSc1ncc(C#N)c(-c2ccc(Cl)c([O-])c2F)n1	ZINC001244630927	803473953	/nfs/dbraw/zinc/47/39/53/803473953.db2.gz	SYHGTJXLAPRCNV-UHFFFAOYSA-N	-1	0	295.726	3.235	20	30		CGEDRM
[O-]/N=C/c1cccc(-c2cnc(Br)s2)c1	ZINC001244906368	803570295	/nfs/dbraw/zinc/57/02/95/803570295.db2.gz	UGYXPRSKVNQLRP-WLRTZDKTSA-N	-1	0	283.150	3.381	20	30		CGEDRM
N#CCc1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1	ZINC001245317931	803699108	/nfs/dbraw/zinc/69/91/08/803699108.db2.gz	XIEINGPLIFSNEY-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245372753	803717774	/nfs/dbraw/zinc/71/77/74/803717774.db2.gz	HMHNBQCQZZRBAZ-UHFFFAOYSA-N	-1	0	297.701	3.405	20	30		CGEDRM
C[C@]1(C(=O)Nc2cc(C#N)ccc2[O-])C[C@@H]1c1ccccc1	ZINC001137933980	803801318	/nfs/dbraw/zinc/80/13/18/803801318.db2.gz	CISNHOZTQCCMJX-KDOFPFPSSA-N	-1	0	292.338	3.396	20	30		CGEDRM
Cn1c(Nc2cc(C#N)ccc2O)cc2ccccc21	ZINC001212049371	814969386	/nfs/dbraw/zinc/96/93/86/814969386.db2.gz	RJQVQWBOBULWAI-UHFFFAOYSA-N	-1	0	263.300	3.499	20	30		CGEDRM
CCOC(=O)c1ccc(C#N)c(-c2c([O-])cccc2F)c1	ZINC001245656000	803888463	/nfs/dbraw/zinc/88/84/63/803888463.db2.gz	KWLKSPUKZLLVOY-UHFFFAOYSA-N	-1	0	285.274	3.247	20	30		CGEDRM
COc1cnc(-c2cc(Cl)c([O-])cc2F)c(C#N)c1	ZINC001245668256	803895768	/nfs/dbraw/zinc/89/57/68/803895768.db2.gz	RCQDXRSOKLRTCW-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1cc(-c2cc(Cl)c([O-])cc2F)nc(C2CC2)n1	ZINC001245669472	803898544	/nfs/dbraw/zinc/89/85/44/803898544.db2.gz	HCTUCKGSTBOQNB-UHFFFAOYSA-N	-1	0	289.697	3.391	20	30		CGEDRM
N#Cc1cnc2ccc(-c3cc(Cl)c([O-])cc3F)cn12	ZINC001245672700	803902391	/nfs/dbraw/zinc/90/23/91/803902391.db2.gz	ZGXBESBEBDDFBY-UHFFFAOYSA-N	-1	0	287.681	3.371	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2cc(F)ccc2F)cc1=O	ZINC001245930598	804057970	/nfs/dbraw/zinc/05/79/70/804057970.db2.gz	SXTZQLXOGMCNTJ-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C[C@@H]1CCC[C@H]1n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245932641	804062977	/nfs/dbraw/zinc/06/29/77/804062977.db2.gz	JUSQXMRPBNZVDM-IAQYHMDHSA-N	-1	0	267.332	3.488	20	30		CGEDRM
C[C@@H](n1[n-]c(-c2cccc(C#N)c2)cc1=O)C(F)(F)F	ZINC001245937698	804070023	/nfs/dbraw/zinc/07/00/23/804070023.db2.gz	UBTUUYQSGILHIT-MRVPVSSYSA-N	-1	0	281.237	3.251	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccnc(Cl)c3)[n-]2)c1	ZINC001245937689	804070052	/nfs/dbraw/zinc/07/00/52/804070052.db2.gz	SVMNAHYUPDWZBE-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248561688	804953478	/nfs/dbraw/zinc/95/34/78/804953478.db2.gz	VQWYFHKDSCLVOZ-UHFFFAOYSA-N	-1	0	287.706	3.236	20	30		CGEDRM
C/C(=C\C(=O)Nc1cc(C#N)ccc1[O-])c1cccs1	ZINC001152999753	805377912	/nfs/dbraw/zinc/37/79/12/805377912.db2.gz	HEJXMZUXUHZITA-JXMROGBWSA-N	-1	0	284.340	3.367	20	30		CGEDRM
Cc1cc(N[C@@H](C)c2cccc(C#N)c2)cnc1C(=O)[O-]	ZINC001167709573	807231503	/nfs/dbraw/zinc/23/15/03/807231503.db2.gz	RSFKNFUBWYJVLA-NSHDSACASA-N	-1	0	281.315	3.133	20	30		CGEDRM
CCCCCCCCC[C@@H](C)N[C@H]1SC(=O)[N-]C1=O	ZINC001258229584	807377835	/nfs/dbraw/zinc/37/78/35/807377835.db2.gz	OZWHUPGYVDFJGO-YPMHNXCESA-N	-1	0	286.441	3.414	20	30		CGEDRM
Cc1oc([N-]S(=O)(=O)CC2CCCCC2)c(C#N)c1C	ZINC001259613822	807681730	/nfs/dbraw/zinc/68/17/30/807681730.db2.gz	ACNBFPZJJSNRNG-UHFFFAOYSA-N	-1	0	296.392	3.090	20	30		CGEDRM
CC1(C)CC(=O)C=C(Nc2ncc(Cl)cc2C(=O)[O-])C1	ZINC001169951296	807728528	/nfs/dbraw/zinc/72/85/28/807728528.db2.gz	CQQYBAWUMTYBSF-UHFFFAOYSA-N	-1	0	294.738	3.118	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)cc(F)c2)c([O-])cc1F	ZINC001173916181	808758100	/nfs/dbraw/zinc/75/81/00/808758100.db2.gz	OBUUZSUBVYLQPP-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
Cc1csc(NC(=O)c2cccc(F)c2[O-])c1C#N	ZINC001271967682	808790987	/nfs/dbraw/zinc/79/09/87/808790987.db2.gz	YICYIEIEFUIEEC-UHFFFAOYSA-N	-1	0	276.292	3.025	20	30		CGEDRM
N#Cc1cc(Nc2ccc3c(c2)NCC3)c([O-])cc1F	ZINC001213156490	815246942	/nfs/dbraw/zinc/24/69/42/815246942.db2.gz	GWVOGHNUZHLCQZ-UHFFFAOYSA-N	-1	0	269.279	3.115	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174500491	809047375	/nfs/dbraw/zinc/04/73/75/809047375.db2.gz	TUVTXZSTFLZZNZ-SOFGYWHQSA-N	-1	0	293.326	3.441	20	30		CGEDRM
COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1C#N	ZINC001174499925	809047400	/nfs/dbraw/zinc/04/74/00/809047400.db2.gz	LKGDDFKFUOJIQM-VMPITWQZSA-N	-1	0	294.310	3.408	20	30		CGEDRM
C=C(C)Nc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC001174794108	809165135	/nfs/dbraw/zinc/16/51/35/809165135.db2.gz	YVIHBMZYDGEOCM-UHFFFAOYSA-N	-1	0	263.318	3.032	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])s2)cc1	ZINC001174807062	809167486	/nfs/dbraw/zinc/16/74/86/809167486.db2.gz	IHEKMFNIJHWMQX-UHFFFAOYSA-N	-1	0	273.313	3.202	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccc(C(=O)[O-])s2)c1F	ZINC001174809238	809168211	/nfs/dbraw/zinc/16/82/11/809168211.db2.gz	CUZPQJSFUFPKCW-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cn1	ZINC001174948195	809211141	/nfs/dbraw/zinc/21/11/41/809211141.db2.gz	YXRBVIYEJFNDGV-UHFFFAOYSA-N	-1	0	295.342	3.253	20	30		CGEDRM
Cc1oc(Nc2ccc(CC(=O)[O-])cc2)c(C#N)c1C	ZINC001174947614	809211683	/nfs/dbraw/zinc/21/16/83/809211683.db2.gz	PJQOFBJFHOQIHQ-UHFFFAOYSA-N	-1	0	270.288	3.139	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1C#N	ZINC001174987117	809227821	/nfs/dbraw/zinc/22/78/21/809227821.db2.gz	ZHODEKNYGMSSLX-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1F	ZINC001175158082	809292446	/nfs/dbraw/zinc/29/24/46/809292446.db2.gz	NACJSQFYIWLWDC-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001175159777	809292459	/nfs/dbraw/zinc/29/24/59/809292459.db2.gz	IRRMTAVRXVZZEJ-UHFFFAOYSA-N	-1	0	285.274	3.280	20	30		CGEDRM
COc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001175223130	809313724	/nfs/dbraw/zinc/31/37/24/809313724.db2.gz	CTXWJMUUSCPUND-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(F)c1F	ZINC001175223086	809314060	/nfs/dbraw/zinc/31/40/60/809314060.db2.gz	ALEFVTRVRCKNKB-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(O)c1	ZINC001175320184	809353337	/nfs/dbraw/zinc/35/33/37/809353337.db2.gz	PTMGQHYZPGPVFM-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc([N+](=O)[O-])ccc1F	ZINC001175733404	809521716	/nfs/dbraw/zinc/52/17/16/809521716.db2.gz	BGDDRHGLQJFLFD-UHFFFAOYSA-N	-1	0	279.252	3.116	20	30		CGEDRM
COc1cc(Nc2scc([O-])c2C#N)c(F)cc1F	ZINC001176108552	809624133	/nfs/dbraw/zinc/62/41/33/809624133.db2.gz	DMRVUVSOYBZNSK-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
COc1cc(Nc2scc(C)c2C#N)cc(C(=O)[O-])c1	ZINC001213582712	815306640	/nfs/dbraw/zinc/30/66/40/815306640.db2.gz	DWWALNQUNVFQNO-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
COc1cc(Nc2cc(F)ccc2C#N)cc(C(=O)[O-])c1	ZINC001213592356	815308441	/nfs/dbraw/zinc/30/84/41/815308441.db2.gz	DDOOELVKPXLLAS-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccc(C(=O)[O-])cc2)c1F	ZINC001176712580	809747597	/nfs/dbraw/zinc/74/75/97/809747597.db2.gz	IJQIRDTWSTVOIZ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1cccc(Nc2ccc(C(=O)[O-])cc2)c1C#N	ZINC001176716177	809749249	/nfs/dbraw/zinc/74/92/49/809749249.db2.gz	ZFLAQNAXGFWHLW-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176715819	809749374	/nfs/dbraw/zinc/74/93/74/809749374.db2.gz	QZSIQHPBFFPVSS-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
CC(C)Oc1ncccc1Nc1scc([O-])c1C#N	ZINC001176733160	809754177	/nfs/dbraw/zinc/75/41/77/809754177.db2.gz	IQQTWKZYWCUJHK-UHFFFAOYSA-N	-1	0	275.333	3.251	20	30		CGEDRM
N#Cc1ccccc1CC(=O)Nc1ccccc1[S-]	ZINC001181799564	810072400	/nfs/dbraw/zinc/07/24/00/810072400.db2.gz	KENPVWOVUPZHJA-UHFFFAOYSA-N	-1	0	268.341	3.028	20	30		CGEDRM
CC(C)(C)C1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184241534	810185494	/nfs/dbraw/zinc/18/54/94/810185494.db2.gz	QDPAAJTWHCHDMJ-UHFFFAOYSA-N	-1	0	288.411	3.321	20	30		CGEDRM
N#Cc1cnccc1Nc1c(Cl)ccc([O-])c1Cl	ZINC001214015566	815356491	/nfs/dbraw/zinc/35/64/91/815356491.db2.gz	YJYBUDHYTWOAER-UHFFFAOYSA-N	-1	0	280.114	3.131	20	30		CGEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccoc1	ZINC001188610852	810492538	/nfs/dbraw/zinc/49/25/38/810492538.db2.gz	ZKWNXPQUFXRUHR-UHFFFAOYSA-N	-1	0	263.318	3.114	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001214601538	815430986	/nfs/dbraw/zinc/43/09/86/815430986.db2.gz	QNVLJYQRZVOKPK-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
CC(C)CCC[C@H](C)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764157	811289700	/nfs/dbraw/zinc/28/97/00/811289700.db2.gz	HFPSNPXRQWDQKN-LBPRGKRZSA-N	-1	0	274.364	3.208	20	30		CGEDRM
C=Cc1ccc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cc1	ZINC001201315697	811811948	/nfs/dbraw/zinc/81/19/48/811811948.db2.gz	ITGLDXFGMIWELS-UHFFFAOYSA-N	-1	0	298.367	3.311	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2c(F)cccc2F)c1	ZINC001202041890	812003899	/nfs/dbraw/zinc/00/38/99/812003899.db2.gz	KCDSRZAOAASJQI-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccsc1C(=O)[O-]	ZINC001215383896	815513931	/nfs/dbraw/zinc/51/39/31/815513931.db2.gz	TWTUQEBXEAUHIF-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
Cc1c(Cl)c(Nc2cnccc2C#N)ccc1C(=O)[O-]	ZINC001215690580	815559743	/nfs/dbraw/zinc/55/97/43/815559743.db2.gz	LZNOWARXKXFDQZ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1nc(-c2ccc([O-])cc2F)c(C#N)c(C)c1C	ZINC001206043972	813180022	/nfs/dbraw/zinc/18/00/22/813180022.db2.gz	AMEQAYZMTYHPGS-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
N#Cc1c(F)cc(Nc2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001209892984	814191080	/nfs/dbraw/zinc/19/10/80/814191080.db2.gz	AYEZQAMUZFTNHW-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1F	ZINC001210070995	814272961	/nfs/dbraw/zinc/27/29/61/814272961.db2.gz	CPZIBUXVJPFBNF-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1cc(C#N)c(F)cc1Nc1cccc(CC(=O)[O-])c1	ZINC001210074972	814275616	/nfs/dbraw/zinc/27/56/16/814275616.db2.gz	QAHCGLAXMCAQQQ-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
COc1cc(Nc2cnc(C#N)c(C)c2)ccc1[S-]	ZINC001210208161	814340750	/nfs/dbraw/zinc/34/07/50/814340750.db2.gz	RRGJGWZSVMXDGO-UHFFFAOYSA-N	-1	0	271.345	3.303	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)s1	ZINC001210254494	814368291	/nfs/dbraw/zinc/36/82/91/814368291.db2.gz	ODTQCFOEBATLLK-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1noc([N-]c2cc3cc(F)ccc3o2)c1C#N	ZINC001210725202	814597811	/nfs/dbraw/zinc/59/78/11/814597811.db2.gz	PXOYSFCDSNDRNJ-UHFFFAOYSA-N	-1	0	257.224	3.484	20	30		CGEDRM
N#Cc1cc(Nc2c[nH]c3ncccc23)c([O-])cc1F	ZINC001210947159	814686373	/nfs/dbraw/zinc/68/63/73/814686373.db2.gz	HOQKNYJXMQGOHM-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccccc2C(=O)[O-])c(C#N)c1	ZINC001210968063	814695554	/nfs/dbraw/zinc/69/55/54/814695554.db2.gz	CAKGNSBCDKAGDD-UHFFFAOYSA-N	-1	0	280.283	3.203	20	30		CGEDRM
COc1c(Nc2csc(C#N)c2)cccc1C(=O)[O-]	ZINC001211034162	814713955	/nfs/dbraw/zinc/71/39/55/814713955.db2.gz	MCONONOXPWVUPT-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)ccc1C#N	ZINC001215769580	815584429	/nfs/dbraw/zinc/58/44/29/815584429.db2.gz	LSBHWRURVGSIBG-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
COc1cc(C)ccc1Nc1scc([O-])c1C#N	ZINC001211115337	814750911	/nfs/dbraw/zinc/75/09/11/814750911.db2.gz	GOLZCOLGDDQHAC-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
N#Cc1cnoc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001211479103	814895646	/nfs/dbraw/zinc/89/56/46/814895646.db2.gz	YMCGNXAVCXIGPC-UHFFFAOYSA-N	-1	0	297.192	3.007	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1	ZINC001211606251	814916758	/nfs/dbraw/zinc/91/67/58/814916758.db2.gz	KFZJNFMJISZITO-UHFFFAOYSA-N	-1	0	281.311	3.449	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1	ZINC001211624694	814920347	/nfs/dbraw/zinc/92/03/47/814920347.db2.gz	QWBHWVRXSJKDPD-UHFFFAOYSA-N	-1	0	281.311	3.449	20	30		CGEDRM
COc1cc(C#N)cc(-c2cccc([S-])c2)c1OC(C)=O	ZINC001242864161	823157337	/nfs/dbraw/zinc/15/73/37/823157337.db2.gz	NAYYNXVUOJSCES-UHFFFAOYSA-N	-1	0	299.351	3.448	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cccc([S-])c3)ccc12	ZINC001242866314	823158193	/nfs/dbraw/zinc/15/81/93/823158193.db2.gz	SXRHPXONBLGEOO-UHFFFAOYSA-N	-1	0	251.314	3.390	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216683521	815892958	/nfs/dbraw/zinc/89/29/58/815892958.db2.gz	PYTMLSOOEPJWOH-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cccc(C(=O)[O-])c1OC	ZINC001242923002	823173009	/nfs/dbraw/zinc/17/30/09/823173009.db2.gz	REGYMLFFZVXHMU-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(C(C)(C)C#N)nc1	ZINC001242923182	823173205	/nfs/dbraw/zinc/17/32/05/823173205.db2.gz	AYRWOVFWGMTZCC-UHFFFAOYSA-N	-1	0	296.326	3.257	20	30		CGEDRM
COc1cccc(-c2c(F)cc(C(=O)[O-])cc2F)c1C#N	ZINC001222408302	816437544	/nfs/dbraw/zinc/43/75/44/816437544.db2.gz	YMRYKQMIDBMETR-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
O=C([O-])C1(c2ccc(-c3cc(/C=N/O)ccc3F)cc2)CC1	ZINC001222694472	816501720	/nfs/dbraw/zinc/50/17/20/816501720.db2.gz	OVTFZYHZBQNEII-VXLYETTFSA-N	-1	0	299.301	3.417	20	30		CGEDRM
C[C@@H]1C[C@@H](O/C(=N\O)c2ccc(Cl)cc2)CCO1	ZINC001223592773	816654417	/nfs/dbraw/zinc/65/44/17/816654417.db2.gz	DXKSFOVTMWPSIT-XZEJSEMASA-N	-1	0	269.728	3.060	20	30		CGEDRM
C=CCC[C@H](CC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223746494	816674319	/nfs/dbraw/zinc/67/43/19/816674319.db2.gz	QSBLSTIVVQXXJO-ZDUSSCGKSA-N	-1	0	284.377	3.195	20	30		CGEDRM
CCCCCCC[C@H](CC)OCCS(=O)(=O)[O-]	ZINC001224571299	816828603	/nfs/dbraw/zinc/82/86/03/816828603.db2.gz	IKJODWHQHIBAAO-LBPRGKRZSA-N	-1	0	266.403	3.030	20	30		CGEDRM
C=CCC[C@@H](CC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224903655	816906352	/nfs/dbraw/zinc/90/63/52/816906352.db2.gz	TTZVXTKBHLDUBM-CQSZACIVSA-N	-1	0	298.404	3.237	20	30		CGEDRM
C=CC[C@H](CCCC)OCCCC[P@@](=O)([O-])O	ZINC001225018763	816932951	/nfs/dbraw/zinc/93/29/51/816932951.db2.gz	HGXKDODUMJTKRZ-GFCCVEGCSA-N	-1	0	264.302	3.096	20	30		CGEDRM
C=C[C@@H](CCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225023220	816934078	/nfs/dbraw/zinc/93/40/78/816934078.db2.gz	WCNIHWYOWORFTH-LBPRGKRZSA-N	-1	0	264.302	3.096	20	30		CGEDRM
C=CC[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])C(C)C	ZINC001225493211	817073358	/nfs/dbraw/zinc/07/33/58/817073358.db2.gz	BXZXGSDYGATPBE-GFCCVEGCSA-N	-1	0	251.282	3.280	20	30		CGEDRM
CCC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)[C@H](C)CC	ZINC001226008515	817246672	/nfs/dbraw/zinc/24/66/72/817246672.db2.gz	HWGDGAKEOZPJFG-BXKDBHETSA-N	-1	0	266.316	3.392	20	30		CGEDRM
C[C@@H]1CC[C@@H](C)[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008102	817247049	/nfs/dbraw/zinc/24/70/49/817247049.db2.gz	CZJMSCUVUGFGRT-LNLATYFQSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008487	817247330	/nfs/dbraw/zinc/24/73/30/817247330.db2.gz	HPBHLGZZBHTLIX-LLVKDONJSA-N	-1	0	264.300	3.312	20	30		CGEDRM
C=C[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226224003	817301720	/nfs/dbraw/zinc/30/17/20/817301720.db2.gz	XQZBDYWRGYHYGK-AWEZNQCLSA-N	-1	0	266.300	3.273	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccc(F)cc2)c1C#N	ZINC001226222357	817302589	/nfs/dbraw/zinc/30/25/89/817302589.db2.gz	YQQPTGGKSOCRQR-SNVBAGLBSA-N	-1	0	272.279	3.246	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481049	817371783	/nfs/dbraw/zinc/37/17/83/817371783.db2.gz	BLIUWJXMWREEMF-NSHDSACASA-N	-1	0	264.321	3.424	20	30		CGEDRM
C=CC[C@@H](Oc1c(O)ccc(C(C)=O)c1O)C(C)C	ZINC001226482742	817372204	/nfs/dbraw/zinc/37/22/04/817372204.db2.gz	PXZWCHGYZQQUAA-CYBMUJFWSA-N	-1	0	264.321	3.280	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2nc(C)c(C)cc2C#N)c1	ZINC001243179287	823275802	/nfs/dbraw/zinc/27/58/02/823275802.db2.gz	WKRGQWQORLMCKY-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(C)c(C(=O)[O-])c2)nc1C#N	ZINC001243196429	823286110	/nfs/dbraw/zinc/28/61/10/823286110.db2.gz	XWIKGLCXUFCYMR-UHFFFAOYSA-N	-1	0	294.310	3.192	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(C)c(C(=O)[O-])c2)c1	ZINC001243197430	823285943	/nfs/dbraw/zinc/28/59/43/823285943.db2.gz	MZOJFVCBYSCAKB-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
CCN(CCC#N)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232631558	818405606	/nfs/dbraw/zinc/40/56/06/818405606.db2.gz	NNDLXYVODRUKOF-UHFFFAOYSA-N	-1	0	273.163	3.435	20	30		CGEDRM
N#Cc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001243326893	823349587	/nfs/dbraw/zinc/34/95/87/823349587.db2.gz	YYJHGBVNRYSCTB-UHFFFAOYSA-N	-1	0	282.686	3.449	20	30		CGEDRM
C=C[C@H](CCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832736	818714637	/nfs/dbraw/zinc/71/46/37/818714637.db2.gz	FXOZKVOFCKYICZ-LLVKDONJSA-N	-1	0	260.289	3.232	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](CC(C)C)C(C)C)c1C#N	ZINC001233915687	818730653	/nfs/dbraw/zinc/73/06/53/818730653.db2.gz	XAKGRYDVHDLWKY-ZDUSSCGKSA-N	-1	0	262.353	3.417	20	30		CGEDRM
CC[C@@H](C)[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513481	818871929	/nfs/dbraw/zinc/87/19/29/818871929.db2.gz	LXMVEEJWIAQZPP-ZJUUUORDSA-N	-1	0	271.320	3.020	20	30		CGEDRM
CC[C@@H](C)[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529830	818875557	/nfs/dbraw/zinc/87/55/57/818875557.db2.gz	GOLNUVDFHOMFOH-NXEZZACHSA-N	-1	0	271.320	3.020	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530983	818875681	/nfs/dbraw/zinc/87/56/81/818875681.db2.gz	QCMLDFCJTSZRTR-YGRLFVJLSA-N	-1	0	283.331	3.165	20	30		CGEDRM
C[C@@H](Oc1ccc(Br)c(C#N)n1)C1=CC=C[CH]1	ZINC001234639879	818899488	/nfs/dbraw/zinc/89/94/88/818899488.db2.gz	DIRBHRWBFSFCLR-SECBINFHSA-N	-1	0	290.140	3.184	20	30		CGEDRM
Cc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1C#N	ZINC001235079479	818996436	/nfs/dbraw/zinc/99/64/36/818996436.db2.gz	XDXXYNPOMGRCAR-WEVVVXLNSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C=CC(=O)[O-])cc3)cc12	ZINC001235622790	819127713	/nfs/dbraw/zinc/12/77/13/819127713.db2.gz	LCOFUTQATSSQNJ-ZZXKWVIFSA-N	-1	0	289.294	3.199	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1c(F)cc(F)c([O-])c1F	ZINC001235998217	819267034	/nfs/dbraw/zinc/26/70/34/819267034.db2.gz	VUTHUEYHRZFFHP-UHFFFAOYSA-N	-1	0	289.216	3.176	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2cc(F)cc(F)c2O)cc1F	ZINC001243504268	823422673	/nfs/dbraw/zinc/42/26/73/823422673.db2.gz	KKHDQMLUBKHEQA-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(C(=O)[O-])c(F)c2F)cc1F	ZINC001243512883	823426683	/nfs/dbraw/zinc/42/66/83/823426683.db2.gz	CEXKRDXFVBYTGD-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2F)c(F)c1	ZINC001239255553	820241144	/nfs/dbraw/zinc/24/11/44/820241144.db2.gz	BDACOSLXMZVKKI-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(C(=O)[O-])cc3F)c2)CC1	ZINC001239255157	820241973	/nfs/dbraw/zinc/24/19/73/820241973.db2.gz	XSQVCAVMEXHOHD-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
O=C([O-])c1ccc(-c2ccc(/C=N/O)c(F)c2)c(F)c1	ZINC001239266272	820246857	/nfs/dbraw/zinc/24/68/57/820246857.db2.gz	AIDIKAJLDOASLG-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#CCOc1ccccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240549934	821136428	/nfs/dbraw/zinc/13/64/28/821136428.db2.gz	HZYROHXWMMTONB-CMDGGOBGSA-N	-1	0	279.295	3.354	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240550227	821136847	/nfs/dbraw/zinc/13/68/47/821136847.db2.gz	VMUVTZWOKFGGOM-SNAWJCMRSA-N	-1	0	274.279	3.195	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CS)cc1	ZINC001240736511	821289373	/nfs/dbraw/zinc/28/93/73/821289373.db2.gz	SODDNASLEOWJFB-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cnc2[nH]cc(C#N)c2c1	ZINC001241003271	821481946	/nfs/dbraw/zinc/48/19/46/821481946.db2.gz	WWTXOYIULKETBJ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241186017	821622426	/nfs/dbraw/zinc/62/24/26/821622426.db2.gz	VNKPJDMXTNOVJM-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])c(F)c2)c1F	ZINC001241185805	821622897	/nfs/dbraw/zinc/62/28/97/821622897.db2.gz	YDEMELWRNULYOC-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241245963	821667147	/nfs/dbraw/zinc/66/71/47/821667147.db2.gz	LZKOLRXUVDNGOP-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
N#Cc1cc(-c2cc([O-])cc(F)c2)ncc1C(F)(F)F	ZINC001241262471	821682200	/nfs/dbraw/zinc/68/22/00/821682200.db2.gz	MKGGPKDYFZSVNN-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241351093	821752762	/nfs/dbraw/zinc/75/27/62/821752762.db2.gz	XEPXVJKLAKPGRI-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CCc1ccc(F)c(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241833585	822169747	/nfs/dbraw/zinc/16/97/47/822169747.db2.gz	DJOCXJAWVBQRJW-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cccnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242126657	822887397	/nfs/dbraw/zinc/88/73/97/822887397.db2.gz	PQYMPFKXXOLOOC-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
Cc1ccnc(-c2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001242204582	822909083	/nfs/dbraw/zinc/90/90/83/822909083.db2.gz	MNNMNOXSQBZMRN-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(F)cc3[O-])c2)CC1	ZINC001242217779	822914832	/nfs/dbraw/zinc/91/48/32/822914832.db2.gz	VFHXPASPDRZEGP-UHFFFAOYSA-N	-1	0	254.264	3.148	20	30		CGEDRM
C=CCNC(=O)c1ccc(-c2cccc(Cl)c2[O-])nc1	ZINC001242365223	822968225	/nfs/dbraw/zinc/96/82/25/822968225.db2.gz	QQCVUHSOOYZBAY-UHFFFAOYSA-N	-1	0	288.734	3.023	20	30		CGEDRM
N#Cc1cc(-c2cnc(C#N)c(C(F)(F)F)c2)ccc1[O-]	ZINC001242564810	823035449	/nfs/dbraw/zinc/03/54/49/823035449.db2.gz	VMGLNMQUXXUNQH-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
CC(C)(Oc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001341214339	936430917	/nfs/dbraw/zinc/43/09/17/936430917.db2.gz	HTGDPGIDDHOGNQ-UHFFFAOYSA-N	-1	0	296.326	3.060	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C	ZINC001345806635	936825043	/nfs/dbraw/zinc/82/50/43/936825043.db2.gz	NDQORCLULCPRKT-XFMPKHEZSA-N	-1	0	293.407	3.101	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1	ZINC001345796593	936825161	/nfs/dbraw/zinc/82/51/61/936825161.db2.gz	YQVPRSASZARNNJ-AWEZNQCLSA-N	-1	0	293.407	3.369	20	30		CGEDRM
Cc1oc(C)c(C([O-])=C(C#N)c2ncc(Cl)n2C)c1C	ZINC001349703396	936958997	/nfs/dbraw/zinc/95/89/97/936958997.db2.gz	XEZWENRJNMRLOJ-JTQLQIEISA-N	-1	0	291.738	3.082	20	30		CGEDRM
C=C(C)CCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC001349946115	936969899	/nfs/dbraw/zinc/96/98/99/936969899.db2.gz	ZKPHHISGZNXFDX-UHFFFAOYSA-N	-1	0	282.365	3.260	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1c([O-])cccc1F	ZINC001353903539	937080682	/nfs/dbraw/zinc/08/06/82/937080682.db2.gz	FXPYRMMJOFEDHA-NSHDSACASA-N	-1	0	263.312	3.102	20	30		CGEDRM
N#Cc1ccc(CCNc2ccccc2/C=C/C(=O)[O-])cc1	ZINC001167678744	926827037	/nfs/dbraw/zinc/82/70/37/926827037.db2.gz	BJOAPZVFTPZJIW-MDZDMXLPSA-N	-1	0	292.338	3.311	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c1	ZINC000048505754	927206013	/nfs/dbraw/zinc/20/60/13/927206013.db2.gz	MSBILXNLJUOQRA-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
C=CCN(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001450189972	937383388	/nfs/dbraw/zinc/38/33/88/937383388.db2.gz	AQOVSIMENOGSDE-UHFFFAOYSA-N	-1	0	299.157	3.241	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1c(F)cccc1F	ZINC001228898347	932047650	/nfs/dbraw/zinc/04/76/50/932047650.db2.gz	GBJBSMHTZFRPAP-QMMMGPOBSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228902755	932049464	/nfs/dbraw/zinc/04/94/64/932049464.db2.gz	UIGLJPAPILBYHJ-AWEZNQCLSA-N	-1	0	266.300	3.355	20	30		CGEDRM
C#CC[C@H](C)Oc1ccc2c(c1)oc1cc(O)ccc1c2=O	ZINC001229517003	932164473	/nfs/dbraw/zinc/16/44/73/932164473.db2.gz	MLKGJHOUAPIPSC-NSHDSACASA-N	-1	0	294.306	3.442	20	30		CGEDRM
C#CC[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229797594	932485403	/nfs/dbraw/zinc/48/54/03/932485403.db2.gz	HRFKKAUAXRIGMW-LLVKDONJSA-N	-1	0	294.306	3.442	20	30		CGEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230884886	932634970	/nfs/dbraw/zinc/63/49/70/932634970.db2.gz	ICBOJRUEEJZONE-MRVPVSSYSA-N	-1	0	264.712	3.332	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074770	932672320	/nfs/dbraw/zinc/67/23/20/932672320.db2.gz	SOBJZPCMXCWZHU-QMMMGPOBSA-N	-1	0	296.367	3.340	20	30		CGEDRM
CCc1cc(C#N)c(NC(=O)c2cccc(F)c2[O-])s1	ZINC001534646801	938097176	/nfs/dbraw/zinc/09/71/76/938097176.db2.gz	WOXFTBYZXVFRCM-UHFFFAOYSA-N	-1	0	290.319	3.279	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1cccc(Cl)c1[O-]	ZINC001540199572	938128651	/nfs/dbraw/zinc/12/86/51/938128651.db2.gz	KXZHMMIRBUDWAM-UHFFFAOYSA-N	-1	0	267.756	3.378	20	30		CGEDRM
Cc1ccc(OCc2ccc(C#N)cc2)c(C(=O)[O-])c1	ZINC000013085559	956935856	/nfs/dbraw/zinc/93/58/56/956935856.db2.gz	KAWLTQMSBOAEJC-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCc1cc(C#N)ccc1F	ZINC000048686902	957459230	/nfs/dbraw/zinc/45/92/30/957459230.db2.gz	BADPFJKZIUILFU-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
CCCCCCCCCn1cc(C(=O)[O-])ccc1=O	ZINC000059089577	957559926	/nfs/dbraw/zinc/55/99/26/957559926.db2.gz	MLJUGRHYGCVWHY-UHFFFAOYSA-N	-1	0	265.353	3.297	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000109047769	958376117	/nfs/dbraw/zinc/37/61/17/958376117.db2.gz	JSKSEDPNKRHWRR-MRXNPFEDSA-N	-1	0	283.412	3.450	20	30		CGEDRM
N#Cc1ccc(OCc2cc(C(=O)[O-])co2)cc1Cl	ZINC000226055308	959869704	/nfs/dbraw/zinc/86/97/04/959869704.db2.gz	WQBVLJRIKRZDKS-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
N#C[C@H](NC(=O)c1ccc(Cl)c([O-])c1)C1CCCCC1	ZINC001566140644	960890878	/nfs/dbraw/zinc/89/08/78/960890878.db2.gz	DADCNVLOEWNSNV-ZDUSSCGKSA-N	-1	0	292.766	3.248	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001573328340	962240528	/nfs/dbraw/zinc/24/05/28/962240528.db2.gz	GWCNEIYJXNXMIN-INIZCTEOSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(C)C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001573323550	962773156	/nfs/dbraw/zinc/77/31/56/962773156.db2.gz	CNYFEISJABDNIY-SNVBAGLBSA-N	-1	0	284.699	3.080	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC001573324014	962780452	/nfs/dbraw/zinc/78/04/52/962780452.db2.gz	LURDYRPCIYEACE-UHFFFAOYSA-N	-1	0	261.321	3.242	20	30		CGEDRM
C=C(CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21	ZINC001573326422	962802389	/nfs/dbraw/zinc/80/23/89/962802389.db2.gz	VWWBDXUHNHGLLT-KKUMJFAQSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1c1ccccc1	ZINC001573331820	962817232	/nfs/dbraw/zinc/81/72/32/962817232.db2.gz	BTKHOSBCHLAIPQ-HNNXBMFYSA-N	-1	0	287.359	3.161	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(C)c(Cl)cc1OC	ZINC001573336493	962858010	/nfs/dbraw/zinc/85/80/10/962858010.db2.gz	CYKKHEXHYRQSIP-UHFFFAOYSA-N	-1	0	297.738	3.017	20	30		CGEDRM
C=C(C)CSCc1ccc(-c2nn[nH]n2)cc1Cl	ZINC001588429091	963267746	/nfs/dbraw/zinc/26/77/46/963267746.db2.gz	CCPCAIBQARUYBA-UHFFFAOYSA-N	-1	0	280.784	3.329	20	30		CGEDRM
C=CCCC1(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CCCC1	ZINC001588457341	963276547	/nfs/dbraw/zinc/27/65/47/963276547.db2.gz	VQMUWGUQBREWBJ-CYBMUJFWSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C#CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccccc1	ZINC001588471798	963279064	/nfs/dbraw/zinc/27/90/64/963279064.db2.gz	ZSXNQBCKNPODIC-UHFFFAOYSA-N	-1	0	299.395	3.390	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-]	ZINC001588535277	963283028	/nfs/dbraw/zinc/28/30/28/963283028.db2.gz	GRSSZJGHYRGGGP-LRDDRELGSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCc1cnc(C)nc1	ZINC001588576924	963283606	/nfs/dbraw/zinc/28/36/06/963283606.db2.gz	GVIZQRXLIBZYSJ-UHFFFAOYSA-N	-1	0	298.342	3.181	20	30		CGEDRM
C=C(C)CN[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F	ZINC001588569820	963287188	/nfs/dbraw/zinc/28/71/88/963287188.db2.gz	LWAGKKDTWAXCAE-NSHDSACASA-N	-1	0	273.254	3.154	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@@H]1CCC	ZINC001588624823	963289716	/nfs/dbraw/zinc/28/97/16/963289716.db2.gz	XRRKBHOCAIVUHX-KBPBESRZSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)C(C)C	ZINC001588621940	963290258	/nfs/dbraw/zinc/29/02/58/963290258.db2.gz	MMUHUWWITQESEO-OAHLLOKOSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1cccc(C2CC2)c1	ZINC001588621248	963290751	/nfs/dbraw/zinc/29/07/51/963290751.db2.gz	BLWWKPJYFWUJPR-GFCCVEGCSA-N	-1	0	287.359	3.162	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C	ZINC001588606649	963292272	/nfs/dbraw/zinc/29/22/72/963292272.db2.gz	CNDOPRQFUQDHKZ-STQMWFEESA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C2CC2)c1	ZINC001588621249	963292841	/nfs/dbraw/zinc/29/28/41/963292841.db2.gz	BLWWKPJYFWUJPR-LBPRGKRZSA-N	-1	0	287.359	3.162	20	30		CGEDRM
C=C1CCC(c2nc(-c3cc(C(=O)[O-])co3)no2)CC1	ZINC001588650051	963297486	/nfs/dbraw/zinc/29/74/86/963297486.db2.gz	VFUCAQXKICHLNG-UHFFFAOYSA-N	-1	0	274.276	3.242	20	30		CGEDRM
C=CC(C)(C)COC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588681055	963298454	/nfs/dbraw/zinc/29/84/54/963298454.db2.gz	NPELPUNJUVJCEQ-UHFFFAOYSA-N	-1	0	280.364	3.167	20	30		CGEDRM
C=C[C@H](C(=O)[O-])N(CC1CCCCC1)OCC(C)C	ZINC001588663143	963299480	/nfs/dbraw/zinc/29/94/80/963299480.db2.gz	CEEGGKHYCBRMLV-CQSZACIVSA-N	-1	0	269.385	3.096	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC001588672005	963299893	/nfs/dbraw/zinc/29/98/93/963299893.db2.gz	MUPICKIGTFJIHX-AWEZNQCLSA-N	-1	0	289.375	3.485	20	30		CGEDRM
C=C1CCC(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])CC1	ZINC001588644331	963301007	/nfs/dbraw/zinc/30/10/07/963301007.db2.gz	PVIQSHBFWDIQNZ-INIZCTEOSA-N	-1	0	299.370	3.084	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC001588673269	963301648	/nfs/dbraw/zinc/30/16/48/963301648.db2.gz	OXZSQURPTCLTPR-HNNXBMFYSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=CC1(CC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CCCCC1	ZINC001588714189	963304608	/nfs/dbraw/zinc/30/46/08/963304608.db2.gz	BCPCFPBMWHSDMM-BBRMVZONSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC001588691335	963307445	/nfs/dbraw/zinc/30/74/45/963307445.db2.gz	YIUCIGYTZFUDEJ-GFCCVEGCSA-N	-1	0	275.348	3.340	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2OC)CCC1	ZINC001588765264	963307975	/nfs/dbraw/zinc/30/79/75/963307975.db2.gz	VISCALREBADBFY-UHFFFAOYSA-N	-1	0	289.331	3.078	20	30		CGEDRM
C=CCC(C)(C)c1noc(-c2cc(C)c(C(=O)[O-])o2)n1	ZINC001588735959	963308795	/nfs/dbraw/zinc/30/87/95/963308795.db2.gz	ADVZZRAVDXLXHE-UHFFFAOYSA-N	-1	0	276.292	3.190	20	30		CGEDRM
C=CC[C@H](Sc1ccc(C(=O)OCC)cc1F)C(=O)[O-]	ZINC001588759096	963311123	/nfs/dbraw/zinc/31/11/23/963311123.db2.gz	OXBALPKZZSNUEG-LBPRGKRZSA-N	-1	0	298.335	3.124	20	30		CGEDRM
C=CC[C@H](Sc1nccn1-c1cccc(C)c1)C(=O)[O-]	ZINC001588759691	963311203	/nfs/dbraw/zinc/31/12/03/963311203.db2.gz	ZACQJDUNLPDDGL-ZDUSSCGKSA-N	-1	0	288.372	3.302	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC001588786582	963315449	/nfs/dbraw/zinc/31/54/49/963315449.db2.gz	PWRMOOOXEAEGJA-CABCVRRESA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC001588789352	963316387	/nfs/dbraw/zinc/31/63/87/963316387.db2.gz	BKVLHGYUEUJKNE-MCIONIFRSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cc(F)cc(Cl)c1)C(=O)[O-]	ZINC001588793409	963317669	/nfs/dbraw/zinc/31/76/69/963317669.db2.gz	XJZUEFVSPDIMPU-LBPRGKRZSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1CC)C(C)C	ZINC001588820836	963319281	/nfs/dbraw/zinc/31/92/81/963319281.db2.gz	VQBGGSBYBHIMQV-UHFFFAOYSA-N	-1	0	290.363	3.376	20	30		CGEDRM
C=CCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588803670	963320436	/nfs/dbraw/zinc/32/04/36/963320436.db2.gz	CGNDLVMVSMRMFH-VURMDHGXSA-N	-1	0	276.292	3.071	20	30		CGEDRM
C=CCCCN(CC)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588801253	963323147	/nfs/dbraw/zinc/32/31/47/963323147.db2.gz	CMONABLRQJVABC-UHFFFAOYSA-N	-1	0	282.365	3.266	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccc(C(=O)[O-])s1	ZINC000312074744	963532522	/nfs/dbraw/zinc/53/25/22/963532522.db2.gz	PNLKYRBPIVRDFN-UHFFFAOYSA-N	-1	0	281.377	3.313	20	30		CGEDRM
C[C@H](C#N)CN(C)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001589328628	963984662	/nfs/dbraw/zinc/98/46/62/963984662.db2.gz	FCYOXJLZJZKIBF-GFCCVEGCSA-N	-1	0	298.342	3.236	20	30		CGEDRM
CCC(C#N)(CC)c1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC001589427008	963991757	/nfs/dbraw/zinc/99/17/57/963991757.db2.gz	WNLVGJFQWBQNQC-UHFFFAOYSA-N	-1	0	285.303	3.016	20	30		CGEDRM
C[C@H](C(=O)[O-])c1cccc(NCc2ccc(C#N)c(F)c2)c1	ZINC001589531910	963995837	/nfs/dbraw/zinc/99/58/37/963995837.db2.gz	KPOOZBYRQGYYTD-NSHDSACASA-N	-1	0	298.317	3.498	20	30		CGEDRM
CC(C)(C#N)CC(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC001589553520	964002534	/nfs/dbraw/zinc/00/25/34/964002534.db2.gz	CMNZCQYBYXFPBM-UHFFFAOYSA-N	-1	0	295.722	3.021	20	30		CGEDRM
C#CCCCCC(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl	ZINC001588440734	964043473	/nfs/dbraw/zinc/04/34/73/964043473.db2.gz	NDNQPFCLUKRJRT-UHFFFAOYSA-N	-1	0	293.750	3.479	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C(=O)[O-]	ZINC001609636798	970429646	/nfs/dbraw/zinc/42/96/46/970429646.db2.gz	FJQOGCKNFNEULF-LLVKDONJSA-N	-1	0	275.348	3.198	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000396620978	972925060	/nfs/dbraw/zinc/92/50/60/972925060.db2.gz	KROKCJVUYYOFFQ-DGCLKSJQSA-N	-1	0	290.363	3.351	20	30		CGEDRM
N#Cc1cccc(C#N)c1Oc1cc(C(=O)[O-])ccc1F	ZINC001605617803	973936811	/nfs/dbraw/zinc/93/68/11/973936811.db2.gz	WTUTVJUTPKACLC-UHFFFAOYSA-N	-1	0	282.230	3.060	20	30		CGEDRM
C[C@H](Cc1ccc(NC[C@@H](C)CCC#N)cc1)C(=O)[O-]	ZINC001592471603	978233319	/nfs/dbraw/zinc/23/33/19/978233319.db2.gz	UELQZVJSKCKKMM-QWHCGFSZSA-N	-1	0	274.364	3.302	20	30		CGEDRM
CC[C@@H](CC#N)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl	ZINC001595030524	979167965	/nfs/dbraw/zinc/16/79/65/979167965.db2.gz	QTOPEOQWEFSJSH-ZETCQYMHSA-N	-1	0	297.698	3.051	20	30		CGEDRM
CCCC[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001595634368	981886844	/nfs/dbraw/zinc/88/68/44/981886844.db2.gz	MTIUJQRJDZWSCI-LWHXSLQUSA-N	-1	0	269.728	3.108	20	30		CGEDRM
CCCC[C@H](OC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001595649465	982007366	/nfs/dbraw/zinc/00/73/66/982007366.db2.gz	CMZOSBGQXHJBQX-LBPRGKRZSA-N	-1	0	281.352	3.037	20	30		CGEDRM
CCCCCCCCCNC(=O)c1csc(C(=O)[O-])n1	ZINC001595704790	982279993	/nfs/dbraw/zinc/27/99/93/982279993.db2.gz	HIQZEKAVXWOJAC-UHFFFAOYSA-N	-1	0	298.408	3.322	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1cc(C(=O)[O-])cs1	ZINC001599722488	991564026	/nfs/dbraw/zinc/56/40/26/991564026.db2.gz	KFLLRFACCJPQJE-NSCUHMNNSA-N	-1	0	294.353	3.413	20	30		CGEDRM
C[C@H](NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12)C(C)(C)C	ZINC001593319484	994848200	/nfs/dbraw/zinc/84/82/00/994848200.db2.gz	QFXUCUVWMJGOFD-JTQLQIEISA-N	-1	0	287.363	3.224	20	30		CGEDRM
CCS[C@H]1CCC[C@@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000590583942	346852535	/nfs/dbraw/zinc/85/25/35/346852535.db2.gz	JAFLRMYONFMWHV-CBAPKCEASA-N	-1	0	287.841	3.176	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738487654	571800332	/nfs/dbraw/zinc/80/03/32/571800332.db2.gz	APSJXYYSEJHMPA-MRVPVSSYSA-N	-1	0	282.727	3.124	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C	ZINC000080454763	345675133	/nfs/dbraw/zinc/67/51/33/345675133.db2.gz	XRKMEWNRRVFLRX-JTQLQIEISA-N	-1	0	288.376	3.097	20	30		CGEDRM
N#Cc1cc(NCC2(C(=O)[O-])CCC2)ccc1C(F)(F)F	ZINC000166683747	346186968	/nfs/dbraw/zinc/18/69/68/346186968.db2.gz	YAXJPZQFSVWHDY-UHFFFAOYSA-N	-1	0	298.264	3.244	20	30		CGEDRM
C[C@@H](CC#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000597456333	347576184	/nfs/dbraw/zinc/57/61/84/347576184.db2.gz	AYZZXILIPJHTOA-LURJTMIESA-N	-1	0	273.119	3.187	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1Cl	ZINC000601950033	347928706	/nfs/dbraw/zinc/92/87/06/347928706.db2.gz	SQYXDRDHPHANIO-LLVKDONJSA-N	-1	0	273.723	3.104	20	30		CGEDRM
CC(C)[C@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601933035	347925517	/nfs/dbraw/zinc/92/55/17/347925517.db2.gz	XDUXJWMSKATQPL-ZFWWWQNUSA-N	-1	0	281.359	3.333	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)n[nH]1	ZINC000613292149	348585946	/nfs/dbraw/zinc/58/59/46/348585946.db2.gz	AZGHWVZATODVBO-CYBMUJFWSA-N	-1	0	290.326	3.010	20	30		CGEDRM
CC(C)Cc1nc(=N[C@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000613884224	348637669	/nfs/dbraw/zinc/63/76/69/348637669.db2.gz	RONJSDBUTPBPMC-LLVKDONJSA-N	-1	0	286.404	3.203	20	30		CGEDRM
COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)c(C)cc1C	ZINC000358386213	233122592	/nfs/dbraw/zinc/12/25/92/233122592.db2.gz	XBEXVHMGHYRFGR-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
C=C(C)CN(Cc1ccccc1)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000630292626	350822011	/nfs/dbraw/zinc/82/20/11/350822011.db2.gz	DMAXMUNNUCDYDQ-AWEZNQCLSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	ZINC000630319499	350823184	/nfs/dbraw/zinc/82/31/84/350823184.db2.gz	BSBZRGPEFIEDTH-YJNKXOJESA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000630312825	350823442	/nfs/dbraw/zinc/82/34/42/350823442.db2.gz	AXSATTXTROSLRN-UHFFFAOYSA-N	-1	0	293.338	3.246	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000630328498	350823818	/nfs/dbraw/zinc/82/38/18/350823818.db2.gz	CVITVUVEENKXCK-TUKIKUTGSA-N	-1	0	287.359	3.416	20	30		CGEDRM
CSc1cc(C([O-])=C(C#N)c2nc(C)cs2)co1	ZINC000633894268	351393258	/nfs/dbraw/zinc/39/32/58/351393258.db2.gz	GWKWYBJKSLCSJV-VIFPVBQESA-N	-1	0	278.358	3.257	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)CC2(C(=O)[O-])CCCCCC2)C1	ZINC000634938359	351606578	/nfs/dbraw/zinc/60/65/78/351606578.db2.gz	GEQQZPZLAPXWFT-AWEZNQCLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
N#CC(=C([O-])c1ccc(F)cc1)c1nc2ccccc2o1	ZINC000041546332	369191029	/nfs/dbraw/zinc/19/10/29/369191029.db2.gz	RYLAUIQNGCLQLA-LBPRGKRZSA-N	-1	0	280.258	3.457	20	30		CGEDRM
N#CC(=C([O-])c1cccc(F)c1)c1nc2ccccc2o1	ZINC000041545728	369191043	/nfs/dbraw/zinc/19/10/43/369191043.db2.gz	QCNNZLPQZQQFCE-LBPRGKRZSA-N	-1	0	280.258	3.457	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NCCCCCC(=O)[O-]	ZINC000062784861	369630133	/nfs/dbraw/zinc/63/01/33/369630133.db2.gz	PHPITTLIFSZGGH-UHFFFAOYSA-N	-1	0	266.728	3.269	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000112483364	370428682	/nfs/dbraw/zinc/42/86/82/370428682.db2.gz	KFQZSDUUVIWVEU-QMMMGPOBSA-N	-1	0	278.358	3.257	20	30		CGEDRM
CS[C@H]1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000117107601	370577582	/nfs/dbraw/zinc/57/75/82/370577582.db2.gz	XKXPXHJBQQJMAV-KQAANWFRSA-N	-1	0	294.376	3.394	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1cc(C)ccc1C1CC1)C(=O)[O-]	ZINC000425250924	372117954	/nfs/dbraw/zinc/11/79/54/372117954.db2.gz	GEHDPEZIFOFTMN-HNNXBMFYSA-N	-1	0	287.359	3.022	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1ccc(C(F)(F)F)cn1	ZINC000429671469	372375644	/nfs/dbraw/zinc/37/56/44/372375644.db2.gz	KXXMPWMFELEQCG-QMMMGPOBSA-N	-1	0	297.261	3.047	20	30		CGEDRM
N#CCCCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000171417179	372754210	/nfs/dbraw/zinc/75/42/10/372754210.db2.gz	HBVLOQLCXYAYDM-OVCLIPMQSA-N	-1	0	281.699	3.067	20	30		CGEDRM
C=CCN(CCC#N)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000436842803	372840374	/nfs/dbraw/zinc/84/03/74/372840374.db2.gz	XNFLXSIIOCMKJN-UHFFFAOYSA-N	-1	0	299.157	3.241	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cc(F)ccc1O	ZINC000175248546	373438306	/nfs/dbraw/zinc/43/83/06/373438306.db2.gz	HYKPVCDEURKOKV-UHFFFAOYSA-N	-1	0	265.328	3.350	20	30		CGEDRM
CCc1ncsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178958222	373820933	/nfs/dbraw/zinc/82/09/33/373820933.db2.gz	OFZMWYOZSYYWFG-VIFPVBQESA-N	-1	0	297.339	3.337	20	30		CGEDRM
C=C(C)CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000183056434	374366404	/nfs/dbraw/zinc/36/64/04/374366404.db2.gz	ITOZLMBPEMXPJX-UHFFFAOYSA-N	-1	0	274.147	3.347	20	30		CGEDRM
O=C(NCC1(C2CC2)CCC1)c1csc(NC2CC2)n1	ZINC000328651480	374373276	/nfs/dbraw/zinc/37/32/76/374373276.db2.gz	JVKZBENKHNFTHD-UHFFFAOYSA-N	-1	0	291.420	3.024	20	30		CGEDRM
Cc1ccc(O)c(NC(=O)c2coc(C3CCCC3)n2)n1	ZINC000329963418	374445276	/nfs/dbraw/zinc/44/52/76/374445276.db2.gz	PXOBFBAIIZMFQK-UHFFFAOYSA-N	-1	0	287.319	3.378	20	30		CGEDRM
N#Cc1c(F)cccc1C(=O)Nc1cc(Cl)ccc1[O-]	ZINC000187068589	374966329	/nfs/dbraw/zinc/96/63/29/374966329.db2.gz	OUJCWHVNIXUMTA-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1cccc(CC(=O)Nc2ccc(O)c(Cl)c2)c1	ZINC000541888487	376490588	/nfs/dbraw/zinc/49/05/88/376490588.db2.gz	RQHHCVNIBNHSKZ-UHFFFAOYSA-N	-1	0	286.718	3.098	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000543565381	376655937	/nfs/dbraw/zinc/65/59/37/376655937.db2.gz	DIYWBHVTQHWXSW-MRVPVSSYSA-N	-1	0	287.281	3.284	20	30		CGEDRM
Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000252394578	377619658	/nfs/dbraw/zinc/61/96/58/377619658.db2.gz	XPWPPCZIJFIZOU-UHFFFAOYSA-N	-1	0	256.261	3.359	20	30		CGEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000342449380	377648615	/nfs/dbraw/zinc/64/86/15/377648615.db2.gz	QWURHNQKSLZWHB-GFCCVEGCSA-N	-1	0	293.326	3.273	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000274449795	378835046	/nfs/dbraw/zinc/83/50/46/378835046.db2.gz	IRCKATHLUSSWLH-UHFFFAOYSA-N	-1	0	271.719	3.223	20	30		CGEDRM
CCC[C@H](CC)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000279841519	379531217	/nfs/dbraw/zinc/53/12/17/379531217.db2.gz	DALQARFHWCGDKX-LBPRGKRZSA-N	-1	0	290.392	3.118	20	30		CGEDRM
CC(C)(C)Oc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1	ZINC000354460714	380448466	/nfs/dbraw/zinc/44/84/66/380448466.db2.gz	FRHGFEOLHFXVNU-AWEZNQCLSA-N	-1	0	295.342	3.144	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000238064964	131075164	/nfs/dbraw/zinc/07/51/64/131075164.db2.gz	WJULNVPKXBSERI-UHFFFAOYSA-N	-1	0	273.332	3.021	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379011	392711887	/nfs/dbraw/zinc/71/18/87/392711887.db2.gz	UWEZZZNVMAETDH-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC000335109091	392772042	/nfs/dbraw/zinc/77/20/42/392772042.db2.gz	IVWJCULOZJGHIW-IONNQARKSA-N	-1	0	299.157	3.121	20	30		CGEDRM
C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc21	ZINC000190734040	392817427	/nfs/dbraw/zinc/81/74/27/392817427.db2.gz	IRIRUDFHEQAEOI-GFCCVEGCSA-N	-1	0	292.338	3.418	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1	ZINC000338317888	392909348	/nfs/dbraw/zinc/90/93/48/392909348.db2.gz	XOONQRIFRIVCFH-CQSZACIVSA-N	-1	0	297.383	3.305	20	30		CGEDRM
C=CCC1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCC1	ZINC000649364607	393405840	/nfs/dbraw/zinc/40/58/40/393405840.db2.gz	DSSBWKHMYLAWHP-CYBMUJFWSA-N	-1	0	293.407	3.082	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cs1	ZINC000671768171	543188044	/nfs/dbraw/zinc/18/80/44/543188044.db2.gz	NSYVYFVEUIQIIA-LLVKDONJSA-N	-1	0	296.355	3.126	20	30		CGEDRM
CC(=O)c1ccc([O-])c(NC(=O)CCCCCC#N)c1	ZINC000673055289	543233062	/nfs/dbraw/zinc/23/30/62/543233062.db2.gz	DJEQIKNIOMFIFA-UHFFFAOYSA-N	-1	0	274.320	3.007	20	30		CGEDRM
C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000334655057	225258409	/nfs/dbraw/zinc/25/84/09/225258409.db2.gz	LWNFMIVHFIOYSS-PWCHPLFNSA-N	-1	0	285.130	3.187	20	30		CGEDRM
C[C@H](CSCc1cc(Cl)ccc1OCC#N)C(=O)[O-]	ZINC000736614695	572800213	/nfs/dbraw/zinc/80/02/13/572800213.db2.gz	XSOLHRIMLIHTGV-SECBINFHSA-N	-1	0	299.779	3.196	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000659166299	418963143	/nfs/dbraw/zinc/96/31/43/418963143.db2.gz	JYKCVLGFPBGIAL-TUVASFSCSA-N	-1	0	293.407	3.129	20	30		CGEDRM
N#C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C1CCCCC1	ZINC000040360313	260222023	/nfs/dbraw/zinc/22/20/23/260222023.db2.gz	LGIOQXAXECYOBX-CYBMUJFWSA-N	-1	0	292.766	3.248	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1	ZINC000427778171	260835184	/nfs/dbraw/zinc/83/51/84/260835184.db2.gz	AXIMNCKGWKCEAS-UHFFFAOYSA-N	-1	0	299.358	3.137	20	30		CGEDRM
COC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCCC1	ZINC000186844398	262112135	/nfs/dbraw/zinc/11/21/35/262112135.db2.gz	KNOBKXJOWQUGQS-MHWRWJLKSA-N	-1	0	292.335	3.069	20	30		CGEDRM
CC(C)c1ccc(C(=O)N2CCC(C)(C#N)CC2)c(O)c1	ZINC000272513981	263005602	/nfs/dbraw/zinc/00/56/02/263005602.db2.gz	JRKOYFZUXUMIQC-UHFFFAOYSA-N	-1	0	286.375	3.281	20	30		CGEDRM
C=CCC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1	ZINC000340765045	263304888	/nfs/dbraw/zinc/30/48/88/263304888.db2.gz	CKJMROAHDNJUNH-UHFFFAOYSA-N	-1	0	289.291	3.204	20	30		CGEDRM
CCc1nc(NC(=O)c2ncc(C)cc2[O-])sc1C	ZINC000330877662	264060586	/nfs/dbraw/zinc/06/05/86/264060586.db2.gz	KRYWBOVYMIPBSK-UHFFFAOYSA-N	-1	0	277.349	3.059	20	30		CGEDRM
C[C@H](CC(C)(C)O)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000331315271	264187735	/nfs/dbraw/zinc/18/77/35/264187735.db2.gz	CUPXJBIBHAJPIW-SSDOTTSWSA-N	-1	0	289.734	3.039	20	30		CGEDRM
C[C@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC=CCC1	ZINC000331349240	264205938	/nfs/dbraw/zinc/20/59/38/264205938.db2.gz	NJFFIXXNVXOFSG-AWEZNQCLSA-N	-1	0	276.292	3.104	20	30		CGEDRM
C=C[C@H]1CCCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000563206050	327964053	/nfs/dbraw/zinc/96/40/53/327964053.db2.gz	XYFXURADIMOAOP-NSHDSACASA-N	-1	0	290.319	3.146	20	30		CGEDRM
C=CCn1c(SCC[C@@H]2CCC[C@H](C)C2)n[n-]c1=N	ZINC000531793594	328034790	/nfs/dbraw/zinc/03/47/90/328034790.db2.gz	CWUOSVVSFVZEGE-RYUDHWBXSA-N	-1	0	280.441	3.185	20	30		CGEDRM
CC(=Cc1ccc(C)c(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000574867527	322460673	/nfs/dbraw/zinc/46/06/73/322460673.db2.gz	MLKLCHDWRQGPNH-UXBLZVDNSA-N	-1	0	299.761	3.472	20	30		CGEDRM
N#CCCCCN=c1nc(C2CCCCC2)[n-]s1	ZINC000420590626	329778432	/nfs/dbraw/zinc/77/84/32/329778432.db2.gz	WSFQBWVFPHRCIU-UHFFFAOYSA-N	-1	0	264.398	3.113	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000429582319	329935510	/nfs/dbraw/zinc/93/55/10/329935510.db2.gz	AXQDWVWQCOHTNH-NSHDSACASA-N	-1	0	285.372	3.460	20	30		CGEDRM
N#C[C@H]1CCC[C@@H](Nc2cccc(CCC(=O)[O-])c2)C1	ZINC000263490648	330057651	/nfs/dbraw/zinc/05/76/51/330057651.db2.gz	ILIQOCVIAGEORG-DZGCQCFKSA-N	-1	0	272.348	3.198	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000430529937	330568848	/nfs/dbraw/zinc/56/88/48/330568848.db2.gz	JHWNZDGRNKCHMG-NSHDSACASA-N	-1	0	280.283	3.473	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(CCCCC)s1	ZINC000466395557	331394734	/nfs/dbraw/zinc/39/47/34/331394734.db2.gz	JYCJPRPUSGCLCO-LLVKDONJSA-N	-1	0	296.440	3.169	20	30		CGEDRM
C=CCCCC(=O)N=c1nc(-c2sccc2C)[n-]s1	ZINC000472276600	331534554	/nfs/dbraw/zinc/53/45/54/331534554.db2.gz	HYAGMZAXMPKJPR-UHFFFAOYSA-N	-1	0	293.417	3.292	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000544408171	333929806	/nfs/dbraw/zinc/92/98/06/333929806.db2.gz	SUFASIQFKYGDRU-UHFFFAOYSA-N	-1	0	273.332	3.400	20	30		CGEDRM
COc1cc(C)ccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000548708170	334166775	/nfs/dbraw/zinc/16/67/75/334166775.db2.gz	QVVMSZMTPJQVBH-GFCCVEGCSA-N	-1	0	286.356	3.259	20	30		CGEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@@H]1C[C@]12CCOC2	ZINC000329654920	534332544	/nfs/dbraw/zinc/33/25/44/534332544.db2.gz	LWQUPBPVTFHBAA-MADCSZMMSA-N	-1	0	280.374	3.372	20	30		CGEDRM
N#Cc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1[O-]	ZINC000427652770	534763315	/nfs/dbraw/zinc/76/33/15/534763315.db2.gz	WQYYXJUGMXVEGD-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)s1	ZINC000049487730	525592756	/nfs/dbraw/zinc/59/27/56/525592756.db2.gz	YMFZCLCXUIZYRR-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CCCc1nc(=N[C@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000419018854	528690513	/nfs/dbraw/zinc/69/05/13/528690513.db2.gz	UGQZCEIOKHMLKT-AWEZNQCLSA-N	-1	0	298.415	3.274	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2CCC(C)C)n1	ZINC000727252413	571733992	/nfs/dbraw/zinc/73/39/92/571733992.db2.gz	YJBNWRYPZWBVRF-LBPRGKRZSA-N	-1	0	276.384	3.495	20	30		CGEDRM
O=C([O-])c1cc(F)ccc1CON=Cc1ccc(F)cc1	ZINC000740078900	571685025	/nfs/dbraw/zinc/68/50/25/571685025.db2.gz	WYBJGVMOYWUKPF-UHFFFAOYSA-N	-1	0	291.253	3.214	20	30		CGEDRM
C=CCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000738488084	571800853	/nfs/dbraw/zinc/80/08/53/571800853.db2.gz	HEQDIDISZOTSCK-UHFFFAOYSA-N	-1	0	274.320	3.022	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1ccoc1C(=O)[O-])CC2	ZINC000738074371	572364527	/nfs/dbraw/zinc/36/45/27/572364527.db2.gz	QWSFHVSLTGEMHL-FLIBITNWSA-N	-1	0	298.294	3.199	20	30		CGEDRM
N#Cc1ccccc1CNc1ccc(F)c(NC(=O)[O-])c1	ZINC000739147714	572402565	/nfs/dbraw/zinc/40/25/65/572402565.db2.gz	ZKJRRAZOXCFEGX-UHFFFAOYSA-N	-1	0	285.278	3.399	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1	ZINC000739330750	572410620	/nfs/dbraw/zinc/41/06/20/572410620.db2.gz	NZUNUJYNTDGFAV-ZIAGYGMSSA-N	-1	0	298.427	3.242	20	30		CGEDRM
O=C([O-])CCCOc1ccc(N=Cc2ccccc2O)cc1	ZINC000739683552	572421913	/nfs/dbraw/zinc/42/19/13/572421913.db2.gz	WMMQBWAUQFSKKH-UHFFFAOYSA-N	-1	0	299.326	3.386	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Oc3ccc(Cl)cc3C2=O)o1	ZINC000740123867	572433200	/nfs/dbraw/zinc/43/32/00/572433200.db2.gz	QTETZZJPNNCEQV-WUXMJOGZSA-N	-1	0	290.658	3.247	20	30		CGEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C[C@H](C)CCC	ZINC000732906337	572490354	/nfs/dbraw/zinc/49/03/54/572490354.db2.gz	XKOGEAKRDBPGAW-CYBMUJFWSA-N	-1	0	291.457	3.229	20	30		CGEDRM
O=[N+]([O-])c1ccc(CN=Nc2c(F)cccc2F)cc1[O-]	ZINC000735615443	572734524	/nfs/dbraw/zinc/73/45/24/572734524.db2.gz	PTUOVNKPTPTHCJ-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1	ZINC000736091485	572767989	/nfs/dbraw/zinc/76/79/89/572767989.db2.gz	WGCWBQTZWIGPMZ-UHFFFAOYSA-N	-1	0	280.283	3.010	20	30		CGEDRM
C=CCCCOC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC000736102582	572768319	/nfs/dbraw/zinc/76/83/19/572768319.db2.gz	QRYRKMKOJCWTRN-UHFFFAOYSA-N	-1	0	279.336	3.097	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=CC2CC2)n1	ZINC000747198004	572918515	/nfs/dbraw/zinc/91/85/15/572918515.db2.gz	REVYCZNFOLJBCL-ISALQUGTSA-N	-1	0	260.362	3.409	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3[nH]2)c1	ZINC000748003483	572957133	/nfs/dbraw/zinc/95/71/33/572957133.db2.gz	YISXFCYXUPESTE-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410470	572975837	/nfs/dbraw/zinc/97/58/37/572975837.db2.gz	NEIQHEAWCKXOHO-YPMHNXCESA-N	-1	0	272.348	3.419	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2ccc(Cl)nc2)cc1F	ZINC000749860051	573048794	/nfs/dbraw/zinc/04/87/94/573048794.db2.gz	VPUOLSBQCCDGOV-UHFFFAOYSA-N	-1	0	283.665	3.165	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNC1CCC(F)(F)CC1	ZINC000901340854	620857336	/nfs/dbraw/zinc/85/73/36/620857336.db2.gz	PFHONVHPPPVRDO-UHFFFAOYSA-N	-1	0	288.338	3.175	20	30		CGEDRM
O=C([O-])c1cccc(C=CC(=O)c2c[nH]c3ncccc23)c1	ZINC000774135350	598201736	/nfs/dbraw/zinc/20/17/36/598201736.db2.gz	JNKYHLZVJBVGGH-VOTSOKGWSA-N	-1	0	292.294	3.157	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(CCC(=O)[O-])cc2)cc1	ZINC000014979014	599857244	/nfs/dbraw/zinc/85/72/44/599857244.db2.gz	WMSXWVHZXFPMQE-UHFFFAOYSA-N	-1	0	280.327	3.188	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(COC(=O)CCSCC(=O)[O-])CC1	ZINC000825642001	601194432	/nfs/dbraw/zinc/19/44/32/601194432.db2.gz	CZEOOTMAIABEBA-CYBMUJFWSA-N	-1	0	298.404	3.040	20	30		CGEDRM
Cc1cc(NCc2cccc(C#N)c2)ccc1C(=O)[O-]	ZINC000127281440	601248902	/nfs/dbraw/zinc/24/89/02/601248902.db2.gz	QADGXJUMMOQUIQ-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000825671618	601437147	/nfs/dbraw/zinc/43/71/47/601437147.db2.gz	XQARXUXZPXPGKJ-UHFFFAOYSA-N	-1	0	262.309	3.096	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000825671053	601451544	/nfs/dbraw/zinc/45/15/44/601451544.db2.gz	BQFKAYBLZDCNIA-UHFFFAOYSA-N	-1	0	267.712	3.333	20	30		CGEDRM
O=C([O-])c1occc1/C=C/C(=O)c1cc(F)cc(F)c1	ZINC000833093763	601763764	/nfs/dbraw/zinc/76/37/64/601763764.db2.gz	AGRIEQBJZCDWCA-OWOJBTEDSA-N	-1	0	278.210	3.152	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\CCCc3ccccc3C2=O)c[nH]1	ZINC000833298033	601791509	/nfs/dbraw/zinc/79/15/09/601791509.db2.gz	MKHROBAMWHXYDP-MDWZMJQESA-N	-1	0	281.311	3.316	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c(C)s1	ZINC000832859497	601792253	/nfs/dbraw/zinc/79/22/53/601792253.db2.gz	RKFRXGWPIHVECP-ARJAWSKDSA-N	-1	0	275.329	3.287	20	30		CGEDRM
O=C([O-])Cc1cccc(NCC#Cc2ccc(Cl)cc2)c1	ZINC000833268242	601967167	/nfs/dbraw/zinc/96/71/67/601967167.db2.gz	UIOSSMYNTOWIMG-UHFFFAOYSA-N	-1	0	299.757	3.431	20	30		CGEDRM
Cc1cccc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000794855140	602065488	/nfs/dbraw/zinc/06/54/88/602065488.db2.gz	OGQUEHJKAVKZNG-CYBMUJFWSA-N	-1	0	298.342	3.293	20	30		CGEDRM
N#Cc1cccc(SCc2cc(C(=O)[O-])co2)c1	ZINC000833075215	602290534	/nfs/dbraw/zinc/29/05/34/602290534.db2.gz	OBIKYVDFYWGYMC-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
C=CCCCC(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000823496189	603951900	/nfs/dbraw/zinc/95/19/00/603951900.db2.gz	FJUCCHQCOVCMSC-UHFFFAOYSA-N	-1	0	274.320	3.022	20	30		CGEDRM
Cc1c(C#N)cccc1NCc1cccc(C(=O)[O-])c1	ZINC000832849620	604400936	/nfs/dbraw/zinc/40/09/36/604400936.db2.gz	MAWZOBOVVXTNGG-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C=CCCCC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825671013	604595236	/nfs/dbraw/zinc/59/52/36/604595236.db2.gz	AQNYPQPUHSWXCT-SNVBAGLBSA-N	-1	0	266.293	3.247	20	30		CGEDRM
C/C=C(/C=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC	ZINC000828542844	604619111	/nfs/dbraw/zinc/61/91/11/604619111.db2.gz	OBHMWYYLXZTFFX-CTBHDPHQSA-N	-1	0	299.326	3.140	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc3c(c2)CCO3)cc1	ZINC000833309878	604627912	/nfs/dbraw/zinc/62/79/12/604627912.db2.gz	HWYSYMIOHOCVAR-XFSBKJJWSA-N	-1	0	294.306	3.216	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833010836	604630853	/nfs/dbraw/zinc/63/08/53/604630853.db2.gz	WZQGAFJCECQACD-VOTSOKGWSA-N	-1	0	273.313	3.046	20	30		CGEDRM
C=C[C@@H](CC(=O)N[C@@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000761649044	604771254	/nfs/dbraw/zinc/77/12/54/604771254.db2.gz	ISSPEXNABMJPEF-GUYCJALGSA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#Cc1c(Cl)nsc1NCCCCCCC(=O)[O-]	ZINC000833760860	604824460	/nfs/dbraw/zinc/82/44/60/604824460.db2.gz	GKVNHTKMSKHERX-UHFFFAOYSA-N	-1	0	287.772	3.115	20	30		CGEDRM
C[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21	ZINC000828410412	604961093	/nfs/dbraw/zinc/96/10/93/604961093.db2.gz	BGZZHBKYFCAUEX-SJCJKPOMSA-N	-1	0	292.338	3.308	20	30		CGEDRM
C=CCC[C@@H](C)OC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833373677	604991810	/nfs/dbraw/zinc/99/18/10/604991810.db2.gz	XRJSDRAEMQYQFH-GFCCVEGCSA-N	-1	0	276.332	3.215	20	30		CGEDRM
C=C(C)COc1cccc(N[C@H](C(=O)[O-])c2cccnc2)c1	ZINC000825647836	604998952	/nfs/dbraw/zinc/99/89/52/604998952.db2.gz	VYJCNNPBFYOCML-INIZCTEOSA-N	-1	0	298.342	3.274	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000236457553	605005767	/nfs/dbraw/zinc/00/57/67/605005767.db2.gz	UXKCXUANSDOOPQ-UHFFFAOYSA-N	-1	0	279.723	3.170	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000398007839	605059341	/nfs/dbraw/zinc/05/93/41/605059341.db2.gz	AKLXTDMTUQDNLT-LBPRGKRZSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1ccccc1NC(=O)[O-]	ZINC000833374113	605076562	/nfs/dbraw/zinc/07/65/62/605076562.db2.gz	RZKYCRLWNUOWHR-LLVKDONJSA-N	-1	0	276.336	3.251	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cnc(C2CC2)s1	ZINC000761805083	605097508	/nfs/dbraw/zinc/09/75/08/605097508.db2.gz	WXNSZCVUCFINGY-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(F)c(F)c1	ZINC000812442189	605098920	/nfs/dbraw/zinc/09/89/20/605098920.db2.gz	SSPMPWVZDZHANI-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC=CCc1ccccc1	ZINC000812442446	605100944	/nfs/dbraw/zinc/10/09/44/605100944.db2.gz	CDVIBJYNZGEXEX-FUMQGXJOSA-N	-1	0	266.300	3.496	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccccc1Cl	ZINC000812442687	605101102	/nfs/dbraw/zinc/10/11/02/605101102.db2.gz	HEOHNYKWLWEGSE-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
CCN(Cc1cccc(NCc2ccc(C#N)o2)c1)C(=O)[O-]	ZINC000827172454	605245805	/nfs/dbraw/zinc/24/58/05/605245805.db2.gz	XXVBFLZJTMLZSD-UHFFFAOYSA-N	-1	0	299.330	3.263	20	30		CGEDRM
N#Cc1ccc(CSCC2CCN(C(=O)[O-])CC2)cc1	ZINC000833973841	605408938	/nfs/dbraw/zinc/40/89/38/605408938.db2.gz	NYKFWPOAMAODJK-UHFFFAOYSA-N	-1	0	290.388	3.181	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F	ZINC000833386983	605593264	/nfs/dbraw/zinc/59/32/64/605593264.db2.gz	IGKREZWLIFCYCA-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc(O)c1O	ZINC000899380226	620687713	/nfs/dbraw/zinc/68/77/13/620687713.db2.gz	FQPWNOOVJIDSQL-WAYWQWQTSA-N	-1	0	298.342	3.224	20	30		CGEDRM
CCc1onc(C)c1/C=C/C(=O)c1cc(C)c(O)c(O)c1	ZINC000899380743	620687832	/nfs/dbraw/zinc/68/78/32/620687832.db2.gz	JYOLTNPPXUNIPL-AATRIKPKSA-N	-1	0	287.315	3.161	20	30		CGEDRM
C=CCN(CC=C)Cc1cc(C(=O)[O-])ccc1Cl	ZINC000833374471	605829104	/nfs/dbraw/zinc/82/91/04/605829104.db2.gz	KWLGPXBYTUIXQR-UHFFFAOYSA-N	-1	0	265.740	3.212	20	30		CGEDRM
O=C([O-])Nc1cccc(CON=Cc2cccc(F)c2)c1	ZINC000834269638	605992098	/nfs/dbraw/zinc/99/20/98/605992098.db2.gz	KMSMRQPTOGRPPJ-UHFFFAOYSA-N	-1	0	288.278	3.466	20	30		CGEDRM
CCC[C@H](C(=O)[N-]S(=O)(=O)C(C)C)c1ccccc1	ZINC000049417744	617607770	/nfs/dbraw/zinc/60/77/70/617607770.db2.gz	BMMGAXHBEFZEIU-ZDUSSCGKSA-N	-1	0	283.393	3.265	20	30		CGEDRM
CCCCc1ccc(CC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417510	617608034	/nfs/dbraw/zinc/60/80/34/617608034.db2.gz	WDXVGEXAKLLZQJ-UHFFFAOYSA-N	-1	0	297.420	3.266	20	30		CGEDRM
C=CCCOCC/N=C\c1cc(Cl)ccc1O	ZINC000254953718	617689752	/nfs/dbraw/zinc/68/97/52/617689752.db2.gz	SWJJAFLRRANJPV-GDNBJRDFSA-N	-1	0	253.729	3.057	20	30		CGEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000254989237	617717288	/nfs/dbraw/zinc/71/72/88/617717288.db2.gz	DNDIOYOPGROZSW-SREVYHEPSA-N	-1	0	257.289	3.202	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC/C=C\Cl)CCC2	ZINC000811672207	617717571	/nfs/dbraw/zinc/71/75/71/617717571.db2.gz	SSCKOTUFULDCSY-QKDPKPEMSA-N	-1	0	283.711	3.096	20	30		CGEDRM
O=C1c2ccccc2C/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000255039476	617773533	/nfs/dbraw/zinc/77/35/33/617773533.db2.gz	HFLBYJHLJZJTEC-WQLSENKSSA-N	-1	0	281.267	3.123	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])c1	ZINC000900354809	620781900	/nfs/dbraw/zinc/78/19/00/620781900.db2.gz	AQFDONZLNHOTFD-CQSZACIVSA-N	-1	0	288.347	3.191	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)c(F)c1	ZINC000075040212	618619466	/nfs/dbraw/zinc/61/94/66/618619466.db2.gz	MEFODYWXOUDDNO-UHFFFAOYSA-N	-1	0	287.356	3.216	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2C#N)n1	ZINC000255542560	618661351	/nfs/dbraw/zinc/66/13/51/618661351.db2.gz	XGWOJGSIOVSSAG-LMVHVUTASA-N	-1	0	293.351	3.213	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000176816918	618739904	/nfs/dbraw/zinc/73/99/04/618739904.db2.gz	CJZPSJWSAQMOOZ-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ncsc2C2CC2)n1	ZINC000892416990	618766644	/nfs/dbraw/zinc/76/66/44/618766644.db2.gz	DBIATFFBYLDZCA-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000255741678	618784018	/nfs/dbraw/zinc/78/40/18/618784018.db2.gz	VLBBVGDTTWHJNS-QMVOMWQRSA-N	-1	0	286.158	3.438	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cnn3ccccc23)c([O-])c1	ZINC000255832207	618795728	/nfs/dbraw/zinc/79/57/28/618795728.db2.gz	RMTLNCCYBFJNNL-VURMDHGXSA-N	-1	0	278.311	3.244	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccnc3ccccc23)cc1	ZINC000013143395	618809852	/nfs/dbraw/zinc/80/98/52/618809852.db2.gz	DXWGKCVPDCCDQP-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
O=C(/C=C\c1cncs1)c1cc(Cl)ccc1[O-]	ZINC000255901110	618873544	/nfs/dbraw/zinc/87/35/44/618873544.db2.gz	NDPQZSRXERBBTR-RQOWECAXSA-N	-1	0	265.721	3.398	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1	ZINC000221619229	618873962	/nfs/dbraw/zinc/87/39/62/618873962.db2.gz	CPNQYNDHZQPVGC-WSROAFLRSA-N	-1	0	268.341	3.341	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000314548327	619004100	/nfs/dbraw/zinc/00/41/00/619004100.db2.gz	YRXGSEQHPLDNFD-UHFFFAOYSA-N	-1	0	292.335	3.167	20	30		CGEDRM
N#Cc1csc(C=CC(=O)c2sccc2[O-])c1	ZINC000193149073	619126932	/nfs/dbraw/zinc/12/69/32/619126932.db2.gz	NNQKFNJMPKULIW-OWOJBTEDSA-N	-1	0	261.327	3.283	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1O	ZINC000199510884	619218237	/nfs/dbraw/zinc/21/82/37/619218237.db2.gz	PJIBSNKWGMAWBJ-VURMDHGXSA-N	-1	0	270.284	3.003	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2o1	ZINC000179008529	619735394	/nfs/dbraw/zinc/73/53/94/619735394.db2.gz	PUJZITVCNWTLQW-GWJCSSMESA-N	-1	0	289.294	3.112	20	30		CGEDRM
Cc1cc(O)c(CN2CCC[C@H](C#N)C2)cc1Cl	ZINC000896500543	620017895	/nfs/dbraw/zinc/01/78/95/620017895.db2.gz	HESBJPSNLGJJPQ-LLVKDONJSA-N	-1	0	264.756	3.090	20	30		CGEDRM
CN1CCc2cc(/C=C/C(=O)c3ccccc3[O-])ccc21	ZINC000751535204	620190431	/nfs/dbraw/zinc/19/04/31/620190431.db2.gz	MSWCVKBLDBZYOJ-VQHVLOKHSA-N	-1	0	279.339	3.281	20	30		CGEDRM
C=CCCC[C@H](C(=O)N[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000901426540	620883777	/nfs/dbraw/zinc/88/37/77/620883777.db2.gz	LADIKCIWKGPUTF-HIFRSBDPSA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#Cc1sccc1-c1cccc2c1C[C@H]1[C@@H]2[C@H]1C(=O)[O-]	ZINC000906243155	622196303	/nfs/dbraw/zinc/19/63/03/622196303.db2.gz	QVTPTAZOZZWUBN-CFVMTHIKSA-N	-1	0	281.336	3.257	20	30		CGEDRM
CC#Cc1cccc(-c2cn(C(C)C)nc2C(=O)[O-])c1	ZINC000906240395	622203953	/nfs/dbraw/zinc/20/39/53/622203953.db2.gz	BOLCTJXCYBFNIW-UHFFFAOYSA-N	-1	0	268.316	3.201	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000907583283	622302234	/nfs/dbraw/zinc/30/22/34/622302234.db2.gz	AWFWXWZSGXUIDU-ZENOOKHLSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000907586517	622302893	/nfs/dbraw/zinc/30/28/93/622302893.db2.gz	SQLMTTJMWAESDN-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909078949	622393983	/nfs/dbraw/zinc/39/39/83/622393983.db2.gz	NBTSWSNXTJXGHR-HNNXBMFYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909836040	622430444	/nfs/dbraw/zinc/43/04/44/622430444.db2.gz	ZTMDMVHYYSWYRM-MEDUHNTESA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000910197715	622465307	/nfs/dbraw/zinc/46/53/07/622465307.db2.gz	NNWVXEXRORNZSB-INIZCTEOSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)C[C@H](C)CC(=O)[O-]	ZINC000911401582	622531928	/nfs/dbraw/zinc/53/19/28/622531928.db2.gz	KFCUTMLIZYQUDB-LBPRGKRZSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CCCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C	ZINC000911739611	622547191	/nfs/dbraw/zinc/54/71/91/622547191.db2.gz	VVHFUVXBAWNQCG-UHFFFAOYSA-N	-1	0	277.320	3.077	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccc(C#N)c2)c([O-])c1	ZINC000156620483	622830438	/nfs/dbraw/zinc/83/04/38/622830438.db2.gz	XUNURIYUZSOAJH-VMPITWQZSA-N	-1	0	279.295	3.169	20	30		CGEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F	ZINC000157201842	622885615	/nfs/dbraw/zinc/88/56/15/622885615.db2.gz	LYOZJSUXYLBVDH-VMPITWQZSA-N	-1	0	287.246	3.336	20	30		CGEDRM
Oc1ccc2ccccc2c1C=NO[C@H]1CCCCO1	ZINC000755822228	625613526	/nfs/dbraw/zinc/61/35/26/625613526.db2.gz	GRPPQDDAJIZINP-INIZCTEOSA-N	-1	0	271.316	3.423	20	30		CGEDRM
C[C@@H]1C(=NOC2CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814894649	625667468	/nfs/dbraw/zinc/66/74/68/625667468.db2.gz	OUEIWOPDBVLIOW-ZYHUDNBSSA-N	-1	0	267.369	3.459	20	30		CGEDRM
O=C([O-])c1ccccc1NN=C1CSCc2ccccc21	ZINC000915956448	624079615	/nfs/dbraw/zinc/07/96/15/624079615.db2.gz	UBGHFTGNRWENQO-UHFFFAOYSA-N	-1	0	298.367	3.448	20	30		CGEDRM
Cc1cc(N(C)C)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000915978503	624087408	/nfs/dbraw/zinc/08/74/08/624087408.db2.gz	HLKSNIXZNSGJJR-UHFFFAOYSA-N	-1	0	299.330	3.425	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(F)cc2F)c1	ZINC000916250939	624132425	/nfs/dbraw/zinc/13/24/25/624132425.db2.gz	RZLVFHJIJKVEFI-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2c[nH]c3cc(F)ccc23)c1	ZINC000917530959	624283698	/nfs/dbraw/zinc/28/36/98/624283698.db2.gz	KYAJVPCTIPYFHA-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
CCCCCCCOC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000918493562	624352287	/nfs/dbraw/zinc/35/22/87/624352287.db2.gz	BAGADIKZEIVBGT-UHFFFAOYSA-N	-1	0	254.286	3.050	20	30		CGEDRM
CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)C	ZINC000070036237	624943355	/nfs/dbraw/zinc/94/33/55/624943355.db2.gz	OYMBTEDWPIKXAT-LLVKDONJSA-N	-1	0	263.403	3.001	20	30		CGEDRM
N#CC1CCC(COC(=O)c2c(F)cc([O-])cc2F)CC1	ZINC000922467976	626007555	/nfs/dbraw/zinc/00/75/55/626007555.db2.gz	KENLKGSEWHJQCJ-UHFFFAOYSA-N	-1	0	295.285	3.157	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(Cl)c1	ZINC000073838479	626070450	/nfs/dbraw/zinc/07/04/50/626070450.db2.gz	SFGSLQRGRVFYPA-UHFFFAOYSA-N	-1	0	289.784	3.163	20	30		CGEDRM
CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000073838378	626070482	/nfs/dbraw/zinc/07/04/82/626070482.db2.gz	LBWACDBERUCHDK-SNVBAGLBSA-N	-1	0	295.470	3.383	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1coc2ccccc12	ZINC000073837816	626070644	/nfs/dbraw/zinc/07/06/44/626070644.db2.gz	JIJIWCAYFBFXHN-UHFFFAOYSA-N	-1	0	295.360	3.256	20	30		CGEDRM
C=C1CC(C)(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)C1	ZINC000923173038	626134388	/nfs/dbraw/zinc/13/43/88/626134388.db2.gz	NDXPYUNFJKKQRH-AWEZNQCLSA-N	-1	0	293.407	3.130	20	30		CGEDRM
Cc1ccc(NN=Cc2cccc(Cl)c2[O-])nc1	ZINC000753165817	626447181	/nfs/dbraw/zinc/44/71/81/626447181.db2.gz	NXEIINFQHKKNLO-UHFFFAOYSA-N	-1	0	261.712	3.195	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2c(O)cccc2Cl)c1	ZINC000755471960	626625116	/nfs/dbraw/zinc/62/51/16/626625116.db2.gz	KRQCAMWPUUFLLF-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000756232107	626685370	/nfs/dbraw/zinc/68/53/70/626685370.db2.gz	QSFUOXQYXOOJMR-DOMZBBRYSA-N	-1	0	286.375	3.047	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc(F)cc2[O-])c1	ZINC000757475124	626782437	/nfs/dbraw/zinc/78/24/37/626782437.db2.gz	HWQYHSHYMGCUAZ-YVMONPNESA-N	-1	0	272.275	3.436	20	30		CGEDRM
CC(=NN[C@H](C)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758116352	626828064	/nfs/dbraw/zinc/82/80/64/626828064.db2.gz	KXQKVBAJTNXEPM-LLVKDONJSA-N	-1	0	299.330	3.375	20	30		CGEDRM
O=C(C#Cc1ccccc1)Nc1cc(Cl)c([O-])cc1F	ZINC000805256007	627122030	/nfs/dbraw/zinc/12/20/30/627122030.db2.gz	HTSJUTMBZSRLLM-UHFFFAOYSA-N	-1	0	289.693	3.175	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cc(Cl)ccc2F)nc1	ZINC000763369664	627154350	/nfs/dbraw/zinc/15/43/50/627154350.db2.gz	ICUBPODSADMXRV-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)o1	ZINC000765824097	627273527	/nfs/dbraw/zinc/27/35/27/627273527.db2.gz	JRAJJMFGHWPZDY-ONEGZZNKSA-N	-1	0	262.286	3.244	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cn1	ZINC000765825611	627273529	/nfs/dbraw/zinc/27/35/29/627273529.db2.gz	QQVVKLHTLFORRW-ARJAWSKDSA-N	-1	0	290.344	3.120	20	30		CGEDRM
C#CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC000769094105	627521942	/nfs/dbraw/zinc/52/19/42/627521942.db2.gz	GNYIXZXRCZIJQR-UHFFFAOYSA-N	-1	0	299.757	3.466	20	30		CGEDRM
CC[C@@H]1C[C@@H](C)CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000769589028	627568007	/nfs/dbraw/zinc/56/80/07/627568007.db2.gz	JEZANIDVLCWSGC-WDEREUQCSA-N	-1	0	275.352	3.394	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Oc3cc(F)ccc3C2=O)cc1	ZINC000773174469	627865505	/nfs/dbraw/zinc/86/55/05/627865505.db2.gz	VZJUADSFJANWHE-AUWJEWJLSA-N	-1	0	284.242	3.140	20	30		CGEDRM
Cc1ccc(F)cc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000777880548	628307248	/nfs/dbraw/zinc/30/72/48/628307248.db2.gz	FSZKSOMAKBMNLT-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000783702343	628741518	/nfs/dbraw/zinc/74/15/18/628741518.db2.gz	WBUQZGDCFVXRGT-UTCJRWHESA-N	-1	0	293.369	3.361	20	30		CGEDRM
O=C([O-])c1cc(N=NCCC[C@H]2CCOC2)ccc1Cl	ZINC000786038369	628909628	/nfs/dbraw/zinc/90/96/28/628909628.db2.gz	UGZPTBUBSUAKNU-JTQLQIEISA-N	-1	0	296.754	3.253	20	30		CGEDRM
CC[C@@H](NN=CC[C@H](C)CCC=C(C)C)C(=O)[O-]	ZINC000793058579	629406585	/nfs/dbraw/zinc/40/65/85/629406585.db2.gz	WADATFDSQPWAFO-CHWSQXEVSA-N	-1	0	254.374	3.198	20	30		CGEDRM
CC[C@H](NN=Cc1cc(-c2ccccc2)cs1)C(=O)[O-]	ZINC000793057080	629406600	/nfs/dbraw/zinc/40/66/00/629406600.db2.gz	ZZSDTSSMHUKADJ-AWEZNQCLSA-N	-1	0	288.372	3.202	20	30		CGEDRM
COCCCC1(CN=Nc2ccc(C(=O)[O-])cc2)CCC1	ZINC000863063395	629466537	/nfs/dbraw/zinc/46/65/37/629466537.db2.gz	PPASDKZKUVEIHR-UHFFFAOYSA-N	-1	0	290.363	3.379	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H](c2ccccc2)C(C)C)n1	ZINC000794449017	629544034	/nfs/dbraw/zinc/54/40/34/629544034.db2.gz	SHDFKQMLTMEKNL-CQSZACIVSA-N	-1	0	284.363	3.328	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000864186640	629795135	/nfs/dbraw/zinc/79/51/35/629795135.db2.gz	UGSVIGOCKYBNQN-NSHDSACASA-N	-1	0	299.754	3.037	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1ccc(C)cc1C)C(=O)[O-]	ZINC000865213974	630027233	/nfs/dbraw/zinc/02/72/33/630027233.db2.gz	LCDAMEMTLCWMHD-GFCCVEGCSA-N	-1	0	296.754	3.021	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2coc3ccccc23)c1	ZINC000802891562	630424864	/nfs/dbraw/zinc/42/48/64/630424864.db2.gz	SYEHFLWLRIILED-UHFFFAOYSA-N	-1	0	292.294	3.191	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c1C	ZINC000806558793	630566921	/nfs/dbraw/zinc/56/69/21/630566921.db2.gz	MDEPWSVOXNJAOP-CMDGGOBGSA-N	-1	0	298.342	3.114	20	30		CGEDRM
O=C([O-])[C@H]1C/C(=C/c2ccc(F)nc2)C(=O)c2ccccc21	ZINC000806559452	630566956	/nfs/dbraw/zinc/56/69/56/630566956.db2.gz	BKXLAJMHEWLFSE-JOHMGYAOSA-N	-1	0	297.285	3.059	20	30		CGEDRM
C#CCO[N-]C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1	ZINC000812785110	631308127	/nfs/dbraw/zinc/30/81/27/631308127.db2.gz	UULJYXXQLOFBCF-UHFFFAOYSA-N	-1	0	293.366	3.312	20	30		CGEDRM
COCC(Cc1ccccc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000814681138	631620898	/nfs/dbraw/zinc/62/08/98/631620898.db2.gz	YMHOWUSGMYIZLY-UHFFFAOYSA-N	-1	0	298.342	3.042	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(F)cc1F	ZINC000814686319	631623091	/nfs/dbraw/zinc/62/30/91/631623091.db2.gz	AJUIUTDSGRHWRP-UHFFFAOYSA-N	-1	0	282.290	3.398	20	30		CGEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2ccc(F)cc2)C1	ZINC000814693219	631624777	/nfs/dbraw/zinc/62/47/77/631624777.db2.gz	CDNXMUYXMJFHTK-UHFFFAOYSA-N	-1	0	298.317	3.410	20	30		CGEDRM
C[C@@H]1C(N=Nc2cc(F)cc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814813071	631646974	/nfs/dbraw/zinc/64/69/74/631646974.db2.gz	HHZZFEOCRCPOOK-IUCAKERBSA-N	-1	0	282.290	3.254	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccccc1Cl	ZINC000814812805	631647130	/nfs/dbraw/zinc/64/71/30/631647130.db2.gz	NQYVMVJMBZAXMZ-UHFFFAOYSA-N	-1	0	294.782	3.451	20	30		CGEDRM
CCC(CC)NN=C(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814850962	631654871	/nfs/dbraw/zinc/65/48/71/631654871.db2.gz	BOJXITQNGLJLGL-LLVKDONJSA-N	-1	0	256.390	3.422	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1cccc(Cl)c1	ZINC000814867597	631659240	/nfs/dbraw/zinc/65/92/40/631659240.db2.gz	LDRPWDPUASPYBO-CMPLNLGQSA-N	-1	0	294.782	3.306	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814872338	631661383	/nfs/dbraw/zinc/66/13/83/631661383.db2.gz	LFYHWRMCYKZCPN-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
C[C@@H]1C(=NOCc2cccnc2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814884270	631664128	/nfs/dbraw/zinc/66/41/28/631664128.db2.gz	TXMCEPWRNHMASA-YPMHNXCESA-N	-1	0	290.363	3.111	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814923974	631683680	/nfs/dbraw/zinc/68/36/80/631683680.db2.gz	SKWHFEZFCBQJEK-NEPJUHHUSA-N	-1	0	291.347	3.089	20	30		CGEDRM
CC(=NOC/C=C/Cl)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814933861	631688695	/nfs/dbraw/zinc/68/86/95/631688695.db2.gz	CYLGVBJODOOLOF-VCEMULHCSA-N	-1	0	297.738	3.032	20	30		CGEDRM
CC(=NOC/C=C\Cl)[C@@H](C)CCCCC(=O)[O-]	ZINC000814934653	631689818	/nfs/dbraw/zinc/68/98/18/631689818.db2.gz	XPTFHSNUMADTDA-URPPQEOCSA-N	-1	0	261.749	3.413	20	30		CGEDRM
CC(=NN[C@H](C)C(C)(C)C)c1csc(C(=O)[O-])c1	ZINC000814937324	631691832	/nfs/dbraw/zinc/69/18/32/631691832.db2.gz	BYCATCCTIMICJQ-SECBINFHSA-N	-1	0	268.382	3.195	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(Cl)n1	ZINC000814939363	631692537	/nfs/dbraw/zinc/69/25/37/631692537.db2.gz	NZBHRYKECNFVIE-UHFFFAOYSA-N	-1	0	281.743	3.168	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCCC1CC1	ZINC000814940815	631693844	/nfs/dbraw/zinc/69/38/44/631693844.db2.gz	AEZHKYARLIDJMK-UHFFFAOYSA-N	-1	0	261.321	3.152	20	30		CGEDRM
O=C([N-]C1(C(F)(F)F)CCCCC1)C(F)C(F)(F)F	ZINC000815577796	631798284	/nfs/dbraw/zinc/79/82/84/631798284.db2.gz	ZHTRPLLMAHPENC-LURJTMIESA-N	-1	0	295.198	3.268	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000819433584	632458574	/nfs/dbraw/zinc/45/85/74/632458574.db2.gz	OTKDDYZQTNILTP-JQWIXIFHSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1	ZINC000866662878	633229035	/nfs/dbraw/zinc/22/90/35/633229035.db2.gz	HCYMZYBBTSEMJS-UHFFFAOYSA-N	-1	0	274.345	3.411	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000825659823	633371197	/nfs/dbraw/zinc/37/11/97/633371197.db2.gz	HGSGKZFPGBPJNS-AWEZNQCLSA-N	-1	0	299.370	3.360	20	30		CGEDRM
CCCCCC[C@H](C)n1[n-]c(C)c(CCC#N)c1=O	ZINC000871959681	633927827	/nfs/dbraw/zinc/92/78/27/633927827.db2.gz	OVWLLPRJLAZPNW-GXTWGEPZSA-N	-1	0	263.385	3.483	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC[C@H]1CCC(F)(F)C1	ZINC000872338556	634110610	/nfs/dbraw/zinc/11/06/10/634110610.db2.gz	SLEHVRZICJBOIG-VIFPVBQESA-N	-1	0	268.263	3.218	20	30		CGEDRM
CC[C@H](C)[C@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834916748	634287517	/nfs/dbraw/zinc/28/75/17/634287517.db2.gz	KFXQVSKBQKDYOZ-ZANVPECISA-N	-1	0	298.770	3.497	20	30		CGEDRM
CC(=NOC(C)C)c1cc(Br)c(F)cc1[O-]	ZINC000834999767	634307688	/nfs/dbraw/zinc/30/76/88/634307688.db2.gz	FLHSDZQOOVSNMS-UHFFFAOYSA-N	-1	0	290.132	3.443	20	30		CGEDRM
CC[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006805	634311615	/nfs/dbraw/zinc/31/16/15/634311615.db2.gz	JQAJAAKSRXTDMM-JTQLQIEISA-N	-1	0	261.325	3.148	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2C2CC2)c(F)c1	ZINC000835008675	634313727	/nfs/dbraw/zinc/31/37/27/634313727.db2.gz	MQWIVILYXBJBLK-SNVBAGLBSA-N	-1	0	262.284	3.112	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CS1	ZINC000835009577	634314582	/nfs/dbraw/zinc/31/45/82/634314582.db2.gz	VUVAVRWGVWEIGY-CYBMUJFWSA-N	-1	0	296.367	3.453	20	30		CGEDRM
CC[C@@H]1C[C@H](CN=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835011241	634315013	/nfs/dbraw/zinc/31/50/13/634315013.db2.gz	DAECCQZZBFEZLP-ZYHUDNBSSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C(C)(C)O1	ZINC000835010406	634315067	/nfs/dbraw/zinc/31/50/67/634315067.db2.gz	ZVQPEHXJJYTOOS-UHFFFAOYSA-N	-1	0	294.326	3.269	20	30		CGEDRM
CO[C@]1(C)CC(N=Nc2ccc(C(=O)[O-])cc2F)C1(C)C	ZINC000835011660	634315966	/nfs/dbraw/zinc/31/59/66/634315966.db2.gz	IEQAPHHVKSCBEO-OAHLLOKOSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C=CCO[N-]C(=O)CSc1ccc(C(C)C)cc1	ZINC000837043526	634846387	/nfs/dbraw/zinc/84/63/87/634846387.db2.gz	DAWQOCVKYIMWDU-UHFFFAOYSA-N	-1	0	265.378	3.136	20	30		CGEDRM
CN(C)c1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1	ZINC000004750622	635440469	/nfs/dbraw/zinc/44/04/69/635440469.db2.gz	TUYBADKHDCWVJW-WEVVVXLNSA-N	-1	0	285.318	3.493	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1	ZINC000843842612	635788492	/nfs/dbraw/zinc/78/84/92/635788492.db2.gz	LGZAPMDQPHRJGI-ZIAGYGMSSA-N	-1	0	284.359	3.419	20	30		CGEDRM
COCC(CC(C)(C)C)N=Nc1ccccc1C(=O)[O-]	ZINC000844570306	635932801	/nfs/dbraw/zinc/93/28/01/635932801.db2.gz	URVOHJJZLHRJGO-UHFFFAOYSA-N	-1	0	278.352	3.235	20	30		CGEDRM
C[C@H]1CCCCCC1=NNc1cnnc([O-])c1Cl	ZINC000844573430	635933968	/nfs/dbraw/zinc/93/39/68/635933968.db2.gz	NRTPTYKARWRZDZ-QMMMGPOBSA-N	-1	0	268.748	3.204	20	30		CGEDRM
COC1(CN=Nc2cccc(C(=O)[O-])c2C)CCCC1	ZINC000844623020	635944625	/nfs/dbraw/zinc/94/46/25/635944625.db2.gz	JQTVDVOBOQHCOS-UHFFFAOYSA-N	-1	0	276.336	3.050	20	30		CGEDRM
CC[C@H](C)[C@H](CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844624306	635945708	/nfs/dbraw/zinc/94/57/08/635945708.db2.gz	VTPZFEMTIRHDTI-HZMBPMFUSA-N	-1	0	278.352	3.152	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1ccc(Cl)s1	ZINC000846544540	636197532	/nfs/dbraw/zinc/19/75/32/636197532.db2.gz	BRCIISZBGFIITE-YUMQZZPRSA-N	-1	0	259.758	3.127	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1cccc(Cl)c1	ZINC000846549929	636200011	/nfs/dbraw/zinc/20/00/11/636200011.db2.gz	LAOHSABGOGAWIW-MRVPVSSYSA-N	-1	0	275.682	3.054	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1cc(C)ccc1Cl	ZINC000846551189	636200792	/nfs/dbraw/zinc/20/07/92/636200792.db2.gz	TYJLJCAFXKBUOF-QWRGUYRKSA-N	-1	0	283.755	3.038	20	30		CGEDRM
CCCCCCCCC(=O)N(CC(=O)[O-])C(C)C	ZINC000107306539	636512009	/nfs/dbraw/zinc/51/20/09/636512009.db2.gz	UROFCJVLVUIIOR-UHFFFAOYSA-N	-1	0	257.374	3.059	20	30		CGEDRM
CCc1ccc(C(C)=NNc2ccc(CC(=O)[O-])cc2)o1	ZINC000848416003	636571222	/nfs/dbraw/zinc/57/12/22/636571222.db2.gz	VMUHITNREVAXFB-UHFFFAOYSA-N	-1	0	286.331	3.305	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C(C)C)C(=O)O1	ZINC000848639533	636626578	/nfs/dbraw/zinc/62/65/78/636626578.db2.gz	VTTFGVIQOIDKTB-XZVRFQMRSA-N	-1	0	298.338	3.038	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000849245845	636778234	/nfs/dbraw/zinc/77/82/34/636778234.db2.gz	VDEJMGJLNZSOGO-FNORWQNLSA-N	-1	0	286.306	3.038	20	30		CGEDRM
C=C(Cl)CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000851707803	637469398	/nfs/dbraw/zinc/46/93/98/637469398.db2.gz	KQFZIJWDELZKNF-STQMWFEESA-N	-1	0	271.788	3.094	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1	ZINC000221476819	637732039	/nfs/dbraw/zinc/73/20/39/637732039.db2.gz	BDYRMSHVHBLRSX-ALCCZGGFSA-N	-1	0	272.275	3.436	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCSCC2)cc1	ZINC000853251687	637795062	/nfs/dbraw/zinc/79/50/62/637795062.db2.gz	BMNLREZTVCCWFP-UHFFFAOYSA-N	-1	0	264.350	3.070	20	30		CGEDRM
C#CC1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000853354400	637822223	/nfs/dbraw/zinc/82/22/23/637822223.db2.gz	HZIMWSWZEHHQOD-UHFFFAOYSA-N	-1	0	274.295	3.115	20	30		CGEDRM
C[C@@H]1CCCCN1N=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000853381491	637831072	/nfs/dbraw/zinc/83/10/72/637831072.db2.gz	DPSFYHRUXCBNOF-AGIUHOORSA-N	-1	0	280.412	3.374	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccnc(Cl)c2)CC[C@H]1C(=O)[O-]	ZINC000853394862	637834030	/nfs/dbraw/zinc/83/40/30/637834030.db2.gz	BFXKOWWMUHTVDC-GZMMTYOYSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2cccc(F)c2)CCCC1	ZINC000856029806	638286881	/nfs/dbraw/zinc/28/68/81/638286881.db2.gz	DUXOLZKJLRYTJR-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/COc3ccccc3C2=O)c1	ZINC000158291925	640000015	/nfs/dbraw/zinc/00/00/15/640000015.db2.gz	CSFCJCZSDQEJFZ-LCYFTJDESA-N	-1	0	280.279	3.044	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1	ZINC000077881622	640266673	/nfs/dbraw/zinc/26/66/73/640266673.db2.gz	DYTSYWYAOFELFJ-QWHCGFSZSA-N	-1	0	293.388	3.390	20	30		CGEDRM
CC(C)(C(=O)[N-]OCc1ccccc1C#N)c1ccccc1	ZINC000078502874	640317976	/nfs/dbraw/zinc/31/79/76/640317976.db2.gz	MASLEBAVONYZQW-UHFFFAOYSA-N	-1	0	294.354	3.084	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000083982182	640603136	/nfs/dbraw/zinc/60/31/36/640603136.db2.gz	OAJQCXXGHYONRL-QPJJXVBHSA-N	-1	0	287.271	3.352	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	ZINC000254520676	640912836	/nfs/dbraw/zinc/91/28/36/640912836.db2.gz	NBRBRUXMNHUYBM-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2c3cc[nH]c3ccc2F)c(O)c1	ZINC001155434330	805581646	/nfs/dbraw/zinc/58/16/46/805581646.db2.gz	ARMJXOFJHUFOQW-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#C[C@H]1CCCN(Cc2cc([O-])c(Cl)c(F)c2F)C1	ZINC001250408406	805600704	/nfs/dbraw/zinc/60/07/04/805600704.db2.gz	GOQPUCCMRJKIND-MRVPVSSYSA-N	-1	0	286.709	3.059	20	30		CGEDRM
Cc1c(Cl)c(-c2ccc(C#N)cn2)ccc1C(=O)[O-]	ZINC001250461948	805631350	/nfs/dbraw/zinc/63/13/50/805631350.db2.gz	CBYFPAIGURJQHZ-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1ccccc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001250579977	805706005	/nfs/dbraw/zinc/70/60/05/805706005.db2.gz	JJVFETXQPXZYFH-UHFFFAOYSA-N	-1	0	263.296	3.341	20	30		CGEDRM
N#Cc1ccc(F)c(-c2cccc(C(=O)[O-])c2F)c1	ZINC001250634313	805739444	/nfs/dbraw/zinc/73/94/44/805739444.db2.gz	QRAMGMMIDQQKER-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1cc(-c2cc(CC(=O)[O-])ccc2F)ccc1F	ZINC001250637728	805743649	/nfs/dbraw/zinc/74/36/49/805743649.db2.gz	PMKSAUOJKBKFKM-UHFFFAOYSA-N	-1	0	273.238	3.131	20	30		CGEDRM
CCn1c2cc(OC)ccc2nc1-c1cc(C#N)ccc1[O-]	ZINC001251180481	805859615	/nfs/dbraw/zinc/85/96/15/805859615.db2.gz	YDUGOEJLQOCHDL-UHFFFAOYSA-N	-1	0	293.326	3.309	20	30		CGEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc2ccccc2c1	ZINC001158208474	805929327	/nfs/dbraw/zinc/92/93/27/805929327.db2.gz	JGJNLDYOYOKDLJ-UHFFFAOYSA-N	-1	0	269.344	3.351	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1	ZINC001211660879	814928525	/nfs/dbraw/zinc/92/85/25/814928525.db2.gz	QJOZSMGNWCLRFI-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
N#Cc1cc(Nc2c(Cl)cccc2CO)c([O-])cc1F	ZINC001159813551	806178701	/nfs/dbraw/zinc/17/87/01/806178701.db2.gz	PFOWQLSUJQBOEX-UHFFFAOYSA-N	-1	0	292.697	3.292	20	30		CGEDRM
C#CCCc1cn(CCCCCCCCCC(=O)[O-])nn1	ZINC001254095699	806341427	/nfs/dbraw/zinc/34/14/27/806341427.db2.gz	URUVVCSFKJXRMI-UHFFFAOYSA-N	-1	0	291.395	3.049	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1	ZINC000046927561	798890735	/nfs/dbraw/zinc/89/07/35/798890735.db2.gz	UNVQMJBDUGSRAF-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1C	ZINC000046929907	798891022	/nfs/dbraw/zinc/89/10/22/798891022.db2.gz	NBKOLKPINDQMAL-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)s1	ZINC000046927878	798891708	/nfs/dbraw/zinc/89/17/08/798891708.db2.gz	QJHQPGSUOTTWSN-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
COc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000588495673	799701876	/nfs/dbraw/zinc/70/18/76/799701876.db2.gz	NZMCSWKUACJJFX-SREVYHEPSA-N	-1	0	260.314	3.358	20	30		CGEDRM
C#CCOc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000588506965	799704028	/nfs/dbraw/zinc/70/40/28/799704028.db2.gz	OSCXMJPAHRSLNA-UHFFFAOYSA-N	-1	0	296.282	3.063	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/Cc3cc(F)ccc3C2=O)ccc1O	ZINC000809153671	800413662	/nfs/dbraw/zinc/41/36/62/800413662.db2.gz	BGJOFQOPQWESGZ-WZUFQYTHSA-N	-1	0	298.269	3.052	20	30		CGEDRM
N#Cc1ccnc(/C=C/c2cccc(C(=O)[O-])c2Cl)c1	ZINC001116907860	802427778	/nfs/dbraw/zinc/42/77/78/802427778.db2.gz	WFYQXEYOGAABQN-SNAWJCMRSA-N	-1	0	284.702	3.475	20	30		CGEDRM
C[C@@H]1CC(=NNCc2ccccc2Cl)CC[C@H]1C(=O)[O-]	ZINC001117742466	802484548	/nfs/dbraw/zinc/48/45/48/802484548.db2.gz	REHKWQHPQHWSEM-ZWNOBZJWSA-N	-1	0	294.782	3.306	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1O	ZINC001211703210	814934634	/nfs/dbraw/zinc/93/46/34/814934634.db2.gz	AOAFZHSFNFNJHM-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
Cc1noc(C(C)C)c1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122714733	802882033	/nfs/dbraw/zinc/88/20/33/802882033.db2.gz	OFFFNLLIGMEORB-SNVBAGLBSA-N	-1	0	287.294	3.131	20	30		CGEDRM
N#CC(=C([O-])c1cccnc1C1CC1)c1ncc(F)cc1F	ZINC001123382551	802939087	/nfs/dbraw/zinc/93/90/87/802939087.db2.gz	UKVLOVPANSZCGJ-GFCCVEGCSA-N	-1	0	299.280	3.122	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(CC#N)ccc2F)c1	ZINC001244178005	803227693	/nfs/dbraw/zinc/22/76/93/803227693.db2.gz	UEIRUGSDKUTYIF-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1ccc(-c2ccc(Cl)cc2[O-])c(C#N)c1	ZINC001244472484	803388716	/nfs/dbraw/zinc/38/87/16/803388716.db2.gz	NOGQPDSSYZMDRS-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
Cc1nccc(-c2cc(F)c([O-])c(Cl)c2)c1C#N	ZINC001244503993	803408611	/nfs/dbraw/zinc/40/86/11/803408611.db2.gz	IWEUFRCSJJVYHZ-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cc(C)c([O-])c(Cl)c2)n1	ZINC001244531715	803422470	/nfs/dbraw/zinc/42/24/70/803422470.db2.gz	PLXLITFDQPKLQS-UHFFFAOYSA-N	-1	0	291.763	3.405	20	30		CGEDRM
COc1cc(C#N)nc(-c2c(Cl)ccc([O-])c2F)c1	ZINC001244537939	803425342	/nfs/dbraw/zinc/42/53/42/803425342.db2.gz	GNPNWKPZYWPEFL-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cc(Cl)ccc2[O-])n1	ZINC001245048140	803621430	/nfs/dbraw/zinc/62/14/30/803621430.db2.gz	GCVUSZPRFORKKK-UHFFFAOYSA-N	-1	0	291.763	3.405	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)cc(C)c1O	ZINC001211905482	814954998	/nfs/dbraw/zinc/95/49/98/814954998.db2.gz	HVTNGRAADOSYLV-UHFFFAOYSA-N	-1	0	260.318	3.391	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cc(/C=N/O)ccc1F	ZINC001245298940	803694787	/nfs/dbraw/zinc/69/47/87/803694787.db2.gz	FESXFTWMEJNLAK-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
N#CCc1cnc(F)c(-c2ccc(C(=O)[O-])cc2Cl)c1	ZINC001245374953	803719198	/nfs/dbraw/zinc/71/91/98/803719198.db2.gz	JIKDFWOGCPAMQH-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
COc1nccc(Nc2cc(C#N)c(F)cc2[O-])c1Cl	ZINC001211955469	814960784	/nfs/dbraw/zinc/96/07/84/814960784.db2.gz	CAHBNACBHZHDBM-UHFFFAOYSA-N	-1	0	293.685	3.204	20	30		CGEDRM
N#Cc1cc2nc(-c3cc([O-])c(F)c(F)c3F)ccc2[nH]1	ZINC001245634383	803870869	/nfs/dbraw/zinc/87/08/69/803870869.db2.gz	KTJOYEGFZYHFJQ-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc([O-])c(F)c(F)c1F	ZINC001245638371	803874783	/nfs/dbraw/zinc/87/47/83/803874783.db2.gz	HSOPAGCQNNYIPX-UHFFFAOYSA-N	-1	0	289.216	3.176	20	30		CGEDRM
N#CCOc1ccc(-c2cc(Cl)c([O-])cc2F)nc1	ZINC001245669534	803899324	/nfs/dbraw/zinc/89/93/24/803899324.db2.gz	FNQYYABUGFWJLG-UHFFFAOYSA-N	-1	0	278.670	3.149	20	30		CGEDRM
N#CCc1ccncc1-c1cc(Cl)c([O-])cc1F	ZINC001245671465	803900429	/nfs/dbraw/zinc/90/04/29/803900429.db2.gz	XSOIQPYWVFBXRW-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
COc1cc(-c2c(F)ccc([O-])c2Cl)ncc1C#N	ZINC001245828750	803982733	/nfs/dbraw/zinc/98/27/33/803982733.db2.gz	VYHVTWXFJJOVTA-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3c(F)cccc3F)cc2=O)c1	ZINC001245932184	804060503	/nfs/dbraw/zinc/06/05/03/804060503.db2.gz	LCPFBDZFWHMJQA-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C[C@@H](n1[n-]c(-c2ccc(C#N)cc2)cc1=O)C(F)(F)F	ZINC001245933697	804063073	/nfs/dbraw/zinc/06/30/73/804063073.db2.gz	SYKYGEXVIKSZRT-MRVPVSSYSA-N	-1	0	281.237	3.251	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(C3CCCCC3)cc2=O)c1	ZINC001245936491	804066728	/nfs/dbraw/zinc/06/67/28/804066728.db2.gz	VWWPKCFDXWCXQU-UHFFFAOYSA-N	-1	0	267.332	3.497	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3cc(Cl)ccn3)[n-]2)c1	ZINC001245936895	804068522	/nfs/dbraw/zinc/06/85/22/804068522.db2.gz	GJZKSMXYRNEISR-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3c(F)cccc3F)[n-]2)c1	ZINC001245937823	804068908	/nfs/dbraw/zinc/06/89/08/804068908.db2.gz	WCSUIRZJRMFSMR-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)ccc(F)c1[O-]	ZINC001139686818	804254826	/nfs/dbraw/zinc/25/48/26/804254826.db2.gz	GPEJXXVCHHTSBL-UHFFFAOYSA-N	-1	0	288.297	3.174	20	30		CGEDRM
C=C(C)CONC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001144640160	805018611	/nfs/dbraw/zinc/01/86/11/805018611.db2.gz	MJMCLEZFTDBQNR-UHFFFAOYSA-N	-1	0	291.734	3.436	20	30		CGEDRM
Cc1c(F)c(F)ccc1C(=O)Nc1ccc(C#N)cc1O	ZINC001148603193	805198125	/nfs/dbraw/zinc/19/81/25/805198125.db2.gz	LSKIPYJIODMLHD-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cnc3ccccc3c2)ccc1O	ZINC001149133415	805220546	/nfs/dbraw/zinc/22/05/46/805220546.db2.gz	ZJFYIIZRIWRFOM-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1cc(Cl)c([O-])cc1F	ZINC001250027045	805378114	/nfs/dbraw/zinc/37/81/14/805378114.db2.gz	VQKXMUQRNVYQEN-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
Cc1cc(Cc2ccc(C#N)cc2)cc(C(=O)[O-])c1	ZINC001250054454	805393151	/nfs/dbraw/zinc/39/31/51/805393151.db2.gz	LGLYWCGGYJCXTN-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
Cc1cccc(C#N)c1[N-]S(=O)(=O)CC1CCCCC1	ZINC001259619665	807683118	/nfs/dbraw/zinc/68/31/18/807683118.db2.gz	AYGPKMVVFRRWBG-UHFFFAOYSA-N	-1	0	292.404	3.189	20	30		CGEDRM
CCCCCCCC[C@H](CC)N[C@H]1SC(=O)[N-]C1=O	ZINC001172506136	808361967	/nfs/dbraw/zinc/36/19/67/808361967.db2.gz	OMDFNGISUNYOLM-AAEUAGOBSA-N	-1	0	286.441	3.414	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174495451	809041766	/nfs/dbraw/zinc/04/17/66/809041766.db2.gz	QYFUQPUWKGPUDT-VOTSOKGWSA-N	-1	0	296.330	3.177	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1	ZINC001174508036	809053829	/nfs/dbraw/zinc/05/38/29/809053829.db2.gz	VGYQTROVHGYKAD-UHFFFAOYSA-N	-1	0	282.255	3.018	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1	ZINC001174687353	809131164	/nfs/dbraw/zinc/13/11/64/809131164.db2.gz	UAPHLLVFYFRCPZ-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccc(CC(=O)[O-])cc2)c1F	ZINC001174953990	809214306	/nfs/dbraw/zinc/21/43/06/809214306.db2.gz	WWTBNMZNSFPMHF-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cccc(C#N)c1F	ZINC001174982673	809225818	/nfs/dbraw/zinc/22/58/18/809225818.db2.gz	RVTCWKAZDMCUHM-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cc(Nc2scc([O-])c2C#N)ccc1C	ZINC001175014134	809239741	/nfs/dbraw/zinc/23/97/41/809239741.db2.gz	HNIQRYUVSAJLEF-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
COc1ccc(F)c(Nc2scc([O-])c2C#N)c1F	ZINC001175117811	809278386	/nfs/dbraw/zinc/27/83/86/809278386.db2.gz	LNXFNUSAXHNZJN-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
C#Cc1cccnc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175313373	809350441	/nfs/dbraw/zinc/35/04/41/809350441.db2.gz	AFAIGZLOQPQHOX-UHFFFAOYSA-N	-1	0	272.691	3.158	20	30		CGEDRM
C=C[C@@H](C(=O)[N-]OC1CCCCC1)c1ccccc1	ZINC001296791001	809508943	/nfs/dbraw/zinc/50/89/43/809508943.db2.gz	NWINSTPGCULXRI-OAHLLOKOSA-N	-1	0	259.349	3.337	20	30		CGEDRM
C=CCO[N-]C(=O)CSc1cc(Cl)ccc1Cl	ZINC001297985497	809526398	/nfs/dbraw/zinc/52/63/98/809526398.db2.gz	SFYORQVGJNUGKU-UHFFFAOYSA-N	-1	0	292.187	3.319	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)c(OC)c2)cc(C(=O)[O-])c1	ZINC001213595069	815308116	/nfs/dbraw/zinc/30/81/16/815308116.db2.gz	NNNJCGMFVGSYST-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)c(C)c2)cc(C(=O)[O-])c1	ZINC001213594816	815308152	/nfs/dbraw/zinc/30/81/52/815308152.db2.gz	KALVQLUNTLAOSS-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1csc(C(=O)[O-])c1	ZINC001176436773	809696520	/nfs/dbraw/zinc/69/65/20/809696520.db2.gz	LHFMQOYESWQWGG-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1csc(C(=O)[O-])c1	ZINC001176437479	809697373	/nfs/dbraw/zinc/69/73/73/809697373.db2.gz	RCPGIPIYJVFLKB-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
CC(C)(C)n1ncc(C#N)c1Nc1csc(C(=O)[O-])c1	ZINC001176437817	809697577	/nfs/dbraw/zinc/69/75/77/809697577.db2.gz	YFDRTWDGMUANNX-UHFFFAOYSA-N	-1	0	290.348	3.013	20	30		CGEDRM
N#Cc1cc(F)c(Nc2csc(C(=O)[O-])c2)c(F)c1	ZINC001176438914	809697640	/nfs/dbraw/zinc/69/76/40/809697640.db2.gz	FXTPZRGDHGNKQA-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1csc(C(=O)[O-])c1	ZINC001176439048	809698471	/nfs/dbraw/zinc/69/84/71/809698471.db2.gz	HVWAPHRKNJVOAU-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cccc(Nc2csc(C(=O)[O-])c2)c1F	ZINC001176439029	809698573	/nfs/dbraw/zinc/69/85/73/809698573.db2.gz	HIDIJOMISKCELY-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176587358	809724810	/nfs/dbraw/zinc/72/48/10/809724810.db2.gz	YOHHBGTUHJTDKB-UHFFFAOYSA-N	-1	0	278.311	3.418	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])cc2)cn1	ZINC001176710332	809745986	/nfs/dbraw/zinc/74/59/86/809745986.db2.gz	FXVMGBVBVGFQLE-UHFFFAOYSA-N	-1	0	281.315	3.325	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176713337	809747983	/nfs/dbraw/zinc/74/79/83/809747983.db2.gz	DUTFWKJLTDQSFR-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(CCC(=O)[O-])cc2)c1F	ZINC001213629917	815314438	/nfs/dbraw/zinc/31/44/38/815314438.db2.gz	XMPADWOEAJSOMB-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
CCCCCCN(O)C(=O)[C@H](OC)C1CCCCC1	ZINC001184315160	810190509	/nfs/dbraw/zinc/19/05/09/810190509.db2.gz	RTUZUUCOBJJYBK-CQSZACIVSA-N	-1	0	271.401	3.380	20	30		CGEDRM
CCCCN(O)C(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC001184314646	810190837	/nfs/dbraw/zinc/19/08/37/810190837.db2.gz	DNZZLNLDCRLQML-JTQLQIEISA-N	-1	0	271.744	3.125	20	30		CGEDRM
N#Cc1cnccc1Nc1c([S-])cccc1Cl	ZINC001214018274	815356435	/nfs/dbraw/zinc/35/64/35/815356435.db2.gz	MFOPYYYMDUTGEP-UHFFFAOYSA-N	-1	0	261.737	3.061	20	30		CGEDRM
C[C@@H](NC(=O)Nc1cc(C#N)ccc1[O-])C1CCCCC1	ZINC001186342184	810330577	/nfs/dbraw/zinc/33/05/77/810330577.db2.gz	DLXVYIIRELLDSU-LLVKDONJSA-N	-1	0	287.363	3.354	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccoc2)c2ccccc12	ZINC001188569399	810487628	/nfs/dbraw/zinc/48/76/28/810487628.db2.gz	IULKPJHMBHXALY-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c([N+](=O)[O-])c1	ZINC001214174473	815376830	/nfs/dbraw/zinc/37/68/30/815376830.db2.gz	WXCRDAMNIUCHDS-UHFFFAOYSA-N	-1	0	287.250	3.363	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cccc3ncsc32)CC1	ZINC001190806606	810649724	/nfs/dbraw/zinc/64/97/24/810649724.db2.gz	JVEJYMNJKJPELZ-UHFFFAOYSA-N	-1	0	294.401	3.147	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cc(Cl)nc(Cl)c1[O-]	ZINC001193092613	810854885	/nfs/dbraw/zinc/85/48/85/810854885.db2.gz	WYHNRPHMBIWWRN-UHFFFAOYSA-N	-1	0	289.162	3.132	20	30		CGEDRM
N#Cc1cc(C(=O)NCc2ccccc2C2CC2)ccc1[O-]	ZINC001193512378	810900723	/nfs/dbraw/zinc/90/07/23/810900723.db2.gz	NGUQAEFVBORDDD-UHFFFAOYSA-N	-1	0	292.338	3.071	20	30		CGEDRM
CC(=O)c1cccc(NC(=O)c2ccc([O-])c(C#N)c2)c1C	ZINC001193513001	810900893	/nfs/dbraw/zinc/90/08/93/810900893.db2.gz	WQTYCNOYCXNTQJ-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
Cc1coc(NC(=O)c2cc(Cl)c(F)cc2[O-])c1C#N	ZINC001196460174	811345123	/nfs/dbraw/zinc/34/51/23/811345123.db2.gz	STBMAIGGIGGXEB-UHFFFAOYSA-N	-1	0	294.669	3.210	20	30		CGEDRM
C=CCNC(=S)Nc1cc(C(F)(F)F)ccc1[S-]	ZINC001200293977	811671933	/nfs/dbraw/zinc/67/19/33/811671933.db2.gz	QEAAXPLXSRAFJB-UHFFFAOYSA-N	-1	0	292.351	3.467	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccnc(Cl)c1[O-]	ZINC001201582334	811913403	/nfs/dbraw/zinc/91/34/03/811913403.db2.gz	YJKCNIHXBHTNPJ-UHFFFAOYSA-N	-1	0	275.695	3.064	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)c(F)c1	ZINC001215276683	815501883	/nfs/dbraw/zinc/50/18/83/815501883.db2.gz	VUMVDOCYCRDVBQ-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(-c2noc(-c3cccc(Cl)c3[O-])n2)nc1	ZINC001215343562	815508156	/nfs/dbraw/zinc/50/81/56/815508156.db2.gz	ZANKYQMQAOSVBV-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccsc2C(=O)[O-])cn1	ZINC001215386907	815514433	/nfs/dbraw/zinc/51/44/33/815514433.db2.gz	LFERBSZGLCHJMK-UHFFFAOYSA-N	-1	0	287.344	3.386	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203286748	812293049	/nfs/dbraw/zinc/29/30/49/812293049.db2.gz	OYVBJVWUPOOWQQ-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292574	812296257	/nfs/dbraw/zinc/29/62/57/812296257.db2.gz	JJMQFNQQHMCQDM-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1F	ZINC001203292363	812296518	/nfs/dbraw/zinc/29/65/18/812296518.db2.gz	MNXPKQQSQFWEHS-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001203328005	812312492	/nfs/dbraw/zinc/31/24/92/812312492.db2.gz	NMQVEZBVXHBBDN-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1C#N	ZINC001215467605	815522453	/nfs/dbraw/zinc/52/24/53/815522453.db2.gz	GTUZVXCAOIEZSG-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#Cc1cc(Nc2cccc([N+](=O)[O-])c2)c([O-])cc1F	ZINC001204476135	812652292	/nfs/dbraw/zinc/65/22/92/812652292.db2.gz	HUOXGXKLOHCAFP-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
C#Cc1ccccc1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215614697	815548035	/nfs/dbraw/zinc/54/80/35/815548035.db2.gz	RDKUIMKLDUQAMR-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205100551	812865185	/nfs/dbraw/zinc/86/51/85/812865185.db2.gz	PXHUYMZNMNYMJU-UHFFFAOYSA-N	-1	0	273.238	3.096	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(F)c(C(=O)[O-])c2F)c1F	ZINC001205106268	812869578	/nfs/dbraw/zinc/86/95/78/812869578.db2.gz	BXBGXVDBACCXAN-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
N#Cc1cc(-c2ccsc2C(=O)[O-])nc(C(F)(F)F)c1	ZINC001205542538	812998265	/nfs/dbraw/zinc/99/82/65/812998265.db2.gz	JMTFXIOBXHOTAN-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1nc(-c2ccsc2C(=O)[O-])c(C#N)c(C)c1C	ZINC001205565647	813004254	/nfs/dbraw/zinc/00/42/54/813004254.db2.gz	RLGMISMFZPPQHP-UHFFFAOYSA-N	-1	0	272.329	3.305	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cc(F)c(F)c(C(=O)[O-])c3)c12	ZINC001206038685	813177539	/nfs/dbraw/zinc/17/75/39/813177539.db2.gz	MKKINJNXLUTXOF-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
O=C([O-])c1cc(-c2ccc(/C=N/O)c(F)c2)cc(F)c1F	ZINC001206051910	813182953	/nfs/dbraw/zinc/18/29/53/813182953.db2.gz	YYKFGJSRBCMRJM-NGYBGAFCSA-N	-1	0	295.216	3.277	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1csc(C(=O)[O-])c1	ZINC001206278567	813269075	/nfs/dbraw/zinc/26/90/75/813269075.db2.gz	JKCPGBYCHYXCDD-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cc(F)c([O-])cc2F)n1	ZINC001206761594	813427308	/nfs/dbraw/zinc/42/73/08/813427308.db2.gz	NXZPQHJSYKJLIQ-UHFFFAOYSA-N	-1	0	278.258	3.001	20	30		CGEDRM
N#Cc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cn1	ZINC001209545656	814080131	/nfs/dbraw/zinc/08/01/31/814080131.db2.gz	NFMACVALORLGOR-UHFFFAOYSA-N	-1	0	299.092	3.243	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210072608	814274563	/nfs/dbraw/zinc/27/45/63/814274563.db2.gz	QLFJMQOXBJQZBN-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
N#Cc1cc(F)c(Nc2cccc(C(=O)[O-])c2F)cc1F	ZINC001210241181	814360555	/nfs/dbraw/zinc/36/05/55/814360555.db2.gz	UQDGLGHOTNKJLC-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C#Cc1cc(Nc2cccc(C(=O)[O-])c2F)ccc1F	ZINC001210242523	814361606	/nfs/dbraw/zinc/36/16/06/814361606.db2.gz	MZALKZPXZTXHGC-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1oc(C)c(C)c1C#N	ZINC001210254472	814367668	/nfs/dbraw/zinc/36/76/68/814367668.db2.gz	HXIVZWFHIAZFDY-UHFFFAOYSA-N	-1	0	286.287	3.219	20	30		CGEDRM
COc1ccc(Nc2cc(C(=O)[O-])ccc2OC)cc1C#N	ZINC001210258295	814369319	/nfs/dbraw/zinc/36/93/19/814369319.db2.gz	LLCMFWGSXVSIBI-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1cccc([O-])c1Cl	ZINC001210860075	814654984	/nfs/dbraw/zinc/65/49/84/814654984.db2.gz	SRDYZLSYWOKBTC-UHFFFAOYSA-N	-1	0	259.696	3.243	20	30		CGEDRM
N#Cc1c(F)c(F)cc(Nc2ccccc2C(=O)[O-])c1F	ZINC001210970047	814697351	/nfs/dbraw/zinc/69/73/51/814697351.db2.gz	XISHKAZXGBLUMN-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc([O-])c1Cl)CCC2	ZINC001242800864	823137215	/nfs/dbraw/zinc/13/72/15/823137215.db2.gz	KMCNPDJZOPUKOW-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
Cc1ccc(Nc2ccc(C#N)c(F)c2)cc1C(=O)[O-]	ZINC001211604157	814916632	/nfs/dbraw/zinc/91/66/32/814916632.db2.gz	RUYFXPYWGHSWJW-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1ccc(Nc2cc(F)ccc2C#N)cc1C(=O)[O-]	ZINC001211604155	814916653	/nfs/dbraw/zinc/91/66/53/814916653.db2.gz	RTWJLZQHJOTEEC-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1	ZINC001211606721	814916971	/nfs/dbraw/zinc/91/69/71/814916971.db2.gz	XRZHUIKEOHOPIT-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
CSc1ccc(Nc2scc([O-])c2C#N)c(C)n1	ZINC001215906751	815625479	/nfs/dbraw/zinc/62/54/79/815625479.db2.gz	HGIHZCXVLRZYPE-UHFFFAOYSA-N	-1	0	277.374	3.494	20	30		CGEDRM
Cc1cc(Nc2nc(C)c(C#N)cc2C#N)cc([O-])c1F	ZINC001216078883	815684552	/nfs/dbraw/zinc/68/45/52/815684552.db2.gz	MJXFELXWCHXFGS-UHFFFAOYSA-N	-1	0	282.278	3.030	20	30		CGEDRM
Cc1c(Nc2cccc(F)c2C#N)cccc1C(=O)[O-]	ZINC001216660961	815888196	/nfs/dbraw/zinc/88/81/96/815888196.db2.gz	XGKFPRJTUCUNKY-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1ccccc1-c1noc(-c2cccc(C#N)c2[O-])n1	ZINC001216980199	815905505	/nfs/dbraw/zinc/90/55/05/815905505.db2.gz	UXMPIYCXQNHJHA-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc2[nH]c(C#N)cc2c1	ZINC001242922232	823172552	/nfs/dbraw/zinc/17/25/52/823172552.db2.gz	DLNOITVTAHWZIP-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc2c(c1)CC/C2=N/O	ZINC001242924382	823173576	/nfs/dbraw/zinc/17/35/76/823173576.db2.gz	SDYSRCHQMDZAHX-SDXDJHTJSA-N	-1	0	297.310	3.185	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001222694442	816501320	/nfs/dbraw/zinc/50/13/20/816501320.db2.gz	NIRYGLQCTOYOOG-UHFFFAOYSA-N	-1	0	277.323	3.236	20	30		CGEDRM
CCC1=C(O/C(=N\[O-])c2ccc(Cl)cc2)C(=O)[C@H](C)O1	ZINC001223596986	816655181	/nfs/dbraw/zinc/65/51/81/816655181.db2.gz	OWHIVBAGONUAOX-BXPGOBPSSA-N	-1	0	295.722	3.102	20	30		CGEDRM
C=CCC[C@@H](CC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223746492	816674159	/nfs/dbraw/zinc/67/41/59/816674159.db2.gz	QSBLSTIVVQXXJO-CYBMUJFWSA-N	-1	0	284.377	3.195	20	30		CGEDRM
CC[C@@H](C)[C@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893430	816699028	/nfs/dbraw/zinc/69/90/28/816699028.db2.gz	VBZHUJOXSWYURD-NMJQQPMASA-N	-1	0	281.352	3.291	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H](C)C2CCC2)c1	ZINC001223892221	816699294	/nfs/dbraw/zinc/69/92/94/816699294.db2.gz	DDVJYNCNJSECIQ-JRELAMLQSA-N	-1	0	279.336	3.045	20	30		CGEDRM
CCCCCCCC[C@@H](C)OCC[P@@](=O)([O-])O	ZINC001224600926	816831373	/nfs/dbraw/zinc/83/13/73/816831373.db2.gz	BWMWTFXAMGSKMN-GFCCVEGCSA-N	-1	0	266.318	3.320	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518281	817081957	/nfs/dbraw/zinc/08/19/57/817081957.db2.gz	WNRPEDDKCBUOEF-LBPRGKRZSA-N	-1	0	284.377	3.447	20	30		CGEDRM
Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)CC2	ZINC001226014659	817250267	/nfs/dbraw/zinc/25/02/67/817250267.db2.gz	YWMSTICYNHACBX-AWEZNQCLSA-N	-1	0	284.290	3.173	20	30		CGEDRM
N#Cc1c(O[C@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(=O)cc1C(F)(F)F	ZINC001226065648	817262660	/nfs/dbraw/zinc/26/26/60/817262660.db2.gz	UQIFGFXLYQGLJT-RNSXUZJQSA-N	-1	0	296.248	3.021	20	30		CGEDRM
C#C[C@@H](CCCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068556	817263294	/nfs/dbraw/zinc/26/32/94/817263294.db2.gz	QXTAFMDJKLBGOJ-VIFPVBQESA-N	-1	0	298.264	3.248	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCC(=O)c3ccccc32)c1C#N	ZINC001226221720	817301428	/nfs/dbraw/zinc/30/14/28/817301428.db2.gz	QDUDFXUXDLVDCP-HNNXBMFYSA-N	-1	0	294.310	3.064	20	30		CGEDRM
C=C[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226224004	817301946	/nfs/dbraw/zinc/30/19/46/817301946.db2.gz	XQZBDYWRGYHYGK-CQSZACIVSA-N	-1	0	266.300	3.273	20	30		CGEDRM
C=C[C@H](Oc1[nH]c(=S)ncc1OC)c1ccccc1	ZINC001226246988	817309859	/nfs/dbraw/zinc/30/98/59/817309859.db2.gz	UGIGMEZTBGXLLV-NSHDSACASA-N	-1	0	274.345	3.080	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481354	817371277	/nfs/dbraw/zinc/37/12/77/817371277.db2.gz	FOKDRLXVHYIYAT-LLVKDONJSA-N	-1	0	264.321	3.424	20	30		CGEDRM
C#C[C@H](Oc1c(C(C)=O)ccc(O)c1CC=C)C(C)C	ZINC001227122341	817564471	/nfs/dbraw/zinc/56/44/71/817564471.db2.gz	KXHGOAZUHVVEPM-INIZCTEOSA-N	-1	0	272.344	3.360	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2[nH]ccc3ncc(C#N)c2-3)c1	ZINC001243176483	823273754	/nfs/dbraw/zinc/27/37/54/823273754.db2.gz	DJMWUUDDCPTDAO-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
C=C[C@@H](C)Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl	ZINC001227634270	817685931	/nfs/dbraw/zinc/68/59/31/817685931.db2.gz	OJFOJYBXSHHDPS-ZCFIWIBFSA-N	-1	0	297.159	3.193	20	30		CGEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1ccc(O)c(C#N)c1C#N	ZINC001227624387	817686546	/nfs/dbraw/zinc/68/65/46/817686546.db2.gz	ZDISLIQDPFYEMU-LBPRGKRZSA-N	-1	0	280.327	3.118	20	30		CGEDRM
Cc1ccc(-c2ccc(CC#N)c(C)n2)cc1C(=O)[O-]	ZINC001243196288	823285494	/nfs/dbraw/zinc/28/54/94/823285494.db2.gz	VMJKAJHXKRQOFP-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(C)c(C(=O)[O-])c1	ZINC001243195729	823285622	/nfs/dbraw/zinc/28/56/22/823285622.db2.gz	ABEUYDALRSYWGV-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1ccc(-c2ccnc3[nH]cc(C#N)c32)cc1C(=O)[O-]	ZINC001243196380	823286215	/nfs/dbraw/zinc/28/62/15/823286215.db2.gz	ABGFGQHKIUFKKL-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
COc1cc(-c2ccc(C)c(C(=O)[O-])c2)cc(F)c1C#N	ZINC001243199731	823287163	/nfs/dbraw/zinc/28/71/63/823287163.db2.gz	XHXCSIWYTAQYFC-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc2[nH]c(C#N)cc2n1	ZINC001243203151	823289042	/nfs/dbraw/zinc/28/90/42/823289042.db2.gz	PJBRBYZPPCSRNF-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
Cc1cc(-c2cnc3c(C#N)c[nH]c3c2)ccc1C(=O)[O-]	ZINC001243215814	823297137	/nfs/dbraw/zinc/29/71/37/823297137.db2.gz	YANBAMVEELNMLP-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1Cl	ZINC001228481523	817917383	/nfs/dbraw/zinc/91/73/83/817917383.db2.gz	AMRMQGLHZMWMPE-GFCCVEGCSA-N	-1	0	288.734	3.045	20	30		CGEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](CC#N)c2ccccc2)[n-]1	ZINC001231263344	818067224	/nfs/dbraw/zinc/06/72/24/818067224.db2.gz	JGSFKTVPASEHBE-ZDUSSCGKSA-N	-1	0	299.286	3.038	20	30		CGEDRM
N#Cc1ccc([O-])c(CN2CCCC[C@H]2C(F)(F)F)c1	ZINC001232679583	818416704	/nfs/dbraw/zinc/41/67/04/818416704.db2.gz	OBAKSXUSXCJCRK-ZDUSSCGKSA-N	-1	0	284.281	3.181	20	30		CGEDRM
N#CCc1cccnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243322555	823347011	/nfs/dbraw/zinc/34/70/11/823347011.db2.gz	GNOWSSDRNQDDBP-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#CCc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)nc1	ZINC001243322792	823347261	/nfs/dbraw/zinc/34/72/61/823347261.db2.gz	MNKCUBODLCEAPJ-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
C#C[C@H](CCCCC)Oc1ccc2c(c1)C(=O)CO2	ZINC001233677016	818677007	/nfs/dbraw/zinc/67/70/07/818677007.db2.gz	DANJUELWKMPDLI-GFCCVEGCSA-N	-1	0	258.317	3.223	20	30		CGEDRM
CC/C=C(\C)[C@@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919462	818730723	/nfs/dbraw/zinc/73/07/23/818730723.db2.gz	RZPULNJBKZNALN-UTSBKAFOSA-N	-1	0	260.337	3.481	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C#N	ZINC001233915630	818730774	/nfs/dbraw/zinc/73/07/74/818730774.db2.gz	RMRGIPBPDSGHPL-JBLDHEPKSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234411671	818849246	/nfs/dbraw/zinc/84/92/46/818849246.db2.gz	JMOUAZJNCFBYDG-ZETCQYMHSA-N	-1	0	284.237	3.308	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511594	818870147	/nfs/dbraw/zinc/87/01/47/818870147.db2.gz	RPBCYDPVZGSRMF-MFKMUULPSA-N	-1	0	283.331	3.165	20	30		CGEDRM
Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)nc(C)c1C#N	ZINC001235268588	819060046	/nfs/dbraw/zinc/06/00/46/819060046.db2.gz	IMWCFJVFMXWHLV-VMPITWQZSA-N	-1	0	278.311	3.335	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C=CC(=O)[O-])cc1	ZINC001235532099	819117706	/nfs/dbraw/zinc/11/77/06/819117706.db2.gz	QJXNKJIHTHMBCU-ZZXKWVIFSA-N	-1	0	289.294	3.151	20	30		CGEDRM
Cc1c(Cl)c(-c2cc(C#N)ccn2)ccc1C(=O)[O-]	ZINC001236109607	819325586	/nfs/dbraw/zinc/32/55/86/819325586.db2.gz	VXLJAHYCYUKJNW-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])c(F)c3F)cnc12	ZINC001243514836	823427382	/nfs/dbraw/zinc/42/73/82/823427382.db2.gz	HQSKHZBNGRUHFA-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#C[C@H]1CCCCN1Cc1cc(F)c([O-])c(Cl)c1	ZINC001237997775	819908005	/nfs/dbraw/zinc/90/80/05/819908005.db2.gz	PBYUWKGQYKMUBQ-SNVBAGLBSA-N	-1	0	268.719	3.063	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(Cl)c([O-])c2)c1	ZINC001243581849	823454381	/nfs/dbraw/zinc/45/43/81/823454381.db2.gz	JRNQJCGOWGNQGB-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
COc1cc(C#N)nc(-c2ccc(C(F)(F)F)cc2[O-])c1	ZINC001243607252	823465823	/nfs/dbraw/zinc/46/58/23/823465823.db2.gz	OZTRVJNLSXRVTG-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
Cc1nc(C#N)cc(-c2ccc(C(F)(F)F)cc2[O-])n1	ZINC001243607523	823465923	/nfs/dbraw/zinc/46/59/23/823465923.db2.gz	VTUNRWDVZLUNAD-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243608912	823466372	/nfs/dbraw/zinc/46/63/72/823466372.db2.gz	YHVCHXWNRKZBEG-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)nc1C#N	ZINC001240545677	821133299	/nfs/dbraw/zinc/13/32/99/821133299.db2.gz	ATKNQRXMMOBGBY-SOFGYWHQSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240548627	821135825	/nfs/dbraw/zinc/13/58/25/821135825.db2.gz	IZXTUXKQBLRCTK-SOFGYWHQSA-N	-1	0	278.311	3.221	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)c(F)c1	ZINC001240735384	821287931	/nfs/dbraw/zinc/28/79/31/821287931.db2.gz	WVINKEVNSSURST-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C=C(C)c1ccc(-c2ccc(C(=O)[O-])cc2OC)nc1	ZINC001240736250	821289177	/nfs/dbraw/zinc/28/91/77/821289177.db2.gz	VWDNUHYAAKALRI-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
O=C([O-])c1ccc(-c2ccc3c(c2)CC/C3=N/O)s1	ZINC001240849049	821370016	/nfs/dbraw/zinc/37/00/16/821370016.db2.gz	KADFCRIRBUQSNM-PTNGSMBKSA-N	-1	0	273.313	3.238	20	30		CGEDRM
Cc1nc(-c2ccc(CC(=O)[O-])cc2)c(C#N)c(C)c1C	ZINC001240974416	821458496	/nfs/dbraw/zinc/45/84/96/821458496.db2.gz	NIRGIWLEEXHOGX-UHFFFAOYSA-N	-1	0	280.327	3.173	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3ccc(C(=O)[O-])c(F)c3)c2c1	ZINC001241183266	821620667	/nfs/dbraw/zinc/62/06/67/821620667.db2.gz	OLGNYUYTHUYTNO-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])c(F)c1)CCCC2	ZINC001241184683	821621634	/nfs/dbraw/zinc/62/16/34/821621634.db2.gz	GMVDPZATXFACHC-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3ccc(F)c(C(=O)[O-])c3)c2c1	ZINC001241243920	821665950	/nfs/dbraw/zinc/66/59/50/821665950.db2.gz	TUWOMUQJPGHQRL-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241246235	821667763	/nfs/dbraw/zinc/66/77/63/821667763.db2.gz	XNDJOXVPLFYGBN-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CC1(c2ccccc2-c2cncc(C(=O)[O-])c2)CCC1	ZINC001241803981	822152670	/nfs/dbraw/zinc/15/26/70/822152670.db2.gz	WRVABVHQNPFKRE-UHFFFAOYSA-N	-1	0	278.311	3.392	20	30		CGEDRM
COc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(C#N)c1	ZINC001242151603	822896133	/nfs/dbraw/zinc/89/61/33/822896133.db2.gz	RNYWTAITKHDIPM-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1ccc(F)cc1[O-]	ZINC001242217486	822914175	/nfs/dbraw/zinc/91/41/75/822914175.db2.gz	PVAYLTAFWYLDBI-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1c(F)cc(-c2cccc(CC(=O)[O-])c2)cc1F	ZINC001242262089	822929311	/nfs/dbraw/zinc/92/93/11/822929311.db2.gz	GRSCIEDWHUUFCX-UHFFFAOYSA-N	-1	0	273.238	3.131	20	30		CGEDRM
N#Cc1cc(-c2cccc(CC(=O)[O-])c2)nc2ccccc12	ZINC001242262949	822929872	/nfs/dbraw/zinc/92/98/72/822929872.db2.gz	XHBALARUHJDQEV-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#CCc1ccccc1-c1cccc(CC(=O)[O-])c1	ZINC001242262507	822929917	/nfs/dbraw/zinc/92/99/17/822929917.db2.gz	NMRDOMRHCAMXJQ-UHFFFAOYSA-N	-1	0	251.285	3.047	20	30		CGEDRM
Cc1c(C#N)c(-c2ccc(C(=O)[O-])nc2)nc2ccccc12	ZINC001242335073	822953822	/nfs/dbraw/zinc/95/38/22/822953822.db2.gz	UPFWOJBMLFCJNT-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
N#Cc1cc(-c2cccc(F)c2[O-])nc(C(F)(F)F)c1	ZINC001242349577	822960294	/nfs/dbraw/zinc/96/02/94/822960294.db2.gz	NLNIDCOJQYJVML-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cccc(Cl)c2[O-])n1	ZINC001242363917	822967737	/nfs/dbraw/zinc/96/77/37/822967737.db2.gz	MHQVSKSECJCAJE-UHFFFAOYSA-N	-1	0	291.763	3.405	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(C(=O)[O-])c3F)nc2)CC1	ZINC001242378024	822973992	/nfs/dbraw/zinc/97/39/92/822973992.db2.gz	MUQJYRVRSFOTGR-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(F)c(CC#N)c1	ZINC001242391418	822979221	/nfs/dbraw/zinc/97/92/21/822979221.db2.gz	PHSUREJPSYIXLC-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc(-c2cc(OC(F)F)ccc2C#N)ccc1[O-]	ZINC001242565603	823036219	/nfs/dbraw/zinc/03/62/19/823036219.db2.gz	METLGKATVWSWTQ-UHFFFAOYSA-N	-1	0	286.237	3.404	20	30		CGEDRM
COc1cc(F)c(F)cc1-c1ccccc1C=N[O-]	ZINC001242580472	823042172	/nfs/dbraw/zinc/04/21/72/823042172.db2.gz	UHIXNFRXBIKGAI-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
C=C(C)CCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC001344522297	936537460	/nfs/dbraw/zinc/53/74/60/936537460.db2.gz	MALJEHPYYCJTFD-ZDUSSCGKSA-N	-1	0	295.766	3.328	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001345108070	936801517	/nfs/dbraw/zinc/80/15/17/936801517.db2.gz	NUTHLUPMMRLAGG-UHFFFAOYSA-N	-1	0	275.348	3.344	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1ncc(F)cc1F	ZINC001345621920	936817455	/nfs/dbraw/zinc/81/74/55/936817455.db2.gz	QHRNNBXNFHAQNR-SNVBAGLBSA-N	-1	0	280.249	3.334	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1	ZINC001345796595	936825355	/nfs/dbraw/zinc/82/53/55/936825355.db2.gz	YQVPRSASZARNNJ-CQSZACIVSA-N	-1	0	293.407	3.369	20	30		CGEDRM
N#Cc1ccc([N-]c2nnc(Br)s2)c(F)c1	ZINC000168479094	927348588	/nfs/dbraw/zinc/34/85/88/927348588.db2.gz	YCSUNHVZPMHFQC-UHFFFAOYSA-N	-1	0	299.128	3.055	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1C	ZINC000217398373	928156514	/nfs/dbraw/zinc/15/65/14/928156514.db2.gz	FGKVWZVUXYHUQS-YVMONPNESA-N	-1	0	284.311	3.311	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ccc2C#N)C1	ZINC001228898248	932047140	/nfs/dbraw/zinc/04/71/40/932047140.db2.gz	DRWGTPCNUQZDSV-TZMCWYRMSA-N	-1	0	270.332	3.339	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2cc(Cl)ccc21	ZINC001228899919	932048089	/nfs/dbraw/zinc/04/80/89/932048089.db2.gz	BEOOVRURWJILJJ-CYBMUJFWSA-N	-1	0	286.718	3.379	20	30		CGEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1cccc2oc(=S)[n-]c21	ZINC001231065680	932669516	/nfs/dbraw/zinc/66/95/16/932669516.db2.gz	PTTYJJXLNIVODP-SECBINFHSA-N	-1	0	293.344	3.003	20	30		CGEDRM
C#C[C@@](C)(CC)NC(=S)[N-]c1ccccc1SC	ZINC001249713532	932717961	/nfs/dbraw/zinc/71/79/61/932717961.db2.gz	NAUHHPZPCOMJHE-AWEZNQCLSA-N	-1	0	278.446	3.497	20	30		CGEDRM
N#Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)c([O-])c1)CC2	ZINC001466641102	937711123	/nfs/dbraw/zinc/71/11/23/937711123.db2.gz	YIZVGWVHOOLEIV-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
COC(=O)c1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1	ZINC001320799269	934104947	/nfs/dbraw/zinc/10/49/47/934104947.db2.gz	SWOZTBPXYMWQFY-RIYZIHGNSA-N	-1	0	294.306	3.001	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](Oc1ccccc1)c1ccccc1	ZINC001470616576	937755674	/nfs/dbraw/zinc/75/56/74/937755674.db2.gz	PAJIZAHOFCSMBA-QGZVFWFLSA-N	-1	0	297.354	3.431	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1	ZINC001326578011	934992080	/nfs/dbraw/zinc/99/20/80/934992080.db2.gz	NGPWFDJXRSUVIH-SNVBAGLBSA-N	-1	0	299.292	3.359	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1ccc(O)c(F)c1F	ZINC001520226260	938024021	/nfs/dbraw/zinc/02/40/21/938024021.db2.gz	WGBFJNJARORKTE-UHFFFAOYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
CCc1ncoc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC001524854745	938046378	/nfs/dbraw/zinc/04/63/78/938046378.db2.gz	AWPMGOBNKFUYCO-VIFPVBQESA-N	-1	0	289.360	3.307	20	30		CGEDRM
C=C(C)CO[N-]C(=O)COc1ccc(C(C)C)c(C)c1	ZINC001557326404	938209343	/nfs/dbraw/zinc/20/93/43/938209343.db2.gz	RFFZWUKENNOSLZ-UHFFFAOYSA-N	-1	0	277.364	3.121	20	30		CGEDRM
C=CCCSCCNC(=O)c1ccc(Cl)c([O-])c1	ZINC001557398811	938209660	/nfs/dbraw/zinc/20/96/60/938209660.db2.gz	ZOFHMJHBDCLOPA-UHFFFAOYSA-N	-1	0	285.796	3.085	20	30		CGEDRM
C=C(CNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1	ZINC001602712677	971357379	/nfs/dbraw/zinc/35/73/79/971357379.db2.gz	YHKFIJQOOWYHEP-UHFFFAOYSA-N	-1	0	295.338	3.136	20	30		CGEDRM
C=C1CCC(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1	ZINC001602713168	971361595	/nfs/dbraw/zinc/36/15/95/971361595.db2.gz	OFVGWZJASADURF-HOTGVXAUSA-N	-1	0	299.370	3.162	20	30		CGEDRM
C=CCCCCCCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001602718859	971378622	/nfs/dbraw/zinc/37/86/22/971378622.db2.gz	CZXMYHIPAORULW-CMDGGOBGSA-N	-1	0	291.347	3.244	20	30		CGEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC2CCC1CC2	ZINC000328583651	971511954	/nfs/dbraw/zinc/51/19/54/971511954.db2.gz	IYBUGRZVLHCSNC-JCXRDGCHSA-N	-1	0	265.353	3.023	20	30		CGEDRM
CCCCCCCCCC(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC000113034691	949229093	/nfs/dbraw/zinc/22/90/93/949229093.db2.gz	RXBXAFCPXVIBCA-UHFFFAOYSA-N	-1	0	281.356	3.187	20	30		CGEDRM
C=CCCCCCCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000314427663	950818802	/nfs/dbraw/zinc/81/88/02/950818802.db2.gz	IYCHYRPIQJPSLC-UHFFFAOYSA-N	-1	0	289.375	3.180	20	30		CGEDRM
N#CCCc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC001594610279	956201097	/nfs/dbraw/zinc/20/10/97/956201097.db2.gz	PAVIXYXLNJBDJL-UHFFFAOYSA-N	-1	0	294.310	3.093	20	30		CGEDRM
N#Cc1c(F)cccc1N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001594611739	956219576	/nfs/dbraw/zinc/21/95/76/956219576.db2.gz	BADWISNSNPBCQG-MLGOLLRUSA-N	-1	0	296.301	3.422	20	30		CGEDRM
N#Cc1ccc(Cl)cc1OCc1cccc(C(=O)[O-])c1	ZINC000128906330	958685017	/nfs/dbraw/zinc/68/50/17/958685017.db2.gz	QFHJVGGSXWODOU-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
Cc1cc(C)c(C#N)c(NCC2(C(=O)[O-])CCCCC2)n1	ZINC000165660837	959289626	/nfs/dbraw/zinc/28/96/26/959289626.db2.gz	DLJBBTFWDYIBAE-UHFFFAOYSA-N	-1	0	287.363	3.017	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000194585970	959620370	/nfs/dbraw/zinc/62/03/70/959620370.db2.gz	OEUKGZKHMISOGH-JXMROGBWSA-N	-1	0	277.279	3.153	20	30		CGEDRM
N#Cc1c(F)cccc1NCc1ccc(C(=O)[O-])s1	ZINC000236476896	960661111	/nfs/dbraw/zinc/66/11/11/960661111.db2.gz	GAMHDZRXQWKLKU-UHFFFAOYSA-N	-1	0	276.292	3.069	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1C#N	ZINC001570101842	961908375	/nfs/dbraw/zinc/90/83/75/961908375.db2.gz	NPQYCBVUGBZEHR-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001573329048	962251638	/nfs/dbraw/zinc/25/16/38/962251638.db2.gz	VTRXRUZTSDBKLS-KRWDZBQOSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C#C[C@@](C)(CC)N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC001573303179	962672078	/nfs/dbraw/zinc/67/20/78/962672078.db2.gz	WBDDDMLEYOAMSR-OCCSQVGLSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1	ZINC001573333189	962852993	/nfs/dbraw/zinc/85/29/93/962852993.db2.gz	XPNAICRJVFVURG-YPMHNXCESA-N	-1	0	291.347	3.000	20	30		CGEDRM
C=C[C@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1	ZINC001573345562	962935320	/nfs/dbraw/zinc/93/53/20/962935320.db2.gz	WEPHCFWEKKTQSS-NSHDSACASA-N	-1	0	287.340	3.355	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NCC1CCC(C(C)(C)C)CC1	ZINC001588624717	962980102	/nfs/dbraw/zinc/98/01/02/962980102.db2.gz	UEXNHWJQVBSTNY-UHFFFAOYSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C#Cc1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1	ZINC001588517865	963278710	/nfs/dbraw/zinc/27/87/10/963278710.db2.gz	IBOYBQRXADDENK-UHFFFAOYSA-N	-1	0	269.275	3.117	20	30		CGEDRM
C#Cc1ccc(NCc2ccccc2O[C@H](C)C(=O)[O-])cc1	ZINC001588517883	963279956	/nfs/dbraw/zinc/27/99/56/963279956.db2.gz	INLCATUOQARDSC-CYBMUJFWSA-N	-1	0	295.338	3.132	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(SCC)c1	ZINC001588634574	963290971	/nfs/dbraw/zinc/29/09/71/963290971.db2.gz	XLKKGENANCKLHU-UHFFFAOYSA-N	-1	0	279.361	3.158	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1ccc(Cl)cc1	ZINC001588618925	963292377	/nfs/dbraw/zinc/29/23/77/963292377.db2.gz	FLEDUYOIXLDEMR-UHFFFAOYSA-N	-1	0	295.766	3.112	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C)c1	ZINC001588629362	963292483	/nfs/dbraw/zinc/29/24/83/963292483.db2.gz	IWFQJAFUXZZOBY-UHFFFAOYSA-N	-1	0	267.712	3.008	20	30		CGEDRM
C=C(CC)CNC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001588606939	963293934	/nfs/dbraw/zinc/29/39/34/963293934.db2.gz	MMWLBBJTQLUDNJ-UHFFFAOYSA-N	-1	0	276.336	3.089	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC1CC(C)(C)CC(C)(C)C1	ZINC001588621184	963294522	/nfs/dbraw/zinc/29/45/22/963294522.db2.gz	AUJPSKPIVCYGHK-UHFFFAOYSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCC[C@@H]1CCC	ZINC001588624825	963295353	/nfs/dbraw/zinc/29/53/53/963295353.db2.gz	XRRKBHOCAIVUHX-UONOGXRCSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C[C@@H](C(=O)[O-])[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1	ZINC001588664924	963300746	/nfs/dbraw/zinc/30/07/46/963300746.db2.gz	ZRYCCQLXQITWNW-HNNXBMFYSA-N	-1	0	293.313	3.083	20	30		CGEDRM
C=C[C@](C)(CC)COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588683185	963301365	/nfs/dbraw/zinc/30/13/65/963301365.db2.gz	VNAVYBDQOSEUOF-LALPHHSUSA-N	-1	0	268.353	3.023	20	30		CGEDRM
C=C[C@@H](Sc1nccn1-c1cc(C)cc(C)c1)C(=O)[O-]	ZINC001588714192	963303795	/nfs/dbraw/zinc/30/37/95/963303795.db2.gz	BFLQXSDSTGTQQJ-CYBMUJFWSA-N	-1	0	288.372	3.220	20	30		CGEDRM
C=C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-]	ZINC001588701947	963305335	/nfs/dbraw/zinc/30/53/35/963305335.db2.gz	DNYOZWVFUHWPPR-OAHLLOKOSA-N	-1	0	294.310	3.402	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])CCCCC1	ZINC001588714865	963305703	/nfs/dbraw/zinc/30/57/03/963305703.db2.gz	PLUXHHPSEKAOEB-KGLIPLIRSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C[C@H](Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-]	ZINC001588702880	963307049	/nfs/dbraw/zinc/30/70/49/963307049.db2.gz	ZMNUMUMXXZGEBH-ZDUSSCGKSA-N	-1	0	277.364	3.361	20	30		CGEDRM
C=C[C@H](Nc1cccc(C2SCCS2)c1)C(=O)[O-]	ZINC001588702075	963307150	/nfs/dbraw/zinc/30/71/50/963307150.db2.gz	IAJKIRCFVUPMNA-NSHDSACASA-N	-1	0	281.402	3.216	20	30		CGEDRM
C=CC[C@@H](SC[C@H]1OCCc2ccccc21)C(=O)[O-]	ZINC001588758394	963311757	/nfs/dbraw/zinc/31/17/57/963311757.db2.gz	FNUORNCAAHUUGS-ZIAGYGMSSA-N	-1	0	278.373	3.063	20	30		CGEDRM
C=CC[C@H](Sc1ncc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588757618	963312859	/nfs/dbraw/zinc/31/28/59/963312859.db2.gz	BMQXROPSRUYPLA-LBPRGKRZSA-N	-1	0	275.329	3.463	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C12CCC(CC1)C2(C)C)C(=O)[O-]	ZINC001588790156	963313999	/nfs/dbraw/zinc/31/39/99/963313999.db2.gz	RQVNZBSENFJCDO-JZLYGMAVSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC001588785918	963315594	/nfs/dbraw/zinc/31/55/94/963315594.db2.gz	KHGFAFZRHXWQNY-XJKSGUPXSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC001588790534	963318308	/nfs/dbraw/zinc/31/83/08/963318308.db2.gz	YNDZRTXBNWPTTE-MELADBBJSA-N	-1	0	293.407	3.151	20	30		CGEDRM
C=CCN(C(=O)CCc1ccccc1C(=O)[O-])C(C)(C)C	ZINC001588820261	963319939	/nfs/dbraw/zinc/31/99/39/963319939.db2.gz	YGWMLTOHRGEICF-UHFFFAOYSA-N	-1	0	289.375	3.131	20	30		CGEDRM
C=CCCNc1ccc(Br)c(C(=O)[O-])c1C	ZINC001588808858	963320094	/nfs/dbraw/zinc/32/00/94/963320094.db2.gz	OPBDZSDLKBJMSH-UHFFFAOYSA-N	-1	0	284.153	3.444	20	30		CGEDRM
C=CCCCCN1CCCc2c(C(=O)[O-])cccc21	ZINC001588802431	963321378	/nfs/dbraw/zinc/32/13/78/963321378.db2.gz	MHTFJIUWYJMUDP-UHFFFAOYSA-N	-1	0	259.349	3.494	20	30		CGEDRM
C=CCCCNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001588803799	963321598	/nfs/dbraw/zinc/32/15/98/963321598.db2.gz	LEWWNTNSCQQEFY-LBPRGKRZSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C#CCCC[C@H](C)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC001588439537	964029309	/nfs/dbraw/zinc/02/93/09/964029309.db2.gz	BFLALMGMZLTFDB-ZDUSSCGKSA-N	-1	0	288.343	3.053	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001588440717	964043367	/nfs/dbraw/zinc/04/33/67/964043367.db2.gz	LDICSNNDBSIGEG-UHFFFAOYSA-N	-1	0	295.285	3.185	20	30		CGEDRM
C[C@H](CC#N)N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC001592221338	977397501	/nfs/dbraw/zinc/39/75/01/977397501.db2.gz	CBKNJYALJKOLCK-HQJQHLMTSA-N	-1	0	287.146	3.011	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001595704994	982281897	/nfs/dbraw/zinc/28/18/97/982281897.db2.gz	MQGQJZVHBSVNCA-UHFFFAOYSA-N	-1	0	295.423	3.450	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC001595705434	982285942	/nfs/dbraw/zinc/28/59/42/982285942.db2.gz	ZRDUMTJLDOOXOD-OAHLLOKOSA-N	-1	0	292.379	3.074	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)o1	ZINC001597495312	988042152	/nfs/dbraw/zinc/04/21/52/988042152.db2.gz	SPOCILWEXHWBER-HYXAFXHYSA-N	-1	0	260.245	3.029	20	30		CGEDRM
CN(Cc1ccc(C(=O)[O-])cc1)[C@@H](C#N)c1ccccc1	ZINC001598513255	992587224	/nfs/dbraw/zinc/58/72/24/992587224.db2.gz	QWQYXKMRMREAMW-INIZCTEOSA-N	-1	0	280.327	3.081	20	30		CGEDRM
C[C@]1(C#N)CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC001593742680	996361890	/nfs/dbraw/zinc/36/18/90/996361890.db2.gz	CXJLNDYCVWJJQQ-OAHLLOKOSA-N	-1	0	292.766	3.164	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c(F)c1	ZINC001599478545	998571891	/nfs/dbraw/zinc/57/18/91/998571891.db2.gz	LZXJVZLMLCOTQW-DJWKRKHSSA-N	-1	0	290.246	3.022	20	30		CGEDRM
N#CC1(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC000590320077	346842108	/nfs/dbraw/zinc/84/21/08/346842108.db2.gz	ZJSJOGBHMAJWOR-UHFFFAOYSA-N	-1	0	285.130	3.331	20	30		CGEDRM
N#Cc1c(Cl)cccc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000052903362	345110393	/nfs/dbraw/zinc/11/03/93/345110393.db2.gz	NZNPZNHSCNYGHJ-NSHDSACASA-N	-1	0	292.766	3.293	20	30		CGEDRM
CC(C)c1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000593945712	347121698	/nfs/dbraw/zinc/12/16/98/347121698.db2.gz	PFHGLIVSCODIBP-UHFFFAOYSA-N	-1	0	284.363	3.028	20	30		CGEDRM
CC(C)(C)n1cc(-c2cc(F)ccc2C#N)c(C(=O)[O-])n1	ZINC000594871999	347217583	/nfs/dbraw/zinc/21/75/83/347217583.db2.gz	OESUCLLDMBDGDC-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NC[C@H](C(=O)[O-])C1CCC1	ZINC000595977669	347373373	/nfs/dbraw/zinc/37/33/73/347373373.db2.gz	NUTRZPPWUYOXOW-LBPRGKRZSA-N	-1	0	278.739	3.124	20	30		CGEDRM
CC(C)C[C@@H]1OCCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596197326	347397084	/nfs/dbraw/zinc/39/70/84/347397084.db2.gz	XSJWBZCOWQNWCN-KOLCDFICSA-N	-1	0	299.827	3.096	20	30		CGEDRM
N#C[C@H](Sc1n[n-]c(=NC2CCCCC2)s1)C1CC1	ZINC000601068509	347862610	/nfs/dbraw/zinc/86/26/10/347862610.db2.gz	FWQQZEUWEFWTNX-NSHDSACASA-N	-1	0	294.449	3.099	20	30		CGEDRM
Cc1cccc(-c2nc(=N[C@@H]3CC[C@H](C#N)C3)s[n-]2)c1	ZINC000601178940	347877953	/nfs/dbraw/zinc/87/79/53/347877953.db2.gz	GIKCMFRVBUPSFD-WCQYABFASA-N	-1	0	284.388	3.040	20	30		CGEDRM
C[C@H]1CCC[C@H](n2[n-]c(-c3cccc(C#N)c3)cc2=O)C1	ZINC000601939357	347926548	/nfs/dbraw/zinc/92/65/48/347926548.db2.gz	NZTNKHKNDFEHOW-WFASDCNBSA-N	-1	0	281.359	3.073	20	30		CGEDRM
Cc1nocc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000626356165	350298179	/nfs/dbraw/zinc/29/81/79/350298179.db2.gz	VNPJWHSIHSDHQG-SECBINFHSA-N	-1	0	275.333	3.053	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000634945720	351607416	/nfs/dbraw/zinc/60/74/16/351607416.db2.gz	YEFSRTUDPROADL-CYBMUJFWSA-N	-1	0	287.359	3.182	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000899295657	620635809	/nfs/dbraw/zinc/63/58/09/620635809.db2.gz	PJTUYZDCFSUHEC-NEPJUHHUSA-N	-1	0	275.348	3.416	20	30		CGEDRM
CSCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000153473934	261078792	/nfs/dbraw/zinc/07/87/92/261078792.db2.gz	WZAWUVAAVGXPRU-UHFFFAOYSA-N	-1	0	281.425	3.095	20	30		CGEDRM
COc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545921	369191255	/nfs/dbraw/zinc/19/12/55/369191255.db2.gz	MPDHHCGAWCPIDP-ZDUSSCGKSA-N	-1	0	292.294	3.326	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1	ZINC000073837479	369865983	/nfs/dbraw/zinc/86/59/83/369865983.db2.gz	WBCWHPSKKYCFNZ-ZHACJKMWSA-N	-1	0	281.377	3.175	20	30		CGEDRM
Cc1cscc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000429575681	372375623	/nfs/dbraw/zinc/37/56/23/372375623.db2.gz	DSDRIOLBVXLWRG-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CCCCC12CCCC2	ZINC000329603022	374413569	/nfs/dbraw/zinc/41/35/69/374413569.db2.gz	GDHLLZFNYHONMG-SNVBAGLBSA-N	-1	0	280.397	3.367	20	30		CGEDRM
CCC1(CNC(=O)c2csc(=O)[nH]2)CCCC1	ZINC000329931106	374443023	/nfs/dbraw/zinc/44/30/23/374443023.db2.gz	BCJRWFAQJUZOAJ-UHFFFAOYSA-N	-1	0	254.355	3.124	20	30		CGEDRM
N#CC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCCCC1	ZINC000335075491	375109720	/nfs/dbraw/zinc/10/97/20/375109720.db2.gz	GLZLCVATGVLWKB-UHFFFAOYSA-N	-1	0	280.274	3.083	20	30		CGEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000487919972	375285149	/nfs/dbraw/zinc/28/51/49/375285149.db2.gz	QEIWHFXTIKCRDK-CYBMUJFWSA-N	-1	0	283.331	3.047	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000192872394	375797375	/nfs/dbraw/zinc/79/73/75/375797375.db2.gz	VCMKODAEALLGNC-LZGFCCKTSA-N	-1	0	273.332	3.325	20	30		CGEDRM
N#CC(=C([O-])c1cc2sccc2s1)c1ccncn1	ZINC000544817546	376763422	/nfs/dbraw/zinc/76/34/22/376763422.db2.gz	VZVDVQLBWLMUKE-MRVPVSSYSA-N	-1	0	285.353	3.243	20	30		CGEDRM
N#Cc1ccccc1CSc1nc(C(F)F)cc(=O)[nH]1	ZINC000558457234	377012497	/nfs/dbraw/zinc/01/24/97/377012497.db2.gz	IITJVDSMBNOJNK-UHFFFAOYSA-N	-1	0	293.298	3.284	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CCCC2)n1)c1ccccn1	ZINC000565880620	377490921	/nfs/dbraw/zinc/49/09/21/377490921.db2.gz	SLRFJRFTAOTZBX-LBPRGKRZSA-N	-1	0	281.315	3.217	20	30		CGEDRM
C=CCCC[N@@H+](C)[C@H](C)c1cc(C(=O)[O-])c(C)o1	ZINC000573926939	377595713	/nfs/dbraw/zinc/59/57/13/377595713.db2.gz	FPWMRCQEURQLPR-SNVBAGLBSA-N	-1	0	251.326	3.245	20	30		CGEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])s1)c1ccccc1	ZINC000641897256	380120296	/nfs/dbraw/zinc/12/02/96/380120296.db2.gz	HXMLEGQJUNMSJJ-UHFFFAOYSA-N	-1	0	287.340	3.279	20	30		CGEDRM
C=C(C)CCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000414082619	380188979	/nfs/dbraw/zinc/18/89/79/380188979.db2.gz	CJVAOECHDYZNNF-MRXNPFEDSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C[C@H](CC(=O)[O-])c1ccc(NCc2cc(C#N)n(C)c2)cc1	ZINC000417611283	380650442	/nfs/dbraw/zinc/65/04/42/380650442.db2.gz	OUJORBKNVOTHIV-GFCCVEGCSA-N	-1	0	297.358	3.087	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)o1	ZINC000645953989	380785053	/nfs/dbraw/zinc/78/50/53/380785053.db2.gz	RFUOGROMLIVYJV-ZDUSSCGKSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=CCCOCCN=c1nc(C2CCCCC2)[n-]s1	ZINC000420599835	380854541	/nfs/dbraw/zinc/85/45/41/380854541.db2.gz	DPVPUGJYQVBECM-UHFFFAOYSA-N	-1	0	281.425	3.012	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362132954	381886183	/nfs/dbraw/zinc/88/61/83/381886183.db2.gz	FSMIQVWHIXJXMQ-LLVKDONJSA-N	-1	0	294.232	3.492	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1	ZINC000647377313	392711533	/nfs/dbraw/zinc/71/15/33/392711533.db2.gz	CKODLJTXEUASTB-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379012	392712538	/nfs/dbraw/zinc/71/25/38/392712538.db2.gz	UWEZZZNVMAETDH-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
C=C[C@H](C)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-]	ZINC000342830849	393008935	/nfs/dbraw/zinc/00/89/35/393008935.db2.gz	VSNBKNXGXOPYGF-LBPRGKRZSA-N	-1	0	299.374	3.006	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000659229560	418965467	/nfs/dbraw/zinc/96/54/67/418965467.db2.gz	SJQRINKAZDQXFV-IYBDPMFKSA-N	-1	0	299.370	3.027	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1	ZINC000659166259	418963072	/nfs/dbraw/zinc/96/30/72/418963072.db2.gz	IJKNOWKAFBZVAY-QWRGUYRKSA-N	-1	0	293.388	3.311	20	30		CGEDRM
C=CCCCCC[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1	ZINC000660748918	419189051	/nfs/dbraw/zinc/18/90/51/419189051.db2.gz	CPQHIGLZKMYXRM-UHFFFAOYSA-N	-1	0	263.385	3.062	20	30		CGEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)[C@H]1CC=CCC1	ZINC000049514053	260662223	/nfs/dbraw/zinc/66/22/23/260662223.db2.gz	LYJLSIJMNTUGEK-ZDUSSCGKSA-N	-1	0	285.409	3.209	20	30		CGEDRM
CO[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000188128023	262149728	/nfs/dbraw/zinc/14/97/28/262149728.db2.gz	UYAGQHAYTGMBBU-IOCLVDNSSA-N	-1	0	262.136	3.153	20	30		CGEDRM
CCCCCCCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC000193012769	262214519	/nfs/dbraw/zinc/21/45/19/262214519.db2.gz	XTWNDQPRVCZWAY-UHFFFAOYSA-N	-1	0	295.383	3.002	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)N=c1[n-]nc(C(CC)CC)s1	ZINC000341546641	263343350	/nfs/dbraw/zinc/34/33/50/263343350.db2.gz	ZPKDRWJGZTZDLE-NSHDSACASA-N	-1	0	296.440	3.340	20	30		CGEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1SC(C)C	ZINC000416952111	263766211	/nfs/dbraw/zinc/76/62/11/263766211.db2.gz	JBGCYWXTPFQNIV-NSHDSACASA-N	-1	0	298.433	3.231	20	30		CGEDRM
N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000334086846	264231336	/nfs/dbraw/zinc/23/13/36/264231336.db2.gz	HSAPEDOALRVCGG-GMSGAONNSA-N	-1	0	299.157	3.121	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080457974	264395999	/nfs/dbraw/zinc/39/59/99/264395999.db2.gz	ZICHURSXURJFKY-SNVBAGLBSA-N	-1	0	289.360	3.361	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000192870058	264592847	/nfs/dbraw/zinc/59/28/47/264592847.db2.gz	ZBEXEZCQUBCFPY-GUTXKFCHSA-N	-1	0	289.375	3.167	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361520976	266838853	/nfs/dbraw/zinc/83/88/53/266838853.db2.gz	WYMDBNSBJLVCFK-ZDUSSCGKSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1C(=O)[O-]	ZINC000362572506	267009472	/nfs/dbraw/zinc/00/94/72/267009472.db2.gz	JCOPMUOVDJCRLN-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)c(F)c1	ZINC000075040213	326921643	/nfs/dbraw/zinc/92/16/43/326921643.db2.gz	HECYBWOPIJCWHV-NSHDSACASA-N	-1	0	297.351	3.136	20	30		CGEDRM
COCc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000181390369	329232614	/nfs/dbraw/zinc/23/26/14/329232614.db2.gz	ZCXFGUBZDFTWED-SNVBAGLBSA-N	-1	0	292.385	3.150	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041543377	329566077	/nfs/dbraw/zinc/56/60/77/329566077.db2.gz	JWENJDIIZCRUGS-SNVBAGLBSA-N	-1	0	266.256	3.219	20	30		CGEDRM
C#CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)C1CCCCC1	ZINC000263207167	330049160	/nfs/dbraw/zinc/04/91/60/330049160.db2.gz	KXWITCDMRRFJEG-UHFFFAOYSA-N	-1	0	299.370	3.101	20	30		CGEDRM
CCCc1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000429671083	330551946	/nfs/dbraw/zinc/55/19/46/330551946.db2.gz	ZDVKZDUOFAUYMS-SNVBAGLBSA-N	-1	0	289.360	3.191	20	30		CGEDRM
CC(C)(C)c1nc(=Nc2cccc(CC#N)c2)s[n-]1	ZINC000450891760	331005119	/nfs/dbraw/zinc/00/51/19/331005119.db2.gz	LEXKZGAIOBNXCA-UHFFFAOYSA-N	-1	0	272.377	3.067	20	30		CGEDRM
C=C(C)CCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000452715577	331072866	/nfs/dbraw/zinc/07/28/66/331072866.db2.gz	DRQVEPZZRGWUCN-UHFFFAOYSA-N	-1	0	274.147	3.395	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-]	ZINC000262825056	334574595	/nfs/dbraw/zinc/57/45/95/334574595.db2.gz	FIJFJESEDPEKHJ-XQLPTFJDSA-N	-1	0	293.407	3.129	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)onc2C2CC2)n1	ZINC000581233536	336028749	/nfs/dbraw/zinc/02/87/49/336028749.db2.gz	XSUGRTAKLGVQNS-SNVBAGLBSA-N	-1	0	287.344	3.115	20	30		CGEDRM
C=CCN(Cc1cccc(C(=O)[O-])c1Cl)C1CC1	ZINC000382546947	336093221	/nfs/dbraw/zinc/09/32/21/336093221.db2.gz	PIKOEXYRWWTEQP-UHFFFAOYSA-N	-1	0	265.740	3.189	20	30		CGEDRM
C[C@H](C#N)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000336234482	534285109	/nfs/dbraw/zinc/28/51/09/534285109.db2.gz	MNWDHILFUAXRPK-SCSAIBSYSA-N	-1	0	293.537	3.451	20	30		CGEDRM
CC(C)[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163850886	519799764	/nfs/dbraw/zinc/79/97/64/519799764.db2.gz	FKQLVXPRISBALM-LLVKDONJSA-N	-1	0	286.253	3.098	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCC1	ZINC000262899179	534595328	/nfs/dbraw/zinc/59/53/28/534595328.db2.gz	IQFBBKIOLJCRGP-UHFFFAOYSA-N	-1	0	289.331	3.078	20	30		CGEDRM
C=C[C@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1	ZINC000263275644	534674700	/nfs/dbraw/zinc/67/47/00/534674700.db2.gz	QONGBWWWJJHKEM-CYBMUJFWSA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#Cc1cc(F)ccc1NCc1ccc(C(=O)[O-])cc1	ZINC000111025705	526562163	/nfs/dbraw/zinc/56/21/63/526562163.db2.gz	REVDWUHEIHTLNP-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
CC(C)n1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1	ZINC000355616887	528593321	/nfs/dbraw/zinc/59/33/21/528593321.db2.gz	GGJBDSQLFJWBLO-NSHDSACASA-N	-1	0	294.314	3.095	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cc(F)c(F)c(F)c2)c1	ZINC000727970138	571781600	/nfs/dbraw/zinc/78/16/00/571781600.db2.gz	RPSXHEJSZWWDGT-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
C=CCCCNc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000738492491	571804371	/nfs/dbraw/zinc/80/43/71/571804371.db2.gz	FSOQTNCRIQHEJA-UHFFFAOYSA-N	-1	0	260.337	3.101	20	30		CGEDRM
Cc1ccc([C@@H](CNc2cccc(F)c2C#N)C(=O)[O-])cc1	ZINC000738567486	571863849	/nfs/dbraw/zinc/86/38/49/571863849.db2.gz	GDYUZMBTRXKPKT-CQSZACIVSA-N	-1	0	298.317	3.286	20	30		CGEDRM
C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-]	ZINC000737693756	571935094	/nfs/dbraw/zinc/93/50/94/571935094.db2.gz	HFUUFLOJLXPBMR-GFCCVEGCSA-N	-1	0	296.326	3.022	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000730148712	571951875	/nfs/dbraw/zinc/95/18/75/571951875.db2.gz	KDQJZMRSQCJBKW-WAYWQWQTSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CN(Cc1ccc(N=Cc2ccccc2O)cc1)C(=O)[O-]	ZINC000737477378	572347403	/nfs/dbraw/zinc/34/74/03/572347403.db2.gz	RLYQOEJZGZMYCT-UHFFFAOYSA-N	-1	0	284.315	3.253	20	30		CGEDRM
Cc1ccc(N=NCc2c[nH]c3ccc(C(=O)[O-])cc23)nc1	ZINC000738632577	572360130	/nfs/dbraw/zinc/36/01/30/572360130.db2.gz	IKMBJDCNQSKJMM-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
N#Cc1cnc(Oc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000739143232	572402844	/nfs/dbraw/zinc/40/28/44/572402844.db2.gz	ZLZUPADJRWAPDF-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C/C=C\c2ccccc2)c1	ZINC000732925624	572492542	/nfs/dbraw/zinc/49/25/42/572492542.db2.gz	AWDNKQTUFPWFJG-WDIKYNTMSA-N	-1	0	282.299	3.433	20	30		CGEDRM
Cc1cc(C)c(C#N)c(SCc2cc(C(=O)[O-])co2)n1	ZINC000738350746	572633957	/nfs/dbraw/zinc/63/39/57/572633957.db2.gz	ABRZTTNKCKYDNY-UHFFFAOYSA-N	-1	0	288.328	3.154	20	30		CGEDRM
N#Cc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1F	ZINC000734175216	572635658	/nfs/dbraw/zinc/63/56/58/572635658.db2.gz	UMIOAKJKAXCHNV-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#CC(=C([O-])C1=COCC1)c1nc(-c2ccccc2)cs1	ZINC000744037549	572698128	/nfs/dbraw/zinc/69/81/28/572698128.db2.gz	YCOCEKKWVABPNY-CYBMUJFWSA-N	-1	0	296.351	3.291	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccc(C(F)(F)F)cc2)[nH]1	ZINC000746576553	572882191	/nfs/dbraw/zinc/88/21/91/572882191.db2.gz	ADBVDGWUCLUERR-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
N#Cc1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc1	ZINC000748441721	572977144	/nfs/dbraw/zinc/97/71/44/572977144.db2.gz	TYEXQDIMLCWNIL-CGXWXWIYSA-N	-1	0	282.324	3.283	20	30		CGEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCCC1	ZINC000749544931	573018859	/nfs/dbraw/zinc/01/88/59/573018859.db2.gz	QRVOFGVPABQZAE-JTQLQIEISA-N	-1	0	258.321	3.029	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)s1	ZINC000126494981	598201660	/nfs/dbraw/zinc/20/16/60/598201660.db2.gz	IJHHDYSCOGEMSR-GQCTYLIASA-N	-1	0	283.308	3.214	20	30		CGEDRM
CCCCCCCC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000059140066	600602636	/nfs/dbraw/zinc/60/26/36/600602636.db2.gz	NQGLOYGLQUSLTP-UHFFFAOYSA-N	-1	0	277.364	3.465	20	30		CGEDRM
CCC[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209189	601351986	/nfs/dbraw/zinc/35/19/86/601351986.db2.gz	SBSKARHRAYQCBT-NHYWBVRUSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C#Cc1cccc(NCc2cc(C(=O)[O-])oc2CC)c1	ZINC000825636404	601389968	/nfs/dbraw/zinc/38/99/68/601389968.db2.gz	JGSGAQAUXAILOA-UHFFFAOYSA-N	-1	0	269.300	3.134	20	30		CGEDRM
CC(C)(C#N)CCCNc1ccc(CNC(=O)[O-])cc1	ZINC000826072025	601908310	/nfs/dbraw/zinc/90/83/10/601908310.db2.gz	RGBLTUDSAADUKX-UHFFFAOYSA-N	-1	0	275.352	3.196	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O	ZINC000899349007	620654364	/nfs/dbraw/zinc/65/43/64/620654364.db2.gz	RZJBUJAYDFETEM-GFCCVEGCSA-N	-1	0	280.249	3.067	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])s1	ZINC000825659856	602291017	/nfs/dbraw/zinc/29/10/17/602291017.db2.gz	IQUWNJJOUNUKST-UHFFFAOYSA-N	-1	0	265.334	3.153	20	30		CGEDRM
N#Cc1ccccc1CNc1cccc2c1CCN2C(=O)[O-]	ZINC000831152764	604010405	/nfs/dbraw/zinc/01/04/05/604010405.db2.gz	LTSNWNXLIAVDGS-UHFFFAOYSA-N	-1	0	293.326	3.211	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CNc1cccc(C#N)c1C	ZINC000830378917	604400510	/nfs/dbraw/zinc/40/05/10/604400510.db2.gz	BJYOSYLPXAULQW-UHFFFAOYSA-N	-1	0	284.315	3.332	20	30		CGEDRM
CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(C(=O)[O-])cc1	ZINC000825809067	604632995	/nfs/dbraw/zinc/63/29/95/604632995.db2.gz	LUASRWBAUKIXIA-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
N#Cc1csc(CNc2cccc(NC(=O)[O-])c2)c1	ZINC000833078629	604645000	/nfs/dbraw/zinc/64/50/00/604645000.db2.gz	MLRMDVMBBLSELE-UHFFFAOYSA-N	-1	0	273.317	3.322	20	30		CGEDRM
C=C(C)COc1cc(Br)cc(C(=O)[O-])c1	ZINC000700762928	604795074	/nfs/dbraw/zinc/79/50/74/604795074.db2.gz	LACLKLGSRYSLJA-UHFFFAOYSA-N	-1	0	271.110	3.102	20	30		CGEDRM
O=C([O-])c1c(F)cccc1NCC#Cc1ccc(F)cc1	ZINC000833293922	604816392	/nfs/dbraw/zinc/81/63/92/604816392.db2.gz	IBZYKZGRTRPOSZ-UHFFFAOYSA-N	-1	0	287.265	3.127	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1ccccc1CC(=O)[O-]	ZINC000833430262	605069049	/nfs/dbraw/zinc/06/90/49/605069049.db2.gz	MNFGDYHRQLXTRE-UHFFFAOYSA-N	-1	0	288.391	3.075	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000833374343	605076800	/nfs/dbraw/zinc/07/68/00/605076800.db2.gz	YBMSSPFMEGWYJP-SNVBAGLBSA-N	-1	0	292.379	3.058	20	30		CGEDRM
C=CCCCCCN(C)C(=O)C1CCC(C(=O)[O-])CC1	ZINC000833373826	605087988	/nfs/dbraw/zinc/08/79/88/605087988.db2.gz	DYGCAWIYLVMGOZ-UHFFFAOYSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CCC[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000833373131	605118142	/nfs/dbraw/zinc/11/81/42/605118142.db2.gz	GXLZMIIVRBEBSP-AWEZNQCLSA-N	-1	0	292.306	3.426	20	30		CGEDRM
C=CCCSCCOc1ccccc1C(=O)[O-]	ZINC000833375126	605158925	/nfs/dbraw/zinc/15/89/25/605158925.db2.gz	WYSWKINVJJIHAO-UHFFFAOYSA-N	-1	0	252.335	3.073	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000398189878	605251889	/nfs/dbraw/zinc/25/18/89/605251889.db2.gz	AHHPTGPWLGVHKX-NSHDSACASA-N	-1	0	276.336	3.251	20	30		CGEDRM
O=C([O-])N[C@H]1CCCCCC1N=Nc1cc(Cl)ccn1	ZINC000834182144	605307562	/nfs/dbraw/zinc/30/75/62/605307562.db2.gz	HWMQXWSPAACPJK-JTQLQIEISA-N	-1	0	296.758	3.103	20	30		CGEDRM
O=C([O-])NCCCN=Nc1cc(Cl)ccc1Cl	ZINC000832605279	605467106	/nfs/dbraw/zinc/46/71/06/605467106.db2.gz	OOPHANQVRYAIIY-UHFFFAOYSA-N	-1	0	276.123	3.049	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833361945	605575276	/nfs/dbraw/zinc/57/52/76/605575276.db2.gz	SRNGNPSNMZZTGF-UHFFFAOYSA-N	-1	0	273.332	3.215	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000833387175	605595667	/nfs/dbraw/zinc/59/56/67/605595667.db2.gz	RYWRILWPWZZUFR-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C#CCCCCCC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000833361527	605625639	/nfs/dbraw/zinc/62/56/39/605625639.db2.gz	ACYXJZFNKVQTMZ-HUUCEWRRSA-N	-1	0	293.407	3.110	20	30		CGEDRM
C#CCCCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1F	ZINC000833362113	605673236	/nfs/dbraw/zinc/67/32/36/605673236.db2.gz	ZTZYJGJNUPTDJF-HNNXBMFYSA-N	-1	0	292.306	3.078	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1ccc(CC(=O)[O-])cc1F	ZINC000833369645	605796407	/nfs/dbraw/zinc/79/64/07/605796407.db2.gz	BSOYWIKUADPGGN-UHFFFAOYSA-N	-1	0	292.306	3.127	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1cc([O-])ccc1[N+](=O)[O-])C2	ZINC000255063801	617895510	/nfs/dbraw/zinc/89/55/10/617895510.db2.gz	QIKNCNLHCHISEP-MDWZMJQESA-N	-1	0	295.294	3.431	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2ccsc2)c1	ZINC000255173388	618035203	/nfs/dbraw/zinc/03/52/03/618035203.db2.gz	MLDGDDUPFLBVQF-ZSOIEALJSA-N	-1	0	276.317	3.024	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccccc1	ZINC000812406450	617779096	/nfs/dbraw/zinc/77/90/96/617779096.db2.gz	FPMMMBSWYPXNTH-AGEOTTOMSA-N	-1	0	265.740	3.147	20	30		CGEDRM
O=C(/C=C\c1cccc2c1OCO2)c1ccccc1[O-]	ZINC000255213499	618091070	/nfs/dbraw/zinc/09/10/70/618091070.db2.gz	YJVFLFAIDYDYEG-HJWRWDBZSA-N	-1	0	268.268	3.017	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Sc1ccccc1Cl	ZINC000846549877	618093968	/nfs/dbraw/zinc/09/39/68/618093968.db2.gz	LSWTWVKPGCMOPH-ZJUUUORDSA-N	-1	0	285.796	3.443	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc(C)cc2[O-])ccc1O	ZINC000156704564	618130597	/nfs/dbraw/zinc/13/05/97/618130597.db2.gz	CRUFGTNYYOSDDT-QPJJXVBHSA-N	-1	0	284.311	3.311	20	30		CGEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cccc(O)c1	ZINC000255376866	618242696	/nfs/dbraw/zinc/24/26/96/618242696.db2.gz	ZDOXDKDHKJKRMV-PLNGDYQASA-N	-1	0	276.238	3.272	20	30		CGEDRM
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1	ZINC000255638484	618771379	/nfs/dbraw/zinc/77/13/79/618771379.db2.gz	JZFZPQZIHMXXDW-WTKPLQERSA-N	-1	0	299.301	3.386	20	30		CGEDRM
Cc1ncccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000255770798	618790089	/nfs/dbraw/zinc/79/00/89/618790089.db2.gz	KCIFROSXPASLPG-DAXSKMNVSA-N	-1	0	257.264	3.131	20	30		CGEDRM
C#CCCCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000255829109	618794856	/nfs/dbraw/zinc/79/48/56/618794856.db2.gz	BGYPQFMFNLRFKF-DHDCSXOGSA-N	-1	0	280.711	3.176	20	30		CGEDRM
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(F)cc1[O-]	ZINC000255878267	618841743	/nfs/dbraw/zinc/84/17/43/618841743.db2.gz	KUKJLMOVTJILHE-RJRFIUFISA-N	-1	0	293.275	3.397	20	30		CGEDRM
CS[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000783681575	618915906	/nfs/dbraw/zinc/91/59/06/618915906.db2.gz	HUMYFBSCUPWGDP-MGMWDDNKSA-N	-1	0	296.392	3.497	20	30		CGEDRM
CS[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000783681570	618916196	/nfs/dbraw/zinc/91/61/96/618916196.db2.gz	HUMYFBSCUPWGDP-LIOBOASVSA-N	-1	0	296.392	3.497	20	30		CGEDRM
CC(CSCCF)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000853355297	618986629	/nfs/dbraw/zinc/98/66/29/618986629.db2.gz	KWDGLFCJZAHBOV-UHFFFAOYSA-N	-1	0	288.319	3.014	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CC1	ZINC000048518989	619502991	/nfs/dbraw/zinc/50/29/91/619502991.db2.gz	VGDPKEHMPXNGAX-HJWRWDBZSA-N	-1	0	299.779	3.342	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000909510559	619790160	/nfs/dbraw/zinc/79/01/60/619790160.db2.gz	JEFXNBMTHIFDMC-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
Cc1cccnc1CCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840710958	620125069	/nfs/dbraw/zinc/12/50/69/620125069.db2.gz	VUEGCJQZIHZDSC-GZTJUZNOSA-N	-1	0	299.330	3.056	20	30		CGEDRM
CC(C)OCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000799864456	620305958	/nfs/dbraw/zinc/30/59/58/620305958.db2.gz	NVDWMBLIEWFGAA-UHFFFAOYSA-N	-1	0	284.743	3.251	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1CCC#N	ZINC000905022959	622031206	/nfs/dbraw/zinc/03/12/06/622031206.db2.gz	IQKNVCNDYGNBAQ-GFCCVEGCSA-N	-1	0	275.739	3.291	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)C2(C(=O)[O-])CCCC2)c1	ZINC000908248907	622337090	/nfs/dbraw/zinc/33/70/90/622337090.db2.gz	KHPNHANZRZRATL-UHFFFAOYSA-N	-1	0	273.332	3.303	20	30		CGEDRM
C#Cc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1	ZINC000908707992	622369229	/nfs/dbraw/zinc/36/92/29/622369229.db2.gz	MKYNXJRVZGDNMJ-UHFFFAOYSA-N	-1	0	297.354	3.032	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000909295950	622413992	/nfs/dbraw/zinc/41/39/92/622413992.db2.gz	KVHZAEMWQBJXOP-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCC(C)(C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000910367722	622479466	/nfs/dbraw/zinc/47/94/66/622479466.db2.gz	XUHQBRYPFQLDEG-GFCCVEGCSA-N	-1	0	287.359	3.194	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000156716774	622841240	/nfs/dbraw/zinc/84/12/40/622841240.db2.gz	XBGRHIJUXWCUBV-SNAWJCMRSA-N	-1	0	263.293	3.192	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000225174296	622898665	/nfs/dbraw/zinc/89/86/65/622898665.db2.gz	CQYMFXFNDNKENF-BQYQJAHWSA-N	-1	0	297.266	3.189	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000229026414	623093517	/nfs/dbraw/zinc/09/35/17/623093517.db2.gz	ZKMUKDFWEDWYQE-KCQAQPDRSA-N	-1	0	281.396	3.059	20	30		CGEDRM
C[C@@H]1C(=NNCCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814920146	624002484	/nfs/dbraw/zinc/00/24/84/624002484.db2.gz	CACJWILSJAFLCL-BDAKNGLRSA-N	-1	0	294.317	3.041	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000916346746	624148847	/nfs/dbraw/zinc/14/88/47/624148847.db2.gz	SCALDAYNJWNCMW-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
O=C([O-])c1ccc(C=NNCc2ccccc2Cl)cc1	ZINC000918153248	624337668	/nfs/dbraw/zinc/33/76/68/624337668.db2.gz	STHHQHOMCWUYRA-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
O=C([O-])c1cccc(N=NC=CCc2ccco2)c1	ZINC000920356511	624480698	/nfs/dbraw/zinc/48/06/98/624480698.db2.gz	MSOUTVCZJCJVEL-POGKRSPNSA-N	-1	0	256.261	3.089	20	30		CGEDRM
CCS[C@@H](C(=O)[N-]S(=O)(=O)C(CC)CC)C(C)C	ZINC000073837500	626069362	/nfs/dbraw/zinc/06/93/62/626069362.db2.gz	XMCKDWYOZJPGLE-LLVKDONJSA-N	-1	0	295.470	3.239	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])sc2C)CC1	ZINC000923091175	626129801	/nfs/dbraw/zinc/12/98/01/626129801.db2.gz	BIAHLISVTDEZOA-UHFFFAOYSA-N	-1	0	279.361	3.440	20	30		CGEDRM
Cc1cccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000751131041	626376829	/nfs/dbraw/zinc/37/68/29/626376829.db2.gz	JYIGSZMUFYIRHV-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
CC(C)(C)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755466510	626624876	/nfs/dbraw/zinc/62/48/76/626624876.db2.gz	DRRNNJZUMGDQDH-UHFFFAOYSA-N	-1	0	254.717	3.482	20	30		CGEDRM
Cc1ncsc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000757477035	626782002	/nfs/dbraw/zinc/78/20/02/626782002.db2.gz	XXNPTROYCQQHNJ-IHWYPQMZSA-N	-1	0	281.283	3.331	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000757476296	626782274	/nfs/dbraw/zinc/78/22/74/626782274.db2.gz	PINWFUITTCXKKA-UPHRSURJSA-N	-1	0	291.278	3.500	20	30		CGEDRM
O=C(/C=C\c1ccc(Cl)nc1)c1ccc(F)cc1[O-]	ZINC000757477016	626782449	/nfs/dbraw/zinc/78/24/49/626782449.db2.gz	XAIMLFAQHIMXBL-KTAJNNJTSA-N	-1	0	277.682	3.476	20	30		CGEDRM
O=C(/C=C/c1nc(Cl)cs1)c1ccccc1[O-]	ZINC000759085643	626873478	/nfs/dbraw/zinc/87/34/78/626873478.db2.gz	WHHMWAUCOSHFPA-AATRIKPKSA-N	-1	0	265.721	3.398	20	30		CGEDRM
C=C[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805197306	626941756	/nfs/dbraw/zinc/94/17/56/626941756.db2.gz	BTKNXDGLIFFLNI-ZETCQYMHSA-N	-1	0	289.162	3.073	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CC23CCCC3)c1	ZINC000760989677	627007604	/nfs/dbraw/zinc/00/76/04/627007604.db2.gz	DVRMMQNURKKVBZ-MLJKTZRHSA-N	-1	0	260.293	3.052	20	30		CGEDRM
C=CCCCCCCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000805220957	627022594	/nfs/dbraw/zinc/02/25/94/627022594.db2.gz	IFHDLNWIFPVSRG-UHFFFAOYSA-N	-1	0	288.800	3.368	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccc(F)c(Cl)c2)nc1	ZINC000763371577	627154270	/nfs/dbraw/zinc/15/42/70/627154270.db2.gz	FDXZQJOUQGJGRP-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccc(F)cc2)c1	ZINC000765824388	627274270	/nfs/dbraw/zinc/27/42/70/627274270.db2.gz	LZVHVHHCIUTVRC-WAYWQWQTSA-N	-1	0	276.288	3.482	20	30		CGEDRM
N#Cc1cc(/C=C\C(=O)c2ccccc2[O-])ccc1F	ZINC000770573368	627627608	/nfs/dbraw/zinc/62/76/08/627627608.db2.gz	XMKYEOYPKBISMC-VURMDHGXSA-N	-1	0	267.259	3.299	20	30		CGEDRM
O=C(C#Cc1ccccc1)Nc1cc(F)cc(Cl)c1[O-]	ZINC000771504145	627715806	/nfs/dbraw/zinc/71/58/06/627715806.db2.gz	JSYLIDVTUIHODR-UHFFFAOYSA-N	-1	0	289.693	3.175	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000772802409	627824783	/nfs/dbraw/zinc/82/47/83/627824783.db2.gz	PJCLQPDENLOIIG-CLTKARDFSA-N	-1	0	299.282	3.211	20	30		CGEDRM
CCc1cnccc1[C@@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000773150218	627863028	/nfs/dbraw/zinc/86/30/28/627863028.db2.gz	OFGBTQCKEQTEGU-IPHDDYSGSA-N	-1	0	299.330	3.438	20	30		CGEDRM
O=C1c2ccc(F)cc2O/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000773174783	627865511	/nfs/dbraw/zinc/86/55/11/627865511.db2.gz	XKJQPAVYNJRSAQ-ACAGNQJTSA-N	-1	0	292.212	3.426	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000782349489	628641092	/nfs/dbraw/zinc/64/10/92/628641092.db2.gz	YVZOTBWCKMVRLA-QHHAFSJGSA-N	-1	0	275.254	3.270	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(F)c1	ZINC000783522665	628721544	/nfs/dbraw/zinc/72/15/44/628721544.db2.gz	XDSMWKIUDUAWBL-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2ccc(F)cc2[O-])s1	ZINC000783710681	628742153	/nfs/dbraw/zinc/74/21/53/628742153.db2.gz	LQYBHUCMFGJEET-AATRIKPKSA-N	-1	0	277.320	3.446	20	30		CGEDRM
CC[C@H](NN=C(C)c1cc2cc(C)c(C)cc2o1)C(=O)[O-]	ZINC000793057665	629406642	/nfs/dbraw/zinc/40/66/42/629406642.db2.gz	OYCNZRJKLUJSCZ-ZDUSSCGKSA-N	-1	0	288.347	3.226	20	30		CGEDRM
CC[C@H](NN=C1CCC2(CCCCC2)CC1)C(=O)[O-]	ZINC000793071432	629407962	/nfs/dbraw/zinc/40/79/62/629407962.db2.gz	IQTRTIJTIWUMKZ-ZDUSSCGKSA-N	-1	0	266.385	3.320	20	30		CGEDRM
CCCCCCCNC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000864161085	629787234	/nfs/dbraw/zinc/78/72/34/629787234.db2.gz	YIUYDGIHAQUWRZ-UHFFFAOYSA-N	-1	0	291.391	3.404	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)CC1(C)CCCCC1)C(=O)[O-]	ZINC000864186502	629794370	/nfs/dbraw/zinc/79/43/70/629794370.db2.gz	QYQDCCYTDYJMIX-NSHDSACASA-N	-1	0	287.787	3.059	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864188385	629794432	/nfs/dbraw/zinc/79/44/32/629794432.db2.gz	HRVVZHWNQSTARF-SREVYHEPSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@H](CC)CCCC)C(=O)[O-]	ZINC000864184952	629794548	/nfs/dbraw/zinc/79/45/48/629794548.db2.gz	ULBRNAUIRAPQKY-VXGBXAGGSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)/C=C\C1CCCCCC1)C(=O)[O-]	ZINC000864186402	629794663	/nfs/dbraw/zinc/79/46/63/629794663.db2.gz	OMQUWTZZYSVGSU-YXVBKTCISA-N	-1	0	299.798	3.225	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cn(C3CC3)cn2)c([O-])c1	ZINC000865219968	630027613	/nfs/dbraw/zinc/02/76/13/630027613.db2.gz	AXXAJFBWZTVCHM-CLTKARDFSA-N	-1	0	268.316	3.128	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])ccc1C#N	ZINC000799497182	630191456	/nfs/dbraw/zinc/19/14/56/630191456.db2.gz	JYOVGZXRQJALQA-UTCJRWHESA-N	-1	0	297.285	3.308	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H](c3cccnc3)C2)n1	ZINC000799866123	630235886	/nfs/dbraw/zinc/23/58/86/630235886.db2.gz	UVNYBQQKEDGDGP-GFCCVEGCSA-N	-1	0	297.362	3.011	20	30		CGEDRM
Cn1cnc(/C=C/C(=O)c2ccc3ccccc3c2[O-])c1	ZINC000800794752	630298534	/nfs/dbraw/zinc/29/85/34/630298534.db2.gz	PFZSGEFRZIIAFO-VQHVLOKHSA-N	-1	0	278.311	3.175	20	30		CGEDRM
Cc1[nH]c(C=NNc2cccc(Cl)c2F)cc1C(=O)[O-]	ZINC000800810943	630301037	/nfs/dbraw/zinc/30/10/37/630301037.db2.gz	AGWSHMSNCGAWRP-UHFFFAOYSA-N	-1	0	295.701	3.260	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC[C@@H](C)C1	ZINC000800815266	630301656	/nfs/dbraw/zinc/30/16/56/630301656.db2.gz	ROISRNKZBQQHCA-GHMZBOCLSA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000806558657	630566591	/nfs/dbraw/zinc/56/65/91/630566591.db2.gz	IMWBRNYIAWWCSP-RMKNXTFCSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc(Cl)nc2)c1	ZINC000806558575	630566656	/nfs/dbraw/zinc/56/66/56/630566656.db2.gz	GQLFGPBMDYQNFI-GQCTYLIASA-N	-1	0	287.702	3.329	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccc(F)c2)c1	ZINC000806559003	630566876	/nfs/dbraw/zinc/56/68/76/630566876.db2.gz	RNWAELKHALJQGJ-FPLPWBNLSA-N	-1	0	270.259	3.420	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccc(F)c2)c1	ZINC000806559002	630566977	/nfs/dbraw/zinc/56/69/77/630566977.db2.gz	RNWAELKHALJQGJ-BQYQJAHWSA-N	-1	0	270.259	3.420	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ccccn1	ZINC000811632001	631094270	/nfs/dbraw/zinc/09/42/70/631094270.db2.gz	VTQSHXKABFYXFN-UHFFFAOYSA-N	-1	0	295.342	3.322	20	30		CGEDRM
CCCC(=NNc1ccc(C(=O)[O-])cc1)c1cccnc1	ZINC000814680692	631620890	/nfs/dbraw/zinc/62/08/90/631620890.db2.gz	DWJLCSIIUAMNIC-UHFFFAOYSA-N	-1	0	283.331	3.396	20	30		CGEDRM
O=C([O-])c1cccc(C=NN=c2[nH]c3ccccc3s2)c1	ZINC000814684895	631621559	/nfs/dbraw/zinc/62/15/59/631621559.db2.gz	IVYAXWNZGOFYGX-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(F)cc1	ZINC000814693487	631625292	/nfs/dbraw/zinc/62/52/92/631625292.db2.gz	SVWRMHHWHCJIAJ-UHFFFAOYSA-N	-1	0	264.300	3.259	20	30		CGEDRM
C[C@@H](NN=Cc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000814815368	631648151	/nfs/dbraw/zinc/64/81/51/631648151.db2.gz	VGRPHAKJAYOBTC-GFCCVEGCSA-N	-1	0	268.316	3.070	20	30		CGEDRM
C[C@H]1CC(=NNCCCc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814837973	631652930	/nfs/dbraw/zinc/65/29/30/631652930.db2.gz	TWNCPOSLYZLAKF-BBRMVZONSA-N	-1	0	288.391	3.086	20	30		CGEDRM
CCC(CC)NN=Cc1cc(C(=O)[O-])c(C)cc1C	ZINC000814851629	631655903	/nfs/dbraw/zinc/65/59/03/631655903.db2.gz	RPTNJWPPMUVFRH-UHFFFAOYSA-N	-1	0	262.353	3.114	20	30		CGEDRM
Cc1ccnc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)c1	ZINC000814868342	631659275	/nfs/dbraw/zinc/65/92/75/631659275.db2.gz	OQCFGSUHVXVCAY-VXGBXAGGSA-N	-1	0	289.379	3.315	20	30		CGEDRM
C[C@@H]1C(=NNCc2ccc(Cl)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814873222	631661323	/nfs/dbraw/zinc/66/13/23/631661323.db2.gz	RYHALDPFGCUXEU-JQWIXIFHSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@@H]1CC(=NOCc2ccc(F)cc2)CC[C@@H]1C(=O)[O-]	ZINC000814903567	631673819	/nfs/dbraw/zinc/67/38/19/631673819.db2.gz	PBSQFTKMFLBHBR-YGRLFVJLSA-N	-1	0	279.311	3.219	20	30		CGEDRM
C[C@@H]1CC(=NN[C@@H]2CCCC2(C)C)CC[C@@H]1C(=O)[O-]	ZINC000814916806	631680143	/nfs/dbraw/zinc/68/01/43/631680143.db2.gz	FKZXDNMDYURVGK-KGYLQXTDSA-N	-1	0	266.385	3.032	20	30		CGEDRM
C[C@@H]1CC(=NN[C@H]2CCCCC2(C)C)CC[C@H]1C(=O)[O-]	ZINC000814918051	631681041	/nfs/dbraw/zinc/68/10/41/631681041.db2.gz	ZJSQJNDEZCHFRG-BNOWGMLFSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H](NN=Cc1cccc(C(=O)[O-])c1Cl)C(C)(C)C	ZINC000814937698	631691499	/nfs/dbraw/zinc/69/14/99/631691499.db2.gz	BHGFDORKFXKIOR-SECBINFHSA-N	-1	0	282.771	3.396	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc(Cl)n1	ZINC000814939474	631692991	/nfs/dbraw/zinc/69/29/91/631692991.db2.gz	RLGMHIHIIZVOLR-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814939651	631694027	/nfs/dbraw/zinc/69/40/27/631694027.db2.gz	XXKUQGYICDQEJE-YPMHNXCESA-N	-1	0	293.363	3.325	20	30		CGEDRM
CCCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000103815823	632236312	/nfs/dbraw/zinc/23/63/12/632236312.db2.gz	PGQUYTYQRNBYFI-CYBMUJFWSA-N	-1	0	269.385	3.060	20	30		CGEDRM
CC(=NN[C@@H](C)c1ccncc1)[C@H](C)CCCCC(=O)[O-]	ZINC000819819438	632526695	/nfs/dbraw/zinc/52/66/95/632526695.db2.gz	ZQMUEWMLMAKXFN-OCCSQVGLSA-N	-1	0	291.395	3.389	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@H]2CCCO2)n1	ZINC000820184362	632584114	/nfs/dbraw/zinc/58/41/14/632584114.db2.gz	OIIUFJXPEVIJHB-IEVRTODYSA-N	-1	0	290.388	3.178	20	30		CGEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000122718347	633495296	/nfs/dbraw/zinc/49/52/96/633495296.db2.gz	DWENZAJOIIJQJV-HWKANZROSA-N	-1	0	297.141	3.329	20	30		CGEDRM
CCCCCCCCC(=O)NC1(CC(=O)[O-])CCC1	ZINC000123346029	633662511	/nfs/dbraw/zinc/66/25/11/633662511.db2.gz	UOCMBCWSEMJYGQ-UHFFFAOYSA-N	-1	0	269.385	3.251	20	30		CGEDRM
O=c1c2ccccc2[n-]c(=S)n1N=CCCCC1CC1	ZINC000872339450	634111036	/nfs/dbraw/zinc/11/10/36/634111036.db2.gz	LKYGRKDHOIDBOW-UHFFFAOYSA-N	-1	0	287.388	3.099	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCC(F)(F)C2)c(F)c1	ZINC000872380021	634127257	/nfs/dbraw/zinc/12/72/57/634127257.db2.gz	SOBJWKLCJCDNKL-QMMMGPOBSA-N	-1	0	286.253	3.357	20	30		CGEDRM
CC(C)C1(CN=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000872387101	634128630	/nfs/dbraw/zinc/12/86/30/634128630.db2.gz	LVIDIYLHNWFOSB-UHFFFAOYSA-N	-1	0	260.337	3.148	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000834660538	634211117	/nfs/dbraw/zinc/21/11/17/634211117.db2.gz	PORQIYRSUGGMTL-LLVKDONJSA-N	-1	0	288.372	3.297	20	30		CGEDRM
CC1(C)CCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008453	634312565	/nfs/dbraw/zinc/31/25/65/634312565.db2.gz	JFTOGDVHLJENPP-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@H]1CC[C@H](C)C(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835009963	634314332	/nfs/dbraw/zinc/31/43/32/634314332.db2.gz	JKYUBBUTWMHDLH-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@@H]1CC[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009525	634314522	/nfs/dbraw/zinc/31/45/22/634314522.db2.gz	USSCCWICGZQQGE-ZJUUUORDSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C[C@H]1CC[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009521	634314575	/nfs/dbraw/zinc/31/45/75/634314575.db2.gz	USSCCWICGZQQGE-UWVGGRQHSA-N	-1	0	264.300	3.358	20	30		CGEDRM
O=c1[n-]c(N=NC2C[C@H]3C=C[C@@H]2CC3)nc2ccccc21	ZINC000842528825	635392453	/nfs/dbraw/zinc/39/24/53/635392453.db2.gz	VNXBQEHQFDRLII-WDEREUQCSA-N	-1	0	280.331	3.089	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1	ZINC000843842610	635787616	/nfs/dbraw/zinc/78/76/16/635787616.db2.gz	LGZAPMDQPHRJGI-KGLIPLIRSA-N	-1	0	284.359	3.419	20	30		CGEDRM
C=C[C@@H](C)ON=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000844620081	635943221	/nfs/dbraw/zinc/94/32/21/635943221.db2.gz	HJAZUAJGPABAFM-CYBMUJFWSA-N	-1	0	291.347	3.050	20	30		CGEDRM
C=C[C@H](C)ON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000844620295	635943414	/nfs/dbraw/zinc/94/34/14/635943414.db2.gz	JQLNHSQGPXIEGV-WCQGTBRESA-N	-1	0	253.342	3.090	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](Sc1ccccc1)C(C)C	ZINC000846539127	636195923	/nfs/dbraw/zinc/19/59/23/636195923.db2.gz	OYLXXVTXXKEEDC-CQSZACIVSA-N	-1	0	279.405	3.427	20	30		CGEDRM
Cc1cc(Cl)ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000129880391	636390040	/nfs/dbraw/zinc/39/00/40/636390040.db2.gz	QTZFBMIVPLJNLJ-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CC1(C)CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415534	636571308	/nfs/dbraw/zinc/57/13/08/636571308.db2.gz	OCVAGCQSUREFAJ-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C(C)C)C(=O)O1	ZINC000848639532	636626123	/nfs/dbraw/zinc/62/61/23/636626123.db2.gz	VTTFGVIQOIDKTB-KBOKABMXSA-N	-1	0	298.338	3.038	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1/N=C/c1c(O)c(C)ncc1CO	ZINC000849170506	636762220	/nfs/dbraw/zinc/76/22/20/636762220.db2.gz	MODOZMITVZZOBW-PQBAJORESA-N	-1	0	288.391	3.142	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2C=CCC2)c1[O-]	ZINC000849170917	636763014	/nfs/dbraw/zinc/76/30/14/636763014.db2.gz	WTMJZHYDLRZGHW-QOUOVQQFSA-N	-1	0	266.684	3.091	20	30		CGEDRM
Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086055649	636781275	/nfs/dbraw/zinc/78/12/75/636781275.db2.gz	DJOMZYAZIHLGEE-GFCCVEGCSA-N	-1	0	295.404	3.327	20	30		CGEDRM
Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086055650	636781401	/nfs/dbraw/zinc/78/14/01/636781401.db2.gz	DJOMZYAZIHLGEE-LBPRGKRZSA-N	-1	0	295.404	3.327	20	30		CGEDRM
C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056614	636781968	/nfs/dbraw/zinc/78/19/68/636781968.db2.gz	PZPBDDWJAQHDMM-LBPRGKRZSA-N	-1	0	295.404	3.094	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC2=CCCC2)c1	ZINC000133103174	636872925	/nfs/dbraw/zinc/87/29/25/636872925.db2.gz	DWGHKVLMKDTEHO-XNTDXEJSSA-N	-1	0	260.293	3.220	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2)CC1	ZINC000884371402	637015560	/nfs/dbraw/zinc/01/55/60/637015560.db2.gz	MSQNMZMRQCZGMU-AWEZNQCLSA-N	-1	0	276.336	3.132	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC(CF)(CF)C2)c(F)c1	ZINC000853355969	637824747	/nfs/dbraw/zinc/82/47/47/637824747.db2.gz	XZUAFTFPGPCZMT-UHFFFAOYSA-N	-1	0	286.253	3.011	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1	ZINC000039332724	639691057	/nfs/dbraw/zinc/69/10/57/639691057.db2.gz	ZRJUPUUIMRDPNZ-UHFFFAOYSA-N	-1	0	295.747	3.034	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCCc2ccccc21	ZINC000042344889	639916253	/nfs/dbraw/zinc/91/62/53/639916253.db2.gz	FMIMGVKXHZBPGE-AWEZNQCLSA-N	-1	0	295.404	3.193	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C/c2cccc(C#N)c2)c1	ZINC000156693085	639980684	/nfs/dbraw/zinc/98/06/84/639980684.db2.gz	PKVWHEVSBKPBGZ-FNORWQNLSA-N	-1	0	279.295	3.169	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCC1CCCC1	ZINC000078777688	640341472	/nfs/dbraw/zinc/34/14/72/640341472.db2.gz	APJGOCWELJRZLQ-UHFFFAOYSA-N	-1	0	261.387	3.043	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1nc(C)cs1	ZINC000194786615	640553790	/nfs/dbraw/zinc/55/37/90/640553790.db2.gz	UGMUZRVCAWTXNN-UHFFFAOYSA-N	-1	0	276.427	3.164	20	30		CGEDRM
Fc1ccc(-c2n[n-]c(=S)n2N=Cc2cccnc2)cc1	ZINC000254319741	640908150	/nfs/dbraw/zinc/90/81/50/640908150.db2.gz	NPEKWGIMHQTVNI-UHFFFAOYSA-N	-1	0	299.334	3.024	20	30		CGEDRM
Fc1cccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c1	ZINC000254818933	640915594	/nfs/dbraw/zinc/91/55/94/640915594.db2.gz	NFEWCMOFSBJWLP-UHFFFAOYSA-N	-1	0	288.307	3.222	20	30		CGEDRM
O=C(/C=C/c1cccnc1)c1ccc([O-])c(Cl)c1	ZINC000119253444	641040084	/nfs/dbraw/zinc/04/00/84/641040084.db2.gz	GUEMFCZIKMOYMR-HWKANZROSA-N	-1	0	259.692	3.337	20	30		CGEDRM
Cn1c2cc(Cl)ccc2nc1-c1cc(C#N)ccc1[O-]	ZINC001251180136	805858807	/nfs/dbraw/zinc/85/88/07/805858807.db2.gz	DLUMVSPQHJJLIR-UHFFFAOYSA-N	-1	0	283.718	3.471	20	30		CGEDRM
Cc1cc2[nH]c(-c3cc(C#N)ccc3[O-])nc2cc1F	ZINC001251180152	805860180	/nfs/dbraw/zinc/86/01/80/805860180.db2.gz	FWXDBKSEUSQEHS-UHFFFAOYSA-N	-1	0	267.263	3.255	20	30		CGEDRM
Cc1cc(Nc2c(C)cc(C#N)cc2C#N)ccc1C(=O)[O-]	ZINC001211658504	814927334	/nfs/dbraw/zinc/92/73/34/814927334.db2.gz	QCYCFMPLNMWVBQ-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
Cc1ccc(-c2nnc(CCC(=O)C3=CC=C[CH]3)o2)cc1	ZINC001252655644	806098393	/nfs/dbraw/zinc/09/83/93/806098393.db2.gz	CRDQTQCRKCOPMC-UHFFFAOYSA-N	-1	0	279.319	3.247	20	30		CGEDRM
C=CCCCCCC[C@H](O)CNc1cc(=O)[n-]c(Cl)n1	ZINC001253232502	806187318	/nfs/dbraw/zinc/18/73/18/806187318.db2.gz	PDNZXIJAKWOBMY-NSHDSACASA-N	-1	0	299.802	3.135	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000046929928	798890973	/nfs/dbraw/zinc/89/09/73/798890973.db2.gz	LFPLMXVYMDRLMY-UHFFFAOYSA-N	-1	0	269.366	3.139	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC000163920875	799083619	/nfs/dbraw/zinc/08/36/19/799083619.db2.gz	RIFUBEYQPHOLLM-UHFFFAOYSA-N	-1	0	282.255	3.018	20	30		CGEDRM
COc1cccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176403892	799096547	/nfs/dbraw/zinc/09/65/47/799096547.db2.gz	JTVACMNZLQWCTF-LLVKDONJSA-N	-1	0	296.326	3.015	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000316533270	799242459	/nfs/dbraw/zinc/24/24/59/799242459.db2.gz	WPHDOSSZYRFGSR-LLVKDONJSA-N	-1	0	296.754	3.189	20	30		CGEDRM
O=C(C=Cc1ccccc1[N+](=O)[O-])c1sccc1[O-]	ZINC000588495723	799701817	/nfs/dbraw/zinc/70/18/17/799701817.db2.gz	ACRZOMIYKOLNIU-WAYWQWQTSA-N	-1	0	275.285	3.258	20	30		CGEDRM
O=C(C=Cc1csc([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000588495694	799702162	/nfs/dbraw/zinc/70/21/62/799702162.db2.gz	XFFJLCCGCITAJW-UPHRSURJSA-N	-1	0	281.314	3.320	20	30		CGEDRM
CC(=O)Nc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588495747	799702181	/nfs/dbraw/zinc/70/21/81/799702181.db2.gz	KFTQWLQQUYYQFT-DAXSKMNVSA-N	-1	0	287.340	3.308	20	30		CGEDRM
C[C@H](C#N)Oc1ccccc1NC1CCC(C(=O)[O-])CC1	ZINC000840995013	800501005	/nfs/dbraw/zinc/50/10/05/800501005.db2.gz	AVRXEUSNCFZGBK-PNESKVBLSA-N	-1	0	288.347	3.033	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	ZINC001164413857	806945751	/nfs/dbraw/zinc/94/57/51/806945751.db2.gz	JEALUTNYVGPRLM-CBBWQLFWSA-N	-1	0	283.412	3.086	20	30		CGEDRM
C=CC[C@@H](NC(=O)C[C@H](CC)c1ccc(C)cc1)C(=O)[O-]	ZINC001116921962	802429236	/nfs/dbraw/zinc/42/92/36/802429236.db2.gz	KYKWDCRSRJGSHD-DZGCQCFKSA-N	-1	0	289.375	3.024	20	30		CGEDRM
CC(C)(C)n1ncc(C#N)c1Nc1ccc(C(=O)[O-])s1	ZINC001174806197	809166321	/nfs/dbraw/zinc/16/63/21/809166321.db2.gz	WQKGLLHGFNDBIJ-UHFFFAOYSA-N	-1	0	290.348	3.013	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC001120097525	802734921	/nfs/dbraw/zinc/73/49/21/802734921.db2.gz	HKHXRFUXHDZXCP-VIFPVBQESA-N	-1	0	286.158	3.490	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cccc(CS)c2)c1	ZINC001244178112	803227530	/nfs/dbraw/zinc/22/75/30/803227530.db2.gz	YSDNQSVBESGYHH-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
COc1cc(-c2ccc(CCC(=O)[O-])cc2)ccc1CC#N	ZINC001244189329	803234535	/nfs/dbraw/zinc/23/45/35/803234535.db2.gz	JKUGZXHSGDKCKB-UHFFFAOYSA-N	-1	0	295.338	3.445	20	30		CGEDRM
Cc1nc(-c2cc(F)c([O-])c(Cl)c2)ccc1C#N	ZINC001244501387	803406978	/nfs/dbraw/zinc/40/69/78/803406978.db2.gz	TVCSSFZTXDAUFS-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(-c2cc(C#N)cc(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001244946469	803586563	/nfs/dbraw/zinc/58/65/63/803586563.db2.gz	GSSYMJUQUHPKNL-UHFFFAOYSA-N	-1	0	276.295	3.412	20	30		CGEDRM
Cc1cc(-c2ccc(C#N)cc2C#N)cc(C)c1C(=O)[O-]	ZINC001244946744	803587306	/nfs/dbraw/zinc/58/73/06/803587306.db2.gz	MPKWLGNDHIPWOW-UHFFFAOYSA-N	-1	0	276.295	3.412	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245318689	803699507	/nfs/dbraw/zinc/69/95/07/803699507.db2.gz	PEMMTGYLRWHIJB-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
N#Cc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001211960672	814962109	/nfs/dbraw/zinc/96/21/09/814962109.db2.gz	HSLGSBVMUYAUDD-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
Cc1cc(-c2cc([O-])c(F)c(F)c2F)ncc1C#N	ZINC001245637107	803873783	/nfs/dbraw/zinc/87/37/83/803873783.db2.gz	UISTXHFNEXMKKM-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1nc(-c2cc(Cl)c([O-])cc2F)ccc1C#N	ZINC001245668947	803897916	/nfs/dbraw/zinc/89/79/16/803897916.db2.gz	DGPJECBCNDSYKO-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1cc(Cl)c([O-])cc1F	ZINC001245669854	803898030	/nfs/dbraw/zinc/89/80/30/803898030.db2.gz	OGCLFTSDGUMTOA-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(N)c(Cl)c1	ZINC001212108423	814977137	/nfs/dbraw/zinc/97/71/37/814977137.db2.gz	DIYCNCXAJNPECD-UHFFFAOYSA-N	-1	0	265.725	3.305	20	30		CGEDRM
Cc1ccc(-c2c(F)ccc([O-])c2Cl)nc1C#N	ZINC001245826065	803981511	/nfs/dbraw/zinc/98/15/11/803981511.db2.gz	AHFUYOXBGSCUKB-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
CC(C)C1(C(=O)Nc2cc(C#N)c(F)cc2[O-])CCC1	ZINC001142652427	804748915	/nfs/dbraw/zinc/74/89/15/804748915.db2.gz	JKKBCTVUGLUQRD-UHFFFAOYSA-N	-1	0	276.311	3.168	20	30		CGEDRM
C[C@H](C#N)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1	ZINC001248015073	804870555	/nfs/dbraw/zinc/87/05/55/804870555.db2.gz	MFRHXPZPRYSESG-ZCFIWIBFSA-N	-1	0	288.357	3.262	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248548312	804948562	/nfs/dbraw/zinc/94/85/62/804948562.db2.gz	AKRWSRDNILJFSJ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC001144640307	805018953	/nfs/dbraw/zinc/01/89/53/805018953.db2.gz	QOFMTMAPTGKPEK-CYBMUJFWSA-N	-1	0	291.391	3.375	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c(O)c1	ZINC001148428474	805182103	/nfs/dbraw/zinc/18/21/03/805182103.db2.gz	WIQXXHJGUJUWBS-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C#Cc1cc(NC(=S)[N-]c2ccccc2SC)ccn1	ZINC001249688208	805213825	/nfs/dbraw/zinc/21/38/25/805213825.db2.gz	LRMYDKOZVQKWMK-UHFFFAOYSA-N	-1	0	299.424	3.016	20	30		CGEDRM
C=CCN(C)C(=S)[N-]c1ccccc1SC	ZINC001249696739	805217000	/nfs/dbraw/zinc/21/70/00/805217000.db2.gz	HDLGZFKQRYKXTH-UHFFFAOYSA-N	-1	0	252.408	3.223	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249965088	805332874	/nfs/dbraw/zinc/33/28/74/805332874.db2.gz	UOZWJPDQBIAMDU-UHFFFAOYSA-N	-1	0	293.248	3.466	20	30		CGEDRM
Cc1ccnc(F)c1[N-]c1onc(C(C)(C)C)c1C#N	ZINC001212556097	815067193	/nfs/dbraw/zinc/06/71/93/815067193.db2.gz	WJYJWSGLPXFJNP-UHFFFAOYSA-N	-1	0	274.299	3.430	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3ccncc3s2)c1	ZINC001152996257	805377456	/nfs/dbraw/zinc/37/74/56/805377456.db2.gz	XXOLKILPDAWFLG-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
Cc1c(Cc2ccccc2C#N)cccc1C(=O)[O-]	ZINC001250047666	805387391	/nfs/dbraw/zinc/38/73/91/805387391.db2.gz	QYHHBVCVFVSWAL-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
Cc1c(Cc2cccc(C#N)c2)cccc1C(=O)[O-]	ZINC001250050881	805390479	/nfs/dbraw/zinc/39/04/79/805390479.db2.gz	MHHBRGOJKNRFQP-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1CC(=O)c1ccc(C#N)cc1	ZINC001250207976	805490296	/nfs/dbraw/zinc/49/02/96/805490296.db2.gz	FCYNNQSNLPGUMA-UHFFFAOYSA-N	-1	0	297.285	3.129	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2cc([O-])c(F)c(F)c2F)cc1	ZINC001250208964	805491288	/nfs/dbraw/zinc/49/12/88/805491288.db2.gz	SJLZBUJZEXAUFI-UHFFFAOYSA-N	-1	0	291.228	3.107	20	30		CGEDRM
CCCCCCCCCC[C@@H](C)NCS(=O)(=O)[O-]	ZINC001257546269	807194959	/nfs/dbraw/zinc/19/49/59/807194959.db2.gz	FQEIGUGRUUBRJB-CYBMUJFWSA-N	-1	0	279.446	3.341	20	30		CGEDRM
C[Si](C)(C)C#Cc1ccc(NCc2cc(=O)[n-]o2)cc1	ZINC001169484953	807651325	/nfs/dbraw/zinc/65/13/25/807651325.db2.gz	DAGMZHWVTJFXPK-UHFFFAOYSA-N	-1	0	286.407	3.221	20	30		CGEDRM
Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccc(C(F)F)o1	ZINC001263615727	807977728	/nfs/dbraw/zinc/97/77/28/807977728.db2.gz	DPYAXOMVEDNQAZ-LURJTMIESA-N	-1	0	299.664	3.094	20	30		CGEDRM
CCCCCCCC[C@H](CCC)NCS(=O)(=O)[O-]	ZINC001173310499	808606570	/nfs/dbraw/zinc/60/65/70/808606570.db2.gz	WEWDCBKPSCCADU-ZDUSSCGKSA-N	-1	0	279.446	3.341	20	30		CGEDRM
COCc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001174093594	808860521	/nfs/dbraw/zinc/86/05/21/808860521.db2.gz	UDAZSIADADXYET-UHFFFAOYSA-N	-1	0	260.318	3.215	20	30		CGEDRM
N#Cc1ccsc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174494222	809042422	/nfs/dbraw/zinc/04/24/22/809042422.db2.gz	BDJAUSMRZMFYBS-SNAWJCMRSA-N	-1	0	270.313	3.461	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(F)c(C#N)c1	ZINC001174676932	809127190	/nfs/dbraw/zinc/12/71/90/809127190.db2.gz	CYHAKYXLAJIUSZ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2OC)c(C#N)c1	ZINC001174678101	809127934	/nfs/dbraw/zinc/12/79/34/809127934.db2.gz	WCZNTNYFVNNEKK-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174953633	809213140	/nfs/dbraw/zinc/21/31/40/809213140.db2.gz	JFEXMQKIVLQFQV-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174954497	809214605	/nfs/dbraw/zinc/21/46/05/809214605.db2.gz	MLCDKYJZAHAENG-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
CN(C)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001174962097	809218374	/nfs/dbraw/zinc/21/83/74/809218374.db2.gz	DFRGMUIVXSJKCR-UHFFFAOYSA-N	-1	0	259.334	3.135	20	30		CGEDRM
COc1cc(Nc2scc([O-])c2C#N)cc(OC)c1	ZINC001175105437	809273881	/nfs/dbraw/zinc/27/38/81/809273881.db2.gz	BEMWIBNJPXCLBS-UHFFFAOYSA-N	-1	0	276.317	3.086	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(F)cc(F)cc1F	ZINC001175147503	809288577	/nfs/dbraw/zinc/28/85/77/809288577.db2.gz	POWUHPWUTBEDKC-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
N#Cc1c(F)cc(Nc2cccc(C(=O)[O-])c2)cc1F	ZINC001175335088	809360163	/nfs/dbraw/zinc/36/01/63/809360163.db2.gz	SQEIVKUWDMTNGV-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cn1ncc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc21	ZINC001175423414	809400652	/nfs/dbraw/zinc/40/06/52/809400652.db2.gz	WHUUQEKUNHCGAV-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)cc(C#N)c1	ZINC001175683260	809503291	/nfs/dbraw/zinc/50/32/91/809503291.db2.gz	GJZIYUQFBFWYRX-UHFFFAOYSA-N	-1	0	259.265	3.080	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2cc(F)cc(C#N)c2)c1	ZINC001175684547	809503761	/nfs/dbraw/zinc/50/37/61/809503761.db2.gz	IQTDNEKTABAOBY-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)cc2F)cc(C(=O)[O-])c1	ZINC001213592586	815308229	/nfs/dbraw/zinc/30/82/29/815308229.db2.gz	KZZNDWMVYPOWDR-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccsc1Nc1csc(C(=O)[O-])c1	ZINC001176435829	809696498	/nfs/dbraw/zinc/69/64/98/809696498.db2.gz	FMIYXYGWTWXDKA-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001176672896	809741074	/nfs/dbraw/zinc/74/10/74/809741074.db2.gz	AGRLGNUNRWAXID-UHFFFAOYSA-N	-1	0	289.216	3.296	20	30		CGEDRM
COc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2)cc1OC	ZINC001176712373	809746959	/nfs/dbraw/zinc/74/69/59/809746959.db2.gz	UFNCGKNMYTVRKC-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
CC1(C)C(C(=O)Nc2cc(C#N)c(F)cc2[O-])C1(C)C	ZINC001179694343	809938007	/nfs/dbraw/zinc/93/80/07/809938007.db2.gz	DODKRJCKCBHXLH-UHFFFAOYSA-N	-1	0	276.311	3.024	20	30		CGEDRM
COc1cc(C)c(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1C	ZINC001184244416	810185238	/nfs/dbraw/zinc/18/52/38/810185238.db2.gz	QMRZCEOWQSSBGY-UHFFFAOYSA-N	-1	0	298.362	3.300	20	30		CGEDRM
Cc1csc(NC(=O)CCC(=O)C2=CC=C[CH]2)c1	ZINC001184241605	810185241	/nfs/dbraw/zinc/18/52/41/810185241.db2.gz	WKWYLHGUBCVRDD-UHFFFAOYSA-N	-1	0	260.338	3.045	20	30		CGEDRM
Cc1ccc(Nc2scc([O-])c2C#N)c([N+](=O)[O-])c1	ZINC001214167947	815376245	/nfs/dbraw/zinc/37/62/45/815376245.db2.gz	ZVTNQMYYSNSIQZ-UHFFFAOYSA-N	-1	0	275.289	3.286	20	30		CGEDRM
Cc1cccc([O-])c1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC001188638394	810497245	/nfs/dbraw/zinc/49/72/45/810497245.db2.gz	MGDCGUMUMIYYOX-UHFFFAOYSA-N	-1	0	298.367	3.375	20	30		CGEDRM
N#Cc1ccnc(Nc2cc(F)c([O-])c(Cl)c2)c1	ZINC001214479888	815415380	/nfs/dbraw/zinc/41/53/80/815415380.db2.gz	IKSRDTBPRBDXJV-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
C#Cc1ccccc1NC(=S)Nc1ccc(C(=O)[O-])cc1	ZINC001197112606	811399968	/nfs/dbraw/zinc/39/99/68/811399968.db2.gz	SLNRGGDODKRWEJ-UHFFFAOYSA-N	-1	0	296.351	3.175	20	30		CGEDRM
C#Cc1cccnc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214736060	815446555	/nfs/dbraw/zinc/44/65/55/815446555.db2.gz	LRQNDJMAHJDRKO-UHFFFAOYSA-N	-1	0	290.681	3.297	20	30		CGEDRM
COc1ccc(Nc2ccc(F)c(F)c2[O-])cc1C#N	ZINC001215004744	815475719	/nfs/dbraw/zinc/47/57/19/815475719.db2.gz	YXMJLYDUYPUFDL-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1c(Cl)cccc1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215113525	815484781	/nfs/dbraw/zinc/48/47/81/815484781.db2.gz	DBRZZWMAETUNCT-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2ccc([O-])c(F)c2F)c1	ZINC001202786991	812173627	/nfs/dbraw/zinc/17/36/27/812173627.db2.gz	IMUSAKWHTLRUBU-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203286811	812293643	/nfs/dbraw/zinc/29/36/43/812293643.db2.gz	RNNCQJJNMULLBL-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001203333969	812313493	/nfs/dbraw/zinc/31/34/93/812313493.db2.gz	ODLJZQBEJJEELE-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
O=C([O-])c1c(F)ccc(-c2cc(/C=N/O)ccc2F)c1F	ZINC001205107465	812869698	/nfs/dbraw/zinc/86/96/98/812869698.db2.gz	MHFZJHGVZAMAQH-NGYBGAFCSA-N	-1	0	295.216	3.277	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1F	ZINC001206038723	813176904	/nfs/dbraw/zinc/17/69/04/813176904.db2.gz	NZPYJAILPYOOGB-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
N#Cc1c(F)cc(-c2csc(C(=O)[O-])c2)cc1F	ZINC001206278209	813268467	/nfs/dbraw/zinc/26/84/67/813268467.db2.gz	COYXYSXHQOAVLK-UHFFFAOYSA-N	-1	0	265.240	3.263	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cn1	ZINC001209887321	814188194	/nfs/dbraw/zinc/18/81/94/814188194.db2.gz	YMSQSSWMMUVCMZ-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(OC)c(C(=O)[O-])c1	ZINC001209902196	814194509	/nfs/dbraw/zinc/19/45/09/814194509.db2.gz	HQZOUEDLGWUHMB-UHFFFAOYSA-N	-1	0	297.314	3.050	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210400165	814445339	/nfs/dbraw/zinc/44/53/39/814445339.db2.gz	DFJWZZXXSAJTMH-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210502292	814493474	/nfs/dbraw/zinc/49/34/74/814493474.db2.gz	MSQQTUJQLOUFHY-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
Cc1nsc([N-]c2ccc(F)cc2[N+](=O)[O-])c1C#N	ZINC001210950057	814688417	/nfs/dbraw/zinc/68/84/17/814688417.db2.gz	QOHAYCJZCGYDGH-UHFFFAOYSA-N	-1	0	278.268	3.114	20	30		CGEDRM
Cc1ccc(Nc2ccccc2C(=O)[O-])cc1C#N	ZINC001210967629	814695489	/nfs/dbraw/zinc/69/54/89/814695489.db2.gz	NNVIYZHYPCMFGQ-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
COc1c(Nc2ccc(C#N)c(F)c2)cccc1C(=O)[O-]	ZINC001211037568	814715352	/nfs/dbraw/zinc/71/53/52/814715352.db2.gz	NADRUPWMFDNBEU-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(-c2cccc([O-])c2Cl)c(C#N)c1	ZINC001242801018	823137093	/nfs/dbraw/zinc/13/70/93/823137093.db2.gz	REJANWNAPBMAAD-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(F)c2[O-])cc([N+](=O)[O-])c1	ZINC001211334816	814880746	/nfs/dbraw/zinc/88/07/46/814880746.db2.gz	WHZJWERYBKEAIK-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)ccn2)cc(C)c1C(=O)[O-]	ZINC001216307754	815774649	/nfs/dbraw/zinc/77/46/49/815774649.db2.gz	JFAQYDRFCZZFSL-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#CCc1ncc(-c2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC001242853377	823152762	/nfs/dbraw/zinc/15/27/62/823152762.db2.gz	NCMQYIKLYAHDIH-UHFFFAOYSA-N	-1	0	280.114	3.222	20	30		CGEDRM
COc1cnc(F)c([N-]c2onc(C(C)(C)C)c2C#N)c1	ZINC001216407849	815815673	/nfs/dbraw/zinc/81/56/73/815815673.db2.gz	OZWQAXXKXHKZCK-UHFFFAOYSA-N	-1	0	290.298	3.130	20	30		CGEDRM
Cc1coc(Nc2cccc(C(=O)[O-])c2C)c1C#N	ZINC001216659883	815887489	/nfs/dbraw/zinc/88/74/89/815887489.db2.gz	XNXNBFKWOHILFO-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
C#CCOc1ccc(Nc2cccc(C(=O)[O-])c2C)cc1	ZINC001216661503	815889019	/nfs/dbraw/zinc/88/90/19/815889019.db2.gz	KMBOUBJRXYQDRO-UHFFFAOYSA-N	-1	0	281.311	3.449	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3cc(F)cc(F)c3[O-])n2)c1	ZINC001216785499	815896300	/nfs/dbraw/zinc/89/63/00/815896300.db2.gz	MMVIDPFMEFKGLI-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3ccc(F)c(F)c3[O-])n2)c1	ZINC001216929900	815901847	/nfs/dbraw/zinc/90/18/47/815901847.db2.gz	INVSSUULYPXPQO-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3ccc(F)c(F)c3)no2)c1[O-]	ZINC001216979502	815904455	/nfs/dbraw/zinc/90/44/55/815904455.db2.gz	AJGRUJLPIJZCPE-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
Cc1cc(-c2ccccc2C(=O)[O-])cc(F)c1C#N	ZINC001242880150	823162882	/nfs/dbraw/zinc/16/28/82/823162882.db2.gz	VQYGLGUURQHPPB-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc2[nH]cc(C#N)c2c1	ZINC001242922325	823172518	/nfs/dbraw/zinc/17/25/18/823172518.db2.gz	HSUCGKMYYGBNSY-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(F)c(C#N)c1F	ZINC001242923485	823173616	/nfs/dbraw/zinc/17/36/16/823173616.db2.gz	ASDZQNIPFDDQTH-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1ncc(-c2ccccc2C=N[O-])cc1Cl	ZINC001242933730	823178614	/nfs/dbraw/zinc/17/86/14/823178614.db2.gz	BZHLBWNBLBCYFP-UHFFFAOYSA-N	-1	0	262.696	3.219	20	30		CGEDRM
Cc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)nc1C#N	ZINC001222663020	816494052	/nfs/dbraw/zinc/49/40/52/816494052.db2.gz	VVNXZGNPRHRQIL-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
C=CC[C@@H](OCc1ccc(S(=O)(=O)[O-])cc1)C(C)C	ZINC001223745397	816674435	/nfs/dbraw/zinc/67/44/35/816674435.db2.gz	BRAXUEZZUOVEFG-CQSZACIVSA-N	-1	0	284.377	3.051	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ncccc1F	ZINC001223889408	816697452	/nfs/dbraw/zinc/69/74/52/816697452.db2.gz	FCTCHGAYFSDPHD-OGWOSMHVSA-N	-1	0	296.248	3.413	20	30		CGEDRM
CCCCCCC[C@H](CCC)OCCS(=O)(=O)[O-]	ZINC001224571885	816828207	/nfs/dbraw/zinc/82/82/07/816828207.db2.gz	PQRAJDIYBRTELQ-ZDUSSCGKSA-N	-1	0	280.430	3.420	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@@H]2CCc3c2cccc3C)[nH]1	ZINC001225467494	817060977	/nfs/dbraw/zinc/06/09/77/817060977.db2.gz	RNZWCDPKUUETTJ-MRXNPFEDSA-N	-1	0	280.327	3.342	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@H]2CCc3c2cccc3C)[nH]1	ZINC001225467493	817061611	/nfs/dbraw/zinc/06/16/11/817061611.db2.gz	RNZWCDPKUUETTJ-INIZCTEOSA-N	-1	0	280.327	3.342	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(Cl)cc(=O)[n-]2)O1	ZINC001225562854	817093299	/nfs/dbraw/zinc/09/32/99/817093299.db2.gz	MWGXZGILTHPZCR-LKFCYVNXSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C#C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001225620113	817115386	/nfs/dbraw/zinc/11/53/86/817115386.db2.gz	MVZCMACAFUMLFJ-CYBMUJFWSA-N	-1	0	269.256	3.054	20	30		CGEDRM
C#C[C@@H](Oc1c(F)c(F)c([O-])c(F)c1F)c1ccncc1	ZINC001225886155	817206843	/nfs/dbraw/zinc/20/68/43/817206843.db2.gz	SVLLPXKQUVZKSV-MRVPVSSYSA-N	-1	0	297.207	3.097	20	30		CGEDRM
CC#C[C@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225886371	817207058	/nfs/dbraw/zinc/20/70/58/817207058.db2.gz	XNBYELVNUOUKAK-LURJTMIESA-N	-1	0	262.202	3.129	20	30		CGEDRM
CC(C)CC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226007967	817246802	/nfs/dbraw/zinc/24/68/02/817246802.db2.gz	BZKUWXDZYWPPTA-VIFPVBQESA-N	-1	0	252.289	3.001	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCC=CCCC1	ZINC001226009011	817247838	/nfs/dbraw/zinc/24/78/38/817247838.db2.gz	PVAPTRCCBABGIK-NSHDSACASA-N	-1	0	262.284	3.066	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(C)C	ZINC001226067674	817263830	/nfs/dbraw/zinc/26/38/30/817263830.db2.gz	JXEXRUDIAFZQHK-SNVBAGLBSA-N	-1	0	288.269	3.491	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccc(F)c(F)c2)c1C#N	ZINC001226222783	817301831	/nfs/dbraw/zinc/30/18/31/817301831.db2.gz	HFQRYERBYWCFJY-SECBINFHSA-N	-1	0	290.269	3.386	20	30		CGEDRM
C[C@H](Oc1nc(C2CC2)ccc1C#N)C1=CC=C[CH]1	ZINC001226262980	817314739	/nfs/dbraw/zinc/31/47/39/817314739.db2.gz	YBJZKULTSCWDJU-NSHDSACASA-N	-1	0	251.309	3.298	20	30		CGEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226557076	817397494	/nfs/dbraw/zinc/39/74/94/817397494.db2.gz	VUOQMIDLSOILSI-MRVPVSSYSA-N	-1	0	279.727	3.117	20	30		CGEDRM
C=CCC[C@H](CC)Oc1n[n-]c(=O)cc1Br	ZINC001226850684	817483210	/nfs/dbraw/zinc/48/32/10/817483210.db2.gz	VWDJJEKRCJEXBZ-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228387951	817895632	/nfs/dbraw/zinc/89/56/32/817895632.db2.gz	SIIRZTUCABFGNB-SECBINFHSA-N	-1	0	256.733	3.349	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])c(C)c2)cc(F)c1C#N	ZINC001243218938	823298064	/nfs/dbraw/zinc/29/80/64/823298064.db2.gz	WTKHVXVPOOIZDW-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231227718	818061746	/nfs/dbraw/zinc/06/17/46/818061746.db2.gz	LLGVTDROWGGHSX-VIFPVBQESA-N	-1	0	296.279	3.332	20	30		CGEDRM
Cc1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1C#N	ZINC001243322673	823346987	/nfs/dbraw/zinc/34/69/87/823346987.db2.gz	KPRAWFFEISDITC-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CCc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)cn1	ZINC001243325836	823348992	/nfs/dbraw/zinc/34/89/92/823348992.db2.gz	SPWVDAQFYBAGEO-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530982	818876010	/nfs/dbraw/zinc/87/60/10/818876010.db2.gz	QCMLDFCJTSZRTR-QMTHXVAHSA-N	-1	0	283.331	3.165	20	30		CGEDRM
C=C[C@@H](C)Oc1[n-]c2sccc2c(=O)c1C(=O)OCC	ZINC001234599841	818888668	/nfs/dbraw/zinc/88/86/68/818888668.db2.gz	VKXFZWPCLVBGIP-MRVPVSSYSA-N	-1	0	293.344	3.132	20	30		CGEDRM
[O-]N=Cc1ccccc1OC(C(F)(F)F)C(F)(F)F	ZINC001234822127	818927234	/nfs/dbraw/zinc/92/72/34/818927234.db2.gz	KUAXQHNPMCDWIV-UHFFFAOYSA-N	-1	0	287.159	3.367	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235168636	819021491	/nfs/dbraw/zinc/02/14/91/819021491.db2.gz	GROTXRMICKGBMR-WEVVVXLNSA-N	-1	0	278.311	3.221	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2)cc(F)c1C#N	ZINC001236063621	819296164	/nfs/dbraw/zinc/29/61/64/819296164.db2.gz	GLNINSJPLIKWGX-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#CCc1cccc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236143819	819343985	/nfs/dbraw/zinc/34/39/85/819343985.db2.gz	MSZSNVNREDWHSQ-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#CC1CCN(Cc2cc(Cl)c(Cl)cc2O)CC1	ZINC001236793663	819598220	/nfs/dbraw/zinc/59/82/20/819598220.db2.gz	NFXOPKLHPFRYDP-UHFFFAOYSA-N	-1	0	285.174	3.435	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(C(=O)[O-])c(F)c2F)c1F	ZINC001243514931	823427491	/nfs/dbraw/zinc/42/74/91/823427491.db2.gz	PQLMTTFCDZIMCW-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
[O-]c1c(Cl)cc(F)cc1C[NH+]1CCC(S)CC1	ZINC001237799148	819844467	/nfs/dbraw/zinc/84/44/67/819844467.db2.gz	OGUHTDMWJTVOMC-UHFFFAOYSA-N	-1	0	275.776	3.079	20	30		CGEDRM
Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])nc(C#N)n1	ZINC001243606393	823464774	/nfs/dbraw/zinc/46/47/74/823464774.db2.gz	JGSXWIUEEITYGN-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cc(F)c(C(=O)[O-])c(F)c3)cnc12	ZINC001239363300	820288549	/nfs/dbraw/zinc/28/85/49/820288549.db2.gz	QLWIEHAOPYUEGG-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
COc1ccc(F)c(F)c1-c1ccccc1C=N[O-]	ZINC001240438251	821057147	/nfs/dbraw/zinc/05/71/47/821057147.db2.gz	LRDRYPONXKAARB-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ncc1C#N	ZINC001240545358	821132669	/nfs/dbraw/zinc/13/26/69/821132669.db2.gz	AIWKTCVANVZEPK-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(OCCC#N)cc1	ZINC001240737180	821289123	/nfs/dbraw/zinc/28/91/23/821289123.db2.gz	SDVVVXNOLXWMMI-UHFFFAOYSA-N	-1	0	297.310	3.353	20	30		CGEDRM
N#Cc1nc(-c2ccc(C(=O)[O-])s2)ccc1C(F)(F)F	ZINC001240843269	821363616	/nfs/dbraw/zinc/36/36/16/821363616.db2.gz	QVNFUEWKYIBEHZ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(C(=O)[O-])s3)c2)CC1	ZINC001240846756	821367465	/nfs/dbraw/zinc/36/74/65/821367465.db2.gz	UUDZGHUEVMTGSE-UHFFFAOYSA-N	-1	0	270.313	3.063	20	30		CGEDRM
COc1nc(C)c(-c2cc(C(=O)[O-])ccc2C)c(C)c1C#N	ZINC001241001179	821479378	/nfs/dbraw/zinc/47/93/78/821479378.db2.gz	UKFMISQKGCSHST-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccccc1CC#N	ZINC001241002361	821481162	/nfs/dbraw/zinc/48/11/62/821481162.db2.gz	YOVTVFOJHYPUKV-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cc(C(=O)[O-])ccc1C	ZINC001241005691	821484138	/nfs/dbraw/zinc/48/41/38/821484138.db2.gz	PCJPHCLNSVKSIX-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)nc(C)c1C#N	ZINC001241186076	821623733	/nfs/dbraw/zinc/62/37/33/821623733.db2.gz	XYBFBOGXLDWHQF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001241246246	821667865	/nfs/dbraw/zinc/66/78/65/821667865.db2.gz	YCWHDBWDFUARTE-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241248154	821669909	/nfs/dbraw/zinc/66/99/09/821669909.db2.gz	YRMQHDSASMCDGC-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241345955	821750022	/nfs/dbraw/zinc/75/00/22/821750022.db2.gz	VJAKWOLOZQXWIQ-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c(F)cncc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241349597	821753297	/nfs/dbraw/zinc/75/32/97/821753297.db2.gz	LNBIUDVBRXTRHO-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1c(C#N)c(-c2cncc(C(=O)[O-])c2)nc2ccccc12	ZINC001241800422	822150087	/nfs/dbraw/zinc/15/00/87/822150087.db2.gz	TVPIPWAVQXTRDM-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C[C@@H](C#N)c1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241802133	822151303	/nfs/dbraw/zinc/15/13/03/822151303.db2.gz	CZEZQKIFCBXKSB-JTQLQIEISA-N	-1	0	252.273	3.074	20	30		CGEDRM
Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)nc(C)c1C#N	ZINC001241821426	822162970	/nfs/dbraw/zinc/16/29/70/822162970.db2.gz	QVWUSOCKULVHSU-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1cnccc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242158372	822898943	/nfs/dbraw/zinc/89/89/43/822898943.db2.gz	VMPMZZSZSBZPBV-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccccc1C=NO	ZINC001242209235	822910659	/nfs/dbraw/zinc/91/06/59/822910659.db2.gz	KDQIXYCPARRJPT-UHFFFAOYSA-N	-1	0	273.263	3.307	20	30		CGEDRM
COc1cc(-c2ccc(F)cc2[O-])cc(F)c1C#N	ZINC001242219341	822915502	/nfs/dbraw/zinc/91/55/02/822915502.db2.gz	DXXPGPYXTWCORN-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
CCOC(=O)c1cc(-c2ccc(F)cc2[O-])ccc1C#N	ZINC001242218987	822915583	/nfs/dbraw/zinc/91/55/83/822915583.db2.gz	GPDSHMJAFRKKON-UHFFFAOYSA-N	-1	0	285.274	3.247	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC001353067915	937057031	/nfs/dbraw/zinc/05/70/31/937057031.db2.gz	JIWWMOZCNSNXPW-LBPRGKRZSA-N	-1	0	294.326	3.271	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(F)c([O-])c(F)c2)cc1F	ZINC001244093528	928136405	/nfs/dbraw/zinc/13/64/05/928136405.db2.gz	GOBYYUAYTJYJQH-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cccc(C(C)C)c1	ZINC001362011453	937230009	/nfs/dbraw/zinc/23/00/09/937230009.db2.gz	UJZJVRITSTWJAL-UHFFFAOYSA-N	-1	0	295.342	3.343	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C/C=C/c2ccc(F)cc2)c1	ZINC001454683439	937410502	/nfs/dbraw/zinc/41/05/02/937410502.db2.gz	PTPJTVYNDWRQJJ-NSCUHMNNSA-N	-1	0	296.301	3.211	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973856	932062239	/nfs/dbraw/zinc/06/22/39/932062239.db2.gz	OEXKZUJWROGJIV-SNVBAGLBSA-N	-1	0	267.281	3.130	20	30		CGEDRM
C=C[C@H](C)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O	ZINC001229192847	932113788	/nfs/dbraw/zinc/11/37/88/932113788.db2.gz	VTMVSPBFIFOCSD-JTQLQIEISA-N	-1	0	294.306	3.121	20	30		CGEDRM
C=C[C@@H](CC)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229355732	932138922	/nfs/dbraw/zinc/13/89/22/932138922.db2.gz	KTLZKNJUGXICME-NSHDSACASA-N	-1	0	292.356	3.430	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231051351	932666024	/nfs/dbraw/zinc/66/60/24/932666024.db2.gz	YHCPMHWHLVLEGS-APPZFPTMSA-N	-1	0	296.157	3.445	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc2c(c1)CCC2	ZINC001329666109	935238477	/nfs/dbraw/zinc/23/84/77/935238477.db2.gz	MWPVZMOFFXDLBZ-YVMONPNESA-N	-1	0	290.322	3.311	20	30		CGEDRM
C=CCN(CC=C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC001540323276	938130230	/nfs/dbraw/zinc/13/02/30/938130230.db2.gz	UCHLAYZZDOELKA-UHFFFAOYSA-N	-1	0	285.265	3.225	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](Oc1ccccc1)c1ccccc1	ZINC001557326190	938209338	/nfs/dbraw/zinc/20/93/38/938209338.db2.gz	NCYHETVIJZYFPV-KRWDZBQOSA-N	-1	0	297.354	3.431	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21	ZINC001602718767	971377279	/nfs/dbraw/zinc/37/72/79/971377279.db2.gz	VTFWLYGHUCQWGI-UHFFFAOYSA-N	-1	0	299.370	3.432	20	30		CGEDRM
C=CCCC[C@H](C(=O)N[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001602719259	971383674	/nfs/dbraw/zinc/38/36/74/971383674.db2.gz	ZMHWWNIECVMLGH-LSDHHAIUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#C[C@@H](C(=O)CCCCC(=O)[O-])c1nccc2ccccc21	ZINC001594601035	956130531	/nfs/dbraw/zinc/13/05/31/956130531.db2.gz	IZEZRURPWYCYPO-AWEZNQCLSA-N	-1	0	296.326	3.056	20	30		CGEDRM
N#Cc1ccc(OCCSc2ccc(C(=O)[O-])cc2)cc1	ZINC000036968521	957249348	/nfs/dbraw/zinc/24/93/48/957249348.db2.gz	SYQJAAXBLLWLEQ-UHFFFAOYSA-N	-1	0	299.351	3.428	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000118609399	958464998	/nfs/dbraw/zinc/46/49/98/958464998.db2.gz	HKJWXBKUBCNFCW-OLZOCXBDSA-N	-1	0	269.385	3.059	20	30		CGEDRM
Cc1oc(CNc2c(F)cc(C#N)cc2F)cc1C(=O)[O-]	ZINC000126927591	958604067	/nfs/dbraw/zinc/60/40/67/958604067.db2.gz	UUXPLGQFWMFPGD-UHFFFAOYSA-N	-1	0	292.241	3.048	20	30		CGEDRM
N#Cc1ccc(Cl)cc1OCc1ccoc1C(=O)[O-]	ZINC000128915756	958684362	/nfs/dbraw/zinc/68/43/62/958684362.db2.gz	IEEWDHOHDJYSGM-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
COc1cc(/C=C\C(=O)[O-])ccc1OCCC(C)(C)C#N	ZINC000213591559	959723687	/nfs/dbraw/zinc/72/36/87/959723687.db2.gz	MFCUJBBIDLWZFJ-ALCCZGGFSA-N	-1	0	289.331	3.112	20	30		CGEDRM
CC(C)(C#N)CCCN1CCc2ccc(C(=O)[O-])cc21	ZINC000228538766	960024018	/nfs/dbraw/zinc/02/40/18/960024018.db2.gz	HYXRSJJLCQZEMM-UHFFFAOYSA-N	-1	0	272.348	3.077	20	30		CGEDRM
CC(C)(C#N)CCCCOc1ccc(C(=O)[O-])cc1	ZINC000232519884	960280538	/nfs/dbraw/zinc/28/05/38/960280538.db2.gz	QRTSSQTXPNWYEK-UHFFFAOYSA-N	-1	0	261.321	3.484	20	30		CGEDRM
CCCCCCCCCCC(=O)N1CC(C(=O)[O-])C1	ZINC001589645347	960505789	/nfs/dbraw/zinc/50/57/89/960505789.db2.gz	YCQFQDXSASCAEY-UHFFFAOYSA-N	-1	0	269.385	3.060	20	30		CGEDRM
C=C(C)CCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1	ZINC001602760516	960549725	/nfs/dbraw/zinc/54/97/25/960549725.db2.gz	AARSNQUVPPKSGM-UHFFFAOYSA-N	-1	0	280.349	3.014	20	30		CGEDRM
C=CCOc1c(Cl)cc(C(=O)[O-])cc1Br	ZINC001573378154	962251620	/nfs/dbraw/zinc/25/16/20/962251620.db2.gz	GLLDEWSLCMMZJU-UHFFFAOYSA-N	-1	0	291.528	3.366	20	30		CGEDRM
CCCCCCCCC/C=C\C(=O)N1CC(C(=O)[O-])C1	ZINC001573840789	962283669	/nfs/dbraw/zinc/28/36/69/962283669.db2.gz	KTHOCFGGJPJHTP-KHPPLWFESA-N	-1	0	281.396	3.226	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C=C(CCC)CCC)C(=O)[O-]	ZINC001573321730	962761743	/nfs/dbraw/zinc/76/17/43/962761743.db2.gz	QWERWUFWDUEYMJ-CYBMUJFWSA-N	-1	0	267.369	3.049	20	30		CGEDRM
C=CCCOCCCCC(=O)Nc1ccccc1C(=O)[O-]	ZINC001573328871	962811483	/nfs/dbraw/zinc/81/14/83/962811483.db2.gz	QKTOMZBWHROKBK-UHFFFAOYSA-N	-1	0	291.347	3.086	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](C2CCCCC2)C1	ZINC001573332028	962823081	/nfs/dbraw/zinc/82/30/81/962823081.db2.gz	GVNWMWVEDHOZAJ-HNNXBMFYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC001588605241	962905247	/nfs/dbraw/zinc/90/52/47/962905247.db2.gz	DZYLTCQVBKHJLF-MRXNPFEDSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-]	ZINC001573346871	962944324	/nfs/dbraw/zinc/94/43/24/962944324.db2.gz	HHTNMUFYCKXDBP-BLLLJJGKSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=CC[C@H]1CC[C@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1	ZINC001573352766	962992874	/nfs/dbraw/zinc/99/28/74/962992874.db2.gz	JWCLKJIUGYYPII-JSGCOSHPSA-N	-1	0	299.374	3.278	20	30		CGEDRM
C=CCCO[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	ZINC001586065560	963062318	/nfs/dbraw/zinc/06/23/18/963062318.db2.gz	DRWZSBQABXZYPR-QLFBSQMISA-N	-1	0	283.412	3.088	20	30		CGEDRM
C#CC[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC001588428597	963266832	/nfs/dbraw/zinc/26/68/32/963266832.db2.gz	UKHQKEDVOJQDAX-CYBMUJFWSA-N	-1	0	292.306	3.119	20	30		CGEDRM
C#CC[C@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)C	ZINC001588428611	963270645	/nfs/dbraw/zinc/27/06/45/963270645.db2.gz	UWINCNCIIRLDJA-ZDUSSCGKSA-N	-1	0	294.734	3.243	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O	ZINC001588529588	963273910	/nfs/dbraw/zinc/27/39/10/963273910.db2.gz	AGLGECQYVQDWAC-UHFFFAOYSA-N	-1	0	297.738	3.285	20	30		CGEDRM
C=CCC(C)(C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21	ZINC001588453286	963277417	/nfs/dbraw/zinc/27/74/17/963277417.db2.gz	WTKONURPCIVLSZ-UHFFFAOYSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=C[C@H](OC(=O)CCCCC(=O)[O-])c1ccccc1	ZINC001588452636	963278506	/nfs/dbraw/zinc/27/85/06/963278506.db2.gz	PYJYUXKRBLRCHQ-ZDUSSCGKSA-N	-1	0	262.305	3.102	20	30		CGEDRM
C=C(C)CCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC001588559142	963282394	/nfs/dbraw/zinc/28/23/94/963282394.db2.gz	JEUMFUWLALZKQJ-UHFFFAOYSA-N	-1	0	296.392	3.434	20	30		CGEDRM
C=C(C)CC[C@@H](C)OC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001588559915	963283679	/nfs/dbraw/zinc/28/36/79/963283679.db2.gz	VHUUUAYOJVJKDD-MXMFLMJRSA-N	-1	0	278.304	3.279	20	30		CGEDRM
C=C(C)CN[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F	ZINC001588569819	963285710	/nfs/dbraw/zinc/28/57/10/963285710.db2.gz	LWAGKKDTWAXCAE-LLVKDONJSA-N	-1	0	273.254	3.154	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588605394	963294747	/nfs/dbraw/zinc/29/47/47/963294747.db2.gz	CRTGSBMTEQBIMT-CABCVRRESA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N1CCCc2ccc(C(=O)[O-])cc21	ZINC001588690688	963296431	/nfs/dbraw/zinc/29/64/31/963296431.db2.gz	IEEDDPBCGDGTOW-LBPRGKRZSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=CC(C)(C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588681014	963296811	/nfs/dbraw/zinc/29/68/11/963296811.db2.gz	LGHAYOCPGYYFJC-SOFGYWHQSA-N	-1	0	276.292	3.069	20	30		CGEDRM
C=C1CC(C)(c2noc(-c3ccc(C(=O)[O-])c(F)c3)n2)C1	ZINC001588644302	963298251	/nfs/dbraw/zinc/29/82/51/963298251.db2.gz	OCESUMQPADDYQF-UHFFFAOYSA-N	-1	0	288.278	3.182	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC001588682845	963299830	/nfs/dbraw/zinc/29/98/30/963299830.db2.gz	RAXXMVIXRDAESM-XPTSAGLGSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC001588682201	963300689	/nfs/dbraw/zinc/30/06/89/963300689.db2.gz	IWXWOLJAVFCUGH-HNNXBMFYSA-N	-1	0	280.320	3.186	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC001588673422	963300820	/nfs/dbraw/zinc/30/08/20/963300820.db2.gz	XGCKOAPYZOXMBN-UHFFFAOYSA-N	-1	0	293.388	3.476	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC001588673046	963301195	/nfs/dbraw/zinc/30/11/95/963301195.db2.gz	HHKOQSWZDUKQIX-MRXNPFEDSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C[C@H](Sc1nc2cc(C)ccc2s1)C(=O)[O-]	ZINC001588714498	963304489	/nfs/dbraw/zinc/30/44/89/963304489.db2.gz	HYVNZAJCHDPUHK-VIFPVBQESA-N	-1	0	265.359	3.336	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC001588690815	963304919	/nfs/dbraw/zinc/30/49/19/963304919.db2.gz	MBVKQINCIARXOG-SECBINFHSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC001588714281	963305042	/nfs/dbraw/zinc/30/50/42/963305042.db2.gz	FACSEFBTTOVNID-VIFPVBQESA-N	-1	0	296.735	3.121	20	30		CGEDRM
C=C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001588712254	963306187	/nfs/dbraw/zinc/30/61/87/963306187.db2.gz	UVGXRAJEXJWLSH-ILXRZTDVSA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=CCC(C)(C)c1noc([C@H]2CC[C@H](C(=O)[O-])CC2)n1	ZINC001588736333	963309673	/nfs/dbraw/zinc/30/96/73/963309673.db2.gz	HQPNMBPNDPFVKM-XYPYZODXSA-N	-1	0	278.352	3.282	20	30		CGEDRM
C=CCC1(C(=O)Nc2cncc(C(=O)[O-])c2)CCCCC1	ZINC001588764433	963311385	/nfs/dbraw/zinc/31/13/85/963311385.db2.gz	ADEASIPAQFVORJ-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C=CC[C@H](CC)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588735704	963311979	/nfs/dbraw/zinc/31/19/79/963311979.db2.gz	IFCGCHUNKSUVBR-CRALRDPISA-N	-1	0	290.319	3.459	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC001588786158	963313882	/nfs/dbraw/zinc/31/38/82/963313882.db2.gz	NBMRZLNDTPCCMQ-AVGNSLFASA-N	-1	0	283.412	3.230	20	30		CGEDRM
C=CCCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588777038	963314189	/nfs/dbraw/zinc/31/41/89/963314189.db2.gz	RXVIPSRNUNNFDW-UHFFFAOYSA-N	-1	0	269.300	3.443	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cc(C)c(CC)s1)C(=O)[O-]	ZINC001588793027	963315726	/nfs/dbraw/zinc/31/57/26/963315726.db2.gz	RJRKCGHPXZUQAL-NSHDSACASA-N	-1	0	295.404	3.158	20	30		CGEDRM
C=CCC1(COC(=O)c2csc(C(=O)[O-])n2)CCCC1	ZINC001588767040	963318238	/nfs/dbraw/zinc/31/82/38/963318238.db2.gz	FXWYRXUCYZDXDX-UHFFFAOYSA-N	-1	0	295.360	3.135	20	30		CGEDRM
C=CCC[C@H](C(=O)O[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001588776889	963318496	/nfs/dbraw/zinc/31/84/96/963318496.db2.gz	MBJGGOFRZULQHO-UONOGXRCSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C[C@@H](Nc1cccc(CC#N)c1)c1ncc(C(=O)[O-])s1	ZINC000315443057	963901870	/nfs/dbraw/zinc/90/18/70/963901870.db2.gz	ZMPGJNMCKMGKEU-SECBINFHSA-N	-1	0	287.344	3.080	20	30		CGEDRM
CC(C)(C#N)CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001589554599	964000826	/nfs/dbraw/zinc/00/08/26/964000826.db2.gz	GJTDCHAENTUKMQ-UHFFFAOYSA-N	-1	0	298.342	3.284	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001589645148	964010237	/nfs/dbraw/zinc/01/02/37/964010237.db2.gz	RNXKFNCHADRWJD-BFHYXJOUSA-N	-1	0	283.412	3.210	20	30		CGEDRM
C#CCCCCCCOC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588441822	964054356	/nfs/dbraw/zinc/05/43/56/964054356.db2.gz	KQKOZIXNMNBHMH-KGLIPLIRSA-N	-1	0	280.364	3.004	20	30		CGEDRM
C#CCCCCCCOc1ccc(C(=O)[O-])cc1C=O	ZINC001588441995	964055072	/nfs/dbraw/zinc/05/50/72/964055072.db2.gz	MHEYCASEWSIULJ-UHFFFAOYSA-N	-1	0	274.316	3.160	20	30		CGEDRM
N#Cc1ccc(SCCOc2ccccc2C(=O)[O-])cc1	ZINC001605612830	973929741	/nfs/dbraw/zinc/92/97/41/973929741.db2.gz	VUGUOKPWQMXNQT-UHFFFAOYSA-N	-1	0	299.351	3.428	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cs1	ZINC001592008436	976677613	/nfs/dbraw/zinc/67/76/13/976677613.db2.gz	KURHXZKSTONSEL-HYXAFXHYSA-N	-1	0	291.328	3.454	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001595704620	982276991	/nfs/dbraw/zinc/27/69/91/982276991.db2.gz	DHYCKUBCPATOGD-GFCCVEGCSA-N	-1	0	294.395	3.439	20	30		CGEDRM
CCCCCCN(O)C(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001595708907	982288117	/nfs/dbraw/zinc/28/81/17/982288117.db2.gz	KTFGKWNVAOUTMU-UHFFFAOYSA-N	-1	0	279.336	3.105	20	30		CGEDRM
CC(C)(C)C[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001589743286	988025125	/nfs/dbraw/zinc/02/51/25/988025125.db2.gz	JPIHIVRWENXKIY-FSKGUYTJSA-N	-1	0	283.755	3.354	20	30		CGEDRM
CCc1ccc(NCc2ccccc2C#N)c(C(=O)[O-])c1	ZINC001597551813	988277225	/nfs/dbraw/zinc/27/72/25/988277225.db2.gz	ONWSVDVHMORCIL-UHFFFAOYSA-N	-1	0	280.327	3.431	20	30		CGEDRM
CCc1cccc(C(=O)[O-])c1NC(=O)CCCCCC#N	ZINC001597574088	988360196	/nfs/dbraw/zinc/36/01/96/988360196.db2.gz	YTSJYUNQBOWCIZ-UHFFFAOYSA-N	-1	0	288.347	3.360	20	30		CGEDRM
COc1cccc(O)c1C=Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001599680528	994974493	/nfs/dbraw/zinc/97/44/93/994974493.db2.gz	WBZFIFSFWWKDQV-UHFFFAOYSA-N	-1	0	299.326	3.466	20	30		CGEDRM
COc1ccc(C)cc1C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001599534518	997718043	/nfs/dbraw/zinc/71/80/43/997718043.db2.gz	VDXGDSOFYPSYTI-SNAWJCMRSA-N	-1	0	286.283	3.191	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N[C@@H](C#N)C1CCCCC1	ZINC001599376038	998487855	/nfs/dbraw/zinc/48/78/55/998487855.db2.gz	VAYUTOKFYOVHPD-AWEZNQCLSA-N	-1	0	288.347	3.278	20	30		CGEDRM
C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1	ZINC000590552754	346850482	/nfs/dbraw/zinc/85/04/82/346850482.db2.gz	WJAPACCVKRFFCI-UHFFFAOYSA-N	-1	0	298.298	3.133	20	30		CGEDRM
CCC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C(C)(C)C	ZINC000590773484	346874398	/nfs/dbraw/zinc/87/43/98/346874398.db2.gz	CTKZFSKRYPQNAJ-CQSZACIVSA-N	-1	0	274.364	3.208	20	30		CGEDRM
CC(C)(CCC#N)CNc1ncc(C(=O)[O-])cc1Cl	ZINC000592421131	346986086	/nfs/dbraw/zinc/98/60/86/346986086.db2.gz	NHIACXFSWWWIEH-UHFFFAOYSA-N	-1	0	281.743	3.175	20	30		CGEDRM
N#CC(=C([O-])c1cccnc1)c1nc2cc(F)ccc2s1	ZINC000592973762	347022296	/nfs/dbraw/zinc/02/22/96/347022296.db2.gz	KDLGPOWBJYAGQD-NSHDSACASA-N	-1	0	297.314	3.320	20	30		CGEDRM
Cc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1	ZINC000080456503	345675371	/nfs/dbraw/zinc/67/53/71/345675371.db2.gz	VVTRTOFQFBKGTD-LLVKDONJSA-N	-1	0	285.372	3.460	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)ccc1NCC1(C(=O)[O-])CCC1	ZINC000166677782	346186966	/nfs/dbraw/zinc/18/69/66/346186966.db2.gz	FRDIGMMJYOSONL-UHFFFAOYSA-N	-1	0	298.264	3.244	20	30		CGEDRM
CC(C)[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000594540898	347191766	/nfs/dbraw/zinc/19/17/66/347191766.db2.gz	LHZBTAQBTKOMHU-GFCCVEGCSA-N	-1	0	289.379	3.019	20	30		CGEDRM
CC(C)(C)[C@@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)CCO1	ZINC000596178565	347394501	/nfs/dbraw/zinc/39/45/01/347394501.db2.gz	KWBZONYLJGCDPU-WPRPVWTQSA-N	-1	0	299.827	3.096	20	30		CGEDRM
N#CC1(CC(=O)Nc2ccccc2C(=O)[O-])CCCCC1	ZINC000598585152	347666716	/nfs/dbraw/zinc/66/67/16/347666716.db2.gz	UYJUNNMGXBRGKN-UHFFFAOYSA-N	-1	0	286.331	3.187	20	30		CGEDRM
Cc1[n-]n(-c2c(C)cccc2Cl)c(=O)c1CCC#N	ZINC000601943464	347927917	/nfs/dbraw/zinc/92/79/17/347927917.db2.gz	QHZWGSLZCRTRLM-NSHDSACASA-N	-1	0	275.739	3.291	20	30		CGEDRM
CC(C)c1nc(=N[C@H]2CCc3cc(C#N)ccc32)s[n-]1	ZINC000618693892	349145239	/nfs/dbraw/zinc/14/52/39/349145239.db2.gz	SMNQGTXQXOVXDA-ZDUSSCGKSA-N	-1	0	284.388	3.054	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000628490860	350558250	/nfs/dbraw/zinc/55/82/50/350558250.db2.gz	IBOLJVNKFMQQDT-SECBINFHSA-N	-1	0	283.730	3.223	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000630315135	350823504	/nfs/dbraw/zinc/82/35/04/350823504.db2.gz	ZPZSIGJBLOWVNT-UHFFFAOYSA-N	-1	0	293.407	3.130	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)C1CCCCC1	ZINC000048519102	369356917	/nfs/dbraw/zinc/35/69/17/369356917.db2.gz	UTZJOKCMRVGQQY-UHFFFAOYSA-N	-1	0	285.340	3.051	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1F	ZINC000049513378	369405039	/nfs/dbraw/zinc/40/50/39/369405039.db2.gz	PVHMVBCZLPQKTQ-UHFFFAOYSA-N	-1	0	299.367	3.101	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3oc(C)nc32)n1	ZINC000439025552	372972346	/nfs/dbraw/zinc/97/23/46/372972346.db2.gz	SLASAMBXYGKSOK-LLVKDONJSA-N	-1	0	297.339	3.391	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3nc(C)ccc3o2)n1	ZINC000179584596	373891494	/nfs/dbraw/zinc/89/14/94/373891494.db2.gz	DEHQDRXPNRAFGW-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
C=CCSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000487433961	375241367	/nfs/dbraw/zinc/24/13/67/375241367.db2.gz	AVOPPSUQMVKRAQ-ZDUSSCGKSA-N	-1	0	295.367	3.245	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000192889574	375798947	/nfs/dbraw/zinc/79/89/47/375798947.db2.gz	CYQMHYLVKZNNAD-GFCCVEGCSA-N	-1	0	275.348	3.245	20	30		CGEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000342391315	377644831	/nfs/dbraw/zinc/64/48/31/377644831.db2.gz	YTNFQZAADUVHDZ-GFCCVEGCSA-N	-1	0	291.310	3.330	20	30		CGEDRM
N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1ccccn1	ZINC000342437401	377648591	/nfs/dbraw/zinc/64/85/91/377648591.db2.gz	CPLNARHTWNADPD-ZETCQYMHSA-N	-1	0	297.261	3.047	20	30		CGEDRM
NC(=O)c1cccc(N=Cc2c(O)ccc3ccccc32)c1	ZINC000254843327	377715031	/nfs/dbraw/zinc/71/50/31/377715031.db2.gz	LZSTUHLVQSBCKL-UHFFFAOYSA-N	-1	0	290.322	3.395	20	30		CGEDRM
CCCN(CC(=O)[O-])c1c(C#N)cnc2c(C)cc(C)cc21	ZINC000263427003	377935334	/nfs/dbraw/zinc/93/53/34/377935334.db2.gz	RNSAZXRHGBVXFF-UHFFFAOYSA-N	-1	0	297.358	3.024	20	30		CGEDRM
C=CCOCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274680808	378875614	/nfs/dbraw/zinc/87/56/14/378875614.db2.gz	JSOSRWIULOKYLX-UHFFFAOYSA-N	-1	0	287.718	3.106	20	30		CGEDRM
Cc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1F	ZINC000352534659	379846165	/nfs/dbraw/zinc/84/61/65/379846165.db2.gz	YJXKKCIBRBTPNI-UTCJRWHESA-N	-1	0	282.274	3.269	20	30		CGEDRM
C=CCCC[C@@H](C)N=c1[n-]c(C(F)(F)F)ns1	ZINC000398236207	379929245	/nfs/dbraw/zinc/92/92/45/379929245.db2.gz	WQQJUVSVCUWMPB-SSDOTTSWSA-N	-1	0	265.304	3.136	20	30		CGEDRM
C=CCC1(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC1	ZINC000414099673	380189734	/nfs/dbraw/zinc/18/97/34/380189734.db2.gz	UTJWYBZOCJGFLI-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000238201339	542319868	/nfs/dbraw/zinc/31/98/68/542319868.db2.gz	PQXUYXDFKORLRK-LBPRGKRZSA-N	-1	0	293.388	3.149	20	30		CGEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)CC(CC)CC	ZINC000733060686	572502833	/nfs/dbraw/zinc/50/28/33/572502833.db2.gz	XWFXKTKAYPMVKX-UHFFFAOYSA-N	-1	0	291.457	3.229	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1cnc2ccc(C)cc2c1O	ZINC000343006310	393016171	/nfs/dbraw/zinc/01/61/71/393016171.db2.gz	DAAUOVPWFFWTHZ-CYBMUJFWSA-N	-1	0	296.370	3.017	20	30		CGEDRM
C=CC[C@H]1N(C(=O)C[C@@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000668321435	543006578	/nfs/dbraw/zinc/00/65/78/543006578.db2.gz	STELBUYJSXEBDH-CHWSQXEVSA-N	-1	0	281.396	3.081	20	30		CGEDRM
N#Cc1cc(NCCCCCC(=O)[O-])nc2ccccc12	ZINC000068769115	165045590	/nfs/dbraw/zinc/04/55/90/165045590.db2.gz	GYWRXKUIDYCJGQ-UHFFFAOYSA-N	-1	0	283.331	3.163	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)o1	ZINC000345556606	225541236	/nfs/dbraw/zinc/54/12/36/225541236.db2.gz	FWOWUZIWPQRPAA-JTQLQIEISA-N	-1	0	289.360	3.361	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000164584189	261354529	/nfs/dbraw/zinc/35/45/29/261354529.db2.gz	VLBBVGDTTWHJNS-ZJKHARBCSA-N	-1	0	286.158	3.438	20	30		CGEDRM
C[C@@H]1CCC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000330779737	264035913	/nfs/dbraw/zinc/03/59/13/264035913.db2.gz	MSRCDGBAKMUXCE-MNOVXSKESA-N	-1	0	292.335	3.431	20	30		CGEDRM
C[C@@]1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC=CCC1	ZINC000331322756	264189623	/nfs/dbraw/zinc/18/96/23/264189623.db2.gz	FMSHJOUBHRCDDO-CQSZACIVSA-N	-1	0	276.292	3.104	20	30		CGEDRM
C[C@@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC=CCC1	ZINC000331361880	264209757	/nfs/dbraw/zinc/20/97/57/264209757.db2.gz	ZQATXIBEZCLQKT-CQSZACIVSA-N	-1	0	276.292	3.104	20	30		CGEDRM
Cc1ccc(Cl)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188788316	327759351	/nfs/dbraw/zinc/75/93/51/327759351.db2.gz	RDZKBJCIZSDWSS-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
COCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000193277787	329439390	/nfs/dbraw/zinc/43/93/90/329439390.db2.gz	KXUYRRMHUCXPPC-NSHDSACASA-N	-1	0	296.282	3.057	20	30		CGEDRM
C=CCCC[C@@H](C)NS(=O)(=O)c1sccc1Cl	ZINC000451363273	331025817	/nfs/dbraw/zinc/02/58/17/331025817.db2.gz	AIADJNNTJUVIIG-SECBINFHSA-N	-1	0	293.841	3.425	20	30		CGEDRM
Cc1ccc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)nc1	ZINC000738660890	572385698	/nfs/dbraw/zinc/38/56/98/572385698.db2.gz	XTAHNFXGQKECFM-AWEZNQCLSA-N	-1	0	284.340	3.180	20	30		CGEDRM
N#Cc1ccc([C@H](Nc2ccc3[nH]ccc3c2)C(=O)[O-])cc1	ZINC000739109788	572401838	/nfs/dbraw/zinc/40/18/38/572401838.db2.gz	NDJZYZRVAWTZCQ-INIZCTEOSA-N	-1	0	291.310	3.277	20	30		CGEDRM
O=C([O-])CC[C@H](/N=C/c1cccc(O)c1O)c1ccccc1	ZINC000739659869	572422059	/nfs/dbraw/zinc/42/20/59/572422059.db2.gz	PXYLQCRVJRSKJP-BGARDKSCSA-N	-1	0	299.326	3.123	20	30		CGEDRM
N#C[C@@H]([N-]C(=O)C(F)(F)F)c1c(Cl)cccc1Cl	ZINC000733259412	572546244	/nfs/dbraw/zinc/54/62/44/572546244.db2.gz	BFVGPBLAFCJCEC-SSDOTTSWSA-N	-1	0	297.063	3.237	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1F	ZINC000736108985	572768005	/nfs/dbraw/zinc/76/80/05/572768005.db2.gz	ZAVVEEOPOPFMDT-UHFFFAOYSA-N	-1	0	289.306	3.305	20	30		CGEDRM
C=CCCCN(C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC000736097282	572769029	/nfs/dbraw/zinc/76/90/29/572769029.db2.gz	CUMIRMHGHDHCHU-UHFFFAOYSA-N	-1	0	292.379	3.012	20	30		CGEDRM
CCCNN=C(C)c1cc(Br)c(F)cc1[O-]	ZINC000746567477	572881248	/nfs/dbraw/zinc/88/12/48/572881248.db2.gz	ZKRAUJPYLOXVME-UHFFFAOYSA-N	-1	0	289.148	3.017	20	30		CGEDRM
Cc1ccc(NN=Cc2cccc(OCCC(=O)[O-])c2)cc1	ZINC000746677118	572891486	/nfs/dbraw/zinc/89/14/86/572891486.db2.gz	QSEPJCNZMNCPMN-UHFFFAOYSA-N	-1	0	298.342	3.295	20	30		CGEDRM
COc1ccc(C#N)cc1N=Cc1ccccc1O	ZINC000747362140	572926810	/nfs/dbraw/zinc/92/68/10/572926810.db2.gz	OQUPURBYJJGJMR-UHFFFAOYSA-N	-1	0	252.273	3.023	20	30		CGEDRM
O=C1c2cccc(F)c2C/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000748146482	572963399	/nfs/dbraw/zinc/96/33/99/572963399.db2.gz	IUOOFRAYVPDYRW-POHAHGRESA-N	-1	0	299.257	3.262	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000749000750	572988077	/nfs/dbraw/zinc/98/80/77/572988077.db2.gz	ZZMCJXVGOVPMTR-ARJAWSKDSA-N	-1	0	289.337	3.276	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccsc1	ZINC000749099572	572989059	/nfs/dbraw/zinc/98/90/59/572989059.db2.gz	QCCYSGMVUQLNTF-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749613294	573023707	/nfs/dbraw/zinc/02/37/07/573023707.db2.gz	XDMAZYXNCNOJFM-UHFFFAOYSA-N	-1	0	296.286	3.008	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccc(Cl)c(Cl)c2)[nH]1	ZINC000749809137	573041027	/nfs/dbraw/zinc/04/10/27/573041027.db2.gz	AYDPIIUWRWFTDS-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
CCC[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736965967	600615679	/nfs/dbraw/zinc/61/56/79/600615679.db2.gz	VVPHIKRZNOCFEB-XHDPSFHLSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccccc2C(F)(F)F)c1=O	ZINC000899346122	620645936	/nfs/dbraw/zinc/64/59/36/620645936.db2.gz	BYQBPTGBWKOUCO-SNVBAGLBSA-N	-1	0	280.249	3.067	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1OCc1ccc(C(=O)[O-])o1	ZINC000088153325	601096175	/nfs/dbraw/zinc/09/61/75/601096175.db2.gz	NKBNQURCRBQPCG-UHFFFAOYSA-N	-1	0	271.272	3.045	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000163120511	601096491	/nfs/dbraw/zinc/09/64/91/601096491.db2.gz	ABTFCGIVWIMTTD-NSHDSACASA-N	-1	0	290.363	3.135	20	30		CGEDRM
C=C(C)[C@H]1CC=C(COC(=O)CCCN(C)C(=O)[O-])CC1	ZINC000825642046	601193443	/nfs/dbraw/zinc/19/34/43/601193443.db2.gz	DXOKBUMFBXKPLU-AWEZNQCLSA-N	-1	0	295.379	3.222	20	30		CGEDRM
O=C([O-])c1ccc(NC(=O)C#Cc2ccccc2)cc1Cl	ZINC000048807032	601286961	/nfs/dbraw/zinc/28/69/61/601286961.db2.gz	KJKWQSXEVXKSTR-UHFFFAOYSA-N	-1	0	299.713	3.028	20	30		CGEDRM
N#Cc1cccc([C@H](Nc2ccc(Cl)cc2)C(=O)[O-])c1	ZINC000833074709	601298036	/nfs/dbraw/zinc/29/80/36/601298036.db2.gz	DTEWTRWBPYOSDU-AWEZNQCLSA-N	-1	0	286.718	3.449	20	30		CGEDRM
CSc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000832774139	601330794	/nfs/dbraw/zinc/33/07/94/601330794.db2.gz	AOKAFBOHWLXOLO-WEVVVXLNSA-N	-1	0	287.340	3.331	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)o1	ZINC000752237212	601510012	/nfs/dbraw/zinc/51/00/12/601510012.db2.gz	COVKDSMMJZOSBY-UITAMQMPSA-N	-1	0	270.284	3.436	20	30		CGEDRM
CC(C)Oc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000827038772	601791916	/nfs/dbraw/zinc/79/19/16/601791916.db2.gz	SGRSMJXRSJJFDH-BAQGIRSFSA-N	-1	0	299.326	3.396	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@H](C(=O)[O-])c1ccccc1	ZINC000825664483	602283498	/nfs/dbraw/zinc/28/34/98/602283498.db2.gz	BANMGQVLEOFJOK-AWEZNQCLSA-N	-1	0	274.316	3.124	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000826821777	604021408	/nfs/dbraw/zinc/02/14/08/604021408.db2.gz	YTRUKHIGFUKBRY-KGLIPLIRSA-N	-1	0	296.411	3.090	20	30		CGEDRM
O=C(/C=C\c1ccnn1C1CCC1)c1cc(F)ccc1[O-]	ZINC000899362260	620669407	/nfs/dbraw/zinc/66/94/07/620669407.db2.gz	OPDSGWVHGIMXKB-ALCCZGGFSA-N	-1	0	286.306	3.349	20	30		CGEDRM
C=CCCOC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823496698	604232759	/nfs/dbraw/zinc/23/27/59/604232759.db2.gz	OKQNRIXBLDKBFS-UHFFFAOYSA-N	-1	0	299.710	3.171	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000833079091	604627990	/nfs/dbraw/zinc/62/79/90/604627990.db2.gz	SUAVCCFVQZQRFW-AATRIKPKSA-N	-1	0	283.308	3.214	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1	ZINC000833310830	604632217	/nfs/dbraw/zinc/63/22/17/604632217.db2.gz	VZAXUOVQYOHJOI-KMKOMSMNSA-N	-1	0	297.266	3.189	20	30		CGEDRM
CC1(C)CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763367804	604667653	/nfs/dbraw/zinc/66/76/53/604667653.db2.gz	HOLDHTKIVTUCQF-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C[C@H](CCc1ccccc1)CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763372413	604669304	/nfs/dbraw/zinc/66/93/04/604669304.db2.gz	XRCGOANSTVQIED-CYBMUJFWSA-N	-1	0	297.358	3.446	20	30		CGEDRM
CCc1nc(N=NC(C)c2ccccc2)sc1C(=O)[O-]	ZINC000833674566	604923969	/nfs/dbraw/zinc/92/39/69/604923969.db2.gz	DIQJPLOOQRPMLS-UHFFFAOYSA-N	-1	0	289.360	3.240	20	30		CGEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1cccc(Cl)c1	ZINC000833406583	605037992	/nfs/dbraw/zinc/03/79/92/605037992.db2.gz	NWVYGVNAKVMEAC-JTQLQIEISA-N	-1	0	291.738	3.233	20	30		CGEDRM
C#CCN(CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833364910	605129778	/nfs/dbraw/zinc/12/97/78/605129778.db2.gz	UXGLEGIWHIWEJP-GFCCVEGCSA-N	-1	0	286.158	3.074	20	30		CGEDRM
CC(C)(C#N)CCN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000167282291	605191210	/nfs/dbraw/zinc/19/12/10/605191210.db2.gz	UEKNPENDRBQAQV-CYBMUJFWSA-N	-1	0	272.348	3.005	20	30		CGEDRM
CCN(Cc1ccccc1NCc1ccc(C#N)o1)C(=O)[O-]	ZINC000827187140	605245719	/nfs/dbraw/zinc/24/57/19/605245719.db2.gz	QZVPLQLXGHYEPC-UHFFFAOYSA-N	-1	0	299.330	3.263	20	30		CGEDRM
CN(Cc1cccc(NCc2cccc(C#N)c2)c1)C(=O)[O-]	ZINC000828382288	605245734	/nfs/dbraw/zinc/24/57/34/605245734.db2.gz	CVYBHICWUAWRDC-UHFFFAOYSA-N	-1	0	295.342	3.280	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1	ZINC000833371336	605249940	/nfs/dbraw/zinc/24/99/40/605249940.db2.gz	NUFVIZLOSZJWOS-GFCCVEGCSA-N	-1	0	296.326	3.078	20	30		CGEDRM
N#Cc1c(Cl)cccc1S[C@H](C(=O)[O-])C1CC1	ZINC000833761369	605264252	/nfs/dbraw/zinc/26/42/52/605264252.db2.gz	XFCTYYKUUQAWEP-NSHDSACASA-N	-1	0	267.737	3.167	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccccc2C(=O)[O-])c1	ZINC000833368332	605370988	/nfs/dbraw/zinc/37/09/88/605370988.db2.gz	LMUHXGRUNDIYJE-UHFFFAOYSA-N	-1	0	265.312	3.003	20	30		CGEDRM
N#Cc1cc(CSCc2cccc(NC(=O)[O-])c2)ccn1	ZINC000833970279	606010633	/nfs/dbraw/zinc/01/06/33/606010633.db2.gz	LEINDCXLEKHDKA-UHFFFAOYSA-N	-1	0	299.355	3.477	20	30		CGEDRM
O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1CCC1	ZINC000049501587	617611221	/nfs/dbraw/zinc/61/12/21/617611221.db2.gz	RFKVRXSJGRDQQU-UHFFFAOYSA-N	-1	0	291.372	3.060	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000806559055	617721340	/nfs/dbraw/zinc/72/13/40/617721340.db2.gz	SWRYNDAQAHWEKS-HJWRWDBZSA-N	-1	0	282.295	3.290	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]OC1CCC1)c1ccccc1	ZINC000812787575	617854134	/nfs/dbraw/zinc/85/41/34/617854134.db2.gz	YHOKPBJSHAKRFG-OAHLLOKOSA-N	-1	0	259.349	3.337	20	30		CGEDRM
O=C(/C=C\c1c(F)cccc1F)c1ccc(O)cc1[O-]	ZINC000255670080	618774645	/nfs/dbraw/zinc/77/46/45/618774645.db2.gz	QQYFCHYZWMOWIB-SREVYHEPSA-N	-1	0	276.238	3.272	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2c(F)cccc2Cl)c1	ZINC000179732025	618800492	/nfs/dbraw/zinc/80/04/92/618800492.db2.gz	CEWZLCMOJGRRNJ-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1nc2ccccc2o1	ZINC000892552812	618861466	/nfs/dbraw/zinc/86/14/66/618861466.db2.gz	DIOMPDUKXLUJCX-SNVBAGLBSA-N	-1	0	293.282	3.183	20	30		CGEDRM
Cc1ccc(C#N)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000255925929	618885570	/nfs/dbraw/zinc/88/55/70/618885570.db2.gz	OWBNNLFABDTYAR-UHFFFAOYSA-N	-1	0	281.271	3.231	20	30		CGEDRM
CCCCCCCC(=O)NCCc1ccccc1C(=O)[O-]	ZINC000112414722	618961822	/nfs/dbraw/zinc/96/18/22/618961822.db2.gz	IFTKVIUOAFPHKP-UHFFFAOYSA-N	-1	0	291.391	3.404	20	30		CGEDRM
C=CCCCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000314381330	619226243	/nfs/dbraw/zinc/22/62/43/619226243.db2.gz	AXCPSRYXPSOOBY-UHFFFAOYSA-N	-1	0	292.335	3.167	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NOCc1ccccc1	ZINC000814791420	619423661	/nfs/dbraw/zinc/42/36/61/619423661.db2.gz	GVPNVRWTIXARJJ-WCQYABFASA-N	-1	0	261.321	3.080	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000909463865	619749231	/nfs/dbraw/zinc/74/92/31/619749231.db2.gz	KOQJTNMHXBOOFJ-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C#CCCCCCCNc1cccc(OCC(=O)[O-])c1	ZINC000901577738	620944409	/nfs/dbraw/zinc/94/44/09/620944409.db2.gz	DPXNLZYKRREAEZ-UHFFFAOYSA-N	-1	0	275.348	3.146	20	30		CGEDRM
C=C(Cl)C[C@H](N[C@H](C)c1cc2cnccc2o1)C(=O)[O-]	ZINC000901937726	621069384	/nfs/dbraw/zinc/06/93/84/621069384.db2.gz	DGINJIOSBVIMPM-KOLCDFICSA-N	-1	0	294.738	3.074	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000907635965	622304810	/nfs/dbraw/zinc/30/48/10/622304810.db2.gz	VSQRBGRHETVEEW-QWHCGFSZSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1ccccc1C1CCC1)C(=O)[O-]	ZINC000907662862	622306058	/nfs/dbraw/zinc/30/60/58/622306058.db2.gz	YBGFZBWZQPCYRQ-OAHLLOKOSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1	ZINC000910298620	622472312	/nfs/dbraw/zinc/47/23/12/622472312.db2.gz	MOSAWJGUFZPOOW-UONOGXRCSA-N	-1	0	285.343	3.170	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000910366685	622478765	/nfs/dbraw/zinc/47/87/65/622478765.db2.gz	HGJZZHPEZOWRHI-YVEFUNNKSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1sccc1C(C)C)C(=O)[O-]	ZINC000910915139	622508618	/nfs/dbraw/zinc/50/86/18/622508618.db2.gz	VICRCBLWHQIMQR-GFCCVEGCSA-N	-1	0	295.404	3.411	20	30		CGEDRM
Cc1cccn2c(/C=C/C(=O)c3ccccc3[O-])cnc12	ZINC000156596074	622825617	/nfs/dbraw/zinc/82/56/17/622825617.db2.gz	MTSSUTDFLXILBB-CMDGGOBGSA-N	-1	0	278.311	3.244	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])ccc1O	ZINC000156714223	622841084	/nfs/dbraw/zinc/84/10/84/622841084.db2.gz	FGJFCPZMJKRCQX-QHHAFSJGSA-N	-1	0	288.274	3.142	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C2(C3CCCCC3)CC2)c1	ZINC000913667017	623554740	/nfs/dbraw/zinc/55/47/40/623554740.db2.gz	SRMSBVQPFXRRSC-UHFFFAOYSA-N	-1	0	284.359	3.329	20	30		CGEDRM
Cc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000916255409	624126448	/nfs/dbraw/zinc/12/64/48/624126448.db2.gz	YYAMMDRRXUQSNA-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
CC(C)=CCC[C@@H](C)CCN=Nc1nnc(C)c(=O)[n-]1	ZINC000916282764	624138680	/nfs/dbraw/zinc/13/86/80/624138680.db2.gz	OMKSOORITJIAFE-LLVKDONJSA-N	-1	0	277.372	3.056	20	30		CGEDRM
CCCCCCCC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC000917567695	624286079	/nfs/dbraw/zinc/28/60/79/624286079.db2.gz	LSSCZKHMIADWSM-UHFFFAOYSA-N	-1	0	265.361	3.034	20	30		CGEDRM
O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1[O-]	ZINC000033374040	624306613	/nfs/dbraw/zinc/30/66/13/624306613.db2.gz	FMSBHAKDHXMYSB-KTKRTIGZSA-N	-1	0	269.256	3.197	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(O)cc2)c1[O-]	ZINC000920945156	624555533	/nfs/dbraw/zinc/55/55/33/624555533.db2.gz	QWABFXXRTOQIBP-UHFFFAOYSA-N	-1	0	292.678	3.410	20	30		CGEDRM
CC(C(=O)Nc1cc(C#N)ccc1[O-])=C1CCCC1	ZINC000179729074	624680003	/nfs/dbraw/zinc/68/00/03/624680003.db2.gz	IVTSEZJHJILPNS-UHFFFAOYSA-N	-1	0	256.305	3.093	20	30		CGEDRM
CCc1ccsc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179736728	624681382	/nfs/dbraw/zinc/68/13/82/624681382.db2.gz	JRIWKSVKAMWNLD-UHFFFAOYSA-N	-1	0	272.329	3.140	20	30		CGEDRM
O=C1c2ccc(O)cc2CC/C1=C\c1ccc(F)nc1	ZINC000186407340	625804665	/nfs/dbraw/zinc/80/46/65/625804665.db2.gz	LZZXVWUBCHSGQJ-KPKJPENVSA-N	-1	0	269.275	3.139	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000923080048	626128789	/nfs/dbraw/zinc/12/87/89/626128789.db2.gz	ITGDVUKSOMBKTQ-NSHDSACASA-N	-1	0	288.347	3.143	20	30		CGEDRM
CCc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)o1	ZINC000752158177	626420545	/nfs/dbraw/zinc/42/05/45/626420545.db2.gz	WMRFRQQUKSCJMR-UHFFFAOYSA-N	-1	0	272.304	3.376	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cc(F)cc(F)c2)c1	ZINC000755473453	626625179	/nfs/dbraw/zinc/62/51/79/626625179.db2.gz	VHVFYXFCKYRWOJ-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000755587388	626630121	/nfs/dbraw/zinc/63/01/21/626630121.db2.gz	UFQVPYBYIWPYAM-KTKRTIGZSA-N	-1	0	291.306	3.081	20	30		CGEDRM
O=C(/C=C/c1ccc2c(c1)CCO2)c1cc(F)ccc1[O-]	ZINC000757467316	626780754	/nfs/dbraw/zinc/78/07/54/626780754.db2.gz	DHKXMJOOOPCFOV-DAFODLJHSA-N	-1	0	284.286	3.362	20	30		CGEDRM
CC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCOCC1	ZINC000758068546	626825851	/nfs/dbraw/zinc/82/58/51/626825851.db2.gz	HRBCYXCIWUTBLX-UHFFFAOYSA-N	-1	0	296.754	3.253	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000759091830	626874116	/nfs/dbraw/zinc/87/41/16/626874116.db2.gz	VOFYJKHYGMRFES-ALCCZGGFSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CCCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCC1	ZINC000759716896	626917415	/nfs/dbraw/zinc/91/74/15/626917415.db2.gz	FXLFIYWDILCCLC-UHFFFAOYSA-N	-1	0	258.321	3.173	20	30		CGEDRM
Cn1cnc2cc(/C=C\C(=O)c3ccc([O-])c(F)c3)ccc21	ZINC000761200243	627024529	/nfs/dbraw/zinc/02/45/29/627024529.db2.gz	OCIDQEWTKVISJR-UTCJRWHESA-N	-1	0	296.301	3.314	20	30		CGEDRM
CCCCCCCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000762227505	627102307	/nfs/dbraw/zinc/10/23/07/627102307.db2.gz	GWGWWSYZSWNYDG-XJKSGUPXSA-N	-1	0	283.412	3.497	20	30		CGEDRM
Cc1ccc2[nH]cc(CN=Nc3ccc(C(=O)[O-])cn3)c2c1	ZINC000763369697	627154372	/nfs/dbraw/zinc/15/43/72/627154372.db2.gz	IQDBPFKERCRHOW-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cscn1	ZINC000767892629	627441485	/nfs/dbraw/zinc/44/14/85/627441485.db2.gz	FNUZYQGXPDWXOT-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@@H](c3ccccc3)C2(C)C)n1	ZINC000768487698	627482694	/nfs/dbraw/zinc/48/26/94/627482694.db2.gz	ZFNWSHUMOGBPNU-ZDUSSCGKSA-N	-1	0	296.374	3.472	20	30		CGEDRM
COc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1F	ZINC000769717800	627574264	/nfs/dbraw/zinc/57/42/64/627574264.db2.gz	BWPXGWPLIOGYGX-UHFFFAOYSA-N	-1	0	290.250	3.199	20	30		CGEDRM
C=CCCCCNC(=O)c1cccc(Cl)c1[O-]	ZINC000771555045	627717086	/nfs/dbraw/zinc/71/70/86/627717086.db2.gz	CGNVDNIUFVVAEB-UHFFFAOYSA-N	-1	0	253.729	3.132	20	30		CGEDRM
CCCCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC	ZINC000775240758	628074550	/nfs/dbraw/zinc/07/45/50/628074550.db2.gz	SHQPCVOTRUUGEX-CYBMUJFWSA-N	-1	0	291.457	3.229	20	30		CGEDRM
Cc1ccc(F)cc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000777917816	628310949	/nfs/dbraw/zinc/31/09/49/628310949.db2.gz	FYDMLKHAPFYHAV-CLTKARDFSA-N	-1	0	272.275	3.441	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1ccccc1[O-]	ZINC000777917822	628311232	/nfs/dbraw/zinc/31/12/32/628311232.db2.gz	GCPMVBRCJXFTPK-SOFGYWHQSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C[C@@H](C)C1	ZINC000780605636	628504212	/nfs/dbraw/zinc/50/42/12/628504212.db2.gz	WSKONTUQVIZSTN-PJXYFTJBSA-N	-1	0	272.348	3.275	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc3cnccc3c2)c1	ZINC000782111868	628616611	/nfs/dbraw/zinc/61/66/11/628616611.db2.gz	UICIZZGKLRDZGG-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000782340425	628640480	/nfs/dbraw/zinc/64/04/80/628640480.db2.gz	CPPJWVAHOQIMBX-SOFGYWHQSA-N	-1	0	257.264	3.131	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cncs1	ZINC000787169598	628998830	/nfs/dbraw/zinc/99/88/30/628998830.db2.gz	OZMBIWOIWPXWFY-OWOJBTEDSA-N	-1	0	267.256	3.023	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cscn2)c1Cl	ZINC000787185164	629000488	/nfs/dbraw/zinc/00/04/88/629000488.db2.gz	XEHMHMCEFUABIB-PLNGDYQASA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1ccc2nc(/C=C\C(=O)c3cc(F)ccc3[O-])cn2c1	ZINC000789144192	629107641	/nfs/dbraw/zinc/10/76/41/629107641.db2.gz	SXYGYAYDGTYXBY-XQRVVYSFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
O=C(/C=C\c1ccnn1-c1ccccc1)c1ccccc1[O-]	ZINC000790601015	629219482	/nfs/dbraw/zinc/21/94/82/629219482.db2.gz	QJRYOMOTBYHZHT-KHPPLWFESA-N	-1	0	290.322	3.474	20	30		CGEDRM
O=C(/C=C/c1ccnn1-c1ccccc1)c1ccccc1[O-]	ZINC000790601017	629219902	/nfs/dbraw/zinc/21/99/02/629219902.db2.gz	QJRYOMOTBYHZHT-ZHACJKMWSA-N	-1	0	290.322	3.474	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@H]1c1ccc(C)cc1)C(=O)[O-]	ZINC000793055629	629405957	/nfs/dbraw/zinc/40/59/57/629405957.db2.gz	AXFRFSSESZJIQG-KBPBESRZSA-N	-1	0	274.364	3.071	20	30		CGEDRM
CCCCOc1ccc(C(C)=NN[C@H](CC)C(=O)[O-])cc1	ZINC000793057945	629406467	/nfs/dbraw/zinc/40/64/67/629406467.db2.gz	RYNAIHDXQRFVRP-OAHLLOKOSA-N	-1	0	292.379	3.042	20	30		CGEDRM
CC(=NN[C@@H](C)C(C)(C)C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000793115845	629413042	/nfs/dbraw/zinc/41/30/42/629413042.db2.gz	POQSUGGQYONEJY-JTQLQIEISA-N	-1	0	279.340	3.049	20	30		CGEDRM
CC[C@H](C)c1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1	ZINC000863068067	629466933	/nfs/dbraw/zinc/46/69/33/629466933.db2.gz	WNFZOPHJKWXZFH-JTQLQIEISA-N	-1	0	299.378	3.235	20	30		CGEDRM
C#CCCCC(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000863118140	629478391	/nfs/dbraw/zinc/47/83/91/629478391.db2.gz	OPEJSHQCQSCJPF-UHFFFAOYSA-N	-1	0	262.284	3.115	20	30		CGEDRM
CC(C)[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000794525049	629549905	/nfs/dbraw/zinc/54/99/05/629549905.db2.gz	YGOUARWPGIUABN-NSHDSACASA-N	-1	0	275.352	3.394	20	30		CGEDRM
CSCCON=Cc1cc(Cl)c([O-])cc1Cl	ZINC000794574787	629558117	/nfs/dbraw/zinc/55/81/17/629558117.db2.gz	PRFKTYBYFCKZIP-UHFFFAOYSA-N	-1	0	280.176	3.413	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2CCC[C@@H]2CCF)c1	ZINC000794855579	629589532	/nfs/dbraw/zinc/58/95/32/629589532.db2.gz	VIGHPLYTSYBRBI-SNVBAGLBSA-N	-1	0	264.300	3.312	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc([C@@H](C)CC)c1	ZINC000864583278	629871568	/nfs/dbraw/zinc/87/15/68/629871568.db2.gz	PBEPXDUHSYQJRZ-LBPRGKRZSA-N	-1	0	290.363	3.305	20	30		CGEDRM
CC[C@@H]1C[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000797784886	629981740	/nfs/dbraw/zinc/98/17/40/629981740.db2.gz	MQVZZCHYKHJSBQ-VGJDBEPUSA-N	-1	0	268.700	3.171	20	30		CGEDRM
CC(C)(C#N)CCOC(=O)c1cc([S-])ccc1F	ZINC000798724611	630094158	/nfs/dbraw/zinc/09/41/58/630094158.db2.gz	PGIHBMMZPRTUKJ-UHFFFAOYSA-N	-1	0	267.325	3.211	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)c(C)o1	ZINC000799864698	630236012	/nfs/dbraw/zinc/23/60/12/630236012.db2.gz	QJIMVJYLWOMJRU-UHFFFAOYSA-N	-1	0	272.304	3.431	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cn1	ZINC000806559409	630566905	/nfs/dbraw/zinc/56/69/05/630566905.db2.gz	ZPIRYIKANBEURQ-VOTSOKGWSA-N	-1	0	284.315	3.058	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)c2ccccc21	ZINC000807981818	630610822	/nfs/dbraw/zinc/61/08/22/630610822.db2.gz	MXLJCDHLAMLINM-SNVBAGLBSA-N	-1	0	281.315	3.103	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=NNc1ccccc1C(=O)[O-])CC2	ZINC000811635678	631094589	/nfs/dbraw/zinc/09/45/89/631094589.db2.gz	HNXRACSAGJJIRI-UHFFFAOYSA-N	-1	0	291.310	3.019	20	30		CGEDRM
CC(CCc1ccco1)N=Nc1ccccc1C(=O)[O-]	ZINC000812445641	631261575	/nfs/dbraw/zinc/26/15/75/631261575.db2.gz	VOSMGLVKXPGCCB-UHFFFAOYSA-N	-1	0	272.304	3.398	20	30		CGEDRM
Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2)cc1	ZINC000814685996	631622734	/nfs/dbraw/zinc/62/27/34/631622734.db2.gz	SEZZGJQKFQXABK-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
CC(Cc1ccc(O)cc1)N=Nc1ccccc1C(=O)[O-]	ZINC000814768616	631635263	/nfs/dbraw/zinc/63/52/63/631635263.db2.gz	FMFCMGZVPZSQTF-UHFFFAOYSA-N	-1	0	284.315	3.121	20	30		CGEDRM
C[C@H]1C(N=Nc2cc(F)cc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814813073	631647451	/nfs/dbraw/zinc/64/74/51/631647451.db2.gz	HHZZFEOCRCPOOK-RKDXNWHRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C[C@H](NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C)c1ccccc1	ZINC000814815328	631647978	/nfs/dbraw/zinc/64/79/78/631647978.db2.gz	UFXMWEKPTQDSOO-OBJOEFQTSA-N	-1	0	274.364	3.214	20	30		CGEDRM
C[C@@H](NN=C1CC[C@H](C(=O)[O-])C[C@H]1C)c1ccccc1	ZINC000814814991	631648172	/nfs/dbraw/zinc/64/81/72/631648172.db2.gz	IHIJQMJYBAYXKQ-BZPMIXESSA-N	-1	0	274.364	3.214	20	30		CGEDRM
CC(C)CON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814883925	631664037	/nfs/dbraw/zinc/66/40/37/631664037.db2.gz	HVISQCQKJHGONG-MNOVXSKESA-N	-1	0	255.358	3.172	20	30		CGEDRM
Cc1cc(F)ccc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814884931	631665100	/nfs/dbraw/zinc/66/51/00/631665100.db2.gz	FBZBWWPTQZRVED-MNOVXSKESA-N	-1	0	278.327	3.423	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccsc1C	ZINC000814887372	631666051	/nfs/dbraw/zinc/66/60/51/631666051.db2.gz	MMFLMFAXQGJDHA-UHFFFAOYSA-N	-1	0	290.344	3.209	20	30		CGEDRM
CC(=NOC1CCCC1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814894682	631668902	/nfs/dbraw/zinc/66/89/02/631668902.db2.gz	PSODXWPVTJIGBL-GFCCVEGCSA-N	-1	0	291.347	3.222	20	30		CGEDRM
CCC(CC)CNN=C(C)c1csc(C(=O)[O-])c1	ZINC000814906278	631674587	/nfs/dbraw/zinc/67/45/87/631674587.db2.gz	MZXZZXPLYONZPV-UHFFFAOYSA-N	-1	0	268.382	3.196	20	30		CGEDRM
CC(=NNCCC(F)(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000814920275	631683217	/nfs/dbraw/zinc/68/32/17/631683217.db2.gz	HVPIDJXOXJFIMA-SECBINFHSA-N	-1	0	282.306	3.185	20	30		CGEDRM
C[C@@H]1C(=NOC/C=C\Cl)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814933885	631688676	/nfs/dbraw/zinc/68/86/76/631688676.db2.gz	DPELQOMDPBEMEB-QJRCRWHOSA-N	-1	0	273.760	3.268	20	30		CGEDRM
CC[C@H](NN=C1CCCC[C@@H]1C1=CCCCC1)C(=O)[O-]	ZINC000814936849	631690327	/nfs/dbraw/zinc/69/03/27/631690327.db2.gz	LYCXZWVZZCRRIG-KGLIPLIRSA-N	-1	0	278.396	3.486	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc(F)c2ccccc12)C(=O)[O-]	ZINC000814936633	631690754	/nfs/dbraw/zinc/69/07/54/631690754.db2.gz	CPRBEJXDVMGSDU-OAHLLOKOSA-N	-1	0	288.322	3.156	20	30		CGEDRM
C[C@H](NN=C1CC(C(=O)[O-])(c2ccccc2)C1)C(C)(C)C	ZINC000814938084	631692546	/nfs/dbraw/zinc/69/25/46/631692546.db2.gz	VMWQXSHQBJLCOI-WHUIICBVSA-N	-1	0	288.391	3.183	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCC1	ZINC000827828994	633522991	/nfs/dbraw/zinc/52/29/91/633522991.db2.gz	HWAPBIDBFANBFI-UHFFFAOYSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C[C@H]1CCC[C@@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000827829025	633523039	/nfs/dbraw/zinc/52/30/39/633523039.db2.gz	IGTSVOFPKWJLRX-ZUZCIYMTSA-N	-1	0	258.321	3.029	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cscc1Cl	ZINC000870134183	633535140	/nfs/dbraw/zinc/53/51/40/633535140.db2.gz	JBNSVMXCWHKYLT-VIFPVBQESA-N	-1	0	298.795	3.030	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c([O-])c1	ZINC000208861561	633743560	/nfs/dbraw/zinc/74/35/60/633743560.db2.gz	QLVJPXFHAISYKS-TWGQIWQCSA-N	-1	0	299.282	3.205	20	30		CGEDRM
Cc1[n-]n(-c2cc(Cl)ccc2F)c(=O)c1CCC#N	ZINC000871963568	633930411	/nfs/dbraw/zinc/93/04/11/633930411.db2.gz	QNRNFJPICJLJCN-SNVBAGLBSA-N	-1	0	279.702	3.122	20	30		CGEDRM
Cc1c(N=NC2CCOC(C)(C)C2)cccc1C(=O)[O-]	ZINC000872387063	634128394	/nfs/dbraw/zinc/12/83/94/634128394.db2.gz	KGILLEAVTVNMAU-UHFFFAOYSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=NC1CCC(C)(C)CC1	ZINC000872395398	634130204	/nfs/dbraw/zinc/13/02/04/634130204.db2.gz	KVGPRVRSJSVJRJ-VXGBXAGGSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H](C)C(F)(F)F	ZINC000834998250	634305983	/nfs/dbraw/zinc/30/59/83/634305983.db2.gz	DUEJQHWQTPLDHR-JTQLQIEISA-N	-1	0	282.306	3.328	20	30		CGEDRM
CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NOC(C)C	ZINC000834999929	634307800	/nfs/dbraw/zinc/30/78/00/634307800.db2.gz	FQFOJIBZOOELBK-ZDUSSCGKSA-N	-1	0	293.363	3.272	20	30		CGEDRM
CC[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006806	634311443	/nfs/dbraw/zinc/31/14/43/634311443.db2.gz	JQAJAAKSRXTDMM-SNVBAGLBSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)[C@@H](C)C1	ZINC000835006772	634311782	/nfs/dbraw/zinc/31/17/82/634311782.db2.gz	ISZIXMPOGMCMIY-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835008455	634312275	/nfs/dbraw/zinc/31/22/75/634312275.db2.gz	JGLXLULJDKOFKM-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)CC[C@@H]1C	ZINC000835007541	634312686	/nfs/dbraw/zinc/31/26/86/634312686.db2.gz	XJKJCXMWIXFMQU-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
N#C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835008084	634312774	/nfs/dbraw/zinc/31/27/74/634312774.db2.gz	ADYOTNBAWWPFOQ-SECBINFHSA-N	-1	0	275.283	3.006	20	30		CGEDRM
CC(C)(C)[C@H]1CCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010257	634314318	/nfs/dbraw/zinc/31/43/18/634314318.db2.gz	VLLJHCAJUDGYTQ-JTQLQIEISA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CO1	ZINC000843264008	635628600	/nfs/dbraw/zinc/62/86/00/635628600.db2.gz	LWKTYIDOVFNWCL-GFSHTQPESA-N	-1	0	274.147	3.295	20	30		CGEDRM
C=C[C@@H](C)ON=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000844620599	635944147	/nfs/dbraw/zinc/94/41/47/635944147.db2.gz	MKRLEZSKWSPIGR-GFCCVEGCSA-N	-1	0	291.347	3.245	20	30		CGEDRM
CCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845841151	636106223	/nfs/dbraw/zinc/10/62/23/636106223.db2.gz	RKAPABBTROGAQS-LLVKDONJSA-N	-1	0	275.373	3.319	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2F)CCCC1	ZINC000846543480	636197209	/nfs/dbraw/zinc/19/72/09/636197209.db2.gz	KUGNYQQYPQPLCY-LBPRGKRZSA-N	-1	0	277.339	3.260	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1cccc(Cl)c1	ZINC000846549932	636200323	/nfs/dbraw/zinc/20/03/23/636200323.db2.gz	LAOHSABGOGAWIW-QMMMGPOBSA-N	-1	0	275.682	3.054	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)o1	ZINC000129534683	636296299	/nfs/dbraw/zinc/29/62/99/636296299.db2.gz	XBBGSZLWOMKBCL-GQCTYLIASA-N	-1	0	273.244	3.098	20	30		CGEDRM
CC(CCc1ccco1)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415933	636571630	/nfs/dbraw/zinc/57/16/30/636571630.db2.gz	SOZMWNLAILNOAI-UHFFFAOYSA-N	-1	0	286.331	3.327	20	30		CGEDRM
O=C(/C=C\c1ccnn1CC1CC1)c1ccc([O-])c(F)c1	ZINC000849244729	636777202	/nfs/dbraw/zinc/77/72/02/636777202.db2.gz	JDZKXGMXCXJSAZ-XQRVVYSFSA-N	-1	0	286.306	3.034	20	30		CGEDRM
C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056644	636781367	/nfs/dbraw/zinc/78/13/67/636781367.db2.gz	GQDGIRMKNUWAEX-NSHDSACASA-N	-1	0	287.425	3.432	20	30		CGEDRM
C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1cccc(F)c1	ZINC000086055463	636781732	/nfs/dbraw/zinc/78/17/32/636781732.db2.gz	QZEQKBCKANKUDO-JTQLQIEISA-N	-1	0	299.367	3.158	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000851599666	637457645	/nfs/dbraw/zinc/45/76/45/637457645.db2.gz	ABERCZZZWGIAML-UONOGXRCSA-N	-1	0	283.412	3.306	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1	ZINC000887325344	637798178	/nfs/dbraw/zinc/79/81/78/637798178.db2.gz	MTFXEEHOPFYGAC-UHFFFAOYSA-N	-1	0	291.322	3.138	20	30		CGEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853341170	637817002	/nfs/dbraw/zinc/81/70/02/637817002.db2.gz	ORBZARYTCFSYGD-ZDUSSCGKSA-N	-1	0	278.327	3.026	20	30		CGEDRM
Cc1c(N=NC[C@@H]2C[C@H]3C[C@H]3C2)cccc1C(=O)[O-]	ZINC000853370394	637826857	/nfs/dbraw/zinc/82/68/57/637826857.db2.gz	LWKVEQWGFOPYKC-ZSBIGDGJSA-N	-1	0	258.321	3.137	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1cccc(Cl)c1[O-]	ZINC000853380296	637829921	/nfs/dbraw/zinc/82/99/21/637829921.db2.gz	SGSYMNBWBHKQPJ-SNVBAGLBSA-N	-1	0	252.745	3.254	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc(Cl)c1	ZINC000853394977	637834280	/nfs/dbraw/zinc/83/42/80/637834280.db2.gz	GHPKNQCYBQEGRV-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000855438829	638198783	/nfs/dbraw/zinc/19/87/83/638198783.db2.gz	PKJZXKHELQCDAC-NSHDSACASA-N	-1	0	279.767	3.474	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](CC)Oc1ccccc1Cl	ZINC000856032990	638288151	/nfs/dbraw/zinc/28/81/51/638288151.db2.gz	UYPZUSLXKUOZLT-LBPRGKRZSA-N	-1	0	283.755	3.121	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccccc2C)CCC1	ZINC000856033967	638288227	/nfs/dbraw/zinc/28/82/27/638288227.db2.gz	XYVOAYOWLKLRHZ-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OCC1CCC1)c1ccccc1	ZINC000856350685	638351371	/nfs/dbraw/zinc/35/13/71/638351371.db2.gz	MVELWSZSSSROOW-OAHLLOKOSA-N	-1	0	259.349	3.194	20	30		CGEDRM
CC[C@@H]([NH2+]Cc1nc(C)cs1)c1cccc(C#N)c1[O-]	ZINC000924617214	638376940	/nfs/dbraw/zinc/37/69/40/638376940.db2.gz	YELVYHFERZYNPB-CYBMUJFWSA-N	-1	0	287.388	3.270	20	30		CGEDRM
O=C1c2ccc(F)cc2C/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000114992321	638480254	/nfs/dbraw/zinc/48/02/54/638480254.db2.gz	ZOZBPJNBECWCRZ-VZUCSPMQSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CCOc1cc(C=CC(=O)c2sccc2[O-])ccc1O	ZINC000193147741	640435367	/nfs/dbraw/zinc/43/53/67/640435367.db2.gz	ZUTATSPBTNBECE-GQCTYLIASA-N	-1	0	290.340	3.454	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)C1CCC(CCCC)CC1	ZINC000092461746	640737822	/nfs/dbraw/zinc/73/78/22/640737822.db2.gz	FLRKALCOLUASJK-UHFFFAOYSA-N	-1	0	281.396	3.082	20	30		CGEDRM
CCCN(CCC#N)Cc1cc([O-])c(Cl)c(F)c1F	ZINC001250406370	805600111	/nfs/dbraw/zinc/60/01/11/805600111.db2.gz	ADMFICSOHTZYKL-UHFFFAOYSA-N	-1	0	288.725	3.449	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(F)c(C#N)c2)c1	ZINC001250636873	805741529	/nfs/dbraw/zinc/74/15/29/805741529.db2.gz	RBDKBBDLKDRMAT-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(F)c(C#N)c1	ZINC001250637621	805743379	/nfs/dbraw/zinc/74/33/79/805743379.db2.gz	IUZHBFQBVGAIFJ-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccs1	ZINC001250916408	805799317	/nfs/dbraw/zinc/79/93/17/805799317.db2.gz	ZDDWBQHAPBTJFJ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cnn2C(C)(C)C)ccc1C(=O)[O-]	ZINC001211648247	814925528	/nfs/dbraw/zinc/92/55/28/814925528.db2.gz	XTMBWHKFKAFTOL-UHFFFAOYSA-N	-1	0	298.346	3.260	20	30		CGEDRM
CCCCCCCCCc1cn(CCC(=O)[O-])nn1	ZINC001254093422	806339986	/nfs/dbraw/zinc/33/99/86/806339986.db2.gz	BAKSUCWIRRRIOL-UHFFFAOYSA-N	-1	0	267.373	3.046	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC(C)C	ZINC000046928127	798891731	/nfs/dbraw/zinc/89/17/31/798891731.db2.gz	DJQJCXJIXUNOCP-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)s1	ZINC000176407938	799096160	/nfs/dbraw/zinc/09/61/60/799096160.db2.gz	NRAAQISMHJGYQI-GQCTYLIASA-N	-1	0	273.288	3.361	20	30		CGEDRM
C[C@H](Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176406818	799096502	/nfs/dbraw/zinc/09/65/02/799096502.db2.gz	YIXIDKNJLFREDN-GFCCVEGCSA-N	-1	0	280.327	3.081	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC000398071541	799525869	/nfs/dbraw/zinc/52/58/69/799525869.db2.gz	GWXFCUUONUSDFW-XJKSGUPXSA-N	-1	0	296.411	3.018	20	30		CGEDRM
O=C(C=Cc1cccnc1Cl)c1sccc1[O-]	ZINC000588598872	799719964	/nfs/dbraw/zinc/71/99/64/799719964.db2.gz	JAHLRLSZXXRVBC-ARJAWSKDSA-N	-1	0	265.721	3.398	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1O	ZINC000588599235	799720539	/nfs/dbraw/zinc/72/05/39/799720539.db2.gz	TVIGWPOVLXHUHJ-HYXAFXHYSA-N	-1	0	276.313	3.064	20	30		CGEDRM
Cc1cc(C#N)cc(NCc2ccc(F)c(F)c2[O-])c1	ZINC000703417144	799924301	/nfs/dbraw/zinc/92/43/01/799924301.db2.gz	JEBAQQZXTGOOHD-UHFFFAOYSA-N	-1	0	274.270	3.463	20	30		CGEDRM
CCCCCCCNC(=O)c1ccc(C(=O)[O-])s1	ZINC000703748707	799928840	/nfs/dbraw/zinc/92/88/40/799928840.db2.gz	QWMILBGEDCDTBY-UHFFFAOYSA-N	-1	0	269.366	3.147	20	30		CGEDRM
CC(=NNCC1CCOCC1)c1ccc2ccccc2c1O	ZINC001116082253	802297158	/nfs/dbraw/zinc/29/71/58/802297158.db2.gz	FHNCNXLLIJECRP-UHFFFAOYSA-N	-1	0	298.386	3.286	20	30		CGEDRM
N#Cc1cc2cccnc2nc1Nc1ccc(C(=O)[O-])s1	ZINC001174805764	809166677	/nfs/dbraw/zinc/16/66/77/809166677.db2.gz	IKKXORVUMIIRNG-UHFFFAOYSA-N	-1	0	296.311	3.005	20	30		CGEDRM
COc1cc(Nc2scc([O-])c2C#N)cc(F)c1F	ZINC001174581902	809090833	/nfs/dbraw/zinc/09/08/33/809090833.db2.gz	GNQOKHLOIMBRJE-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
CCCc1ncc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001122631775	802877634	/nfs/dbraw/zinc/87/76/34/802877634.db2.gz	JSWPHKNAVYCVBY-SECBINFHSA-N	-1	0	289.335	3.120	20	30		CGEDRM
CCOc1ncc(-c2cc(/C=N/[O-])ccc2F)cc1F	ZINC001243772507	802991632	/nfs/dbraw/zinc/99/16/32/802991632.db2.gz	KIYHUXBJJJBDML-CNHKJKLMSA-N	-1	0	278.258	3.234	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2c([O-])cccc2Cl)n1	ZINC001244038716	803155359	/nfs/dbraw/zinc/15/53/59/803155359.db2.gz	XCPHOLMNZSPYSM-UHFFFAOYSA-N	-1	0	258.708	3.482	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(F)ccc2CC#N)c1	ZINC001244175953	803226224	/nfs/dbraw/zinc/22/62/24/803226224.db2.gz	IGOMNHZDRJWPJX-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(F)cc(C)c2C#N)c1	ZINC001244177223	803226991	/nfs/dbraw/zinc/22/69/91/803226991.db2.gz	XNRPROBRUCLUGW-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1ccnc(-c2cc(F)c([O-])c(Cl)c2)c1C#N	ZINC001244500738	803406614	/nfs/dbraw/zinc/40/66/14/803406614.db2.gz	PQTVPFWGCGHDIS-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cnc(-c2c(F)c([O-])ccc2Cl)c(C#N)c1	ZINC001244537911	803425402	/nfs/dbraw/zinc/42/54/02/803425402.db2.gz	HZQNNQRIOKEEQF-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COC(=O)c1c(F)cc(-c2ccccc2C=N[O-])cc1F	ZINC001244607282	803462811	/nfs/dbraw/zinc/46/28/11/803462811.db2.gz	RVIGZDHALFWWHU-UHFFFAOYSA-N	-1	0	291.253	3.227	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1nc2ncccc2cc1C#N	ZINC001245296964	803693487	/nfs/dbraw/zinc/69/34/87/803693487.db2.gz	LCWPLCFBOLAVKP-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
N#CC1(c2ccc(-c3cc(CC(=O)[O-])ccc3F)nc2)CC1	ZINC001245317511	803699174	/nfs/dbraw/zinc/69/91/74/803699174.db2.gz	RGHALOWLEHPHAG-UHFFFAOYSA-N	-1	0	296.301	3.070	20	30		CGEDRM
Cc1cc(F)cc(-c2cc(CC(=O)[O-])ccc2F)c1C#N	ZINC001245318308	803699696	/nfs/dbraw/zinc/69/96/96/803699696.db2.gz	GEJYBSQTINDVSG-UHFFFAOYSA-N	-1	0	287.265	3.439	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cc(CC(=O)[O-])ccc3F)ccc12	ZINC001245318654	803699715	/nfs/dbraw/zinc/69/97/15/803699715.db2.gz	NQPPHTBBCHXJLR-UHFFFAOYSA-N	-1	0	294.285	3.473	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2Cl)nc(C2CC2)n1	ZINC001245373029	803718033	/nfs/dbraw/zinc/71/80/33/803718033.db2.gz	WJXDZYBZDKMMCQ-UHFFFAOYSA-N	-1	0	299.717	3.244	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2c([O-])cccc2F)n1	ZINC001245654942	803885798	/nfs/dbraw/zinc/88/57/98/803885798.db2.gz	SPWQFIIUWFYMKJ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1cnc(-c2cc(Cl)c([O-])cc2F)c(/C=N/O)c1	ZINC001245669546	803899339	/nfs/dbraw/zinc/89/93/39/803899339.db2.gz	UULFGPFXUHYHSF-UBKPWBPPSA-N	-1	0	280.686	3.363	20	30		CGEDRM
CCc1nc(C#N)cc(-c2cc(Cl)c([O-])cc2F)n1	ZINC001245670080	803899502	/nfs/dbraw/zinc/89/95/02/803899502.db2.gz	NPNMOQOZIUFJBU-UHFFFAOYSA-N	-1	0	277.686	3.076	20	30		CGEDRM
CCC(C)(C)n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245937655	804068875	/nfs/dbraw/zinc/06/88/75/804068875.db2.gz	RMZSGMBWYWGYLT-UHFFFAOYSA-N	-1	0	255.321	3.272	20	30		CGEDRM
Cc1cnc(Nc2ccc(C(=O)[O-])cc2Cl)c(C#N)c1	ZINC001248551068	804950179	/nfs/dbraw/zinc/95/01/79/804950179.db2.gz	GDJAHQBYJRJJKS-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2Cl)cnc1C#N	ZINC001248551876	804951362	/nfs/dbraw/zinc/95/13/62/804951362.db2.gz	XGBRMCZMMCLZSJ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)c([O-])cc1F	ZINC001144302750	804970596	/nfs/dbraw/zinc/97/05/96/804970596.db2.gz	FUDFFXLTJAVHEV-VWYCJHECSA-N	-1	0	288.322	3.168	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cc3cccnc3s2)ccc1O	ZINC001149533756	805237917	/nfs/dbraw/zinc/23/79/17/805237917.db2.gz	JHUMBXPMUSFJBB-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
N#Cc1cccc(Cc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001250050700	805389188	/nfs/dbraw/zinc/38/91/88/805389188.db2.gz	FRSKPBBDPSRPMO-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Cc1ccc(C#N)cc1	ZINC001250051638	805390364	/nfs/dbraw/zinc/39/03/64/805390364.db2.gz	BQYHGVRNTTZSIQ-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#Cc1cccc(-c2nnc(Cc3cccc(F)c3)o2)c1[O-]	ZINC001258576903	807493609	/nfs/dbraw/zinc/49/36/09/807493609.db2.gz	PSZRELATTWMRAJ-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)cc1C	ZINC001260061663	807694810	/nfs/dbraw/zinc/69/48/10/807694810.db2.gz	IJWJHDJMZAFQTA-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CCn1cc(NC2=CC=C[CH]2)c2sc(C#N)cc2c1=O	ZINC001171360422	808035260	/nfs/dbraw/zinc/03/52/60/808035260.db2.gz	OFJATTWIFXBXLA-UHFFFAOYSA-N	-1	0	282.348	3.024	20	30		CGEDRM
COc1ccc(F)c(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174425322	809015342	/nfs/dbraw/zinc/01/53/42/809015342.db2.gz	PWBVEVQDESXLML-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174494342	809041828	/nfs/dbraw/zinc/04/18/28/809041828.db2.gz	CSBFYCXDWDANFL-QPJJXVBHSA-N	-1	0	299.717	3.448	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174496275	809042852	/nfs/dbraw/zinc/04/28/52/809042852.db2.gz	JAOPCWRHBIZYCE-FNORWQNLSA-N	-1	0	280.283	3.105	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)c(C)c1	ZINC001174675924	809126035	/nfs/dbraw/zinc/12/60/35/809126035.db2.gz	XHPDGHSMOGGJTB-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cccc(C#N)c1F	ZINC001174677847	809127037	/nfs/dbraw/zinc/12/70/37/809127037.db2.gz	SFSOAXGCFBNVHZ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccccc1C#N	ZINC001174678054	809127878	/nfs/dbraw/zinc/12/78/78/809127878.db2.gz	XWACVFHHVZGBMA-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])s2)c1F	ZINC001174811088	809168942	/nfs/dbraw/zinc/16/89/42/809168942.db2.gz	XEIAWFBBGDKGKK-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174954232	809214302	/nfs/dbraw/zinc/21/43/02/809214302.db2.gz	HBYGLYIHHQOONY-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
COc1cc(Nc2cc(C(=O)[O-])ccc2C)ccc1C#N	ZINC001174983569	809227082	/nfs/dbraw/zinc/22/70/82/809227082.db2.gz	CTNRAKNHKABWJO-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175159745	809292498	/nfs/dbraw/zinc/29/24/98/809292498.db2.gz	HEJTVPNUHAJVKQ-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1c2c(sc1Nc1cncc(C(=O)[O-])c1)CCCC2	ZINC001175840005	809553153	/nfs/dbraw/zinc/55/31/53/809553153.db2.gz	VMLKHEYSLPXNRK-UHFFFAOYSA-N	-1	0	299.355	3.335	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC001300219744	809564628	/nfs/dbraw/zinc/56/46/28/809564628.db2.gz	LMUYJTUFZUOTLK-RBSFLKMASA-N	-1	0	283.412	3.088	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2csc(C(=O)[O-])c2)c1	ZINC001176436058	809696642	/nfs/dbraw/zinc/69/66/42/809696642.db2.gz	IHVGUGQKIJUADP-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
C#Cc1cc(Nc2csc(C(=O)[O-])c2)ccc1F	ZINC001176439592	809698303	/nfs/dbraw/zinc/69/83/03/809698303.db2.gz	UFAQVKDPZDEVBV-UHFFFAOYSA-N	-1	0	261.277	3.310	20	30		CGEDRM
N#Cc1c(F)cc(Nc2csc(C(=O)[O-])c2)cc1F	ZINC001176440885	809699477	/nfs/dbraw/zinc/69/94/77/809699477.db2.gz	QRERHQMVLGMGQU-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176669618	809738622	/nfs/dbraw/zinc/73/86/22/809738622.db2.gz	JBWZQJNHRXTEOU-UHFFFAOYSA-N	-1	0	289.216	3.296	20	30		CGEDRM
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c([O-])cc1F	ZINC001181453207	810052981	/nfs/dbraw/zinc/05/29/81/810052981.db2.gz	BTUUORPTKQSRIU-CHWSQXEVSA-N	-1	0	296.301	3.145	20	30		CGEDRM
CC#CCCCCCCCC(=O)Nc1cc(=O)[nH]c(C)n1	ZINC001182764745	810122952	/nfs/dbraw/zinc/12/29/52/810122952.db2.gz	NDMSIVVKVRGEJL-UHFFFAOYSA-N	-1	0	289.379	3.183	20	30		CGEDRM
CC(C)(C)CC(C)(C)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184245829	810185015	/nfs/dbraw/zinc/18/50/15/810185015.db2.gz	COSGCYRSEQAZKS-UHFFFAOYSA-N	-1	0	276.400	3.367	20	30		CGEDRM
CCCCN(O)C(=O)[C@H](C)c1c(F)cccc1F	ZINC001184314713	810190713	/nfs/dbraw/zinc/19/07/13/810190713.db2.gz	HTRGOLMZASAOSX-SECBINFHSA-N	-1	0	257.280	3.086	20	30		CGEDRM
CCCCN(O)C(=O)c1cnc(C(C)(C)C)s1	ZINC001184314749	810190755	/nfs/dbraw/zinc/19/07/55/810190755.db2.gz	IYWHVQQKFXGTQY-UHFFFAOYSA-N	-1	0	256.371	3.072	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1c(O)cccc1C#N	ZINC001214276646	815393239	/nfs/dbraw/zinc/39/32/39/815393239.db2.gz	QSICMRDNDCQMJR-UHFFFAOYSA-N	-1	0	298.298	3.104	20	30		CGEDRM
C[C@H]1c2ccccc2CCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193494418	810896401	/nfs/dbraw/zinc/89/64/01/810896401.db2.gz	LKICSFQEAZQSCN-LBPRGKRZSA-N	-1	0	292.338	3.023	20	30		CGEDRM
Cn1ccc2cccc(C(=O)Nc3ccc(O)c(C#N)c3)c21	ZINC001199017992	811554774	/nfs/dbraw/zinc/55/47/74/811554774.db2.gz	IQGIQEZWSAKPAQ-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
Cc1csc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C#N	ZINC001199802615	811598871	/nfs/dbraw/zinc/59/88/71/811598871.db2.gz	WDBAEIRQYSPLFZ-UHFFFAOYSA-N	-1	0	275.289	3.286	20	30		CGEDRM
Cc1sc(Nc2cnc(F)c(C(=O)[O-])c2)c(C#N)c1C	ZINC001215101290	815482480	/nfs/dbraw/zinc/48/24/80/815482480.db2.gz	AEBSWVFARIKMLL-UHFFFAOYSA-N	-1	0	291.307	3.213	20	30		CGEDRM
N#Cc1cc(Nc2ccsc2C(=O)[O-])ccc1F	ZINC001215392209	815515023	/nfs/dbraw/zinc/51/50/23/815515023.db2.gz	YJESQHMZXIXRQB-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1C#N	ZINC001203292290	812295877	/nfs/dbraw/zinc/29/58/77/812295877.db2.gz	JWISKZVQSXJFKK-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203293423	812298259	/nfs/dbraw/zinc/29/82/59/812298259.db2.gz	LUGPCSGVMZEMEC-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccsc1C(=O)[O-]	ZINC001205614399	813023758	/nfs/dbraw/zinc/02/37/58/813023758.db2.gz	NVRLNJIPDVDXHO-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2csc(C(=O)[O-])c2)[nH]1	ZINC001206284183	813270799	/nfs/dbraw/zinc/27/07/99/813270799.db2.gz	XCNNEEBGZCDXGL-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
CC(C)Oc1cc(-c2ccccc2C=N[O-])c(F)cn1	ZINC001206652664	813390589	/nfs/dbraw/zinc/39/05/89/813390589.db2.gz	NWSFAGGJDPMYJR-UHFFFAOYSA-N	-1	0	274.295	3.483	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C#N)cc1	ZINC001210007999	814241339	/nfs/dbraw/zinc/24/13/39/814241339.db2.gz	WHPALFOYUUMVKD-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(C(C)=O)cc1Nc1scc([O-])c1C#N	ZINC001210077361	814276629	/nfs/dbraw/zinc/27/66/29/814276629.db2.gz	CNNKMXSRCNZUAA-UHFFFAOYSA-N	-1	0	288.328	3.280	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2cccc(C(=O)[O-])c2F)c1F	ZINC001210242115	814361795	/nfs/dbraw/zinc/36/17/95/814361795.db2.gz	BYGKRTXHIYRZOS-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)c(F)c1F	ZINC001210241799	814361939	/nfs/dbraw/zinc/36/19/39/814361939.db2.gz	WPOPHAQCYAHECR-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cc(F)cc(-c2noc(-c3ccc([O-])cc3F)n2)c1	ZINC001215826935	815606482	/nfs/dbraw/zinc/60/64/82/815606482.db2.gz	YGIVOOAZOGYSEF-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1cc(F)c(F)cc1Nc1scc([O-])c1C#N	ZINC001210546338	814518701	/nfs/dbraw/zinc/51/87/01/814518701.db2.gz	KPZDNXCVCFTBCZ-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
C[C@H](O)c1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001210642557	814567268	/nfs/dbraw/zinc/56/72/68/814567268.db2.gz	QHSVLBPPVKFMFE-QMMMGPOBSA-N	-1	0	260.318	3.122	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(Nc2cccc([S-])c2)c1	ZINC001210948351	814687284	/nfs/dbraw/zinc/68/72/84/814687284.db2.gz	QVWZKABGAXQAOM-UHFFFAOYSA-N	-1	0	284.340	3.377	20	30		CGEDRM
COc1c(Nc2sc(C)cc2C#N)cccc1C(=O)[O-]	ZINC001211033553	814714320	/nfs/dbraw/zinc/71/43/20/814714320.db2.gz	LXXLFDIEHBQLPG-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-n2ccc3c2cc(C#N)cc3N)c1	ZINC001211547388	814905867	/nfs/dbraw/zinc/90/58/67/814905867.db2.gz	NQAPLOXPOJVIFA-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
COCOc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001211566473	814909501	/nfs/dbraw/zinc/90/95/01/814909501.db2.gz	ITRSSIBNPKVDEC-UHFFFAOYSA-N	-1	0	288.278	3.129	20	30		CGEDRM
Cc1ccc(Nc2c(C)ccnc2C#N)cc1C(=O)[O-]	ZINC001211599147	814915080	/nfs/dbraw/zinc/91/50/80/814915080.db2.gz	CAUSMDVMJNABKC-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc(Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC001211601764	814915688	/nfs/dbraw/zinc/91/56/88/814915688.db2.gz	JZDGHGAWRAKJFA-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(C2CC2)cnc1F	ZINC001215954869	815640565	/nfs/dbraw/zinc/64/05/65/815640565.db2.gz	XPXUTOILQTYBQC-UHFFFAOYSA-N	-1	0	275.308	3.480	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216309451	815774874	/nfs/dbraw/zinc/77/48/74/815774874.db2.gz	WKXOBDREMCZXCA-UHFFFAOYSA-N	-1	0	281.315	3.320	20	30		CGEDRM
Cc1nc(-c2cc(Cl)c([O-])c(Cl)c2)cnc1C#N	ZINC001242852194	823152557	/nfs/dbraw/zinc/15/25/57/823152557.db2.gz	XLSDALIXURUGRC-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
Cc1c(Nc2cc(C#N)ccc2F)cccc1C(=O)[O-]	ZINC001216661797	815889256	/nfs/dbraw/zinc/88/92/56/815889256.db2.gz	RCXHEQUMQJIANS-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cccc([S-])c3)cnc12	ZINC001242868450	823159828	/nfs/dbraw/zinc/15/98/28/823159828.db2.gz	UTFKZZDFTUQONF-UHFFFAOYSA-N	-1	0	251.314	3.390	20	30		CGEDRM
N#Cc1ccc2nccc(-c3ccccc3C(=O)[O-])c2c1	ZINC001242877785	823161933	/nfs/dbraw/zinc/16/19/33/823161933.db2.gz	BOXHQNBJEGSILO-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
Cc1cnc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1C#N	ZINC001222672519	816495386	/nfs/dbraw/zinc/49/53/86/816495386.db2.gz	SMWIPNCKLBYLRB-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001222690672	816500092	/nfs/dbraw/zinc/50/00/92/816500092.db2.gz	OUKSLOPQWFHKNK-UHFFFAOYSA-N	-1	0	288.306	3.213	20	30		CGEDRM
C=CC[C@@H](CCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223744671	816673823	/nfs/dbraw/zinc/67/38/23/816673823.db2.gz	OYIJJYXYTDUNHN-ZDUSSCGKSA-N	-1	0	284.377	3.195	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(F)c([O-])c2)nc1C#N	ZINC001243049051	823225942	/nfs/dbraw/zinc/22/59/42/823225942.db2.gz	KSXMNGWUPGWFBA-UHFFFAOYSA-N	-1	0	270.263	3.030	20	30		CGEDRM
COc1nc(C)c(-c2ccc(F)c([O-])c2)c(C)c1C#N	ZINC001243049443	823226460	/nfs/dbraw/zinc/22/64/60/823226460.db2.gz	PHLVSQWDNLYSIR-UHFFFAOYSA-N	-1	0	272.279	3.090	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccc(F)c2)[nH]1	ZINC001225466519	817061302	/nfs/dbraw/zinc/06/13/02/817061302.db2.gz	FCMYDRPPQRQYIE-SNVBAGLBSA-N	-1	0	272.279	3.246	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225627222	817118331	/nfs/dbraw/zinc/11/83/31/817118331.db2.gz	XQYOQDWXCXWGPO-MRVPVSSYSA-N	-1	0	271.338	3.166	20	30		CGEDRM
N#C[C@H]1CC[C@@H](Oc2c(F)c(F)c([O-])c(F)c2F)C1	ZINC001225878858	817204449	/nfs/dbraw/zinc/20/44/49/817204449.db2.gz	QWKLVRMXHWFZDW-NTSWFWBYSA-N	-1	0	275.201	3.020	20	30		CGEDRM
CCC[C@H](C)[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008149	817246781	/nfs/dbraw/zinc/24/67/81/817246781.db2.gz	FKDSSCRBJOQHGU-JOYOIKCWSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1F	ZINC001226009100	817247956	/nfs/dbraw/zinc/24/79/56/817247956.db2.gz	RXRRQSFWCBOPNQ-CYBMUJFWSA-N	-1	0	290.269	3.467	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccs2)c1C#N	ZINC001226222177	817302461	/nfs/dbraw/zinc/30/24/61/817302461.db2.gz	USSXLOBKABXBFE-VIFPVBQESA-N	-1	0	260.318	3.169	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[nH]c(=O)ncc1C(C)=O	ZINC001226237579	817305968	/nfs/dbraw/zinc/30/59/68/817305968.db2.gz	KNJXEOPTSYRGTI-JKOKRWQUSA-N	-1	0	290.363	3.145	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(C)[n-]c(=O)c2F)C1	ZINC001226418812	817351194	/nfs/dbraw/zinc/35/11/94/817351194.db2.gz	DBMDZQQEQFOOFQ-NEPJUHHUSA-N	-1	0	278.327	3.310	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226483327	817371531	/nfs/dbraw/zinc/37/15/31/817371531.db2.gz	VXROBMUQOSWYBF-NSHDSACASA-N	-1	0	264.321	3.424	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)nc2cnccc21	ZINC001226976408	817522516	/nfs/dbraw/zinc/52/25/16/817522516.db2.gz	NQAWLGITKXJTRC-TYNCELHUSA-N	-1	0	299.374	3.078	20	30		CGEDRM
C=C(C)C[C@@H](Oc1nc(=O)[n-]c(C)c1Cl)C(=C)C	ZINC001227114178	817562550	/nfs/dbraw/zinc/56/25/50/817562550.db2.gz	XXYBKSWRHMEJEM-SNVBAGLBSA-N	-1	0	268.744	3.434	20	30		CGEDRM
C#C[C@@H](Oc1c(C(C)=O)ccc(O)c1CC=C)C(C)C	ZINC001227122344	817565077	/nfs/dbraw/zinc/56/50/77/817565077.db2.gz	KXHGOAZUHVVEPM-MRXNPFEDSA-N	-1	0	272.344	3.360	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccccc2OCC#N)c1	ZINC001243176632	823273797	/nfs/dbraw/zinc/27/37/97/823273797.db2.gz	AUQQKRLFVNJVGX-UHFFFAOYSA-N	-1	0	267.284	3.263	20	30		CGEDRM
COc1cc(-c2cc(C)cc(C(=O)[O-])c2)cc(F)c1C#N	ZINC001243180087	823275809	/nfs/dbraw/zinc/27/58/09/823275809.db2.gz	CNMJNROKVJCMLJ-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243193652	823283383	/nfs/dbraw/zinc/28/33/83/823283383.db2.gz	ZGPAKJLNPROPMX-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
C#C[C@H](Oc1[n-]c(=O)nc2sccc21)c1ccccc1	ZINC001227842158	817731790	/nfs/dbraw/zinc/73/17/90/817731790.db2.gz	BYELTYQEKJQRND-LBPRGKRZSA-N	-1	0	282.324	3.150	20	30		CGEDRM
Cc1ccc(-c2nc3ncccc3cc2C#N)cc1C(=O)[O-]	ZINC001243194976	823284665	/nfs/dbraw/zinc/28/46/65/823284665.db2.gz	OEAXEGGRZYYFIF-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2c(Br)cccc12	ZINC001228061699	817799682	/nfs/dbraw/zinc/79/96/82/817799682.db2.gz	CKENBRKZBAYBAH-SSDOTTSWSA-N	-1	0	295.136	3.051	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc2ncnc(C#N)c2c1	ZINC001243205063	823290375	/nfs/dbraw/zinc/29/03/75/823290375.db2.gz	WWUCOOBKOVCEFO-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
Cc1cc(-c2ccc(CC#N)c(C#N)c2)ccc1C(=O)[O-]	ZINC001243214073	823294934	/nfs/dbraw/zinc/29/49/34/823294934.db2.gz	CSYIAHWIGGJPTF-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243214527	823295678	/nfs/dbraw/zinc/29/56/78/823295678.db2.gz	QHWFEXYIRQLXAH-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(-c2ccc3ncnc(C#N)c3c2)ccc1C(=O)[O-]	ZINC001243215244	823296063	/nfs/dbraw/zinc/29/60/63/823296063.db2.gz	MBELXXSPIRUMRJ-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C=CC[C@@H](Oc1nc(O)cc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001228391041	817895139	/nfs/dbraw/zinc/89/51/39/817895139.db2.gz	LPJXDGCMNHOSIK-LLVKDONJSA-N	-1	0	292.722	3.237	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)ncc1Cl)C(=C)C	ZINC001228482042	817917655	/nfs/dbraw/zinc/91/76/55/817917655.db2.gz	IWGVWDWYOCJVHD-SNVBAGLBSA-N	-1	0	254.717	3.125	20	30		CGEDRM
N#CC1CC(Oc2ccccc2C(=O)c2ccccc2[O-])C1	ZINC001231210467	818057316	/nfs/dbraw/zinc/05/73/16/818057316.db2.gz	QAEIEUNCLFFVGI-UHFFFAOYSA-N	-1	0	293.322	3.304	20	30		CGEDRM
N#CCC1CN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232624780	818403219	/nfs/dbraw/zinc/40/32/19/818403219.db2.gz	WWBQJRBZPRKBIV-UHFFFAOYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
C[C@H](Oc1ncc(C(F)(F)F)cc1C#N)C1=CC=C[CH]1	ZINC001233509041	818630274	/nfs/dbraw/zinc/63/02/74/818630274.db2.gz	DXTIEVUFFZMRLN-VIFPVBQESA-N	-1	0	279.241	3.440	20	30		CGEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@H]3CCC=CCCC3)c2c1	ZINC001234530154	818875824	/nfs/dbraw/zinc/87/58/24/818875824.db2.gz	ITMUGFSFTIVRDT-ZDUSSCGKSA-N	-1	0	295.342	3.475	20	30		CGEDRM
CCCC[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530142	818875936	/nfs/dbraw/zinc/87/59/36/818875936.db2.gz	IJTJGCCNFXUFGJ-SNVBAGLBSA-N	-1	0	271.320	3.165	20	30		CGEDRM
C#C[C@H](CCCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822728	818927116	/nfs/dbraw/zinc/92/71/16/818927116.db2.gz	YNSKFIQLIVIIRU-CYBMUJFWSA-N	-1	0	286.327	3.378	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235531792	819117929	/nfs/dbraw/zinc/11/79/29/819117929.db2.gz	NIGDDRWQLZMHII-JXMROGBWSA-N	-1	0	279.295	3.354	20	30		CGEDRM
N#Cc1cc2nc(-c3c(F)cc(F)c([O-])c3F)ccc2[nH]1	ZINC001235989650	819263061	/nfs/dbraw/zinc/26/30/61/819263061.db2.gz	JYPDQPJADLLZQM-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccc(C(=O)[O-])cc1	ZINC001236064191	819295776	/nfs/dbraw/zinc/29/57/76/819295776.db2.gz	AXVXSCHVOSKTNI-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
Cc1c(Cl)c(-c2ccc(C#N)c(F)n2)ccc1C(=O)[O-]	ZINC001236114943	819326963	/nfs/dbraw/zinc/32/69/63/819326963.db2.gz	LUIJJVCKLZSMBX-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1ccc(F)c(-c2ncc3c(c2C#N)CCC3)c1[O-]	ZINC001236393010	819448418	/nfs/dbraw/zinc/44/84/18/819448418.db2.gz	SEBXIXKRPVFLSF-UHFFFAOYSA-N	-1	0	268.291	3.262	20	30		CGEDRM
COC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])c(C#N)c1	ZINC001236404405	819453379	/nfs/dbraw/zinc/45/33/79/819453379.db2.gz	YTLKIURENKYECY-UHFFFAOYSA-N	-1	0	285.274	3.165	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N	ZINC001239352483	820286288	/nfs/dbraw/zinc/28/62/88/820286288.db2.gz	CSPSCZLMZZEHKA-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#CCc1ccccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239352779	820286472	/nfs/dbraw/zinc/28/64/72/820286472.db2.gz	GGRFSJXCQVPODL-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(/C=N/[O-])c(F)c2)cc1F	ZINC001239930381	820709396	/nfs/dbraw/zinc/70/93/96/820709396.db2.gz	DQIPKCSNGPQMCJ-FBCYGCLPSA-N	-1	0	276.217	3.451	20	30		CGEDRM
COc1cc(-c2cc(C3(C#N)CC3)ccn2)ccc1C(=O)[O-]	ZINC001240743373	821294572	/nfs/dbraw/zinc/29/45/72/821294572.db2.gz	LLXDWNCAMBJJAE-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
COc1cc(-c2cccc(CS)c2)ccc1C(=O)[O-]	ZINC001240746192	821296575	/nfs/dbraw/zinc/29/65/75/821296575.db2.gz	YZZPSHKPUKIULX-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3ccc(C(=O)[O-])s3)cc12	ZINC001240848113	821368767	/nfs/dbraw/zinc/36/87/67/821368767.db2.gz	QJGSTFVMIDDNHG-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
COc1nc(C)c(-c2ccc(C(=O)[O-])s2)c(C)c1C#N	ZINC001240847847	821369073	/nfs/dbraw/zinc/36/90/73/821369073.db2.gz	MMCYPTRRWCZLLH-UHFFFAOYSA-N	-1	0	288.328	3.005	20	30		CGEDRM
N#Cc1cnc(-c2ccc(CC(=O)[O-])cc2)c2ccccc12	ZINC001240971591	821456343	/nfs/dbraw/zinc/45/63/43/821456343.db2.gz	FNHUOQBSCCZRHU-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cnc2ccc(C#N)cc2n1	ZINC001241000401	821478374	/nfs/dbraw/zinc/47/83/74/821478374.db2.gz	NJFPTLGAEFUWDN-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241185882	821622866	/nfs/dbraw/zinc/62/28/66/821622866.db2.gz	TYQKBUQKWWQIRT-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)nc1	ZINC001241344756	821749675	/nfs/dbraw/zinc/74/96/75/821749675.db2.gz	SFDZEEPGSXUTCW-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)c(C#N)n1	ZINC001241350527	821752808	/nfs/dbraw/zinc/75/28/08/821752808.db2.gz	XWUJQEMIHQLRKP-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1cccc(C(=O)[O-])c1	ZINC001241356688	821758355	/nfs/dbraw/zinc/75/83/55/821758355.db2.gz	ARLOFWJAIDGYHX-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1cc(F)cc(-c2cccc(C(=O)[O-])c2)c1C#N	ZINC001241359477	821760468	/nfs/dbraw/zinc/76/04/68/821760468.db2.gz	SVXPULUBFXOQSM-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
COc1cc(-c2cccc(C(=O)[O-])c2)cc(F)c1C#N	ZINC001241360367	821761918	/nfs/dbraw/zinc/76/19/18/821761918.db2.gz	DKWFZFXLTYEIGA-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
C[Si](C)(C)C#Cc1ccnc(-c2cncc(C(=O)[O-])c2)c1	ZINC001241800709	822150176	/nfs/dbraw/zinc/15/01/76/822150176.db2.gz	CNZBRMYGLHLDPN-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241803563	822152197	/nfs/dbraw/zinc/15/21/97/822152197.db2.gz	RPRFYVZMNDFUEZ-UHFFFAOYSA-N	-1	0	266.300	3.248	20	30		CGEDRM
O=C([O-])c1cc(F)cc(-c2ccc(/C=N/O)c(F)c2)c1	ZINC001241835990	822171854	/nfs/dbraw/zinc/17/18/54/822171854.db2.gz	ZVDPVNWQCBCGLQ-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
Cc1ccc(-c2cc(C(=O)[O-])cc(F)c2C)c(C#N)n1	ZINC001242210374	822911342	/nfs/dbraw/zinc/91/13/42/822911342.db2.gz	GQAWFQPDHBCXMM-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc(F)cc1[O-]	ZINC001242216453	822914358	/nfs/dbraw/zinc/91/43/58/822914358.db2.gz	UDOGNJUBLCEIKU-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
CC(C)c1ccc(C#N)c(-c2cccc(CC(=O)[O-])c2)n1	ZINC001242259827	822928929	/nfs/dbraw/zinc/92/89/29/822928929.db2.gz	DIGRTCWIGBTFDF-UHFFFAOYSA-N	-1	0	280.327	3.371	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1cccc(F)c1[O-]	ZINC001242347865	822959335	/nfs/dbraw/zinc/95/93/35/822959335.db2.gz	DUXZKOWBPNUJJW-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1cnc(-c2cccc(Cl)c2[O-])c(/C=N/O)c1	ZINC001242364585	822968429	/nfs/dbraw/zinc/96/84/29/822968429.db2.gz	FINAHTJBIRUZSN-FRKPEAEDSA-N	-1	0	262.696	3.224	20	30		CGEDRM
C=C(C)c1ccc(-c2cc(C(=O)[O-])ccc2OC)nc1	ZINC001242389799	822978651	/nfs/dbraw/zinc/97/86/51/822978651.db2.gz	UIQPKEBIUDTDKY-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(CC#N)c1	ZINC001242390380	822978707	/nfs/dbraw/zinc/97/87/07/822978707.db2.gz	JYIZJKXQJLPYMT-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#Cc1cc(-c2ncc3ccccc3c2C#N)ccc1[O-]	ZINC001242562920	823032937	/nfs/dbraw/zinc/03/29/37/823032937.db2.gz	NZKZINCTIOYZGL-UHFFFAOYSA-N	-1	0	271.279	3.351	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3ccc([O-])c(C#N)c3)c2c1	ZINC001242562698	823032953	/nfs/dbraw/zinc/03/29/53/823032953.db2.gz	IDULEBRNLNZXLW-UHFFFAOYSA-N	-1	0	271.279	3.351	20	30		CGEDRM
N#Cc1cc(-c2ccc3oc(=S)[n-]c3c2)ccc1O	ZINC001242564964	823035642	/nfs/dbraw/zinc/03/56/42/823035642.db2.gz	DBNRZOAZZSGPRF-UHFFFAOYSA-N	-1	0	268.297	3.361	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C	ZINC001344801151	936544026	/nfs/dbraw/zinc/54/40/26/936544026.db2.gz	JWKVTSBEHZTGMT-GFCCVEGCSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=C(C)CCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC001345720365	936822934	/nfs/dbraw/zinc/82/29/34/936822934.db2.gz	SUZULQXKDLUJBH-CQSZACIVSA-N	-1	0	275.348	3.065	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC001346313644	936844875	/nfs/dbraw/zinc/84/48/75/936844875.db2.gz	YQMAIFJQWKNXNC-LLVKDONJSA-N	-1	0	261.321	3.170	20	30		CGEDRM
Cn1ccc2c1cccc2C(=O)[C@@H](C#N)c1cccc(F)n1	ZINC001347107006	936870217	/nfs/dbraw/zinc/87/02/17/936870217.db2.gz	KUPIJEOGJNBNFU-ZDUSSCGKSA-N	-1	0	293.301	3.202	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001347993879	936905774	/nfs/dbraw/zinc/90/57/74/936905774.db2.gz	PJIIXZRERQNRPQ-NSHDSACASA-N	-1	0	290.269	3.395	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCC[C@@H](F)C2)c1	ZINC001349372672	936947685	/nfs/dbraw/zinc/94/76/85/936947685.db2.gz	OETIMZOTPWEWDV-UFCGYKGRSA-N	-1	0	266.272	3.000	20	30		CGEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001349703369	936959150	/nfs/dbraw/zinc/95/91/50/936959150.db2.gz	WUZQUOJPMICXOG-JTQLQIEISA-N	-1	0	291.738	3.280	20	30		CGEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1F	ZINC000211735869	926743887	/nfs/dbraw/zinc/74/38/87/926743887.db2.gz	QIERSEQUFWDSML-ALCCZGGFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1	ZINC000255465372	926781818	/nfs/dbraw/zinc/78/18/18/926781818.db2.gz	UTZDGPNHQAMOEV-DAXSKMNVSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C=CC[C@@H](NC(=O)c1cc(CC)c(CCC)s1)C(=O)[O-]	ZINC000150338333	937222145	/nfs/dbraw/zinc/22/21/45/937222145.db2.gz	FTPGYBXVTPCIQT-LLVKDONJSA-N	-1	0	295.404	3.022	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccc(Cl)cc1	ZINC001228898134	932046455	/nfs/dbraw/zinc/04/64/55/932046455.db2.gz	CCDZDGARGIXXDC-VIFPVBQESA-N	-1	0	274.707	3.452	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CC[C@H]2CCCC[C@H]2C1	ZINC001228901740	932047868	/nfs/dbraw/zinc/04/78/68/932047868.db2.gz	NUEKLSGCJWIRCR-MBNYWOFBSA-N	-1	0	272.348	3.397	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCCc2ccccc21	ZINC001228898832	932048285	/nfs/dbraw/zinc/04/82/85/932048285.db2.gz	MPWORZNSEWPTER-CQSZACIVSA-N	-1	0	266.300	3.115	20	30		CGEDRM
C=CC(C=C)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228914198	932049984	/nfs/dbraw/zinc/04/99/84/932049984.db2.gz	VFMWMVUEWWFRDR-UHFFFAOYSA-N	-1	0	262.696	3.108	20	30		CGEDRM
C=CC[C@H](CCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228972537	932062621	/nfs/dbraw/zinc/06/26/21/932062621.db2.gz	XUUXVTOWZDBBGH-SNVBAGLBSA-N	-1	0	267.281	3.130	20	30		CGEDRM
C#C[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229797582	932485929	/nfs/dbraw/zinc/48/59/29/932485929.db2.gz	HKFZDXFSUASSCR-JTQLQIEISA-N	-1	0	280.279	3.052	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1nc[n-]c(=O)c1Cl	ZINC001230018119	932522672	/nfs/dbraw/zinc/52/26/72/932522672.db2.gz	NHNHJDMZDCEVNX-GFCCVEGCSA-N	-1	0	288.734	3.045	20	30		CGEDRM
COC(=O)C[C@@H](C#N)c1ccc(O[C@H](C)C2=CC=C[CH]2)cc1	ZINC001230999186	932655185	/nfs/dbraw/zinc/65/51/85/932655185.db2.gz	ITQJPRXYYLSIED-CJNGLKHVSA-N	-1	0	296.346	3.325	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1CCC#N	ZINC001317892286	933663442	/nfs/dbraw/zinc/66/34/42/933663442.db2.gz	PWVFPCHANSFHSU-GFCCVEGCSA-N	-1	0	275.739	3.291	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](OCCC)c1ccc(F)cc1C	ZINC001470616573	937755804	/nfs/dbraw/zinc/75/58/04/937755804.db2.gz	PAGFVJPTEPATBP-HNNXBMFYSA-N	-1	0	295.354	3.226	20	30		CGEDRM
C=CC(C)(C)CNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC001324678979	934548613	/nfs/dbraw/zinc/54/86/13/934548613.db2.gz	PJZRYOMPBVIJIW-UHFFFAOYSA-N	-1	0	276.361	3.059	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1C)OCC	ZINC001334189501	936089667	/nfs/dbraw/zinc/08/96/67/936089667.db2.gz	VUKHOBMCYOPDNI-AWEZNQCLSA-N	-1	0	291.347	3.003	20	30		CGEDRM
CC(C)CON=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC001337763011	936286938	/nfs/dbraw/zinc/28/69/38/936286938.db2.gz	WAOAQPCMOYGROX-UHFFFAOYSA-N	-1	0	261.730	3.106	20	30		CGEDRM
CC[C@H](F)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC001515768237	938007426	/nfs/dbraw/zinc/00/74/26/938007426.db2.gz	PZQPMMMMFUVKLY-QWRGUYRKSA-N	-1	0	293.363	3.267	20	30		CGEDRM
CCc1ccc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001516711163	938009447	/nfs/dbraw/zinc/00/94/47/938009447.db2.gz	RXYMGGYQHRTWAK-JTQLQIEISA-N	-1	0	274.320	3.335	20	30		CGEDRM
CCCCCCCCC(=O)Nc1nc(C(=O)OCC)c[nH]1	ZINC001521255504	938030734	/nfs/dbraw/zinc/03/07/34/938030734.db2.gz	LSFXDBDLVUGYTQ-UHFFFAOYSA-N	-1	0	295.383	3.276	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)Cc1nc(C2CCCCC2)cs1	ZINC001557325962	938209263	/nfs/dbraw/zinc/20/92/63/938209263.db2.gz	JEQLQPRCUSUSLK-NSHDSACASA-N	-1	0	294.420	3.356	20	30		CGEDRM
C=CCCCCCCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001602718860	971378557	/nfs/dbraw/zinc/37/85/57/971378557.db2.gz	CZXMYHIPAORULW-HJWRWDBZSA-N	-1	0	291.347	3.244	20	30		CGEDRM
C=CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000380427880	971698269	/nfs/dbraw/zinc/69/82/69/971698269.db2.gz	ZEIXWRSTTUXCCM-UHFFFAOYSA-N	-1	0	280.299	3.002	20	30		CGEDRM
N#C[C@@H]1CCC[C@@H](OC(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001594606102	956177183	/nfs/dbraw/zinc/17/71/83/956177183.db2.gz	QHIFGZNWPOELDS-CHWSQXEVSA-N	-1	0	293.363	3.037	20	30		CGEDRM
C[C@@H](Sc1cc(C#N)ccn1)c1ccc(C(=O)[O-])o1	ZINC000235312018	960408181	/nfs/dbraw/zinc/40/81/81/960408181.db2.gz	FGMSPDXYARSRAQ-MRVPVSSYSA-N	-1	0	274.301	3.098	20	30		CGEDRM
C=CCCCCNC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC001588802532	960492539	/nfs/dbraw/zinc/49/25/39/960492539.db2.gz	QKOJDQYDZFVUNT-UHFFFAOYSA-N	-1	0	282.365	3.233	20	30		CGEDRM
CCCCCCCNC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC001603641033	960554150	/nfs/dbraw/zinc/55/41/50/960554150.db2.gz	SRXJXLOYYWKFLL-CQSZACIVSA-N	-1	0	298.427	3.386	20	30		CGEDRM
C=CCCCCCN1CCc2ccc(C(=O)[O-])cc21	ZINC000236477325	960661303	/nfs/dbraw/zinc/66/13/03/960661303.db2.gz	XXBLCBKYMLBOQA-UHFFFAOYSA-N	-1	0	259.349	3.494	20	30		CGEDRM
N#C[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)C1CCCCC1	ZINC001566140643	960897165	/nfs/dbraw/zinc/89/71/65/960897165.db2.gz	DADCNVLOEWNSNV-CYBMUJFWSA-N	-1	0	292.766	3.248	20	30		CGEDRM
CCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001566436776	960941165	/nfs/dbraw/zinc/94/11/65/960941165.db2.gz	QXENCGVITQCFQB-UHFFFAOYSA-N	-1	0	294.351	3.391	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001573330364	962244438	/nfs/dbraw/zinc/24/44/38/962244438.db2.gz	XWYOXLZGAJFPQL-CLFYSBASSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CCCCC	ZINC001573332830	962843845	/nfs/dbraw/zinc/84/38/45/962843845.db2.gz	SLMMIJTXZDVZGU-CQSZACIVSA-N	-1	0	281.396	3.369	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001573348498	962959400	/nfs/dbraw/zinc/95/94/00/962959400.db2.gz	XQFHRZQICBWPPA-UHFFFAOYSA-N	-1	0	293.338	3.246	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-]	ZINC001573350050	962963076	/nfs/dbraw/zinc/96/30/76/962963076.db2.gz	AGJAKJIWISXTOI-KRWDZBQOSA-N	-1	0	293.407	3.247	20	30		CGEDRM
C=CC[C@@H]1CC[C@@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1	ZINC001573352768	962992918	/nfs/dbraw/zinc/99/29/18/962992918.db2.gz	JWCLKJIUGYYPII-TZMCWYRMSA-N	-1	0	299.374	3.278	20	30		CGEDRM
C=CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001573367635	963069041	/nfs/dbraw/zinc/06/90/41/963069041.db2.gz	YQOHMAXHQANCKK-UHFFFAOYSA-N	-1	0	290.363	3.425	20	30		CGEDRM
C=C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000302410989	963082200	/nfs/dbraw/zinc/08/22/00/963082200.db2.gz	PUTKHKHBSMBGCX-OAHLLOKOSA-N	-1	0	253.301	3.405	20	30		CGEDRM
C#C[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001588376029	963269309	/nfs/dbraw/zinc/26/93/09/963269309.db2.gz	OWHFWVWDSFNIIZ-CYBMUJFWSA-N	-1	0	296.282	3.079	20	30		CGEDRM
C#C[C@H](N[C@H](C(=O)[O-])c1ccccc1C)c1ccc(F)cc1	ZINC001588378096	963271933	/nfs/dbraw/zinc/27/19/33/963271933.db2.gz	URKHVNKEZSSHJJ-IRXDYDNUSA-N	-1	0	297.329	3.224	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001588458030	963275528	/nfs/dbraw/zinc/27/55/28/963275528.db2.gz	JFEWCFHEUSMBHB-CYBMUJFWSA-N	-1	0	283.412	3.376	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1	ZINC001588516739	963275819	/nfs/dbraw/zinc/27/58/19/963275819.db2.gz	ZTQLZMRMRALLLT-LBPRGKRZSA-N	-1	0	293.322	3.108	20	30		CGEDRM
C=C(C)C[C@@H](Nc1ncnc2sc(C)c(C)c21)C(=O)[O-]	ZINC001588554881	963281682	/nfs/dbraw/zinc/28/16/82/963281682.db2.gz	SIIIDDKKRKHECY-SNVBAGLBSA-N	-1	0	291.376	3.139	20	30		CGEDRM
C=C(C)CCC(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001588554837	963287731	/nfs/dbraw/zinc/28/77/31/963287731.db2.gz	RARXMHZCSJDRJV-UHFFFAOYSA-N	-1	0	267.350	3.358	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(O[C@H](C)CC)c1	ZINC001588633636	963289098	/nfs/dbraw/zinc/28/90/98/963289098.db2.gz	LFAPXCFHOPTAPB-GFCCVEGCSA-N	-1	0	291.347	3.223	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(C)cc1	ZINC001588614936	963290960	/nfs/dbraw/zinc/29/09/60/963290960.db2.gz	FBVXTAUSAQGAIM-OAHLLOKOSA-N	-1	0	287.359	3.080	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(C)cc1C	ZINC001588606753	963292119	/nfs/dbraw/zinc/29/21/19/963292119.db2.gz	IIMMAIAOUTYDDB-CQSZACIVSA-N	-1	0	289.375	3.244	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(c1ccc(C)cc1)C1CCC1	ZINC001588611962	963295477	/nfs/dbraw/zinc/29/54/77/963295477.db2.gz	DAWKJMOIZURLES-UHFFFAOYSA-N	-1	0	287.359	3.302	20	30		CGEDRM
C=C1CCC(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CC1	ZINC001588644177	963299732	/nfs/dbraw/zinc/29/97/32/963299732.db2.gz	GEECCNXLETUKKA-HNNXBMFYSA-N	-1	0	299.370	3.338	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(CCC(=O)[O-])c1ccccc1C	ZINC001588690595	963300446	/nfs/dbraw/zinc/30/04/46/963300446.db2.gz	DKWCFPPBPDXELM-CQSZACIVSA-N	-1	0	289.375	3.405	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-]	ZINC001588672007	963301061	/nfs/dbraw/zinc/30/10/61/963301061.db2.gz	MUPICKIGTFJIHX-CQSZACIVSA-N	-1	0	289.375	3.485	20	30		CGEDRM
C=C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1	ZINC001588711467	963303917	/nfs/dbraw/zinc/30/39/17/963303917.db2.gz	AJTFXGFHUPRHRC-RBSFLKMASA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=CC[C@@H](Nc1cccc(COCC2CC2)c1)C(=O)[O-]	ZINC001588752077	963312213	/nfs/dbraw/zinc/31/22/13/963312213.db2.gz	UETMKNZMQFCBPC-OAHLLOKOSA-N	-1	0	275.348	3.054	20	30		CGEDRM
C=CCC[C@H](OC(=O)Cc1ccccc1C(=O)[O-])C1CC1	ZINC001588778470	963313929	/nfs/dbraw/zinc/31/39/29/963313929.db2.gz	BHVSTNZHCVYFJE-HNNXBMFYSA-N	-1	0	288.343	3.215	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC001588786967	963315967	/nfs/dbraw/zinc/31/59/67/963315967.db2.gz	RZTJCGNZKSTVKW-TZMCWYRMSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001588782828	963318653	/nfs/dbraw/zinc/31/86/53/963318653.db2.gz	NSZSRRTUGOGZPI-GFCCVEGCSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CCCC[C@@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC001588784682	963318709	/nfs/dbraw/zinc/31/87/09/963318709.db2.gz	ACBIDMKYHBKINU-CLXYIWAZSA-N	-1	0	298.342	3.169	20	30		CGEDRM
C=CCCCCCCNC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588799065	963319888	/nfs/dbraw/zinc/31/98/88/963319888.db2.gz	ZUBAZXOULCOVQJ-UHFFFAOYSA-N	-1	0	289.375	3.180	20	30		CGEDRM
C=CCN(C(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1	ZINC001588820548	963323256	/nfs/dbraw/zinc/32/32/56/963323256.db2.gz	JSTDUGLVBCKXGO-UHFFFAOYSA-N	-1	0	295.338	3.147	20	30		CGEDRM
CC(=NN[C@H]1CCCCC1(C)C)c1ncc(C(=O)[O-])s1	ZINC001589016602	963341362	/nfs/dbraw/zinc/34/13/62/963341362.db2.gz	CIIZLEONTBFRHP-NSHDSACASA-N	-1	0	295.408	3.124	20	30		CGEDRM
CCCCCCCCCCn1cnc(C(=O)[O-])n1	ZINC000310794461	963434498	/nfs/dbraw/zinc/43/44/98/963434498.db2.gz	BPVNSFWAOAFDBS-UHFFFAOYSA-N	-1	0	253.346	3.117	20	30		CGEDRM
C[C@@H](C#N)CN(Cc1cc(C(=O)[O-])ccc1Cl)C1CC1	ZINC001589331025	963986108	/nfs/dbraw/zinc/98/61/08/963986108.db2.gz	YQRBZGZHUXNZSO-JTQLQIEISA-N	-1	0	292.766	3.162	20	30		CGEDRM
C#CCCCCCCOc1ccc(N(C)C)c(C(=O)[O-])c1	ZINC001588441163	964049909	/nfs/dbraw/zinc/04/99/09/964049909.db2.gz	BGYTZOVDNYNJCQ-UHFFFAOYSA-N	-1	0	289.375	3.413	20	30		CGEDRM
C#CCCCCCC(=O)OCc1ccccc1C(=O)[O-]	ZINC001588442310	964055856	/nfs/dbraw/zinc/05/58/56/964055856.db2.gz	RADNBRJNBBCYKV-UHFFFAOYSA-N	-1	0	274.316	3.012	20	30		CGEDRM
N#CCc1ccc(COc2cccc(C(=O)[O-])c2)cc1	ZINC000399014718	973188526	/nfs/dbraw/zinc/18/85/26/973188526.db2.gz	CROBLGDVEFBNLU-UHFFFAOYSA-N	-1	0	267.284	3.030	20	30		CGEDRM
CCCCCCCCNC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001603640367	973981606	/nfs/dbraw/zinc/98/16/06/973981606.db2.gz	DQYRDLAXFMUQIU-CQSZACIVSA-N	-1	0	283.412	3.354	20	30		CGEDRM
C[C@@H](CC#N)N(C)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001592222357	977407280	/nfs/dbraw/zinc/40/72/80/977407280.db2.gz	VTWZJFUJMFZYAL-LBPRGKRZSA-N	-1	0	298.342	3.379	20	30		CGEDRM
C[C@H](CCC#N)CNc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001592469876	978215542	/nfs/dbraw/zinc/21/55/42/978215542.db2.gz	BKOLPTURLMBMSF-GFCCVEGCSA-N	-1	0	274.364	3.401	20	30		CGEDRM
CCC(CC)CCCN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001595111330	979457243	/nfs/dbraw/zinc/45/72/43/979457243.db2.gz	GQPYXALDLWOZER-UHFFFAOYSA-N	-1	0	289.379	3.304	20	30		CGEDRM
CCCCCCCCCNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001595704607	982276996	/nfs/dbraw/zinc/27/69/96/982276996.db2.gz	CQMKBJJXSGIHGM-OKILXGFUSA-N	-1	0	298.427	3.242	20	30		CGEDRM
CCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@H](C)C#N	ZINC001596354198	983815285	/nfs/dbraw/zinc/81/52/85/983815285.db2.gz	CQDQTMKHQKOYOJ-SNVBAGLBSA-N	-1	0	280.755	3.020	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC001594722829	987217396	/nfs/dbraw/zinc/21/73/96/987217396.db2.gz	WSFVFRGBFTVCNM-UHFFFAOYSA-N	-1	0	294.738	3.307	20	30		CGEDRM
CSc1ccc(NC(=O)CCCCC#N)cc1C(=O)[O-]	ZINC001599815347	988412841	/nfs/dbraw/zinc/41/28/41/988412841.db2.gz	GYSHUTCAJLROJL-UHFFFAOYSA-N	-1	0	292.360	3.129	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CNc1cccc(CC#N)c1	ZINC001597767786	989226535	/nfs/dbraw/zinc/22/65/35/989226535.db2.gz	VULZDOGNCJJNEF-UHFFFAOYSA-N	-1	0	284.315	3.218	20	30		CGEDRM
CC(C)(CC/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC001590671140	990379970	/nfs/dbraw/zinc/37/99/70/990379970.db2.gz	QIQBQDVJBNXTQL-WQRHYEAKSA-N	-1	0	285.343	3.465	20	30		CGEDRM
COCc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001599294224	997110354	/nfs/dbraw/zinc/11/03/54/997110354.db2.gz	NSGIAQAAFJUGBZ-VOTSOKGWSA-N	-1	0	286.283	3.020	20	30		CGEDRM
COc1cc(C)ccc1NCc1cccc(C(=O)[O-])c1C#N	ZINC001599395223	997112393	/nfs/dbraw/zinc/11/23/93/997112393.db2.gz	RMYVGLDDDIDXAP-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000062785018	345239892	/nfs/dbraw/zinc/23/98/92/345239892.db2.gz	AODDCBXIKKVKHL-NSHDSACASA-N	-1	0	292.766	3.293	20	30		CGEDRM
CC(C)c1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)s1	ZINC000594734095	347214989	/nfs/dbraw/zinc/21/49/89/347214989.db2.gz	OIKDYKLTYIUBPH-UHFFFAOYSA-N	-1	0	298.415	3.251	20	30		CGEDRM
Cc1ccsc1-c1ccc(N2CC(C(=O)[O-])C2)c(C#N)c1	ZINC000594871940	347217665	/nfs/dbraw/zinc/21/76/65/347217665.db2.gz	GJEXGNSBIPIUFZ-UHFFFAOYSA-N	-1	0	298.367	3.116	20	30		CGEDRM
N#Cc1cccc(Cl)c1N1CCC(CCC(=O)[O-])CC1	ZINC000595967430	347373429	/nfs/dbraw/zinc/37/34/29/347373429.db2.gz	GUHIDGBIXPHVPW-UHFFFAOYSA-N	-1	0	292.766	3.293	20	30		CGEDRM
N#CC1(CNc2ncc(C(=O)[O-])cc2Cl)CCCCC1	ZINC000595977248	347373479	/nfs/dbraw/zinc/37/34/79/347373479.db2.gz	VYDOZULZMXKHRF-UHFFFAOYSA-N	-1	0	293.754	3.319	20	30		CGEDRM
CC[C@@H](C)n1nc(N=c2[n-]c(C#N)c(Cl)s2)cc1C	ZINC000596186624	347396072	/nfs/dbraw/zinc/39/60/72/347396072.db2.gz	SSTFMBXULBZRIG-SSDOTTSWSA-N	-1	0	295.799	3.310	20	30		CGEDRM
CC(C)C[C@@H]1OCCC[C@@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596197328	347397825	/nfs/dbraw/zinc/39/78/25/347397825.db2.gz	XSJWBZCOWQNWCN-ONGXEEELSA-N	-1	0	299.827	3.096	20	30		CGEDRM
N#CC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CC2(CC2)C1	ZINC000601456651	347895722	/nfs/dbraw/zinc/89/57/22/347895722.db2.gz	SJEVQQQDBWNZSM-UHFFFAOYSA-N	-1	0	294.713	3.207	20	30		CGEDRM
CCc1cc(C#N)c([N-]C(=O)c2ocnc2C(F)F)s1	ZINC000602249367	347943399	/nfs/dbraw/zinc/94/33/99/347943399.db2.gz	UXFUNKFBHWYMQC-UHFFFAOYSA-N	-1	0	297.286	3.360	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(SC)ccc1O	ZINC000620302078	349353015	/nfs/dbraw/zinc/35/30/15/349353015.db2.gz	QOPMZMDDCBMWLP-TXEJJXNPSA-N	-1	0	289.400	3.437	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000899295664	620635552	/nfs/dbraw/zinc/63/55/52/620635552.db2.gz	PJTUYZDCFSUHEC-VXGBXAGGSA-N	-1	0	275.348	3.416	20	30		CGEDRM
Cc1conc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000633922182	351398734	/nfs/dbraw/zinc/39/87/34/351398734.db2.gz	AGHSWPQWNKDGRF-VIFPVBQESA-N	-1	0	275.333	3.053	20	30		CGEDRM
C=CCN1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21	ZINC000635017900	351632946	/nfs/dbraw/zinc/63/29/46/351632946.db2.gz	BPKSHQFDHRHIFT-SNVBAGLBSA-N	-1	0	296.164	3.013	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1O	ZINC000013834227	368668593	/nfs/dbraw/zinc/66/85/93/368668593.db2.gz	PJIBSNKWGMAWBJ-SOFGYWHQSA-N	-1	0	270.284	3.003	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000041518453	369189792	/nfs/dbraw/zinc/18/97/92/369189792.db2.gz	YILYGNSLGYFSHH-SECBINFHSA-N	-1	0	290.369	3.206	20	30		CGEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708806	369296409	/nfs/dbraw/zinc/29/64/09/369296409.db2.gz	DHHYTUFOWSXMEY-UHFFFAOYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
Cc1noc(C)c1[C@@H](C)C/N=C/c1ccccc1O	ZINC000129587974	370995067	/nfs/dbraw/zinc/99/50/67/370995067.db2.gz	YSOTVAPVWVUGSG-JSJZUPIVSA-N	-1	0	258.321	3.220	20	30		CGEDRM
C=CCCCCC[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1	ZINC000150879751	371543898	/nfs/dbraw/zinc/54/38/98/371543898.db2.gz	XNCOXSUDZIRHQD-UHFFFAOYSA-N	-1	0	291.420	3.163	20	30		CGEDRM
Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1F	ZINC000344392478	217179130	/nfs/dbraw/zinc/17/91/30/217179130.db2.gz	QXBUXUIZVOIUPS-XQRVVYSFSA-N	-1	0	282.274	3.269	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2nc(C3CCC3)cs2)cc1[O-]	ZINC000444532732	373198727	/nfs/dbraw/zinc/19/87/27/373198727.db2.gz	VVTACEGZMXZCBJ-UHFFFAOYSA-N	-1	0	299.355	3.240	20	30		CGEDRM
Cc1cscc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1	ZINC000175084594	373406201	/nfs/dbraw/zinc/40/62/01/373406201.db2.gz	RHVPJNRQHHLVLT-JTQLQIEISA-N	-1	0	281.340	3.423	20	30		CGEDRM
CC[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)OC	ZINC000176449600	373596812	/nfs/dbraw/zinc/59/68/12/373596812.db2.gz	OHIDISLUUIMEHW-JFEKIERCSA-N	-1	0	290.146	3.070	20	30		CGEDRM
C=C1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC000514867232	375806307	/nfs/dbraw/zinc/80/63/07/375806307.db2.gz	RRBDJGMJIDEZOK-UHFFFAOYSA-N	-1	0	265.740	3.190	20	30		CGEDRM
N#CC(=C([O-])c1ncsc1C(F)(F)F)c1ccccn1	ZINC000338627698	376452857	/nfs/dbraw/zinc/45/28/57/376452857.db2.gz	RFZNEIDAWIKVBS-SSDOTTSWSA-N	-1	0	297.261	3.047	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000398110624	379927523	/nfs/dbraw/zinc/92/75/23/379927523.db2.gz	YJCSUBQYLPROPT-JSGCOSHPSA-N	-1	0	296.411	3.064	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(F)cc1[O-]	ZINC000398265940	379928388	/nfs/dbraw/zinc/92/83/88/379928388.db2.gz	WECUJYSUJYGYOM-SNVBAGLBSA-N	-1	0	251.301	3.006	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)CCCCCC#N)c1	ZINC000643303590	380268095	/nfs/dbraw/zinc/26/80/95/380268095.db2.gz	QSTLWBOWQVCJON-UHFFFAOYSA-N	-1	0	288.347	3.397	20	30		CGEDRM
CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1C	ZINC000355106774	380575523	/nfs/dbraw/zinc/57/55/23/380575523.db2.gz	PXQFBVRPRMFABU-LBPRGKRZSA-N	-1	0	293.326	3.219	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C\c1ncc(C(=O)[O-])s1	ZINC000357169719	381050826	/nfs/dbraw/zinc/05/08/26/381050826.db2.gz	KSTVBKSRMLMMOR-PLNGDYQASA-N	-1	0	274.276	3.022	20	30		CGEDRM
Cc1ncoc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361524334	381786649	/nfs/dbraw/zinc/78/66/49/381786649.db2.gz	KKCQNMBEVGQNBH-CYBMUJFWSA-N	-1	0	277.283	3.021	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1cc(C(F)(F)F)ccn1	ZINC000362137300	381886442	/nfs/dbraw/zinc/88/64/42/381886442.db2.gz	IHOHWZPUXRALBI-QMMMGPOBSA-N	-1	0	297.261	3.047	20	30		CGEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000733058527	572502843	/nfs/dbraw/zinc/50/28/43/572502843.db2.gz	NVCJHCYTOCQECH-UHFFFAOYSA-N	-1	0	291.457	3.229	20	30		CGEDRM
Cc1cc(C)cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000519989760	392904084	/nfs/dbraw/zinc/90/40/84/392904084.db2.gz	LQNAHGAWZVIYBX-HWKANZROSA-N	-1	0	278.311	3.439	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)CC2(C(=O)[O-])CCC2)CCCC1(C)C	ZINC000668321181	543005974	/nfs/dbraw/zinc/00/59/74/543005974.db2.gz	NZNHBXRVWCSPQE-ZDUSSCGKSA-N	-1	0	293.407	3.225	20	30		CGEDRM
N#C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C1CCCCC1	ZINC000040360311	260221943	/nfs/dbraw/zinc/22/19/43/260221943.db2.gz	LGIOQXAXECYOBX-ZDUSSCGKSA-N	-1	0	292.766	3.248	20	30		CGEDRM
N#CCCCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000080024533	260311153	/nfs/dbraw/zinc/31/11/53/260311153.db2.gz	KMDUIAQGNNFZLM-UHFFFAOYSA-N	-1	0	287.146	3.123	20	30		CGEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1C	ZINC000049513834	260662134	/nfs/dbraw/zinc/66/21/34/260662134.db2.gz	WELHOECTDWWCGQ-UHFFFAOYSA-N	-1	0	295.404	3.271	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000249654294	261256549	/nfs/dbraw/zinc/25/65/49/261256549.db2.gz	ZBEXEZCQUBCFPY-KCQAQPDRSA-N	-1	0	289.375	3.167	20	30		CGEDRM
N#CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCC1	ZINC000184426699	262019862	/nfs/dbraw/zinc/01/98/62/262019862.db2.gz	WYWYNLMZMIQFFX-UHFFFAOYSA-N	-1	0	296.729	3.093	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCC(F)(F)F)c1	ZINC000281695809	263071314	/nfs/dbraw/zinc/07/13/14/263071314.db2.gz	GKVLEGNPUJTWDR-VIZOYTHASA-N	-1	0	276.214	3.062	20	30		CGEDRM
CC(C)(C)c1[n-]n(CCCCF)c(=O)c1CCC#N	ZINC000285075085	263089830	/nfs/dbraw/zinc/08/98/30/263089830.db2.gz	HSTZJEHAORLTSL-UHFFFAOYSA-N	-1	0	267.348	3.092	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@@H](C#N)c1cccc(Cl)c1Cl	ZINC000294059078	263155223	/nfs/dbraw/zinc/15/52/23/263155223.db2.gz	KACMZIJSAWFSBW-QMMMGPOBSA-N	-1	0	293.100	3.329	20	30		CGEDRM
CC(=O)c1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000340855197	263309668	/nfs/dbraw/zinc/30/96/68/263309668.db2.gz	VOPMWPSMJKNZSE-ZDUSSCGKSA-N	-1	0	284.340	3.144	20	30		CGEDRM
CC(C)(C)c1cnc(NC(=O)c2ncccc2[O-])s1	ZINC000331153838	264140118	/nfs/dbraw/zinc/14/01/18/264140118.db2.gz	BCUMSBHSIVUHBS-UHFFFAOYSA-N	-1	0	277.349	3.178	20	30		CGEDRM
C=C[C@H](CC(=O)N[C@@H](CCCC)C(=O)[O-])c1ccccc1	ZINC000191232733	264484683	/nfs/dbraw/zinc/48/46/83/264484683.db2.gz	NMZYYDALZSGQHH-HIFRSBDPSA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#Cc1ccc2c(c1)CCC[C@H]2N=c1[n-]c(C2CCC2)no1	ZINC000521009102	270099724	/nfs/dbraw/zinc/09/97/24/270099724.db2.gz	SDWKPZHUNAWWDJ-OAHLLOKOSA-N	-1	0	294.358	3.120	20	30		CGEDRM
C[C@@H](CCC#N)Sc1n[n-]c(=Nc2ccccc2)s1	ZINC000340648054	328298190	/nfs/dbraw/zinc/29/81/90/328298190.db2.gz	GAJURNMTBRLVAZ-JTQLQIEISA-N	-1	0	290.417	3.488	20	30		CGEDRM
N#CC1(NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCCC1	ZINC000106906758	327246922	/nfs/dbraw/zinc/24/69/22/327246922.db2.gz	WXPZRQLXRVQPCS-UHFFFAOYSA-N	-1	0	299.157	3.265	20	30		CGEDRM
COc1ccsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000171627176	329074752	/nfs/dbraw/zinc/07/47/52/329074752.db2.gz	NDLWHCSIUJZHSR-VIFPVBQESA-N	-1	0	298.323	3.388	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190966482	329403831	/nfs/dbraw/zinc/40/38/31/329403831.db2.gz	IWASBELZAPJLBO-LLVKDONJSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000263170300	330047136	/nfs/dbraw/zinc/04/71/36/330047136.db2.gz	FUFOFFFBGRJDON-RYUDHWBXSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCCCCCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000263407248	330054344	/nfs/dbraw/zinc/05/43/44/330054344.db2.gz	UBCDFTZRQLSAPR-CQSZACIVSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1O	ZINC000119711938	330378924	/nfs/dbraw/zinc/37/89/24/330378924.db2.gz	UEUXJPICBCRGSM-UHFFFAOYSA-N	-1	0	297.354	3.229	20	30		CGEDRM
C=CCn1c(-c2ccc(C)s2)n[n-]c1=NC(C)(C)C	ZINC000463094500	331340104	/nfs/dbraw/zinc/34/01/04/331340104.db2.gz	SWZSYLARWHIBLE-UHFFFAOYSA-N	-1	0	276.409	3.133	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)sc2C)n1	ZINC000178700602	333076921	/nfs/dbraw/zinc/07/69/21/333076921.db2.gz	OXFPPKVJIWZYQC-VIFPVBQESA-N	-1	0	277.374	3.015	20	30		CGEDRM
C=CC[C@H](CC)N=c1[n-]nc(Cc2ccccc2)s1	ZINC000522047038	333231562	/nfs/dbraw/zinc/23/15/62/333231562.db2.gz	QSOKZYNJQFWJBV-ZDUSSCGKSA-N	-1	0	273.405	3.317	20	30		CGEDRM
C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000393725838	333414178	/nfs/dbraw/zinc/41/41/78/333414178.db2.gz	ARJPSXFXNOOHTM-VIFPVBQESA-N	-1	0	264.281	3.060	20	30		CGEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000551927628	334266492	/nfs/dbraw/zinc/26/64/92/334266492.db2.gz	HXDZFRFJYPQGKC-SNVBAGLBSA-N	-1	0	295.298	3.177	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000567970452	334779977	/nfs/dbraw/zinc/77/99/77/334779977.db2.gz	OUBZLPVTAMHBGV-IYXRBSQSSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@H](CC)N=c1[n-]nc(-c2ccccc2)s1	ZINC000577114782	335302532	/nfs/dbraw/zinc/30/25/32/335302532.db2.gz	GZRCPKHBUBNAIV-LBPRGKRZSA-N	-1	0	259.378	3.394	20	30		CGEDRM
CCCN=c1[n-]nc(S[C@@H](C#N)c2ccccc2)s1	ZINC000579252870	335728328	/nfs/dbraw/zinc/72/83/28/335728328.db2.gz	GRDKUIRXXBSWMO-NSHDSACASA-N	-1	0	290.417	3.139	20	30		CGEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354482413	526769162	/nfs/dbraw/zinc/76/91/62/526769162.db2.gz	ZUQHYCGIYMPXQG-SNVBAGLBSA-N	-1	0	285.372	3.326	20	30		CGEDRM
CC(N=Nc1cnccn1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727651268	571759491	/nfs/dbraw/zinc/75/94/91/571759491.db2.gz	QPPHWEGZCZOOMV-UHFFFAOYSA-N	-1	0	297.145	3.325	20	30		CGEDRM
O=C([O-])N1CCc2ccc(N=Cc3ccccc3O)cc2C1	ZINC000740528710	571816236	/nfs/dbraw/zinc/81/62/36/571816236.db2.gz	FLSDFQACHNLMFU-UHFFFAOYSA-N	-1	0	296.326	3.179	20	30		CGEDRM
CN(Cc1ccc(NCc2ccccc2C#N)cc1)C(=O)[O-]	ZINC000737485789	572347196	/nfs/dbraw/zinc/34/71/96/572347196.db2.gz	FZARDYXTMWKZBB-UHFFFAOYSA-N	-1	0	295.342	3.280	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(O)c2)s1	ZINC000730589305	572365013	/nfs/dbraw/zinc/36/50/13/572365013.db2.gz	BJXZXXJAROARGC-SNAWJCMRSA-N	-1	0	274.297	3.048	20	30		CGEDRM
N#Cc1ccc([C@H](Nc2ccc3c(c2)CCC3)C(=O)[O-])cc1	ZINC000739110556	572402796	/nfs/dbraw/zinc/40/27/96/572402796.db2.gz	RAALFTPXJOCKQA-KRWDZBQOSA-N	-1	0	292.338	3.285	20	30		CGEDRM
O=C([O-])CC[C@H](/N=C\c1ccccc1O)c1ccccc1	ZINC000739659178	572422164	/nfs/dbraw/zinc/42/21/64/572422164.db2.gz	JXEOGDCOJGGLSC-BRYHAGSVSA-N	-1	0	283.327	3.417	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NC1CCC(NC(=O)[O-])CC1	ZINC000740313953	572439571	/nfs/dbraw/zinc/43/95/71/572439571.db2.gz	BFRIFXAQADQVJY-UHFFFAOYSA-N	-1	0	293.754	3.202	20	30		CGEDRM
O=C([O-])N(CC/N=C\c1c(O)ccc2ccccc21)C1CC1	ZINC000740489487	572443923	/nfs/dbraw/zinc/44/39/23/572443923.db2.gz	OAKSTNVNYOPPQC-WQRHYEAKSA-N	-1	0	298.342	3.107	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C12CCC2	ZINC000741159763	572485767	/nfs/dbraw/zinc/48/57/67/572485767.db2.gz	OENWDBNKFVLKFS-CQSZACIVSA-N	-1	0	288.347	3.132	20	30		CGEDRM
N#Cc1ccc(CN(Cc2cc(C(=O)[O-])co2)C2CC2)cc1	ZINC000739119338	572493158	/nfs/dbraw/zinc/49/31/58/572493158.db2.gz	ZSKZMXTUGVXFHR-UHFFFAOYSA-N	-1	0	296.326	3.014	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2Cc3ccccc3C2)c1	ZINC000735228811	572706692	/nfs/dbraw/zinc/70/66/92/572706692.db2.gz	IRRLLKRLKCKFSV-WOJGMQOQSA-N	-1	0	296.326	3.134	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000736097414	572769017	/nfs/dbraw/zinc/76/90/17/572769017.db2.gz	KWCYBMBDWZEUGW-UHFFFAOYSA-N	-1	0	291.351	3.231	20	30		CGEDRM
CC[C@@H](Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-]	ZINC000736926210	572826053	/nfs/dbraw/zinc/82/60/53/572826053.db2.gz	ZYYYDXZRQWFKQB-WDEREUQCSA-N	-1	0	278.377	3.213	20	30		CGEDRM
C=CCOc1cccc(CNc2cccc(CC(=O)[O-])c2)c1	ZINC000817685759	597137473	/nfs/dbraw/zinc/13/74/73/597137473.db2.gz	DUJUMCYYXXDBKX-UHFFFAOYSA-N	-1	0	297.354	3.491	20	30		CGEDRM
C#Cc1cccc(N(CC)C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000236799484	599913625	/nfs/dbraw/zinc/91/36/25/599913625.db2.gz	YKFUJSGBSNHJJP-UHFFFAOYSA-N	-1	0	293.322	3.033	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc(CNC(=O)[O-])cc1	ZINC000140355902	600313684	/nfs/dbraw/zinc/31/36/84/600313684.db2.gz	XUJZBBOKHNOPMZ-UHFFFAOYSA-N	-1	0	285.278	3.209	20	30		CGEDRM
N#Cc1cc(F)ccc1NCCc1ccc(NC(=O)[O-])cc1	ZINC000833069606	600815392	/nfs/dbraw/zinc/81/53/92/600815392.db2.gz	ICSOOSFFTOSCIZ-UHFFFAOYSA-N	-1	0	299.305	3.442	20	30		CGEDRM
C/C(=C/CN(CC(C)C)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000825729321	601159410	/nfs/dbraw/zinc/15/94/10/601159410.db2.gz	CVIMNYYOLRWBHO-JYRVWZFOSA-N	-1	0	272.348	3.052	20	30		CGEDRM
COc1ccc(O)c(C=Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC000832425179	601177436	/nfs/dbraw/zinc/17/74/36/601177436.db2.gz	QHFLALYDOQLCIQ-UHFFFAOYSA-N	-1	0	285.299	3.158	20	30		CGEDRM
N#Cc1nc(Oc2cccc(CC(=O)[O-])c2)ccc1Cl	ZINC000833079675	601252514	/nfs/dbraw/zinc/25/25/14/601252514.db2.gz	YTPDQJXFSAVUHT-UHFFFAOYSA-N	-1	0	288.690	3.026	20	30		CGEDRM
CCCCC[C@H](/N=C/c1cccc(OCC)c1O)C(=O)[O-]	ZINC000829311398	601365374	/nfs/dbraw/zinc/36/53/74/601365374.db2.gz	FHLCYPJLWYFGLT-HNEYUBDGSA-N	-1	0	293.363	3.243	20	30		CGEDRM
CCCCC[C@H](/N=C/c1ccc(OCC)cc1O)C(=O)[O-]	ZINC000829312753	601365860	/nfs/dbraw/zinc/36/58/60/601365860.db2.gz	ZZHQPVCMYLFHIA-MPMPPSQCSA-N	-1	0	293.363	3.243	20	30		CGEDRM
CC(C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)=C1CCCC1	ZINC000826061138	601567840	/nfs/dbraw/zinc/56/78/40/601567840.db2.gz	AIPBJPQARLCJPY-HNNXBMFYSA-N	-1	0	299.326	3.118	20	30		CGEDRM
CCCCCCCCCC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000111252383	601710627	/nfs/dbraw/zinc/71/06/27/601710627.db2.gz	LBKGVYFDMXWBHH-KBPBESRZSA-N	-1	0	283.412	3.306	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)c[nH]1	ZINC000833092973	601792409	/nfs/dbraw/zinc/79/24/09/601792409.db2.gz	QGTLGOQCAOAEMF-DAFODLJHSA-N	-1	0	293.681	3.402	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)[O-])c1ccccc1	ZINC000825664484	602283351	/nfs/dbraw/zinc/28/33/51/602283351.db2.gz	BANMGQVLEOFJOK-CQSZACIVSA-N	-1	0	274.316	3.124	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000825664927	602283586	/nfs/dbraw/zinc/28/35/86/602283586.db2.gz	QHALIDSCAGFRCR-UHFFFAOYSA-N	-1	0	274.316	3.196	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823490592	603387506	/nfs/dbraw/zinc/38/75/06/603387506.db2.gz	GYTOGXPUGLYRHX-QWRGUYRKSA-N	-1	0	291.351	3.101	20	30		CGEDRM
CC(=NNc1cc(F)cc(F)c1)c1ccc(C(=O)[O-])cc1	ZINC000825804244	604638763	/nfs/dbraw/zinc/63/87/63/604638763.db2.gz	BOTLBTDFIQLBGZ-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CN(C(=O)[O-])c1ccc(NCc2ccc(C#N)cc2F)cc1	ZINC000830519739	604803703	/nfs/dbraw/zinc/80/37/03/604803703.db2.gz	UYDVAJNFDYDVKN-UHFFFAOYSA-N	-1	0	299.305	3.424	20	30		CGEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21	ZINC000828410389	604961175	/nfs/dbraw/zinc/96/11/75/604961175.db2.gz	AXCAOYASADYQQR-SJKOYZFVSA-N	-1	0	292.338	3.308	20	30		CGEDRM
C=C(Cl)CN(CC(=O)[O-])[C@H](CC)c1ccccc1	ZINC000833370767	604989253	/nfs/dbraw/zinc/98/92/53/604989253.db2.gz	SPOFPOZLHBMRGZ-CYBMUJFWSA-N	-1	0	267.756	3.277	20	30		CGEDRM
C=C(CC)CSCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833369789	605009270	/nfs/dbraw/zinc/00/92/70/605009270.db2.gz	FGVXVKZJFVKVST-UHFFFAOYSA-N	-1	0	293.388	3.331	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833374315	605021737	/nfs/dbraw/zinc/02/17/37/605021737.db2.gz	XOWMECJRPUBCPA-JTQLQIEISA-N	-1	0	280.295	3.426	20	30		CGEDRM
CCc1noc(C)c1C(C)=NNc1ccccc1C(=O)[O-]	ZINC000769795890	605098926	/nfs/dbraw/zinc/09/89/26/605098926.db2.gz	CHOAZSFVPNFGBM-UHFFFAOYSA-N	-1	0	287.319	3.080	20	30		CGEDRM
C=CCC[C@H](Nc1cncc(C(=O)[O-])n1)c1ccccc1	ZINC000833373244	605192092	/nfs/dbraw/zinc/19/20/92/605192092.db2.gz	IRWWAFPRCJALTH-ZDUSSCGKSA-N	-1	0	283.331	3.294	20	30		CGEDRM
O=C(/C=C\c1cnn(C2CCC2)c1)c1c([O-])cccc1F	ZINC000899389498	620686170	/nfs/dbraw/zinc/68/61/70/620686170.db2.gz	LMSQRMMGLKJCKU-FPLPWBNLSA-N	-1	0	286.306	3.349	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(F)ccc1O	ZINC000833387014	605593780	/nfs/dbraw/zinc/59/37/80/605593780.db2.gz	JTMBYTYYEHBSEO-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000833361642	605602466	/nfs/dbraw/zinc/60/24/66/605602466.db2.gz	FTDDNTQVNUJXGH-UHFFFAOYSA-N	-1	0	273.332	3.215	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000899854248	620731894	/nfs/dbraw/zinc/73/18/94/620731894.db2.gz	HSCAREBEMULADU-ZIAGYGMSSA-N	-1	0	273.332	3.159	20	30		CGEDRM
C=CC(C)(C)NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000899854206	620732032	/nfs/dbraw/zinc/73/20/32/620732032.db2.gz	GYUNHAHGGIBDSH-MRXNPFEDSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000049501818	617611253	/nfs/dbraw/zinc/61/12/53/617611253.db2.gz	QENVHUGZDHNATF-UHFFFAOYSA-N	-1	0	275.395	3.200	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1ccccc1CC)C(=O)[O-]	ZINC000900322569	620781355	/nfs/dbraw/zinc/78/13/55/620781355.db2.gz	MHXXRPFZDORMGT-CQSZACIVSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(CCC)[C@H](C)C(=O)[O-])c1	ZINC000900355341	620781893	/nfs/dbraw/zinc/78/18/93/620781893.db2.gz	LQWPQMDMZSBCAK-GFCCVEGCSA-N	-1	0	290.363	3.437	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1cc([O-])ccc1[N+](=O)[O-])C2	ZINC000157312282	618206301	/nfs/dbraw/zinc/20/63/01/618206301.db2.gz	QIKNCNLHCHISEP-JYRVWZFOSA-N	-1	0	295.294	3.431	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000255622854	618766113	/nfs/dbraw/zinc/76/61/13/618766113.db2.gz	NPHXTOHXGLRIRP-ALCCZGGFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(Cl)sc2C)n1	ZINC000892418901	618767652	/nfs/dbraw/zinc/76/76/52/618767652.db2.gz	WRWIEXCAJHZYPA-SSDOTTSWSA-N	-1	0	297.792	3.360	20	30		CGEDRM
Cc1ncsc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000255895140	618866005	/nfs/dbraw/zinc/86/60/05/618866005.db2.gz	YZMYABXGJHDIDV-WAYWQWQTSA-N	-1	0	259.330	3.362	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000164593922	618894773	/nfs/dbraw/zinc/89/47/73/618894773.db2.gz	KKAXVCPRPZVBBX-IUODEOHRSA-N	-1	0	269.385	3.107	20	30		CGEDRM
C=C(C)CNC(=S)[N-]c1ccccc1SC	ZINC000006333723	619258622	/nfs/dbraw/zinc/25/86/22/619258622.db2.gz	HGUJVOXCOZDDPV-UHFFFAOYSA-N	-1	0	252.408	3.271	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000232925465	619293769	/nfs/dbraw/zinc/29/37/69/619293769.db2.gz	YKYMOVGMNLUZOQ-GXTWGEPZSA-N	-1	0	269.385	3.059	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1cc(F)cc(F)c1[O-]	ZINC000894003726	619350523	/nfs/dbraw/zinc/35/05/23/619350523.db2.gz	PGEBUKRKQOFQHK-UHFFFAOYSA-N	-1	0	282.334	3.432	20	30		CGEDRM
C[C@H]1C(N=Nc2ccccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814790477	619424163	/nfs/dbraw/zinc/42/41/63/619424163.db2.gz	UKRAODJODUTSFK-ZJUUUORDSA-N	-1	0	264.300	3.114	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000078264422	620385260	/nfs/dbraw/zinc/38/52/60/620385260.db2.gz	LHAADTVBJVRIFC-NSHDSACASA-N	-1	0	269.366	3.076	20	30		CGEDRM
CS[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000901118085	620834061	/nfs/dbraw/zinc/83/40/61/620834061.db2.gz	FOXKQKPWFDAOTN-ZDUSSCGKSA-N	-1	0	278.377	3.458	20	30		CGEDRM
Cc1c(NN=Cc2ccnn2C2CCC2)cccc1C(=O)[O-]	ZINC000901261806	620849428	/nfs/dbraw/zinc/84/94/28/620849428.db2.gz	PHADSMNOVISZLE-UHFFFAOYSA-N	-1	0	298.346	3.061	20	30		CGEDRM
CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc(O)c(Cl)c1	ZINC000901305318	620851962	/nfs/dbraw/zinc/85/19/62/620851962.db2.gz	CBFLXVUQFUGSKL-NXEZZACHSA-N	-1	0	296.798	3.315	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000902014409	621100075	/nfs/dbraw/zinc/10/00/75/621100075.db2.gz	FDEAVWQPGWFENB-UONOGXRCSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C(C)Cn1[n-]c(-c2ccc(Br)s2)cc1=O	ZINC000905019131	622028654	/nfs/dbraw/zinc/02/86/54/622028654.db2.gz	CMENEQDHMGFSSG-UHFFFAOYSA-N	-1	0	299.193	3.023	20	30		CGEDRM
C=C1CCC(C(=O)N2CCc3c2cccc3C(=O)[O-])CC1	ZINC000907982227	622322280	/nfs/dbraw/zinc/32/22/80/622322280.db2.gz	KVEGQOSBIAHADP-UHFFFAOYSA-N	-1	0	285.343	3.020	20	30		CGEDRM
C=CCC(C)(C)C(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908332850	622342220	/nfs/dbraw/zinc/34/22/20/622342220.db2.gz	MFTYKYVMAKTKKO-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000909099446	622392701	/nfs/dbraw/zinc/39/27/01/622392701.db2.gz	IOVRPZZXMCDLLI-JXMROGBWSA-N	-1	0	273.332	3.325	20	30		CGEDRM
CCCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000910193003	622466420	/nfs/dbraw/zinc/46/64/20/622466420.db2.gz	ZXZAXPNHEWYLQS-UHFFFAOYSA-N	-1	0	295.423	3.498	20	30		CGEDRM
O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc(F)ccc1[O-]	ZINC000156668670	622832426	/nfs/dbraw/zinc/83/24/26/622832426.db2.gz	MYMQVSMQJFXXHU-HNQUOIGGSA-N	-1	0	293.275	3.397	20	30		CGEDRM
Cc1noc(C)c1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000156672173	622832558	/nfs/dbraw/zinc/83/25/58/622832558.db2.gz	HRBCGKBLNTVVSV-GQCTYLIASA-N	-1	0	261.252	3.032	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccsc2)c1	ZINC000046102098	622916678	/nfs/dbraw/zinc/91/66/78/622916678.db2.gz	MLDGDDUPFLBVQF-RIYZIHGNSA-N	-1	0	276.317	3.024	20	30		CGEDRM
CCCCCCCC(=O)N[C@@](C)(CCC)C(=O)[O-]	ZINC000059382726	623006331	/nfs/dbraw/zinc/00/63/31/623006331.db2.gz	JNKVDVXNFHCWFQ-AWEZNQCLSA-N	-1	0	257.374	3.107	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000915106193	623895752	/nfs/dbraw/zinc/89/57/52/623895752.db2.gz	NIDRQJCSWSAQNB-WDZFZDKYSA-N	-1	0	296.322	3.218	20	30		CGEDRM
Cc1ccc(C)c(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000916240426	624123612	/nfs/dbraw/zinc/12/36/12/624123612.db2.gz	BXDTWBFEOUOXRG-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C1(C#N)CCCCC1	ZINC000920025504	624439137	/nfs/dbraw/zinc/43/91/37/624439137.db2.gz	SFRBOGXHSQHSAE-UHFFFAOYSA-N	-1	0	286.331	3.106	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(F)c(F)c2)c1	ZINC000920387538	624489635	/nfs/dbraw/zinc/48/96/35/624489635.db2.gz	REAZTXMHSRFXNL-CAOOACKPSA-N	-1	0	292.241	3.198	20	30		CGEDRM
O=C([O-])c1ccc(NN=C2CCc3c2cccc3F)cc1	ZINC000921252990	624575653	/nfs/dbraw/zinc/57/56/53/624575653.db2.gz	HWLSDGBDFVIXCX-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1	ZINC000091127205	625824519	/nfs/dbraw/zinc/82/45/19/625824519.db2.gz	VPERHEOXSIZFIL-UHFFFAOYSA-N	-1	0	299.392	3.309	20	30		CGEDRM
Cc1ccc(C(=O)/C=C2/COc3ccc(F)cc32)c([O-])c1	ZINC000757474455	626781741	/nfs/dbraw/zinc/78/17/41/626781741.db2.gz	BKSYKDAPQPNHPE-XFFZJAGNSA-N	-1	0	284.286	3.498	20	30		CGEDRM
CC(=NNc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758089949	626826440	/nfs/dbraw/zinc/82/64/40/626826440.db2.gz	MIDCPYVHGDOZPY-UHFFFAOYSA-N	-1	0	271.276	3.137	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000759088508	626873549	/nfs/dbraw/zinc/87/35/49/626873549.db2.gz	AUNROGGSSZBXDD-XQRVVYSFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CC=CC2)c1[O-]	ZINC000759644487	626911235	/nfs/dbraw/zinc/91/12/35/626911235.db2.gz	UKQAQEBZHBOKBR-AUWJEWJLSA-N	-1	0	266.684	3.091	20	30		CGEDRM
Cc1ccccc1NCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759720634	626917378	/nfs/dbraw/zinc/91/73/78/626917378.db2.gz	PNQBVNPNABHIGS-UHFFFAOYSA-N	-1	0	295.342	3.013	20	30		CGEDRM
Cc1cc(C)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)[nH]1	ZINC000760220029	626945214	/nfs/dbraw/zinc/94/52/14/626945214.db2.gz	XNTVBHMQXPSSFQ-UHFFFAOYSA-N	-1	0	291.738	3.429	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)cs2)c1	ZINC000760471565	626973009	/nfs/dbraw/zinc/97/30/09/626973009.db2.gz	MCLGLYJHWRCUMH-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
CC(C)c1cccc(C(=O)Nc2cc(C#N)ccc2[O-])n1	ZINC000762550926	627115325	/nfs/dbraw/zinc/11/53/25/627115325.db2.gz	UCZCGKMBJZTTEZ-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
Cc1ccccc1CC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367965	627154296	/nfs/dbraw/zinc/15/42/96/627154296.db2.gz	JOVBEVNVAGPJQT-UHFFFAOYSA-N	-1	0	283.331	3.119	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2cccc3ccccc32)nc1	ZINC000763369763	627154346	/nfs/dbraw/zinc/15/43/46/627154346.db2.gz	IXTCIXDLXIFPLG-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CC(C)O[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C1(C)C	ZINC000764892254	627232240	/nfs/dbraw/zinc/23/22/40/627232240.db2.gz	UOUSFDBTZMERQF-CQSZACIVSA-N	-1	0	290.363	3.376	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccc(F)cc2)c1	ZINC000765824386	627274379	/nfs/dbraw/zinc/27/43/79/627274379.db2.gz	LZVHVHHCIUTVRC-AATRIKPKSA-N	-1	0	276.288	3.482	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1cccnn1	ZINC000766284948	627312662	/nfs/dbraw/zinc/31/26/62/627312662.db2.gz	ZIBMLHWUUGDDHU-GIDUJCDVSA-N	-1	0	282.130	3.108	20	30		CGEDRM
O=C([O-])c1ccccc1N=NCC1Cc2ccccc2C1	ZINC000766429980	627330624	/nfs/dbraw/zinc/33/06/24/627330624.db2.gz	GYROZPYUJUNSGG-UHFFFAOYSA-N	-1	0	280.327	3.198	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(C#N)c(C)c2)c([O-])c1	ZINC000766489346	627336916	/nfs/dbraw/zinc/33/69/16/627336916.db2.gz	CQYPEQRJIFNLQO-XBXARRHUSA-N	-1	0	293.322	3.477	20	30		CGEDRM
CC(=NN=c1[nH]c2ccccc2[nH]1)c1sccc1[O-]	ZINC000769763097	627576803	/nfs/dbraw/zinc/57/68/03/627576803.db2.gz	KDTYQLCAGZXGJT-UHFFFAOYSA-N	-1	0	272.333	3.166	20	30		CGEDRM
Cc1cccc(F)c1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000769840024	627583343	/nfs/dbraw/zinc/58/33/43/627583343.db2.gz	GYMWLMIQEHGMJV-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CC1(C)CCCC[C@H]1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000773126965	627860619	/nfs/dbraw/zinc/86/06/19/627860619.db2.gz	XENWNWDZIJVDEO-CQSZACIVSA-N	-1	0	291.351	3.193	20	30		CGEDRM
Cc1cccc2ncc(C=CC(=O)c3sccc3[O-])n21	ZINC000773151607	627863277	/nfs/dbraw/zinc/86/32/77/627863277.db2.gz	XDUMQBOOQRWMGJ-WAYWQWQTSA-N	-1	0	284.340	3.306	20	30		CGEDRM
CCC[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccn1	ZINC000774083443	627943830	/nfs/dbraw/zinc/94/38/30/627943830.db2.gz	WBORPBXEPQCLBJ-ZDUSSCGKSA-N	-1	0	295.342	3.181	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1	ZINC000775646182	628119131	/nfs/dbraw/zinc/11/91/31/628119131.db2.gz	HOCRGJHSNAWRDG-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccnc(Cl)c2)cc1	ZINC000779460777	628414717	/nfs/dbraw/zinc/41/47/17/628414717.db2.gz	SUGOHBOTDSCNRH-UTCJRWHESA-N	-1	0	287.702	3.329	20	30		CGEDRM
CC[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000779783121	628429987	/nfs/dbraw/zinc/42/99/87/628429987.db2.gz	LCVSITYPGKQRBB-SNVBAGLBSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC1(C)CC(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000780149187	628457162	/nfs/dbraw/zinc/45/71/62/628457162.db2.gz	UNXRAKWCEYYHPS-OQLLNIDSSA-N	-1	0	262.309	3.156	20	30		CGEDRM
O=C(/C=C\c1cncnc1)c1ccc2ccccc2c1[O-]	ZINC000781111939	628537164	/nfs/dbraw/zinc/53/71/64/628537164.db2.gz	RZUGTWSNTQKDSM-YVMONPNESA-N	-1	0	276.295	3.232	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccnc(Cl)c2)c1	ZINC000782207824	628624800	/nfs/dbraw/zinc/62/48/00/628624800.db2.gz	SBVJBYDVFMVTAJ-UPHRSURJSA-N	-1	0	293.731	3.391	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2ccc(O)cc2[O-])s1	ZINC000783711184	628742233	/nfs/dbraw/zinc/74/22/33/628742233.db2.gz	VDPRWADOHMPWJM-WAYWQWQTSA-N	-1	0	275.329	3.013	20	30		CGEDRM
Cc1ccc2nc(C=CC(=O)c3sccc3[O-])cn2c1	ZINC000789147011	629108017	/nfs/dbraw/zinc/10/80/17/629108017.db2.gz	FEVBWHNLHAYXDK-ONEGZZNKSA-N	-1	0	284.340	3.306	20	30		CGEDRM
CC[C@H](NN=C(C)c1cc(Cl)sc1Cl)C(=O)[O-]	ZINC000793055712	629406647	/nfs/dbraw/zinc/40/66/47/629406647.db2.gz	BREFBVQUFJYCKS-ZETCQYMHSA-N	-1	0	295.191	3.232	20	30		CGEDRM
CC[C@@H](C)c1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1	ZINC000863068068	629466304	/nfs/dbraw/zinc/46/63/04/629466304.db2.gz	WNFZOPHJKWXZFH-SNVBAGLBSA-N	-1	0	299.378	3.235	20	30		CGEDRM
O=C([O-])Cc1ccc(/C=C/C(=O)C2CCCCC2)cc1	ZINC000863180704	629490019	/nfs/dbraw/zinc/49/00/19/629490019.db2.gz	HOHHSKJYOGHHAV-ZHACJKMWSA-N	-1	0	272.344	3.476	20	30		CGEDRM
CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736423	629499304	/nfs/dbraw/zinc/49/93/04/629499304.db2.gz	WLWBIHSCCKSIQP-STQMWFEESA-N	-1	0	272.348	3.419	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)/C=C/C1CCCCCC1)C(=O)[O-]	ZINC000864186401	629795150	/nfs/dbraw/zinc/79/51/50/629795150.db2.gz	OMQUWTZZYSVGSU-XEHSLEBBSA-N	-1	0	299.798	3.225	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000864186842	629795231	/nfs/dbraw/zinc/79/52/31/629795231.db2.gz	YMDZUTUYTJKFTP-LBPRGKRZSA-N	-1	0	299.798	3.225	20	30		CGEDRM
CO[C@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000864346334	629814920	/nfs/dbraw/zinc/81/49/20/629814920.db2.gz	TVDPWICCSCWIJW-GGZJZYSASA-N	-1	0	274.147	3.295	20	30		CGEDRM
COc1ccccc1CON=C(C)c1ccc(C(=O)[O-])cc1	ZINC000799117215	630145794	/nfs/dbraw/zinc/14/57/94/630145794.db2.gz	GOOQQWIJKFDZLK-UHFFFAOYSA-N	-1	0	299.326	3.334	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)oc1C	ZINC000799898224	630241720	/nfs/dbraw/zinc/24/17/20/630241720.db2.gz	WWJZATDNLNBOLL-VOTSOKGWSA-N	-1	0	270.284	3.491	20	30		CGEDRM
Cc1[nH]c(CN=Nc2c(F)cccc2Cl)cc1C(=O)[O-]	ZINC000800815556	630301746	/nfs/dbraw/zinc/30/17/46/630301746.db2.gz	DZVJCXNQNOROPV-UHFFFAOYSA-N	-1	0	295.701	3.260	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c[nH]c(C(F)(F)F)c2)cc1	ZINC000807938947	630607973	/nfs/dbraw/zinc/60/79/73/630607973.db2.gz	KEAVQDPSCIMMMS-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000811628408	631094224	/nfs/dbraw/zinc/09/42/24/631094224.db2.gz	WUMAUEKOONYOMR-HUUCEWRRSA-N	-1	0	293.407	3.296	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C1\Oc2cc([O-])ccc2C1=O	ZINC000811688815	631109776	/nfs/dbraw/zinc/10/97/76/631109776.db2.gz	SCQKWYWISXSUNM-UUASQNMZSA-N	-1	0	281.242	3.019	20	30		CGEDRM
N#Cc1c(F)cccc1C=CC(=O)c1sccc1[O-]	ZINC000811694957	631110992	/nfs/dbraw/zinc/11/09/92/631110992.db2.gz	YEQBBLXIDIQOIN-PLNGDYQASA-N	-1	0	273.288	3.361	20	30		CGEDRM
COc1ccc(F)cc1/C=C\C(=O)c1ccccc1[O-]	ZINC000812243461	631230817	/nfs/dbraw/zinc/23/08/17/631230817.db2.gz	MSQIMQZKVVOWQZ-VURMDHGXSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(C)ccc1O	ZINC000812444947	631261868	/nfs/dbraw/zinc/26/18/68/631261868.db2.gz	PVQBRAKGLFTJIY-UHFFFAOYSA-N	-1	0	284.315	3.235	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl	ZINC000837046134	634846874	/nfs/dbraw/zinc/84/68/74/634846874.db2.gz	FCDJMSFTYWYLHN-MRVPVSSYSA-N	-1	0	274.147	3.331	20	30		CGEDRM
CC(=NOCCC1CC1)c1cc(C(=O)[O-])ccc1C	ZINC000814246452	631560641	/nfs/dbraw/zinc/56/06/41/631560641.db2.gz	NLANJYAMPIBLPJ-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
Cc1cc(=O)[nH]c(CN[C@@H](CCCC#N)c2ccccc2)n1	ZINC000814659485	631617581	/nfs/dbraw/zinc/61/75/81/631617581.db2.gz	OGWOVRIJAQVTJT-HNNXBMFYSA-N	-1	0	296.374	3.015	20	30		CGEDRM
CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)cn1	ZINC000814680823	631620100	/nfs/dbraw/zinc/62/01/00/631620100.db2.gz	KDKPQRYTJLTHCA-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
CCc1nocc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814689859	631623717	/nfs/dbraw/zinc/62/37/17/631623717.db2.gz	JCOLWROSWKILIW-UHFFFAOYSA-N	-1	0	293.710	3.035	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2ccnc3cc(Cl)ccc23)C1	ZINC000814694179	631625168	/nfs/dbraw/zinc/62/51/68/631625168.db2.gz	YXCIHGKDTPSKGX-UHFFFAOYSA-N	-1	0	289.722	3.151	20	30		CGEDRM
[O-]c1cccc(C=Nn2cnnc2-c2ccccc2)c1Cl	ZINC000814779455	631638146	/nfs/dbraw/zinc/63/81/46/631638146.db2.gz	MYEIPCPVWJXTNH-UHFFFAOYSA-N	-1	0	298.733	3.186	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1cccc(Cl)c1	ZINC000814867600	631658983	/nfs/dbraw/zinc/65/89/83/631658983.db2.gz	LDRPWDPUASPYBO-ZYHUDNBSSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@H]1C(=NNCc2ccc(Cl)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814873223	631660786	/nfs/dbraw/zinc/66/07/86/631660786.db2.gz	RYHALDPFGCUXEU-PWSUYJOCSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@H]1C(=NNCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814887698	631665605	/nfs/dbraw/zinc/66/56/05/631665605.db2.gz	KVUKNIQIFWXKPC-GXTWGEPZSA-N	-1	0	288.391	3.289	20	30		CGEDRM
CSc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000814890017	631666610	/nfs/dbraw/zinc/66/66/10/631666610.db2.gz	GGUGCHGWMOHZAN-UHFFFAOYSA-N	-1	0	293.373	3.009	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCC1CCCC1	ZINC000814933217	631688391	/nfs/dbraw/zinc/68/83/91/631688391.db2.gz	IAIKTLDTKYSITR-UHFFFAOYSA-N	-1	0	274.364	3.115	20	30		CGEDRM
CC(=NOC/C=C\Cl)[C@H](C)CCCCC(=O)[O-]	ZINC000814934655	631689369	/nfs/dbraw/zinc/68/93/69/631689369.db2.gz	XPTFHSNUMADTDA-UTZCNFTBSA-N	-1	0	261.749	3.413	20	30		CGEDRM
CC(=NOCCC1CC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814941654	631694569	/nfs/dbraw/zinc/69/45/69/631694569.db2.gz	PPRRKJSDJYVOSW-OLZOCXBDSA-N	-1	0	267.369	3.316	20	30		CGEDRM
C[C@H]1C(=NOCCC2CC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814941606	631694848	/nfs/dbraw/zinc/69/48/48/631694848.db2.gz	NOBACPLZQAJIQD-CMPLNLGQSA-N	-1	0	267.369	3.316	20	30		CGEDRM
C[C@@]1(C#N)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816567592	632015122	/nfs/dbraw/zinc/01/51/22/632015122.db2.gz	GOJPVTMZIXVHPE-AWEZNQCLSA-N	-1	0	282.746	3.310	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@@H]2CCCO2)n1	ZINC000820184360	632584007	/nfs/dbraw/zinc/58/40/07/632584007.db2.gz	OIIUFJXPEVIJHB-CYLBZQBVSA-N	-1	0	290.388	3.178	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc3oncc3c2)cs1	ZINC000821040152	632716163	/nfs/dbraw/zinc/71/61/63/632716163.db2.gz	WDROKLIBFZFSPC-IWQZZHSRSA-N	-1	0	299.307	3.484	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000822310355	632900358	/nfs/dbraw/zinc/90/03/58/632900358.db2.gz	NILXREYVGKBQSR-MRVPVSSYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
COc1cc(C(=O)/C=C/c2ccccc2C#N)ccc1O	ZINC000120818247	632955593	/nfs/dbraw/zinc/95/55/93/632955593.db2.gz	FTTBRVAPYVPLFN-SOFGYWHQSA-N	-1	0	279.295	3.169	20	30		CGEDRM
COc1cc(C(=O)/C=C/c2ccc(O)c(F)c2)ccc1O	ZINC000120817779	632956640	/nfs/dbraw/zinc/95/66/40/632956640.db2.gz	LAOSQHCIQYSEFI-GORDUTHDSA-N	-1	0	288.274	3.142	20	30		CGEDRM
C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C#N)c1[O-]	ZINC000866357426	633099074	/nfs/dbraw/zinc/09/90/74/633099074.db2.gz	DOSCVTIVKBEQGP-AMIZOPFISA-N	-1	0	284.281	3.255	20	30		CGEDRM
O=C(C#Cc1ccccc1)Nc1ccc2[n-]c(=S)oc2c1	ZINC000121122418	633204900	/nfs/dbraw/zinc/20/49/00/633204900.db2.gz	PZMGOJMOVVYUOB-UHFFFAOYSA-N	-1	0	294.335	3.107	20	30		CGEDRM
CC(C)(CN=Nc1ccccc1C(=O)[O-])[C@H]1CCCCO1	ZINC000872337812	634111031	/nfs/dbraw/zinc/11/10/31/634111031.db2.gz	HMRALNKBLYDZHF-CQSZACIVSA-N	-1	0	290.363	3.378	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCC(F)(F)C1	ZINC000872360278	634117609	/nfs/dbraw/zinc/11/76/09/634117609.db2.gz	HCWQBDGXKZWSMP-SECBINFHSA-N	-1	0	298.289	3.227	20	30		CGEDRM
C[C@@H]1CC[C@H](CN=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835007878	634312626	/nfs/dbraw/zinc/31/26/26/634312626.db2.gz	AXORKLRCGBWDEO-ZJUUUORDSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC(CC1CC1)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010290	634314989	/nfs/dbraw/zinc/31/49/89/634314989.db2.gz	WJZIIFPBPSOALW-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C=CCON=C(C)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000835014210	634316643	/nfs/dbraw/zinc/31/66/43/634316643.db2.gz	CNKNLNWMPWSRLG-ZDUSSCGKSA-N	-1	0	291.347	3.050	20	30		CGEDRM
C=CCON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000835015149	634317582	/nfs/dbraw/zinc/31/75/82/634317582.db2.gz	PNHZNODSTIIHPQ-UHFFFAOYSA-N	-1	0	279.723	3.015	20	30		CGEDRM
CCCCCCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000104148994	635114619	/nfs/dbraw/zinc/11/46/19/635114619.db2.gz	BGNVHQUYTUYXRS-KGLIPLIRSA-N	-1	0	281.396	3.130	20	30		CGEDRM
CC(=O)CCCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000127138580	635522327	/nfs/dbraw/zinc/52/23/27/635522327.db2.gz	IQZUBQUDRUTZRA-UHFFFAOYSA-N	-1	0	288.347	3.132	20	30		CGEDRM
CCSCCCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844623007	635944819	/nfs/dbraw/zinc/94/48/19/635944819.db2.gz	GWFAZAHHDGDCGT-UHFFFAOYSA-N	-1	0	266.366	3.234	20	30		CGEDRM
COC1(CC(C)N=Nc2cccc(C(=O)[O-])c2C)CCC1	ZINC000844624377	635945531	/nfs/dbraw/zinc/94/55/31/635945531.db2.gz	XAFZHHMGGIHFRS-UHFFFAOYSA-N	-1	0	290.363	3.440	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc(C)cc2[O-])ccc1O	ZINC000211061819	636029965	/nfs/dbraw/zinc/02/99/65/636029965.db2.gz	CRUFGTNYYOSDDT-DAXSKMNVSA-N	-1	0	284.311	3.311	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(Cl)c2)CCC1	ZINC000846536893	636194990	/nfs/dbraw/zinc/19/49/90/636194990.db2.gz	AIVCMPBNICEGNJ-UHFFFAOYSA-N	-1	0	279.767	3.386	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccccc1Cl	ZINC000846541528	636196546	/nfs/dbraw/zinc/19/65/46/636196546.db2.gz	IKFAUSUYADEHMN-VIFPVBQESA-N	-1	0	271.769	3.054	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(C)cc2)CCC1	ZINC000846554588	636202059	/nfs/dbraw/zinc/20/20/59/636202059.db2.gz	MDFWTTPLVRGKDW-CYBMUJFWSA-N	-1	0	259.349	3.039	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccc(F)c2)c([O-])c1	ZINC000212168237	636297525	/nfs/dbraw/zinc/29/75/25/636297525.db2.gz	IFNNCAAKVAHMIM-YVMONPNESA-N	-1	0	272.275	3.436	20	30		CGEDRM
CC(CC1CCC1)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415767	636571608	/nfs/dbraw/zinc/57/16/08/636571608.db2.gz	PQCNTMRVODBEIV-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(CC(=O)[O-])cc2)o1	ZINC000848416047	636571711	/nfs/dbraw/zinc/57/17/11/636571711.db2.gz	XBHIOVAZFHYWLE-XHDPSFHLSA-N	-1	0	298.342	3.476	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000027123211	636623738	/nfs/dbraw/zinc/62/37/38/636623738.db2.gz	DHBXULWZWZUONT-QPJJXVBHSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1(C)C	ZINC000086055939	636781482	/nfs/dbraw/zinc/78/14/82/636781482.db2.gz	WIEKWOKRSGPNCY-OLZOCXBDSA-N	-1	0	299.436	3.454	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000028538181	636815917	/nfs/dbraw/zinc/81/59/17/636815917.db2.gz	LHNVJDSMOOXLJJ-OAHLLOKOSA-N	-1	0	277.364	3.289	20	30		CGEDRM
N#Cc1cc(NC(=O)CC2(C(=O)[O-])CCC2)ccc1C1CC1	ZINC000887315974	637794318	/nfs/dbraw/zinc/79/43/18/637794318.db2.gz	HAIITWIOXWNTSM-UHFFFAOYSA-N	-1	0	298.342	3.019	20	30		CGEDRM
C[C@H]1CCCCN1N=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000853381950	637831895	/nfs/dbraw/zinc/83/18/95/637831895.db2.gz	PCWYJGDKDRTBDZ-WFASDCNBSA-N	-1	0	286.375	3.227	20	30		CGEDRM
C[C@H]1CCCCN1N=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000853381949	637831929	/nfs/dbraw/zinc/83/19/29/637831929.db2.gz	PCWYJGDKDRTBDZ-SWLSCSKDSA-N	-1	0	286.375	3.227	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccnc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000853395012	637833920	/nfs/dbraw/zinc/83/39/20/637833920.db2.gz	HUJFQOIMOCIHJQ-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](Sc1ccccc1)C(C)C	ZINC000856031136	638286824	/nfs/dbraw/zinc/28/68/24/638286824.db2.gz	DZFYNRVOUFQISD-AWEZNQCLSA-N	-1	0	279.405	3.427	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1	ZINC000118762392	639653605	/nfs/dbraw/zinc/65/36/05/639653605.db2.gz	FEKLHEXXMHTSRX-UHFFFAOYSA-N	-1	0	295.323	3.240	20	30		CGEDRM
CC[C@@H](CC#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935399369	639802902	/nfs/dbraw/zinc/80/29/02/639802902.db2.gz	DKLXVBRYECGXSK-QMMMGPOBSA-N	-1	0	287.146	3.121	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C)C1CC1	ZINC000048477139	640054660	/nfs/dbraw/zinc/05/46/60/640054660.db2.gz	MNHRXULHIAZGPO-PKNBQFBNSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)C1CC1	ZINC000048472520	640055183	/nfs/dbraw/zinc/05/51/83/640055183.db2.gz	KQROUZXVDZRBLD-XFXZXTDPSA-N	-1	0	293.388	3.305	20	30		CGEDRM
O=C(C=Cc1cccc2c1OCCO2)c1sccc1[O-]	ZINC000189431928	640192004	/nfs/dbraw/zinc/19/20/04/640192004.db2.gz	WXXXWOBAURLPMV-SNAWJCMRSA-N	-1	0	288.324	3.121	20	30		CGEDRM
CCN(C)c1ccc(C=CC(=O)c2sccc2[O-])cn1	ZINC000193149545	640436574	/nfs/dbraw/zinc/43/65/74/640436574.db2.gz	NFGKRWYONZZFGA-GQCTYLIASA-N	-1	0	288.372	3.201	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000194586039	640541646	/nfs/dbraw/zinc/54/16/46/640541646.db2.gz	NQJRJWMWIYIAEW-FNORWQNLSA-N	-1	0	294.266	3.068	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)N(CCCC)CCCC	ZINC000089968268	640665100	/nfs/dbraw/zinc/66/51/00/640665100.db2.gz	QFDUZFTVNKNWLM-KPKJPENVSA-N	-1	0	290.429	3.056	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000092465774	640738049	/nfs/dbraw/zinc/73/80/49/640738049.db2.gz	PXJJVIKJRGSXBZ-UHFFFAOYSA-N	-1	0	290.363	3.089	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1	ZINC000254409324	640910595	/nfs/dbraw/zinc/91/05/95/640910595.db2.gz	PGXHRHXBSJSPCP-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
N#Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1F	ZINC001250636062	805740479	/nfs/dbraw/zinc/74/04/79/805740479.db2.gz	RETZTBIFKLYQMO-QPJJXVBHSA-N	-1	0	267.259	3.462	20	30		CGEDRM
N#C[C@H](Nc1ncc(Cl)cc1C(=O)[O-])c1ccccc1	ZINC001161717265	806430193	/nfs/dbraw/zinc/43/01/93/806430193.db2.gz	GZOQCHJXLOBZPP-LBPRGKRZSA-N	-1	0	287.706	3.110	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1	ZINC000038820528	798887585	/nfs/dbraw/zinc/88/75/85/798887585.db2.gz	DTNPMIRWOVXSPP-UHFFFAOYSA-N	-1	0	295.747	3.034	20	30		CGEDRM
CC[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000087509145	798946867	/nfs/dbraw/zinc/94/68/67/798946867.db2.gz	WOVDIYGIEYVJNK-QMMMGPOBSA-N	-1	0	286.253	3.100	20	30		CGEDRM
O=C1c2ccccc2C(=O)C1=Cc1cc(F)c([O-])c(F)c1	ZINC000175315676	799093140	/nfs/dbraw/zinc/09/31/40/799093140.db2.gz	AEKPGVAXMHEFAO-UHFFFAOYSA-N	-1	0	286.233	3.133	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(F)c2Cl)c1	ZINC000176401332	799095415	/nfs/dbraw/zinc/09/54/15/799095415.db2.gz	BWLZGMSEMRJWEH-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC000313431251	799232044	/nfs/dbraw/zinc/23/20/44/799232044.db2.gz	VOEHRNGDRWOMJX-UHFFFAOYSA-N	-1	0	297.270	3.103	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1	ZINC001120732961	802769191	/nfs/dbraw/zinc/76/91/91/802769191.db2.gz	BZHHYPWWMHBNEQ-LLVKDONJSA-N	-1	0	281.302	3.241	20	30		CGEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1	ZINC001122650959	802878783	/nfs/dbraw/zinc/87/87/83/802878783.db2.gz	VWLMRUQNFACMGW-LBPRGKRZSA-N	-1	0	297.333	3.403	20	30		CGEDRM
CCOc1ncc(-c2ccc(/C=N/[O-])c(F)c2)cc1F	ZINC001243772578	802993170	/nfs/dbraw/zinc/99/31/70/802993170.db2.gz	LKECIGGJDMEBAZ-QGMBQPNBSA-N	-1	0	278.258	3.234	20	30		CGEDRM
N#Cc1cc2nc(-c3c([O-])cccc3Cl)ccc2[nH]1	ZINC001244033619	803153143	/nfs/dbraw/zinc/15/31/43/803153143.db2.gz	GBOZSDCDQVEPHV-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
C=CCNC(=O)c1ccc(-c2ccc(Cl)cc2[O-])nc1	ZINC001244467394	803383737	/nfs/dbraw/zinc/38/37/37/803383737.db2.gz	DQWMZXNZGMYXPY-UHFFFAOYSA-N	-1	0	288.734	3.023	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)c([O-])c(Cl)c2)nc1F	ZINC001244500672	803405936	/nfs/dbraw/zinc/40/59/36/803405936.db2.gz	VKPPOHUMGKBGPA-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cnc(-c2cc(F)c([O-])c(Cl)c2)c(/C=N/O)c1	ZINC001244501946	803407958	/nfs/dbraw/zinc/40/79/58/803407958.db2.gz	ZOVKNSHQZFJXLN-UBKPWBPPSA-N	-1	0	280.686	3.363	20	30		CGEDRM
N#Cc1ncncc1-c1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC001244513545	803412361	/nfs/dbraw/zinc/41/23/61/803412361.db2.gz	HYBGOPXHHXPIQF-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)cn1	ZINC001244613099	803464262	/nfs/dbraw/zinc/46/42/62/803464262.db2.gz	NYUHVJKDMZKXTF-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1cc(-c2ccc(CC#N)nc2)cc(C)c1C(=O)[O-]	ZINC001244947243	803587066	/nfs/dbraw/zinc/58/70/66/803587066.db2.gz	QQLICNIFGXIMGM-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1cc(-c2ccccc2C=NO)cc(C)c1C(=O)[O-]	ZINC001244947636	803588122	/nfs/dbraw/zinc/58/81/22/803588122.db2.gz	DACCUGHYJGUZOV-UHFFFAOYSA-N	-1	0	269.300	3.477	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(F)cc1OCC#N	ZINC001245301267	803695491	/nfs/dbraw/zinc/69/54/91/803695491.db2.gz	RBQZLQLJOJDNKQ-UHFFFAOYSA-N	-1	0	285.274	3.402	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3cc(CC(=O)[O-])ccc3F)cc12	ZINC001245318585	803699784	/nfs/dbraw/zinc/69/97/84/803699784.db2.gz	OJJOABDBTVUJQY-UHFFFAOYSA-N	-1	0	294.285	3.473	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])cc2Cl)ccc1C#N	ZINC001245371911	803717438	/nfs/dbraw/zinc/71/74/38/803717438.db2.gz	CTXRBNRYXRYHMC-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CC1(c2ccc(-c3cc([O-])c(F)c(F)c3F)nc2)CC1	ZINC001245636674	803872926	/nfs/dbraw/zinc/87/29/26/803872926.db2.gz	MNJCTMQYPIICQD-UHFFFAOYSA-N	-1	0	290.244	3.427	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cc([O-])c(F)c(F)c3F)cc12	ZINC001245639885	803875845	/nfs/dbraw/zinc/87/58/45/803875845.db2.gz	WBUTZRLTQIJHFX-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
Cc1nc(-c2c([O-])cccc2F)c(C#N)c(C)c1C	ZINC001245655220	803887804	/nfs/dbraw/zinc/88/78/04/803887804.db2.gz	SWCJLPIVRNURHA-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
N#CCc1ccc(-c2cc(Cl)c([O-])cc2F)nc1	ZINC001245667687	803897020	/nfs/dbraw/zinc/89/70/20/803897020.db2.gz	HXJWNHLKKMRRAR-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1nccc(-c2cc(Cl)c([O-])cc2F)c1C#N	ZINC001245673524	803902978	/nfs/dbraw/zinc/90/29/78/803902978.db2.gz	IJDFWWXXWIMPAH-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1ccccc1-n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245933273	804062749	/nfs/dbraw/zinc/06/27/49/804062749.db2.gz	OTRIEBJVHXSVEE-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2ccc(Cl)nc2)cc1=O	ZINC001245945159	804079800	/nfs/dbraw/zinc/07/98/00/804079800.db2.gz	BOBPMCDMQFYJDH-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
C[C@@H](C#N)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1	ZINC001248015070	804871148	/nfs/dbraw/zinc/87/11/48/804871148.db2.gz	MFRHXPZPRYSESG-LURJTMIESA-N	-1	0	288.357	3.262	20	30		CGEDRM
Cc1noc([N-]c2ccc([N+](=O)[O-])cc2Cl)c1C#N	ZINC001248594513	804958468	/nfs/dbraw/zinc/95/84/68/804958468.db2.gz	HGOUAHIXWBOHAB-UHFFFAOYSA-N	-1	0	278.655	3.160	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1	ZINC001212515747	815045726	/nfs/dbraw/zinc/04/57/26/815045726.db2.gz	LSBIIWCIQKDZCC-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1C[C@@H](F)C[C@H]1C#N	ZINC001249699896	805218538	/nfs/dbraw/zinc/21/85/38/805218538.db2.gz	ORTWKPOVYNZWGZ-UWVGGRQHSA-N	-1	0	295.408	3.041	20	30		CGEDRM
N#Cc1cccc(Nc2cc(Cl)c([O-])cc2F)n1	ZINC001250020159	805371100	/nfs/dbraw/zinc/37/11/00/805371100.db2.gz	MYWULGLYDRFLJO-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1cc(F)c(C#N)cc1NC(=O)c1ccc(O)cc1F	ZINC001154148384	805435593	/nfs/dbraw/zinc/43/55/93/805435593.db2.gz	AFSZNEIFRIVASG-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC001154224560	805442760	/nfs/dbraw/zinc/44/27/60/805442760.db2.gz	ZYHYYTLTVBXKIZ-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
O=C([O-])/C=C/c1ccccc1NCC#Cc1ccccc1	ZINC001170429387	807840071	/nfs/dbraw/zinc/84/00/71/807840071.db2.gz	DWQJWHXBZSXJKP-OUKQBFOZSA-N	-1	0	277.323	3.248	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001173805072	808679422	/nfs/dbraw/zinc/67/94/22/808679422.db2.gz	OSCAQKOHFSZJQQ-UHFFFAOYSA-N	-1	0	258.252	3.155	20	30		CGEDRM
COc1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001173861353	808719805	/nfs/dbraw/zinc/71/98/05/808719805.db2.gz	HJMBUFIPHZKTRK-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(F)c2)c([O-])cc1F	ZINC001173866183	808724551	/nfs/dbraw/zinc/72/45/51/808724551.db2.gz	DXZSKIALBNELFE-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(F)c1	ZINC001174146657	808891831	/nfs/dbraw/zinc/89/18/31/808891831.db2.gz	NIVHGEJGJZRUCF-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(C(F)(F)F)nc1	ZINC001174310290	808948880	/nfs/dbraw/zinc/94/88/80/808948880.db2.gz	TVMUCDBNDYXOCU-UHFFFAOYSA-N	-1	0	285.250	3.483	20	30		CGEDRM
COc1ccc(F)c(F)c1Nc1scc([O-])c1C#N	ZINC001174422701	809012661	/nfs/dbraw/zinc/01/26/61/809012661.db2.gz	KLUMZTOHRMROHQ-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
N#Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1O	ZINC001174501116	809048821	/nfs/dbraw/zinc/04/88/21/809048821.db2.gz	ZRGCSIWGGUSFNB-QPJJXVBHSA-N	-1	0	280.283	3.105	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cccc(F)c1C#N	ZINC001174677324	809126996	/nfs/dbraw/zinc/12/69/96/809126996.db2.gz	NBOZJPSIQHCTEJ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])cc2OC)ccc1C#N	ZINC001174676267	809127125	/nfs/dbraw/zinc/12/71/25/809127125.db2.gz	HTVUBMOGVLVBEY-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)cc1C	ZINC001174677661	809127272	/nfs/dbraw/zinc/12/72/72/809127272.db2.gz	PPSJYPABTPSDHT-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1F	ZINC001174680285	809128982	/nfs/dbraw/zinc/12/89/82/809128982.db2.gz	SSBQCWOQAWPGCB-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174806621	809166970	/nfs/dbraw/zinc/16/69/70/809166970.db2.gz	CLHUIYGKCKFELJ-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)c(F)c1	ZINC001174811080	809168881	/nfs/dbraw/zinc/16/88/81/809168881.db2.gz	WSOLGYPLLGWTKW-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175161784	809293064	/nfs/dbraw/zinc/29/30/64/809293064.db2.gz	ULYCGNHGFVCVRW-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)cc(F)c1F	ZINC001175161019	809293194	/nfs/dbraw/zinc/29/31/94/809293194.db2.gz	ZMXZZFZDSJTLLR-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001175161442	809293239	/nfs/dbraw/zinc/29/32/39/809293239.db2.gz	UXKPHWXYCMKTKG-UHFFFAOYSA-N	-1	0	298.273	3.342	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175219062	809312495	/nfs/dbraw/zinc/31/24/95/809312495.db2.gz	UXBPNYLZENWGKS-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175315819	809351450	/nfs/dbraw/zinc/35/14/50/809351450.db2.gz	LINKSFRFZKBBFU-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175331401	809358626	/nfs/dbraw/zinc/35/86/26/809358626.db2.gz	QWYHAZCGBYLACM-UHFFFAOYSA-N	-1	0	267.288	3.042	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1cccc(C(=O)[O-])c1	ZINC001175335015	809359521	/nfs/dbraw/zinc/35/95/21/809359521.db2.gz	PEAXTVDLKHIZJM-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cccc(C(=O)[O-])c1	ZINC001175332643	809359628	/nfs/dbraw/zinc/35/96/28/809359628.db2.gz	UYOSLWYZCSMEGV-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccccc2C(F)F)c1	ZINC001295828238	809494061	/nfs/dbraw/zinc/49/40/61/809494061.db2.gz	NSMHXDMBNKWZPP-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
COc1cc(F)c(Nc2cc(C#N)c(F)cc2[O-])c(F)c1	ZINC001175724007	809520776	/nfs/dbraw/zinc/52/07/76/809520776.db2.gz	QNZLGXRHXVPWMD-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(C)c1N	ZINC001175938887	809576096	/nfs/dbraw/zinc/57/60/96/809576096.db2.gz	PPYIOKPPYITINP-UHFFFAOYSA-N	-1	0	271.295	3.346	20	30		CGEDRM
Cc1ccc(Nc2csc(C(=O)[O-])c2)c(C#N)c1	ZINC001176435314	809696003	/nfs/dbraw/zinc/69/60/03/809696003.db2.gz	BIPWIYMARARVEY-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1ccc(Nc2csc(C(=O)[O-])c2)cc1C#N	ZINC001176439219	809698609	/nfs/dbraw/zinc/69/86/09/809698609.db2.gz	LIDBKKBYCIKPJE-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cccc(Nc2csc(C(=O)[O-])c2)c1C#N	ZINC001176441132	809699321	/nfs/dbraw/zinc/69/93/21/809699321.db2.gz	QTHPOKDKRBGSNB-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1nsc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001176591996	809725373	/nfs/dbraw/zinc/72/53/73/809725373.db2.gz	SBIFGJXTOZEGNU-QPJJXVBHSA-N	-1	0	285.328	3.165	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176595604	809726960	/nfs/dbraw/zinc/72/69/60/809726960.db2.gz	QTBNKSYILPWDLW-XBXARRHUSA-N	-1	0	280.283	3.105	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176595357	809727433	/nfs/dbraw/zinc/72/74/33/809727433.db2.gz	NEOABKKLHIXHFF-RUDMXATFSA-N	-1	0	294.310	3.408	20	30		CGEDRM
N#CCc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC001176677410	809741236	/nfs/dbraw/zinc/74/12/36/809741236.db2.gz	WAECOUZGIFVXIG-UHFFFAOYSA-N	-1	0	297.270	3.103	20	30		CGEDRM
Cc1nn(C)c2cc(Nc3scc([O-])c3C#N)ccc12	ZINC001213754787	815327800	/nfs/dbraw/zinc/32/78/00/815327800.db2.gz	AERNWEVGBLTDDB-UHFFFAOYSA-N	-1	0	284.344	3.264	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1cc(C2CCCC2)no1	ZINC001184240467	810184361	/nfs/dbraw/zinc/18/43/61/810184361.db2.gz	DUARBNDMABMBPF-UHFFFAOYSA-N	-1	0	299.350	3.320	20	30		CGEDRM
C[C@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)Cc2ccccc21	ZINC001184244482	810184970	/nfs/dbraw/zinc/18/49/70/810184970.db2.gz	KBBGNLYAZUKUFD-AWEZNQCLSA-N	-1	0	294.374	3.182	20	30		CGEDRM
CN(CCCc1ccccc1)C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244211	810185033	/nfs/dbraw/zinc/18/50/33/810185033.db2.gz	ROLRFLKRPGHEIU-UHFFFAOYSA-N	-1	0	296.390	3.127	20	30		CGEDRM
CCCCCCN(O)C(=O)c1cccn(C(C)(C)C)c1=O	ZINC001184315152	810190760	/nfs/dbraw/zinc/19/07/60/810190760.db2.gz	ROYZFCHFWCQASJ-UHFFFAOYSA-N	-1	0	294.395	3.015	20	30		CGEDRM
N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccsc1	ZINC001185384772	810258898	/nfs/dbraw/zinc/25/88/98/810258898.db2.gz	XTUQKJLAPYTMNN-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1nccnc1CC	ZINC001187994545	810439563	/nfs/dbraw/zinc/43/95/63/810439563.db2.gz	LOXHKVLIKGNDQM-UHFFFAOYSA-N	-1	0	299.440	3.141	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cc(C#N)cnc1C	ZINC001214270693	815392021	/nfs/dbraw/zinc/39/20/21/815392021.db2.gz	KBEOLSUQIKHHAU-UHFFFAOYSA-N	-1	0	297.314	3.102	20	30		CGEDRM
COCOc1cccc(F)c1Nc1scc([O-])c1C#N	ZINC001214432787	815407611	/nfs/dbraw/zinc/40/76/11/815407611.db2.gz	FTWRNDJHTCLOFH-UHFFFAOYSA-N	-1	0	294.307	3.191	20	30		CGEDRM
C=CC[C@@H](NC(=O)c1cccc(C#N)c1[O-])c1ccccc1	ZINC001193659690	810930411	/nfs/dbraw/zinc/93/04/11/810930411.db2.gz	PLJLDSKETNNLRQ-MRXNPFEDSA-N	-1	0	292.338	3.311	20	30		CGEDRM
C=CCOC(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC001194319044	811051060	/nfs/dbraw/zinc/05/10/60/811051060.db2.gz	ITQAIFDFCLWNQT-UHFFFAOYSA-N	-1	0	266.347	3.320	20	30		CGEDRM
N#Cc1sccc1NC(=O)c1cc(Cl)c(F)cc1[O-]	ZINC001196458321	811345316	/nfs/dbraw/zinc/34/53/16/811345316.db2.gz	GXYAPIFAPZKCRX-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=S)Nc2ccc(F)cc2)c1	ZINC001196941436	811386737	/nfs/dbraw/zinc/38/67/37/811386737.db2.gz	OOHKBYQKDCCVMZ-UHFFFAOYSA-N	-1	0	287.319	3.212	20	30		CGEDRM
N#Cc1cc(Nc2cnc(F)c(C(=O)[O-])c2)ccc1Cl	ZINC001215111331	815483417	/nfs/dbraw/zinc/48/34/17/815483417.db2.gz	MDIUVJRRPBHQEI-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2F)ccc1F	ZINC001215273852	815501917	/nfs/dbraw/zinc/50/19/17/815501917.db2.gz	CRAKZBYMVNJPRR-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2cc([O-])c(F)c(F)c2)c1	ZINC001202787638	812174104	/nfs/dbraw/zinc/17/41/04/812174104.db2.gz	LWLDEXLQHQGJGI-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
CC(C)(C)c1noc(Nc2ccsc2C(=O)[O-])c1C#N	ZINC001215386890	815514384	/nfs/dbraw/zinc/51/43/84/815514384.db2.gz	KPPCSUYJAHGGBO-UHFFFAOYSA-N	-1	0	291.332	3.347	20	30		CGEDRM
CC(C)(C)c1nnc([N-]c2ccc(C#N)c(F)c2)o1	ZINC001204028660	812525387	/nfs/dbraw/zinc/52/53/87/812525387.db2.gz	NOFBAHGVXURDMW-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
Cc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1	ZINC001204644306	812698609	/nfs/dbraw/zinc/69/86/09/812698609.db2.gz	SRSNEEZCFJCOSE-UHFFFAOYSA-N	-1	0	279.319	3.247	20	30		CGEDRM
O=C(CCc1nc(-c2cccc(F)c2)no1)C1=CC=C[CH]1	ZINC001204644298	812698679	/nfs/dbraw/zinc/69/86/79/812698679.db2.gz	SRGDBLPYZZXORA-UHFFFAOYSA-N	-1	0	283.282	3.078	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205095453	812860521	/nfs/dbraw/zinc/86/05/21/812860521.db2.gz	IITADCZAEJHZHM-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1C#N	ZINC001205095542	812862374	/nfs/dbraw/zinc/86/23/74/812862374.db2.gz	KIPFKQUPSCYQAR-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccsc1C(=O)[O-]	ZINC001205542860	812998636	/nfs/dbraw/zinc/99/86/36/812998636.db2.gz	WCZHKGCFNJRRKM-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CCOc1ccccc1-c1ccsc1C(=O)[O-]	ZINC001205585908	813013746	/nfs/dbraw/zinc/01/37/46/813013746.db2.gz	KQKRWUWKCNNFST-UHFFFAOYSA-N	-1	0	259.286	3.016	20	30		CGEDRM
N#Cc1c(F)cccc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206031627	813173218	/nfs/dbraw/zinc/17/32/18/813173218.db2.gz	PTIMVKGWYQDTLL-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
N#Cc1cc(Nc2ccc3[nH]cnc3c2)c([O-])cc1F	ZINC001209850634	814169556	/nfs/dbraw/zinc/16/95/56/814169556.db2.gz	DAKOVIUBRLUPLE-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1C#N	ZINC001209890822	814190691	/nfs/dbraw/zinc/19/06/91/814190691.db2.gz	XGOGNSSRBNDQKX-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
CC(=O)c1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001209890842	814191054	/nfs/dbraw/zinc/19/10/54/814191054.db2.gz	YOZOCUWUUDBVNU-UHFFFAOYSA-N	-1	0	298.273	3.342	20	30		CGEDRM
COc1ccc(Nc2cccc(CC#N)c2)cc1C(=O)[O-]	ZINC001209903370	814195050	/nfs/dbraw/zinc/19/50/50/814195050.db2.gz	ULCPAGJWIPOILZ-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C#N)cc1C#N	ZINC001210010195	814242144	/nfs/dbraw/zinc/24/21/44/814242144.db2.gz	JDCAZIZZOYTGIB-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1F	ZINC001210244824	814363006	/nfs/dbraw/zinc/36/30/06/814363006.db2.gz	JFNNRWKWPDNEBC-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccccc1C(=O)[O-]	ZINC001210969929	814697291	/nfs/dbraw/zinc/69/72/91/814697291.db2.gz	ZVUNQPFXZCKFFT-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc(F)c(-c2noc(-c3c([O-])cccc3F)n2)c1	ZINC001215776816	815587485	/nfs/dbraw/zinc/58/74/85/815587485.db2.gz	VAXSZOAKPQGDJR-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cc(C)cc(C(=O)[O-])c2)c1	ZINC001211545082	814905079	/nfs/dbraw/zinc/90/50/79/814905079.db2.gz	SFUIZSFUYJKWLA-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(O)cc1C#N	ZINC001211624824	814920687	/nfs/dbraw/zinc/92/06/87/814920687.db2.gz	VMTIZAAZJSFDKK-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1ccc(Nc2scc([O-])c2C#N)cc1C#N	ZINC001216073463	815680371	/nfs/dbraw/zinc/68/03/71/815680371.db2.gz	CBXOOQDTSFFCLJ-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
Cc1cc(C)c(N)c(Nc2scc([O-])c2C#N)c1	ZINC001216096879	815691506	/nfs/dbraw/zinc/69/15/06/815691506.db2.gz	AERXZBWZHMXRMB-UHFFFAOYSA-N	-1	0	259.334	3.268	20	30		CGEDRM
Cc1nc(C#N)cnc1-c1cc(Cl)c([O-])c(Cl)c1	ZINC001242851763	823152614	/nfs/dbraw/zinc/15/26/14/823152614.db2.gz	MTYKMQAUVNRJSS-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3cc([O-])c(F)c(F)c3)n2)c1	ZINC001216973917	815904284	/nfs/dbraw/zinc/90/42/84/815904284.db2.gz	RHOYZJKIHJTLOQ-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(/C=N/O)c(F)c1	ZINC001242923866	823173584	/nfs/dbraw/zinc/17/35/84/823173584.db2.gz	GIPDLUIZDJLKCT-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(F)cc(CC#N)c1	ZINC001242926260	823174612	/nfs/dbraw/zinc/17/46/12/823174612.db2.gz	HLOODLJKCVYAAQ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CC[C@@H](C)C2)c1	ZINC001223893436	816699060	/nfs/dbraw/zinc/69/90/60/816699060.db2.gz	VFVKYWJLQIMQBR-XJAFZISJSA-N	-1	0	279.336	3.045	20	30		CGEDRM
C=CCCCCCC[C@@H](C)OCC[P@@](=O)([O-])O	ZINC001224602762	816831555	/nfs/dbraw/zinc/83/15/55/816831555.db2.gz	TUTRLHLBUAIXFU-GFCCVEGCSA-N	-1	0	264.302	3.096	20	30		CGEDRM
N#C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cccc(F)c1	ZINC001225626884	817117830	/nfs/dbraw/zinc/11/78/30/817117830.db2.gz	WVRNCYMZCPSCBD-CYBMUJFWSA-N	-1	0	288.234	3.083	20	30		CGEDRM
C=CC[C@H](Oc1cccc([O-])c1[N+](=O)[O-])C(C)C	ZINC001225625366	817118245	/nfs/dbraw/zinc/11/82/45/817118245.db2.gz	JMSWQCDQMVPDBO-NSHDSACASA-N	-1	0	251.282	3.280	20	30		CGEDRM
C[C@@H]1CC[C@@H](C)[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008101	817246756	/nfs/dbraw/zinc/24/67/56/817246756.db2.gz	CZJMSCUVUGFGRT-KBVBSXBZSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CCCC[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013647	817249725	/nfs/dbraw/zinc/24/97/25/817249725.db2.gz	PFXVOIDSLBAYMW-SNVBAGLBSA-N	-1	0	252.289	3.146	20	30		CGEDRM
CC(C)[C@H](Oc1nccc(/C=N/O)n1)c1ccccc1	ZINC001226256044	817312058	/nfs/dbraw/zinc/31/20/58/817312058.db2.gz	OCHHSQUTIVYQAV-FBJMNJBLSA-N	-1	0	271.320	3.061	20	30		CGEDRM
Cc1[n-]c(=O)nc(O[C@@H](C)CC(C)(C)S)c1Cl	ZINC001227114194	817562662	/nfs/dbraw/zinc/56/26/62/817562662.db2.gz	YMFGXTLDYJGICK-LURJTMIESA-N	-1	0	276.789	3.010	20	30		CGEDRM
Cc1ccc2nc(=O)[n-]c(OC3CCC(C#N)CC3)c2c1	ZINC001227348129	817628876	/nfs/dbraw/zinc/62/88/76/817628876.db2.gz	APGNWMUZLFWTOR-UHFFFAOYSA-N	-1	0	283.331	3.105	20	30		CGEDRM
COC(=O)c1cc(-c2cc(C)cc(C(=O)[O-])c2)ccc1C#N	ZINC001243179103	823275155	/nfs/dbraw/zinc/27/51/55/823275155.db2.gz	ROUMTRWCJVVELD-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
CC#CC[C@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605793	817680305	/nfs/dbraw/zinc/68/03/05/817680305.db2.gz	OPVSQAFERBLYRR-ZETCQYMHSA-N	-1	0	275.135	3.060	20	30		CGEDRM
Cc1ccc(-c2cc3cc[nH]c3nc2C#N)cc1C(=O)[O-]	ZINC001243197083	823286039	/nfs/dbraw/zinc/28/60/39/823286039.db2.gz	KRSUGWRYNRCKTQ-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)c(C#N)c1	ZINC001243203701	823289187	/nfs/dbraw/zinc/28/91/87/823289187.db2.gz	FEDSQKWNVVXDBS-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2nccs2)c1	ZINC001232677192	818417868	/nfs/dbraw/zinc/41/78/68/818417868.db2.gz	CDKWLUTVMCTHEQ-ZDUSSCGKSA-N	-1	0	285.372	3.057	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243322682	823346556	/nfs/dbraw/zinc/34/65/56/823346556.db2.gz	CQNZMNRTJQQXHU-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243325532	823348695	/nfs/dbraw/zinc/34/86/95/823348695.db2.gz	FMPLNWHDRSTZQR-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](Oc2n[n-]c(=O)cc2Cl)C(C)(C)O1	ZINC001233590325	818650395	/nfs/dbraw/zinc/65/03/95/818650395.db2.gz	PBNRXNRYCSIYFS-QMTHXVAHSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CC[C@H](Oc1cc([O-])cc2occc(=O)c12)C(C)C	ZINC001233835320	818714842	/nfs/dbraw/zinc/71/48/42/818714842.db2.gz	XLIOPKYLHMBGQC-ZDUSSCGKSA-N	-1	0	274.316	3.478	20	30		CGEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530866	818875728	/nfs/dbraw/zinc/87/57/28/818875728.db2.gz	NHXZOYNHGFPBOC-CYBMUJFWSA-N	-1	0	295.342	3.168	20	30		CGEDRM
C[C@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530980	818876129	/nfs/dbraw/zinc/87/61/29/818876129.db2.gz	QCMLDFCJTSZRTR-IINYFYTJSA-N	-1	0	283.331	3.165	20	30		CGEDRM
CC(C)[C@H](Oc1ccccc1C=N[O-])C(F)(F)F	ZINC001234823397	818927327	/nfs/dbraw/zinc/92/73/27/818927327.db2.gz	UBYBFZDKQWVBFZ-NSHDSACASA-N	-1	0	261.243	3.460	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235983885	819259234	/nfs/dbraw/zinc/25/92/34/819259234.db2.gz	CDUNCHKGMLOUNH-UHFFFAOYSA-N	-1	0	278.233	3.360	20	30		CGEDRM
Cc1c(Cl)c(-c2cc(F)cnc2C#N)ccc1C(=O)[O-]	ZINC001236121375	819328730	/nfs/dbraw/zinc/32/87/30/819328730.db2.gz	RYSGLXSMYNZJDL-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)cc1C#N	ZINC001243514565	823427195	/nfs/dbraw/zinc/42/71/95/823427195.db2.gz	NSFCHPHHYQBECF-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1F	ZINC001238150037	819942240	/nfs/dbraw/zinc/94/22/40/819942240.db2.gz	PWOMXPRJSAZGBT-WLLOZRIZSA-N	-1	0	294.757	3.451	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1ccc(C(=O)[O-])cc1F	ZINC001239255128	820241341	/nfs/dbraw/zinc/24/13/41/820241341.db2.gz	WPLKCXGWYOIITG-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cccc(-c2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001239257183	820242875	/nfs/dbraw/zinc/24/28/75/820242875.db2.gz	SSBYTYOOSCLYTC-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
COc1cccc(-c2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001239262777	820245212	/nfs/dbraw/zinc/24/52/12/820245212.db2.gz	XBFUJLKFKLREKA-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#Cc1cc2nc(-c3cccc(C=CC(=O)[O-])c3)ccc2[nH]1	ZINC001240547169	821133001	/nfs/dbraw/zinc/13/30/01/821133001.db2.gz	KPOXCYWCHHFVIV-QPJJXVBHSA-N	-1	0	289.294	3.199	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(F)c1CC#N	ZINC001240738097	821290309	/nfs/dbraw/zinc/29/03/09/821290309.db2.gz	CFHAAMUMWOEVBO-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(-c2ccc3c(C#N)c[nH]c3c2)ccc1C(=O)[O-]	ZINC001240743242	821294207	/nfs/dbraw/zinc/29/42/07/821294207.db2.gz	LHDVYAWXDFISDR-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])s2)cc1CC#N	ZINC001240847713	821368160	/nfs/dbraw/zinc/36/81/60/821368160.db2.gz	IFIHUMUGAXPELR-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2ccc(CC(=O)[O-])cc2)[nH]1	ZINC001240973668	821458633	/nfs/dbraw/zinc/45/86/33/821458633.db2.gz	LPHKJNBENUFJSH-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
Cc1cc(-c2ccc(CC(=O)[O-])cc2)ccc1CC#N	ZINC001240975200	821459509	/nfs/dbraw/zinc/45/95/09/821459509.db2.gz	CLMFMYTXLCXZOC-UHFFFAOYSA-N	-1	0	265.312	3.355	20	30		CGEDRM
COc1ccc(-c2ccccc2C=N[O-])c(F)c1F	ZINC001241044259	821519086	/nfs/dbraw/zinc/51/90/86/821519086.db2.gz	FLHIMCMXEAPQKT-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
N#Cc1ccc2ncc(-c3c(F)cc([O-])cc3F)nc2c1	ZINC001241119747	821575398	/nfs/dbraw/zinc/57/53/98/821575398.db2.gz	JNAUENJEFGHWOW-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])c(Cl)c2)c1F	ZINC001241345679	821749646	/nfs/dbraw/zinc/74/96/46/821749646.db2.gz	NSWUWCAOGRJHOL-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cccc(C(=O)[O-])c3)ccc12	ZINC001241359372	821761073	/nfs/dbraw/zinc/76/10/73/821761073.db2.gz	YWTFWHMXPVOQBG-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
COc1ccc(-c2ccc(/C=N/O)c(F)c2)cc1C(=O)[O-]	ZINC001241880328	822191257	/nfs/dbraw/zinc/19/12/57/822191257.db2.gz	PEDSDZWJTAOXDP-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(F)c1	ZINC001242390247	822978602	/nfs/dbraw/zinc/97/86/02/822978602.db2.gz	BMVCYWRDUAYCEB-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1nc2c(cccc2-c2ccc([O-])c(C#N)c2)s1	ZINC001242566832	823036660	/nfs/dbraw/zinc/03/66/60/823036660.db2.gz	LUWYKAHLGKQLAK-UHFFFAOYSA-N	-1	0	277.308	3.412	20	30		CGEDRM
Cc1ccc2oc(C([O-])=C(C#N)c3cccc(F)n3)cc2n1	ZINC001343331141	936495422	/nfs/dbraw/zinc/49/54/22/936495422.db2.gz	OGNZBSAATGERBD-SNVBAGLBSA-N	-1	0	295.273	3.160	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2F)cc1	ZINC000211733357	926743722	/nfs/dbraw/zinc/74/37/22/926743722.db2.gz	VDLKPBDWTBZJRL-YFHOEESVSA-N	-1	0	270.259	3.420	20	30		CGEDRM
C=CCC(C)(C)c1noc(-c2cc3c(cc2O)OCO3)n1	ZINC000436561362	927450942	/nfs/dbraw/zinc/45/09/42/927450942.db2.gz	BDHYTORJCBDBGT-UHFFFAOYSA-N	-1	0	288.303	3.025	20	30		CGEDRM
Cc1cc(NC23CCC(C#N)(CC2)CC3)cnc1C(=O)[O-]	ZINC001169749745	928099446	/nfs/dbraw/zinc/09/94/46/928099446.db2.gz	AKYLJJRPPKNKGK-UHFFFAOYSA-N	-1	0	285.347	3.117	20	30		CGEDRM
N#Cc1ccc(CNc2ccccc2/C=C/C(=O)[O-])cc1F	ZINC001170095921	928112955	/nfs/dbraw/zinc/11/29/55/928112955.db2.gz	RTCHTIDPQKXEJK-BQYQJAHWSA-N	-1	0	296.301	3.407	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCc3cc(F)ccc32)c1	ZINC001447059909	937366765	/nfs/dbraw/zinc/36/67/65/937366765.db2.gz	FGPDQPJEFPBCTG-AWEZNQCLSA-N	-1	0	296.301	3.071	20	30		CGEDRM
N#C[C@@H](CCc1ccccc1)C(=O)[N-]Oc1ccccc1F	ZINC001455478874	937417749	/nfs/dbraw/zinc/41/77/49/937417749.db2.gz	GHMGVXQRPRPQJT-CQSZACIVSA-N	-1	0	298.317	3.008	20	30		CGEDRM
N#Cc1cccc([N-]c2nnc(Br)s2)c1F	ZINC001216412503	932019119	/nfs/dbraw/zinc/01/91/19/932019119.db2.gz	GAYJTVICVXHXQM-UHFFFAOYSA-N	-1	0	299.128	3.055	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ccc2C#N)C1	ZINC001228898247	932047107	/nfs/dbraw/zinc/04/71/07/932047107.db2.gz	DRWGTPCNUQZDSV-OCCSQVGLSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ccc2C#N)C1	ZINC001228898245	932047114	/nfs/dbraw/zinc/04/71/14/932047114.db2.gz	DRWGTPCNUQZDSV-JSGCOSHPSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C=CCCCCCC[C@@H](C)Oc1ncc(C(=O)OC)[n-]1	ZINC001230282474	932551095	/nfs/dbraw/zinc/55/10/95/932551095.db2.gz	WANPYEWVJKYVQY-GFCCVEGCSA-N	-1	0	280.368	3.490	20	30		CGEDRM
CCC#C[C@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050399	932665858	/nfs/dbraw/zinc/66/58/58/932665858.db2.gz	SLUBEZYBYWDTEV-ZETCQYMHSA-N	-1	0	284.146	3.445	20	30		CGEDRM
CCC1=C(Oc2cccc3oc(=S)[n-]c32)C(=O)[C@H](C)O1	ZINC001231065549	932669934	/nfs/dbraw/zinc/66/99/34/932669934.db2.gz	NQNSVXKJBBATNJ-ZETCQYMHSA-N	-1	0	291.328	3.105	20	30		CGEDRM
C#C[C@@H]1CCC[C@H]1Oc1cccc2oc(=S)[n-]c21	ZINC001231066618	932671133	/nfs/dbraw/zinc/67/11/33/932671133.db2.gz	ZAEARTPAIZKXEE-NXEZZACHSA-N	-1	0	259.330	3.297	20	30		CGEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231076597	932672871	/nfs/dbraw/zinc/67/28/71/932672871.db2.gz	OHRFQXWTTRIPOO-UHFFFAOYSA-N	-1	0	274.295	3.374	20	30		CGEDRM
C#C[C@@H]([N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1	ZINC001307150962	932770571	/nfs/dbraw/zinc/77/05/71/932770571.db2.gz	OIQWIYOQHNIHAV-GFCCVEGCSA-N	-1	0	297.270	3.289	20	30		CGEDRM
C#C[C@H]([N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1	ZINC001307150964	932770769	/nfs/dbraw/zinc/77/07/69/932770769.db2.gz	OIQWIYOQHNIHAV-LBPRGKRZSA-N	-1	0	297.270	3.289	20	30		CGEDRM
C=CC[C@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-]	ZINC001325182410	934892610	/nfs/dbraw/zinc/89/26/10/934892610.db2.gz	UEFUNCOJDMZNBP-ZDUSSCGKSA-N	-1	0	295.766	3.223	20	30		CGEDRM
CC#CC[C@@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-]	ZINC001333184875	935516071	/nfs/dbraw/zinc/51/60/71/935516071.db2.gz	DMPCQQNTBQOICW-OAHLLOKOSA-N	-1	0	285.343	3.006	20	30		CGEDRM
N#CC(=C([O-])C=CC1CCCC1)c1ncc(F)cc1F	ZINC001520448539	938025860	/nfs/dbraw/zinc/02/58/60/938025860.db2.gz	HXRZHIIMVUIACO-FYJFLYSWSA-N	-1	0	276.286	3.282	20	30		CGEDRM
Cc1csc([N-]C(=O)c2ocnc2C(F)F)c1C#N	ZINC001525497692	938049938	/nfs/dbraw/zinc/04/99/38/938049938.db2.gz	HQELNIKCMWTHEW-UHFFFAOYSA-N	-1	0	283.259	3.106	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F	ZINC001526728288	938057673	/nfs/dbraw/zinc/05/76/73/938057673.db2.gz	RZNOWOQXPRPHRI-UHFFFAOYSA-N	-1	0	299.273	3.281	20	30		CGEDRM
C=C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001602713171	971361405	/nfs/dbraw/zinc/36/14/05/971361405.db2.gz	OLNUXXGRLGCVBR-HNNXBMFYSA-N	-1	0	281.311	3.293	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)Nc1ccccc1C(=O)[O-]	ZINC001602719241	971383607	/nfs/dbraw/zinc/38/36/07/971383607.db2.gz	YPHGNPZSNANZQS-UHFFFAOYSA-N	-1	0	290.363	3.499	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000398065593	951581270	/nfs/dbraw/zinc/58/12/70/951581270.db2.gz	DSDOSBZAWYQLLY-ZIAGYGMSSA-N	-1	0	296.411	3.018	20	30		CGEDRM
N#Cc1cc(F)ccc1NCC1(C(=O)[O-])CCCCC1	ZINC000165675273	959289191	/nfs/dbraw/zinc/28/91/91/959289191.db2.gz	MRIREECUIRJOHF-UHFFFAOYSA-N	-1	0	276.311	3.144	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)c([O-])c(F)c1)CCC2	ZINC001244091615	960417556	/nfs/dbraw/zinc/41/75/56/960417556.db2.gz	FHEHAYXOYXBWKS-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
CC(=NNc1cccc(F)c1C(=O)[O-])c1cnc(C)s1	ZINC001602992398	960552315	/nfs/dbraw/zinc/55/23/15/960552315.db2.gz	YBCPTUQKBJONQT-UHFFFAOYSA-N	-1	0	293.323	3.125	20	30		CGEDRM
CCNc1ccc(C)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001567073104	961112143	/nfs/dbraw/zinc/11/21/43/961112143.db2.gz	PEUJHLWODPDEBD-UHFFFAOYSA-N	-1	0	295.342	3.256	20	30		CGEDRM
C#C[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)C(C)(C)C	ZINC001588377671	962748333	/nfs/dbraw/zinc/74/83/33/962748333.db2.gz	PKBZZWBRSOQMBG-STQMWFEESA-N	-1	0	279.767	3.103	20	30		CGEDRM
C=C(C)CCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC001573324606	962786736	/nfs/dbraw/zinc/78/67/36/962786736.db2.gz	VSTRITYMRVPYFB-KRWDZBQOSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccccc1	ZINC001573347566	962948602	/nfs/dbraw/zinc/94/86/02/962948602.db2.gz	LXTTUGFFBFNCJC-GFCCVEGCSA-N	-1	0	272.256	3.062	20	30		CGEDRM
C=C[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccccc1	ZINC001573347567	962948837	/nfs/dbraw/zinc/94/88/37/962948837.db2.gz	LXTTUGFFBFNCJC-LBPRGKRZSA-N	-1	0	272.256	3.062	20	30		CGEDRM
C#CC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C1	ZINC001588433654	963265944	/nfs/dbraw/zinc/26/59/44/963265944.db2.gz	BLUVQFGQXJTVMW-CYBMUJFWSA-N	-1	0	288.391	3.072	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588451104	963271211	/nfs/dbraw/zinc/27/12/11/963271211.db2.gz	MNHVFGOLCIOVBA-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C#C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccccc1	ZINC001588376647	963271635	/nfs/dbraw/zinc/27/16/35/963271635.db2.gz	WHJOLILJEYNXDU-CYBMUJFWSA-N	-1	0	286.718	3.220	20	30		CGEDRM
C=CCC[C@H](C(=O)N(C)CCCC(=O)[O-])c1ccccc1	ZINC001588456940	963274433	/nfs/dbraw/zinc/27/44/33/963274433.db2.gz	BVJQHUVEIKMJDI-HNNXBMFYSA-N	-1	0	289.375	3.060	20	30		CGEDRM
C#CCOc1ccccc1NCc1cc(C(=O)[O-])oc1CC	ZINC001588504660	963274903	/nfs/dbraw/zinc/27/49/03/963274903.db2.gz	HSHUYTUKQAAJQM-UHFFFAOYSA-N	-1	0	299.326	3.164	20	30		CGEDRM
C=CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCC1	ZINC001588458462	963279827	/nfs/dbraw/zinc/27/98/27/963279827.db2.gz	VIDYZHCIDVOFCJ-UHFFFAOYSA-N	-1	0	287.359	3.138	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588458948	963280349	/nfs/dbraw/zinc/28/03/49/963280349.db2.gz	XVPBPRHZHHECHQ-LBPRGKRZSA-N	-1	0	288.347	3.347	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC001588534662	963281548	/nfs/dbraw/zinc/28/15/48/963281548.db2.gz	BUVIOTIYRBHOKE-NSHDSACASA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=C(C)CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-]	ZINC001588576996	963282662	/nfs/dbraw/zinc/28/26/62/963282662.db2.gz	KDKYLKMIFHYFAF-ZDUSSCGKSA-N	-1	0	250.363	3.300	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1c(C)csc1C(=O)[O-])OCC	ZINC001588535708	963285908	/nfs/dbraw/zinc/28/59/08/963285908.db2.gz	QTRIPTSEIBMNNV-JTQLQIEISA-N	-1	0	297.376	3.065	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1F)C(C)C	ZINC001588621256	963291349	/nfs/dbraw/zinc/29/13/49/963291349.db2.gz	BPYRYXHPOSVJFB-OAHLLOKOSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC001588606281	963292459	/nfs/dbraw/zinc/29/24/59/963292459.db2.gz	UZDJREJLERIKHW-KRWDZBQOSA-N	-1	0	289.375	3.095	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@H]1CCC	ZINC001588624824	963292560	/nfs/dbraw/zinc/29/25/60/963292560.db2.gz	XRRKBHOCAIVUHX-KGLIPLIRSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC001588606282	963294028	/nfs/dbraw/zinc/29/40/28/963294028.db2.gz	UZDJREJLERIKHW-QGZVFWFLSA-N	-1	0	289.375	3.095	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588682684	963299441	/nfs/dbraw/zinc/29/94/41/963299441.db2.gz	PXGMIVPVWZMVPQ-OAHLLOKOSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC[C@@H](C(=O)N[C@@H](CCCC)C(=O)[O-])c1ccccc1	ZINC001588720653	963302549	/nfs/dbraw/zinc/30/25/49/963302549.db2.gz	DBNWSMCRHNNIKT-CABCVRRESA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1nc(CCCC(=O)[O-])cs1	ZINC001588693328	963303665	/nfs/dbraw/zinc/30/36/65/963303665.db2.gz	WLIMVJGNMCKSGS-SNVBAGLBSA-N	-1	0	296.392	3.091	20	30		CGEDRM
C=C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC001588715453	963305697	/nfs/dbraw/zinc/30/56/97/963305697.db2.gz	XKKZSBRBFIPBDG-ZETCQYMHSA-N	-1	0	257.380	3.172	20	30		CGEDRM
C=C[C@H](Sc1nc(C)c(C)n1CCCC)C(=O)[O-]	ZINC001588715342	963306541	/nfs/dbraw/zinc/30/65/41/963306541.db2.gz	WKEWUBJJRFWJAB-NSHDSACASA-N	-1	0	268.382	3.031	20	30		CGEDRM
C=C[C@@H](Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-]	ZINC001588702537	963307255	/nfs/dbraw/zinc/30/72/55/963307255.db2.gz	TXFHRHSWWNHFLO-GFCCVEGCSA-N	-1	0	292.335	3.085	20	30		CGEDRM
C=CC[C@@H](Nc1ccc(C)c(OCC(F)F)c1)C(=O)[O-]	ZINC001588751263	963309261	/nfs/dbraw/zinc/30/92/61/963309261.db2.gz	KNWLANVCEIKLMK-LLVKDONJSA-N	-1	0	285.290	3.080	20	30		CGEDRM
C=CC[C@H](C(=O)[O-])N1CC[C@H](CCOC)c2ccccc21	ZINC001588729496	963309297	/nfs/dbraw/zinc/30/92/97/963309297.db2.gz	RCKUJZMFQTXWOW-CZUORRHYSA-N	-1	0	289.375	3.046	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1	ZINC001588772609	963315151	/nfs/dbraw/zinc/31/51/51/963315151.db2.gz	JUJCIKQMFRNURE-GFCCVEGCSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccccc1	ZINC001588778442	963316653	/nfs/dbraw/zinc/31/66/53/963316653.db2.gz	AREKYYYOGUQFNX-AWEZNQCLSA-N	-1	0	299.326	3.415	20	30		CGEDRM
C=CCC1(C(=O)OCc2cccc(C(=O)[O-])c2)CCC1	ZINC001588767078	963317017	/nfs/dbraw/zinc/31/70/17/963317017.db2.gz	HTTRBMBUQGDBSH-UHFFFAOYSA-N	-1	0	274.316	3.174	20	30		CGEDRM
C=CCC1(C(=O)Oc2cccc(C(=O)[O-])c2)CCCC1	ZINC001588767396	963317920	/nfs/dbraw/zinc/31/79/20/963317920.db2.gz	ZNMYDNPHFOMZJR-UHFFFAOYSA-N	-1	0	274.316	3.427	20	30		CGEDRM
C=CCN(Cc1c(Cl)cccc1C(=O)[O-])[C@@H](C)COC	ZINC001588829375	963320894	/nfs/dbraw/zinc/32/08/94/963320894.db2.gz	WXGPMPPAOAFKIJ-NSHDSACASA-N	-1	0	297.782	3.061	20	30		CGEDRM
C=CCCCCSCc1nc(C(=O)[O-])cs1	ZINC001588802406	963321452	/nfs/dbraw/zinc/32/14/52/963321452.db2.gz	KDTLRQAYMKUMSU-UHFFFAOYSA-N	-1	0	257.380	3.431	20	30		CGEDRM
C=CCN(CC1CCCCC1)c1nc(C)cc(C(=O)[O-])n1	ZINC001588825519	963321503	/nfs/dbraw/zinc/32/15/03/963321503.db2.gz	RZQBZBZTDXYHEK-UHFFFAOYSA-N	-1	0	289.379	3.056	20	30		CGEDRM
C=CCN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C1CC1	ZINC001588831811	963321902	/nfs/dbraw/zinc/32/19/02/963321902.db2.gz	RAEJVFDGXOHJNW-UHFFFAOYSA-N	-1	0	296.710	3.101	20	30		CGEDRM
C=CCN(C(=O)Nc1cc(C)sc1C(=O)[O-])C(C)C	ZINC001588820867	963323245	/nfs/dbraw/zinc/32/32/45/963323245.db2.gz	XDEXXHXWKXVMST-UHFFFAOYSA-N	-1	0	282.365	3.183	20	30		CGEDRM
CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cncc(C)c1	ZINC001589016505	963344406	/nfs/dbraw/zinc/34/44/06/963344406.db2.gz	RDWUCZOOBPWUDR-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
C=CCCCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000314146047	963717108	/nfs/dbraw/zinc/71/71/08/963717108.db2.gz	GTJTTWSLEIVPHA-UHFFFAOYSA-N	-1	0	298.289	3.141	20	30		CGEDRM
CC(C)(C)C#CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC001589684483	964017685	/nfs/dbraw/zinc/01/76/85/964017685.db2.gz	GEBXFADDYAHHRJ-CYBMUJFWSA-N	-1	0	294.734	3.058	20	30		CGEDRM
CC(C)(C#N)CCSCCOc1ccccc1C(=O)[O-]	ZINC001609743857	970506517	/nfs/dbraw/zinc/50/65/17/970506517.db2.gz	JPFIDFOQWLKAIZ-UHFFFAOYSA-N	-1	0	293.388	3.437	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C1CC1	ZINC000396598508	972920259	/nfs/dbraw/zinc/92/02/59/972920259.db2.gz	CJFNFYVUPSUOLM-LLVKDONJSA-N	-1	0	288.347	3.057	20	30		CGEDRM
N#Cc1cc(Cl)ccc1CN1CCCC[C@H]1CC(=O)[O-]	ZINC001605592118	973892796	/nfs/dbraw/zinc/89/27/96/973892796.db2.gz	WDWHPDMKKNICSU-AWEZNQCLSA-N	-1	0	292.766	3.041	20	30		CGEDRM
CCCCCCCNC(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001595704833	982280653	/nfs/dbraw/zinc/28/06/53/982280653.db2.gz	ZSYOWXJHEGLCQP-UHFFFAOYSA-N	-1	0	298.427	3.291	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)Nc1[nH]cnc1C(=O)[O-]	ZINC001595705425	982285175	/nfs/dbraw/zinc/28/51/75/982285175.db2.gz	ZPZKMMWLOSXJHD-LLVKDONJSA-N	-1	0	295.383	3.433	20	30		CGEDRM
CCc1ccccc1NN=Cc1cccn1[C@@H](C)C(=O)[O-]	ZINC001597614580	988520014	/nfs/dbraw/zinc/52/00/14/988520014.db2.gz	DDTXTRBATKXUTH-LBPRGKRZSA-N	-1	0	285.347	3.142	20	30		CGEDRM
COc1ccccc1/C=C/C=C\C(=O)c1cc(C(=O)[O-])co1	ZINC001599705756	991289873	/nfs/dbraw/zinc/28/98/73/991289873.db2.gz	PGDWOJFAGVSCOI-XATRDHJGSA-N	-1	0	298.294	3.439	20	30		CGEDRM
CC(C)CON=C(CCCCC(=O)[O-])C(F)(F)F	ZINC001591397283	992467931	/nfs/dbraw/zinc/46/79/31/992467931.db2.gz	TYDAJKVHRUYNIJ-UHFFFAOYSA-N	-1	0	269.263	3.222	20	30		CGEDRM
COc1cc(C)c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC001599390461	997024570	/nfs/dbraw/zinc/02/45/70/997024570.db2.gz	ZUHCJVONFZLRFU-PLNGDYQASA-N	-1	0	299.326	3.234	20	30		CGEDRM
COC1(C(C)N=Nc2ccc(C)c(C(=O)[O-])c2)CCC1	ZINC001599083151	997043920	/nfs/dbraw/zinc/04/39/20/997043920.db2.gz	JQWQPWSFDWRDBZ-UHFFFAOYSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C[C@H]1CCCC1N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001594357338	999351310	/nfs/dbraw/zinc/35/13/10/999351310.db2.gz	LRXIPHCMNYZLFJ-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
N#Cc1ccc(Cl)cc1N1CCC(CCC(=O)[O-])CC1	ZINC000062785046	345240397	/nfs/dbraw/zinc/24/03/97/345240397.db2.gz	QWWPFRFRNSYPPC-UHFFFAOYSA-N	-1	0	292.766	3.293	20	30		CGEDRM
CCc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000066516846	345298353	/nfs/dbraw/zinc/29/83/53/345298353.db2.gz	FABCQEOXQVZFMU-SNVBAGLBSA-N	-1	0	295.298	3.177	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)cc1	ZINC000069579060	345382163	/nfs/dbraw/zinc/38/21/63/345382163.db2.gz	CLNVLWDOTUPDJH-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000093100777	345868862	/nfs/dbraw/zinc/86/88/62/345868862.db2.gz	XRTUYHGXCGNOSJ-UHFFFAOYSA-N	-1	0	291.351	3.062	20	30		CGEDRM
N#Cc1c(NC[C@H](C(=O)[O-])C2CCC2)cccc1C(F)F	ZINC000595977145	347373377	/nfs/dbraw/zinc/37/33/77/347373377.db2.gz	FQZLIYNINFBHBK-LBPRGKRZSA-N	-1	0	294.301	3.409	20	30		CGEDRM
CC(C)[C@@H](CNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595968038	347373621	/nfs/dbraw/zinc/37/36/21/347373621.db2.gz	DGZPZMPWVMISRX-LLVKDONJSA-N	-1	0	282.290	3.265	20	30		CGEDRM
CC(C)CSCCCNc1nc(C#N)c(Cl)s1	ZINC000596175803	347394599	/nfs/dbraw/zinc/39/45/99/347394599.db2.gz	UMFQWPAUPGQKCL-UHFFFAOYSA-N	-1	0	289.857	3.281	20	30		CGEDRM
CC(C)(C)[C@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)CCO1	ZINC000596178551	347394737	/nfs/dbraw/zinc/39/47/37/347394737.db2.gz	KWBZONYLJGCDPU-PSASIEDQSA-N	-1	0	299.827	3.096	20	30		CGEDRM
CC(C)[C@@H](CC(F)(F)F)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596203138	347398585	/nfs/dbraw/zinc/39/85/85/347398585.db2.gz	MJVPEUOPYDKCAF-ZCFIWIBFSA-N	-1	0	297.733	3.479	20	30		CGEDRM
N#CC1(CNC(=O)c2ccc([O-])c(Cl)c2)CCCCC1	ZINC000598302791	347640136	/nfs/dbraw/zinc/64/01/36/347640136.db2.gz	PZPGYCZFRVWACM-UHFFFAOYSA-N	-1	0	292.766	3.249	20	30		CGEDRM
CCCCc1[n-]n(Cc2cccc(C#N)c2)c(=O)c1C	ZINC000601944592	347927942	/nfs/dbraw/zinc/92/79/42/347927942.db2.gz	MHOJKJFKGQNFAH-GFCCVEGCSA-N	-1	0	269.348	3.083	20	30		CGEDRM
Cc1[n-]n(-c2cccc(F)c2Cl)c(=O)c1CCC#N	ZINC000601947400	347928049	/nfs/dbraw/zinc/92/80/49/347928049.db2.gz	RNZPVIPNYCQHCW-SECBINFHSA-N	-1	0	279.702	3.122	20	30		CGEDRM
CC(=Cc1cscc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000619096347	349201879	/nfs/dbraw/zinc/20/18/79/349201879.db2.gz	OEXDJOZZUNEFQP-XVNBXDOJSA-N	-1	0	291.763	3.225	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1O	ZINC000620305678	349354188	/nfs/dbraw/zinc/35/41/88/349354188.db2.gz	QHONJBWIHNPDBR-OKILXGFUSA-N	-1	0	271.360	3.332	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-]	ZINC000630322782	350823411	/nfs/dbraw/zinc/82/34/11/350823411.db2.gz	WIMLITVMIXAYPF-OAHLLOKOSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CC/C=C/c1ccccc1)C(=O)[O-]	ZINC000630324614	350823871	/nfs/dbraw/zinc/82/38/71/350823871.db2.gz	GBBQBJAPEWDTPV-WCLQSUPFSA-N	-1	0	287.359	3.016	20	30		CGEDRM
C=CCN(C(=O)C(C)(C)CCC(=O)[O-])c1ccccc1	ZINC000634939586	351606320	/nfs/dbraw/zinc/60/63/20/351606320.db2.gz	LDIYDOXCINJIAD-UHFFFAOYSA-N	-1	0	275.348	3.097	20	30		CGEDRM
N#Cc1ccnc(/C=C/c2c(F)ccc([O-])c2F)c1	ZINC000336023743	212827279	/nfs/dbraw/zinc/82/72/79/212827279.db2.gz	KWASZAIJMUBSBF-OWOJBTEDSA-N	-1	0	258.227	3.107	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041544028	369191057	/nfs/dbraw/zinc/19/10/57/369191057.db2.gz	DLLQVAPOTICYPM-LLVKDONJSA-N	-1	0	266.256	3.219	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519768	369356873	/nfs/dbraw/zinc/35/68/73/369356873.db2.gz	BDIGCSONZUOYPY-NSHDSACASA-N	-1	0	295.404	3.257	20	30		CGEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)[C@@H]1CC=CCC1	ZINC000049514055	369405452	/nfs/dbraw/zinc/40/54/52/369405452.db2.gz	LYJLSIJMNTUGEK-CYBMUJFWSA-N	-1	0	285.409	3.209	20	30		CGEDRM
CCc1nc(=N[C@H](CCCC#N)c2ccccc2)s[n-]1	ZINC000431490068	372478274	/nfs/dbraw/zinc/47/82/74/372478274.db2.gz	XJIIJLHGFKRNQQ-CYBMUJFWSA-N	-1	0	286.404	3.369	20	30		CGEDRM
CCCc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000435339181	372751290	/nfs/dbraw/zinc/75/12/90/372751290.db2.gz	PSPFXKNQBKVPDF-XFXZXTDPSA-N	-1	0	293.370	3.463	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1scnc1C1CC1	ZINC000447354901	373427788	/nfs/dbraw/zinc/42/77/88/373427788.db2.gz	OAMMBJSWWLYUTM-AATRIKPKSA-N	-1	0	297.339	3.156	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc3cccnc32)cc1[O-]	ZINC000188223750	375178678	/nfs/dbraw/zinc/17/86/78/375178678.db2.gz	JWCQZMMDKGEKIL-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C	ZINC000188737185	375262608	/nfs/dbraw/zinc/26/26/08/375262608.db2.gz	PEWXABRRBKMBPG-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
CCc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000189790696	375447779	/nfs/dbraw/zinc/44/77/79/375447779.db2.gz	QLSCXJCOMRAREG-UHFFFAOYSA-N	-1	0	266.300	3.079	20	30		CGEDRM
N#Cc1csc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1	ZINC000336329841	375777455	/nfs/dbraw/zinc/77/74/55/375777455.db2.gz	PMVNLZJHZIUXAU-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000539454958	376313485	/nfs/dbraw/zinc/31/34/85/376313485.db2.gz	MBNADDGWWONWIB-JTQLQIEISA-N	-1	0	296.440	3.124	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)s1	ZINC000230333410	376505223	/nfs/dbraw/zinc/50/52/23/376505223.db2.gz	JVWNANHJZQNXJQ-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)ccc1O	ZINC000264831323	377995044	/nfs/dbraw/zinc/99/50/44/377995044.db2.gz	IQPJIYVKPZFLGI-GQCTYLIASA-N	-1	0	270.332	3.374	20	30		CGEDRM
Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)c1ccncn1	ZINC000354460700	380448670	/nfs/dbraw/zinc/44/86/70/380448670.db2.gz	FMLMHQWUIXZWIZ-LBPRGKRZSA-N	-1	0	295.273	3.160	20	30		CGEDRM
Cc1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000357570217	381213818	/nfs/dbraw/zinc/21/38/18/381213818.db2.gz	RVKWJOCJOPBQQC-ALCCZGGFSA-N	-1	0	264.284	3.130	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361520974	381785259	/nfs/dbraw/zinc/78/52/59/381785259.db2.gz	WYMDBNSBJLVCFK-CYBMUJFWSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000238025364	131073055	/nfs/dbraw/zinc/07/30/55/131073055.db2.gz	ITBYPPYHFNTZRQ-UHFFFAOYSA-N	-1	0	287.359	3.411	20	30		CGEDRM
N#CC(=C([O-])c1cncc(F)c1)c1nc(C2CC2)cs1	ZINC000647378351	392712132	/nfs/dbraw/zinc/71/21/32/392712132.db2.gz	QFQVICSRNGDRAD-LLVKDONJSA-N	-1	0	287.319	3.045	20	30		CGEDRM
C=CCOc1ccc(CN=c2[n-]nc(C(F)F)s2)cc1	ZINC000343225329	393022843	/nfs/dbraw/zinc/02/28/43/393022843.db2.gz	NROXAYGZTYEGMO-UHFFFAOYSA-N	-1	0	297.330	3.075	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)o1	ZINC000346243471	393080392	/nfs/dbraw/zinc/08/03/92/393080392.db2.gz	PSZXBZBBMHMTRE-CQSZACIVSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)CC(C)(C)C(=O)[O-])CCCC1(C)C	ZINC000668320851	543006398	/nfs/dbraw/zinc/00/63/98/543006398.db2.gz	ITDGGIKFGBIQER-LBPRGKRZSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(C)C[N@@H+](C)Cc1nc2ccccc2c(C)c1C(=O)[O-]	ZINC000652430585	418966598	/nfs/dbraw/zinc/96/65/98/418966598.db2.gz	OWTOWQNPAXIJLC-UHFFFAOYSA-N	-1	0	284.359	3.249	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000654982289	419013248	/nfs/dbraw/zinc/01/32/48/419013248.db2.gz	CNMZUZPESGMVCU-SECBINFHSA-N	-1	0	290.344	3.358	20	30		CGEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000085438326	260374947	/nfs/dbraw/zinc/37/49/47/260374947.db2.gz	KXRNCNNGNCUJAH-LLVKDONJSA-N	-1	0	289.360	3.158	20	30		CGEDRM
CC(C)(C)OCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000153455980	261078307	/nfs/dbraw/zinc/07/83/07/261078307.db2.gz	VWBMVTPSYMJJDO-UHFFFAOYSA-N	-1	0	293.411	3.157	20	30		CGEDRM
CCn1nc(C)c(C=CC(=O)c2sccc2[O-])c1C	ZINC000278227456	263045886	/nfs/dbraw/zinc/04/58/86/263045886.db2.gz	YAAPJERSFJDOTQ-AATRIKPKSA-N	-1	0	276.361	3.183	20	30		CGEDRM
C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000330780767	264035777	/nfs/dbraw/zinc/03/57/77/264035777.db2.gz	NYKYBUBGQIQPHO-HOMQSWHASA-N	-1	0	278.308	3.184	20	30		CGEDRM
C#CCO[N-]C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1	ZINC000291126223	264826900	/nfs/dbraw/zinc/82/69/00/264826900.db2.gz	VOXOCXMLLVRHFZ-UHFFFAOYSA-N	-1	0	298.169	3.096	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C	ZINC000361120406	266788657	/nfs/dbraw/zinc/78/86/57/266788657.db2.gz	QXNVNZCPRJVQFJ-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)c(C)s1	ZINC000193847557	267359985	/nfs/dbraw/zinc/35/99/85/267359985.db2.gz	MMVNPYVYPPSPEW-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1ccc(CN=c2[n-]nc(-c3ccccc3)s2)cc1	ZINC000530956285	268224673	/nfs/dbraw/zinc/22/46/73/268224673.db2.gz	HCZSDMSYMVROLY-UHFFFAOYSA-N	-1	0	292.367	3.111	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)[nH]1	ZINC000159286518	321832557	/nfs/dbraw/zinc/83/25/57/321832557.db2.gz	QEKIRRMJGSNLEY-UHFFFAOYSA-N	-1	0	296.113	3.151	20	30		CGEDRM
C=CCC1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CCC1	ZINC000560217342	327290876	/nfs/dbraw/zinc/29/08/76/327290876.db2.gz	DYGKERIHWLZAQO-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000566483501	327393778	/nfs/dbraw/zinc/39/37/78/327393778.db2.gz	LZILVOFPFJYBMN-ZDUSSCGKSA-N	-1	0	281.396	3.082	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccco2)n1	ZINC000080454943	330131240	/nfs/dbraw/zinc/13/12/40/330131240.db2.gz	PZPAIBBKZJUNGE-VIFPVBQESA-N	-1	0	260.318	3.350	20	30		CGEDRM
C=CCOc1cccc(NC(=O)c2c([O-])cccc2F)c1	ZINC000120702083	330391798	/nfs/dbraw/zinc/39/17/98/330391798.db2.gz	WDDRNUFLRNPMCR-UHFFFAOYSA-N	-1	0	287.290	3.348	20	30		CGEDRM
CC(C)(CCC#N)CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000436737629	330683959	/nfs/dbraw/zinc/68/39/59/330683959.db2.gz	JHYKOIZCIUVSTL-UHFFFAOYSA-N	-1	0	298.745	3.244	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457296650	331218442	/nfs/dbraw/zinc/21/84/42/331218442.db2.gz	PXOLPUHKJYATDU-QMMMGPOBSA-N	-1	0	255.264	3.211	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2csc(C3CC3)n2)n1	ZINC000194987488	333280966	/nfs/dbraw/zinc/28/09/66/333280966.db2.gz	IGDBQWSHRXRJIP-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
C/C=C\c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1	ZINC000576187336	335166910	/nfs/dbraw/zinc/16/69/10/335166910.db2.gz	MPTBFYXESQWEHX-DJWKRKHSSA-N	-1	0	298.367	3.392	20	30		CGEDRM
C[C@@H](CC#N)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000080022383	334165286	/nfs/dbraw/zinc/16/52/86/334165286.db2.gz	QIADDVIMTMAYKE-VIFPVBQESA-N	-1	0	288.734	3.231	20	30		CGEDRM
CC(=Cc1ccc(C)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193614182	335978477	/nfs/dbraw/zinc/97/84/77/335978477.db2.gz	WTPABRXKSDRMDF-WQLSENKSSA-N	-1	0	279.343	3.127	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(NC(=O)[O-])cc2)cc1	ZINC000740316514	571756305	/nfs/dbraw/zinc/75/63/05/571756305.db2.gz	ZGJZARBUCYCFKX-UHFFFAOYSA-N	-1	0	267.288	3.260	20	30		CGEDRM
CCNC(=S)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000730954789	572387525	/nfs/dbraw/zinc/38/75/25/572387525.db2.gz	KQIOQYDWRUMZGF-SNVBAGLBSA-N	-1	0	279.434	3.245	20	30		CGEDRM
CC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000731155725	572398378	/nfs/dbraw/zinc/39/83/78/572398378.db2.gz	QZWDZZMQBINIMO-OQLLNIDSSA-N	-1	0	262.309	3.300	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1	ZINC000731565584	572416306	/nfs/dbraw/zinc/41/63/06/572416306.db2.gz	UXIQXZIEGFAICZ-GHXNOFRVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
O=C([O-])Nc1ccc(CCN=Cc2ccccc2O)cc1	ZINC000740015693	572428610	/nfs/dbraw/zinc/42/86/10/572428610.db2.gz	QRVRPSUVOXAIHR-GZTJUZNOSA-N	-1	0	284.315	3.144	20	30		CGEDRM
O=C([O-])Nc1ccc(CCN=Cc2ccccc2O)cc1	ZINC000740015689	572428698	/nfs/dbraw/zinc/42/86/98/572428698.db2.gz	QRVRPSUVOXAIHR-BOPFTXTBSA-N	-1	0	284.315	3.144	20	30		CGEDRM
CCc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000740616640	572448293	/nfs/dbraw/zinc/44/82/93/572448293.db2.gz	PPCUAZGAAKVWMS-GZTJUZNOSA-N	-1	0	284.315	3.482	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ncoc2C(C)C)n1	ZINC000732494636	572468718	/nfs/dbraw/zinc/46/87/18/572468718.db2.gz	BPYHJCFXAQCWIK-SECBINFHSA-N	-1	0	275.333	3.053	20	30		CGEDRM
C[C@]1(c2ccccc2)C[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000741464390	572501046	/nfs/dbraw/zinc/50/10/46/572501046.db2.gz	OMFXKLKVZBCFAQ-CJJLDCHQSA-N	-1	0	296.326	3.450	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1	ZINC000733204897	572542866	/nfs/dbraw/zinc/54/28/66/572542866.db2.gz	DGBLMMGOIRIFBY-YFHOEESVSA-N	-1	0	296.322	3.355	20	30		CGEDRM
CS[C@@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000743043591	572635827	/nfs/dbraw/zinc/63/58/27/572635827.db2.gz	XKMKJBZXDQLJHF-CRDGFYCKSA-N	-1	0	280.349	3.003	20	30		CGEDRM
O=[N+]([O-])c1ccc(C=NNc2cccc(F)c2F)cc1[O-]	ZINC000743443686	572661731	/nfs/dbraw/zinc/66/17/31/572661731.db2.gz	MRNNTDJBUIKUAV-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
C=CCCC(=O)Oc1ccc(Br)cc1C(=O)[O-]	ZINC000736098215	572768732	/nfs/dbraw/zinc/76/87/32/572768732.db2.gz	WBPULEWKGGMTLP-UHFFFAOYSA-N	-1	0	299.120	3.019	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1	ZINC000747641643	572938913	/nfs/dbraw/zinc/93/89/13/572938913.db2.gz	BMFNHSCTORCTFH-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccsc2)cc1	ZINC000749105630	572989187	/nfs/dbraw/zinc/98/91/87/572989187.db2.gz	WJRUQSHFGKQCKJ-UTCJRWHESA-N	-1	0	258.298	3.342	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1	ZINC000749745822	573029589	/nfs/dbraw/zinc/02/95/89/573029589.db2.gz	GLSKRFGAHSMGBT-AUWJEWJLSA-N	-1	0	284.242	3.140	20	30		CGEDRM
O=C([O-])c1cccc(C=CC(=O)c2c[nH]c3ncccc23)c1	ZINC000774135348	598201710	/nfs/dbraw/zinc/20/17/10/598201710.db2.gz	JNKYHLZVJBVGGH-SREVYHEPSA-N	-1	0	292.294	3.157	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cc(C(F)(F)F)ccc2F)c1=O	ZINC000899352329	620647837	/nfs/dbraw/zinc/64/78/37/620647837.db2.gz	FWKIGVYDIKMYHN-JTQLQIEISA-N	-1	0	298.239	3.207	20	30		CGEDRM
N#Cc1cccc(SCc2ccc(C(=O)[O-])o2)c1	ZINC000833075418	601319819	/nfs/dbraw/zinc/31/98/19/601319819.db2.gz	RKHALIBEIHAVOT-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1COc1ccccc1C#N	ZINC000155900296	601627128	/nfs/dbraw/zinc/62/71/28/601627128.db2.gz	SYRGSJFRUHREJW-UHFFFAOYSA-N	-1	0	273.313	3.205	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1COc1cccc(C#N)c1	ZINC000155900420	601629040	/nfs/dbraw/zinc/62/90/40/601629040.db2.gz	YOXGFHLULYMDHU-UHFFFAOYSA-N	-1	0	273.313	3.205	20	30		CGEDRM
N#Cc1c(F)cccc1NCc1cccc(C(=O)[O-])c1	ZINC000093396102	601933445	/nfs/dbraw/zinc/93/34/45/601933445.db2.gz	TYGDHNHKBSYLAB-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C(C)C)cc2)c1=O	ZINC000899348736	620653230	/nfs/dbraw/zinc/65/32/30/620653230.db2.gz	IPVPTOSQNMYTDP-HNNXBMFYSA-N	-1	0	254.333	3.172	20	30		CGEDRM
N#CC1(C(=O)Oc2cccc(NC(=O)[O-])c2)CCCCC1	ZINC000831070265	603476333	/nfs/dbraw/zinc/47/63/33/603476333.db2.gz	HXKOSFLJYXERFT-UHFFFAOYSA-N	-1	0	288.303	3.156	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2cc(F)ccc2[O-])c(C2CC2)n1	ZINC000899361950	620666515	/nfs/dbraw/zinc/66/65/15/620666515.db2.gz	FZTXRWUMJJMZJV-GQCTYLIASA-N	-1	0	286.306	3.038	20	30		CGEDRM
C=CCCCN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825671405	604266784	/nfs/dbraw/zinc/26/67/84/604266784.db2.gz	OTEODAWKPPWTIQ-UHFFFAOYSA-N	-1	0	298.726	3.349	20	30		CGEDRM
O=C(C=Cc1cnn(CC2CCC2)c1)c1sccc1[O-]	ZINC000899366162	620673349	/nfs/dbraw/zinc/67/33/49/620673349.db2.gz	HPYMUOFSKORHHQ-PLNGDYQASA-N	-1	0	288.372	3.346	20	30		CGEDRM
C[C@@H](CSCC#Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000827574454	604787974	/nfs/dbraw/zinc/78/79/74/604787974.db2.gz	BFPCOWGRBNZJLH-JTQLQIEISA-N	-1	0	268.765	3.145	20	30		CGEDRM
O=C([O-])c1cc(NCC#Cc2ccc(F)cc2)ccc1F	ZINC000833301052	604814296	/nfs/dbraw/zinc/81/42/96/604814296.db2.gz	WJTONQZBFVYSKF-UHFFFAOYSA-N	-1	0	287.265	3.127	20	30		CGEDRM
N#Cc1c(Cl)nsc1Oc1cccc(CC(=O)[O-])c1	ZINC000833761277	604829487	/nfs/dbraw/zinc/82/94/87/604829487.db2.gz	RWFXYWVGUBZMFD-UHFFFAOYSA-N	-1	0	294.719	3.088	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000134986643	604873257	/nfs/dbraw/zinc/87/32/57/604873257.db2.gz	PNJUEHWWXIGHFK-LBPRGKRZSA-N	-1	0	290.338	3.025	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000825671143	604903246	/nfs/dbraw/zinc/90/32/46/604903246.db2.gz	DYIMREHZHDSWOY-UHFFFAOYSA-N	-1	0	297.738	3.098	20	30		CGEDRM
Cc1oc(/C=C\C(=O)c2coc(C(C)C)n2)cc1C(=O)[O-]	ZINC000899371928	620679638	/nfs/dbraw/zinc/67/96/38/620679638.db2.gz	SYWYNMVOYNIDRE-PLNGDYQASA-N	-1	0	289.287	3.294	20	30		CGEDRM
CC(C)(CCC#N)CN=Nc1ccccc1C(=O)[O-]	ZINC000755602047	605098240	/nfs/dbraw/zinc/09/82/40/605098240.db2.gz	RMJHMMJNICKZGK-UHFFFAOYSA-N	-1	0	259.309	3.112	20	30		CGEDRM
C=CCCC[C@@H](C)Nc1nc(Cl)c(C(=O)[O-])s1	ZINC000398202231	605243513	/nfs/dbraw/zinc/24/35/13/605243513.db2.gz	GASUETGPTWMGHT-SSDOTTSWSA-N	-1	0	274.773	3.073	20	30		CGEDRM
O=C([O-])Nc1cccc(CON=Cc2cccs2)c1	ZINC000834269626	605635216	/nfs/dbraw/zinc/63/52/16/605635216.db2.gz	JXKRNUFNKWKQGR-UHFFFAOYSA-N	-1	0	276.317	3.389	20	30		CGEDRM
C#CCCCCCC(=O)OCc1cccc(C(=O)[O-])c1	ZINC000833361559	605672772	/nfs/dbraw/zinc/67/27/72/605672772.db2.gz	AQAVZXGDLJJEPT-UHFFFAOYSA-N	-1	0	274.316	3.012	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC000833371606	605816765	/nfs/dbraw/zinc/81/67/65/605816765.db2.gz	WAAFDMQXEDWWDP-UHFFFAOYSA-N	-1	0	292.306	3.336	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1	ZINC000042233320	620702266	/nfs/dbraw/zinc/70/22/66/620702266.db2.gz	BIDSSOJVCSSMFC-UHFFFAOYSA-N	-1	0	294.159	3.049	20	30		CGEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)c1cccs1	ZINC000042243946	620710002	/nfs/dbraw/zinc/71/00/02/620710002.db2.gz	VDTAPTQBULZHKN-UHFFFAOYSA-N	-1	0	287.406	3.364	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C(C)C	ZINC000121103941	617985496	/nfs/dbraw/zinc/98/54/96/617985496.db2.gz	QMMYWZMPIAWGQZ-LBPRGKRZSA-N	-1	0	268.316	3.024	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899830549	620731267	/nfs/dbraw/zinc/73/12/67/620731267.db2.gz	KQRQMOVBJFLJRF-GJZGRUSLSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C#Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1	ZINC000899855091	620732010	/nfs/dbraw/zinc/73/20/10/620732010.db2.gz	BQLDUCYRSOYMOV-UHFFFAOYSA-N	-1	0	285.343	3.032	20	30		CGEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccccc1F	ZINC000049514134	617613515	/nfs/dbraw/zinc/61/35/15/617613515.db2.gz	UIRDUNSGXJXVDU-UHFFFAOYSA-N	-1	0	299.367	3.040	20	30		CGEDRM
O=C(/C=C\c1cc(F)ccc1F)c1ccc(O)cc1[O-]	ZINC000254998883	617720522	/nfs/dbraw/zinc/72/05/22/617720522.db2.gz	LJWIOGSOSNURTF-BHQIHCQQSA-N	-1	0	276.238	3.272	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cc(C)c(C)cc1Cl	ZINC000900337639	620779928	/nfs/dbraw/zinc/77/99/28/620779928.db2.gz	LWVYFEYRWFHNMN-UHFFFAOYSA-N	-1	0	296.754	3.061	20	30		CGEDRM
COCCOc1cccc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000255328616	618206903	/nfs/dbraw/zinc/20/69/03/618206903.db2.gz	HFYPMFJCZUMDQA-KTKRTIGZSA-N	-1	0	298.338	3.314	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2cccc(F)c2)c1	ZINC000255506390	618620555	/nfs/dbraw/zinc/62/05/55/618620555.db2.gz	ZCQIJIBPFWCKNP-ALCCZGGFSA-N	-1	0	282.274	3.055	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc(O)c2)c([O-])c1	ZINC000255510280	618637292	/nfs/dbraw/zinc/63/72/92/618637292.db2.gz	SHQJKJOOWNIORV-VURMDHGXSA-N	-1	0	254.285	3.302	20	30		CGEDRM
CCCOc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176827406	618742383	/nfs/dbraw/zinc/74/23/83/618742383.db2.gz	SNMZROIDDUDKGL-UHFFFAOYSA-N	-1	0	296.326	3.305	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccsc1	ZINC000255682714	618776976	/nfs/dbraw/zinc/77/69/76/618776976.db2.gz	KPGPFIPJJNMJBU-RQOWECAXSA-N	-1	0	275.285	3.258	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000072595109	625312255	/nfs/dbraw/zinc/31/22/55/625312255.db2.gz	NAHRUSYYTIKZES-NSHDSACASA-N	-1	0	283.393	3.385	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909518577	619810899	/nfs/dbraw/zinc/81/08/99/619810899.db2.gz	BMWCAMZFUKYLPS-CYBMUJFWSA-N	-1	0	287.359	3.082	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=Nn1cnnc1-c1ccccc1	ZINC000753164050	620325208	/nfs/dbraw/zinc/32/52/08/620325208.db2.gz	VXIPCDDOPPHTTH-UHFFFAOYSA-N	-1	0	298.733	3.186	20	30		CGEDRM
CC1(C)CCC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000899232739	620629231	/nfs/dbraw/zinc/62/92/31/620629231.db2.gz	UEBGALGPAYOYFZ-BPKVKKHESA-N	-1	0	292.335	3.067	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000901635757	620957862	/nfs/dbraw/zinc/95/78/62/620957862.db2.gz	AAXCDMGGVJRRHV-CYBMUJFWSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C(Cl)C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-]	ZINC000901940050	621071113	/nfs/dbraw/zinc/07/11/13/621071113.db2.gz	YNUTXZBPPDTKPQ-AXTRIDKLSA-N	-1	0	283.755	3.088	20	30		CGEDRM
N#Cc1ccc(-c2cccc3c2C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)s1	ZINC000906237648	622203894	/nfs/dbraw/zinc/20/38/94/622203894.db2.gz	IQQQWQMUIQIPCC-NWANDNLSSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000907577139	622302384	/nfs/dbraw/zinc/30/23/84/622302384.db2.gz	PNWAMVRHRMYRNA-ZFWWWQNUSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000909096330	622391750	/nfs/dbraw/zinc/39/17/50/622391750.db2.gz	IVZRIKSBJCJOKJ-YFHOEESVSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909078950	622393952	/nfs/dbraw/zinc/39/39/52/622393952.db2.gz	NBTSWSNXTJXGHR-OAHLLOKOSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1oc(C(=O)[O-])cc1C	ZINC000909933604	622438131	/nfs/dbraw/zinc/43/81/31/622438131.db2.gz	YVVXZHWWQZHMJJ-NEPJUHHUSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=C1CCC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1	ZINC000910476599	622488454	/nfs/dbraw/zinc/48/84/54/622488454.db2.gz	OFVGWZJASADURF-CVEARBPZSA-N	-1	0	299.370	3.162	20	30		CGEDRM
COc1ccc(C)cc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000156629814	622831216	/nfs/dbraw/zinc/83/12/16/622831216.db2.gz	SDVISQIYMLMNCM-QPJJXVBHSA-N	-1	0	284.311	3.311	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-]	ZINC000156717937	622841000	/nfs/dbraw/zinc/84/10/00/622841000.db2.gz	MHWGQKJBQRNHLL-FPYGCLRLSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000076765083	623053011	/nfs/dbraw/zinc/05/30/11/623053011.db2.gz	ZROZYDRMWIDICW-VIFPVBQESA-N	-1	0	289.784	3.421	20	30		CGEDRM
N#Cc1ccc(N2CCCC[C@@H]2CC(=O)[O-])cc1Cl	ZINC000061845304	623181970	/nfs/dbraw/zinc/18/19/70/623181970.db2.gz	PBIRCDKEQHGXCH-LLVKDONJSA-N	-1	0	278.739	3.045	20	30		CGEDRM
CC(C)CCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000914558471	623827660	/nfs/dbraw/zinc/82/76/60/623827660.db2.gz	WFNMUCSCXKAMOX-NTEUORMPSA-N	-1	0	250.298	3.156	20	30		CGEDRM
NC(=O)c1cc(N=Cc2cc(Cl)ccc2O)ccc1F	ZINC000914702178	623848259	/nfs/dbraw/zinc/84/82/59/623848259.db2.gz	YMWLAVYELCCTQW-UHFFFAOYSA-N	-1	0	292.697	3.034	20	30		CGEDRM
Cc1ccc(C)c(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000916255227	624125937	/nfs/dbraw/zinc/12/59/37/624125937.db2.gz	KULHUMDFNGPGBX-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
N#CC(C(=O)c1ccco1)=C([O-])c1cc2c(s1)CCCC2	ZINC000916871952	624220348	/nfs/dbraw/zinc/22/03/48/624220348.db2.gz	ZXCAPKQMGCQEHU-LLVKDONJSA-N	-1	0	299.351	3.425	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)cc2C)c(=O)c1CCC#N	ZINC000917345755	624261027	/nfs/dbraw/zinc/26/10/27/624261027.db2.gz	IYQLVFZUUGWAMB-LBPRGKRZSA-N	-1	0	275.739	3.291	20	30		CGEDRM
CC(C)CC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1	ZINC000917555621	624287787	/nfs/dbraw/zinc/28/77/87/624287787.db2.gz	WJOYWSBPQXTRKG-UHFFFAOYSA-N	-1	0	294.362	3.215	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccccc2F)c([O-])c1	ZINC000033447965	624326483	/nfs/dbraw/zinc/32/64/83/624326483.db2.gz	QLUANDVFMYNJND-TWGQIWQCSA-N	-1	0	272.275	3.436	20	30		CGEDRM
C[C@@H](NN=Cc1ccccc1C(=O)[O-])c1ccccc1	ZINC000920382831	624486056	/nfs/dbraw/zinc/48/60/56/624486056.db2.gz	PLDHKAKDUUQTNM-GFCCVEGCSA-N	-1	0	268.316	3.070	20	30		CGEDRM
O=C(/C=C/c1cccc2c1OCO2)c1ccc([O-])c(F)c1	ZINC000170851768	624656192	/nfs/dbraw/zinc/65/61/92/624656192.db2.gz	PGUCFPQIPANYSV-GQCTYLIASA-N	-1	0	286.258	3.156	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1O	ZINC000170851864	624656273	/nfs/dbraw/zinc/65/62/73/624656273.db2.gz	RVABCDPJDDIRAI-GORDUTHDSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C)c1	ZINC000073838484	626070422	/nfs/dbraw/zinc/07/04/22/626070422.db2.gz	BOXJWOIBNIKREC-UHFFFAOYSA-N	-1	0	283.393	3.126	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])sc1C)OCC	ZINC000923096133	626130905	/nfs/dbraw/zinc/13/09/05/626130905.db2.gz	UKFDWJILXWUWCJ-NSHDSACASA-N	-1	0	297.376	3.065	20	30		CGEDRM
Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)cc(C(=O)[O-])c1	ZINC000923106820	626131555	/nfs/dbraw/zinc/13/15/55/626131555.db2.gz	SQYWUBRKTFSJQD-QGZVFWFLSA-N	-1	0	298.342	3.106	20	30		CGEDRM
CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000103283608	626310875	/nfs/dbraw/zinc/31/08/75/626310875.db2.gz	SAIZMDUFKOGILT-ZDUSSCGKSA-N	-1	0	269.385	3.203	20	30		CGEDRM
O=C(/C=C\c1ccc(O)cc1)c1cc(F)cc(F)c1[O-]	ZINC000757476840	626782222	/nfs/dbraw/zinc/78/22/22/626782222.db2.gz	USMIJQCKFIAPMA-UTCJRWHESA-N	-1	0	276.238	3.272	20	30		CGEDRM
O=C(/C=C1/COc2ccc(F)cc21)c1ccc(F)cc1[O-]	ZINC000757476365	626782389	/nfs/dbraw/zinc/78/23/89/626782389.db2.gz	QJCCJDRBMVPHRJ-UITAMQMPSA-N	-1	0	288.249	3.329	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/Cc3ccccc3C2=O)c1	ZINC000765827790	627274376	/nfs/dbraw/zinc/27/43/76/627274376.db2.gz	YIPFWDLMCLNCST-POHAHGRESA-N	-1	0	270.309	3.269	20	30		CGEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])ccc1C#N	ZINC000766433091	627331688	/nfs/dbraw/zinc/33/16/88/627331688.db2.gz	YHPOLWUUPRKFHD-UHFFFAOYSA-N	-1	0	279.299	3.011	20	30		CGEDRM
CC(=NNc1cccc(C#N)c1)c1sccc1[O-]	ZINC000769776251	627577367	/nfs/dbraw/zinc/57/73/67/627577367.db2.gz	YVNHJMBUECJIMF-UHFFFAOYSA-N	-1	0	257.318	3.161	20	30		CGEDRM
Cc1cccc(F)c1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000769828889	627582729	/nfs/dbraw/zinc/58/27/29/627582729.db2.gz	XYQALABWVRRVCN-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
N#CC(=C([O-])C=C1CCSCC1)c1nc2ccccc2o1	ZINC000772649152	627810719	/nfs/dbraw/zinc/81/07/19/627810719.db2.gz	BVUWFTIVMBXUED-LBPRGKRZSA-N	-1	0	298.367	3.457	20	30		CGEDRM
O=C(/C=C/c1ccn(-c2ccccc2)n1)c1ccccc1[O-]	ZINC000773152056	627863005	/nfs/dbraw/zinc/86/30/05/627863005.db2.gz	DBXIFYXOULYANO-ZHACJKMWSA-N	-1	0	290.322	3.474	20	30		CGEDRM
Cc1ccc(F)cc1C=NNc1ccccc1C(=O)[O-]	ZINC000777879345	628307188	/nfs/dbraw/zinc/30/71/88/628307188.db2.gz	INXKRPNOQBACGX-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CCc1cccnc1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000779754933	628426620	/nfs/dbraw/zinc/42/66/20/628426620.db2.gz	IYYKOXRTOKBDFI-UHFFFAOYSA-N	-1	0	283.331	3.178	20	30		CGEDRM
CC(=NNc1ccc(C)cn1)c1cc(C(=O)[O-])ccc1C	ZINC000788427523	629051177	/nfs/dbraw/zinc/05/11/77/629051177.db2.gz	NLWWTMQFPLABKC-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)C1CCC(F)(F)CC1	ZINC000788722248	629075752	/nfs/dbraw/zinc/07/57/52/629075752.db2.gz	NMTSHCQFNSZDLA-UHFFFAOYSA-N	-1	0	297.305	3.393	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000862397216	629361386	/nfs/dbraw/zinc/36/13/86/629361386.db2.gz	MKGSUKZUGHCUHK-UHFFFAOYSA-N	-1	0	290.388	3.449	20	30		CGEDRM
Cc1c(NN=Cc2cnc(C3CC3)o2)cccc1C(=O)[O-]	ZINC000863123811	629479548	/nfs/dbraw/zinc/47/95/48/629479548.db2.gz	MBJKZIWTCMFFIU-UHFFFAOYSA-N	-1	0	285.303	3.005	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccccc2[O-])ccc1C#N	ZINC000799497667	630191483	/nfs/dbraw/zinc/19/14/83/630191483.db2.gz	YHZLZOUQVDUYGA-CLFYSBASSA-N	-1	0	279.295	3.169	20	30		CGEDRM
C[C@H](C=Nn1c(=O)c2ccccc2[n-]c1=S)C(C)(C)C	ZINC000800809879	630300504	/nfs/dbraw/zinc/30/05/04/630300504.db2.gz	YHZKLZZXXRSCMN-SNVBAGLBSA-N	-1	0	289.404	3.201	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC(CCC(C)C)C2CC2)n1	ZINC000802704111	630404657	/nfs/dbraw/zinc/40/46/57/630404657.db2.gz	NTNVCNQVDVJWHB-UHFFFAOYSA-N	-1	0	262.357	3.105	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1cccc(C(=O)[O-])c1	ZINC000806558806	630566983	/nfs/dbraw/zinc/56/69/83/630566983.db2.gz	MKSXIIRWYGIWCP-AATRIKPKSA-N	-1	0	288.324	3.351	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CCc2ccccc21	ZINC000812441531	631260588	/nfs/dbraw/zinc/26/05/88/631260588.db2.gz	BERXZCLEMBXRPE-UHFFFAOYSA-N	-1	0	266.300	3.147	20	30		CGEDRM
CCC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1cccc(N)c1	ZINC000814680763	631620018	/nfs/dbraw/zinc/62/00/18/631620018.db2.gz	HDTURPLZLONUEI-UHFFFAOYSA-N	-1	0	283.331	3.193	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)cc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814686747	631623035	/nfs/dbraw/zinc/62/30/35/631623035.db2.gz	YMBIUKMLAKBOPT-RKDXNWHRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
CC(N=Nc1ccccn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814731958	631631430	/nfs/dbraw/zinc/63/14/30/631631430.db2.gz	QTDSWVLPPCBIPE-NEPJUHHUSA-N	-1	0	275.352	3.006	20	30		CGEDRM
C[C@H]1C(N=Nc2ncccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814810277	631646179	/nfs/dbraw/zinc/64/61/79/631646179.db2.gz	FYCXOYMXQDQRIZ-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1C(N=Nc2c(F)cccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814853047	631655726	/nfs/dbraw/zinc/65/57/26/631655726.db2.gz	ZLFWQZZNRRLKDD-DTWKUNHWSA-N	-1	0	282.290	3.254	20	30		CGEDRM
O=C([O-])c1cccc(CN=Nc2c(F)cccc2F)c1	ZINC000814852829	631655806	/nfs/dbraw/zinc/65/58/06/631655806.db2.gz	QQIYQHQYZUDKAZ-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
CCC(CC)NN=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814851579	631655820	/nfs/dbraw/zinc/65/58/20/631655820.db2.gz	PXICMSBGTKZPHX-GFCCVEGCSA-N	-1	0	292.379	3.041	20	30		CGEDRM
Cc1ccc(F)c(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814872726	631660836	/nfs/dbraw/zinc/66/08/36/631660836.db2.gz	WSQORJTVAQMRRN-MNOVXSKESA-N	-1	0	278.327	3.423	20	30		CGEDRM
CC(C)CON=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814884213	631664062	/nfs/dbraw/zinc/66/40/62/631664062.db2.gz	ROENTDDANYMIPL-UHFFFAOYSA-N	-1	0	255.701	3.045	20	30		CGEDRM
Cc1cc2ccccc2nc1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814896317	631669944	/nfs/dbraw/zinc/66/99/44/631669944.db2.gz	SMNMQPXKEUQEHT-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H]1CCCC1(C)C	ZINC000814917647	631681134	/nfs/dbraw/zinc/68/11/34/631681134.db2.gz	NQKVKSHRZCGETP-LBPRGKRZSA-N	-1	0	266.385	3.176	20	30		CGEDRM
CC(=NNCC1CCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814933402	631688319	/nfs/dbraw/zinc/68/83/19/631688319.db2.gz	NBBSMGDKWLEWQG-KGLIPLIRSA-N	-1	0	280.412	3.279	20	30		CGEDRM
CC[C@@H](C)CON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814939371	631692733	/nfs/dbraw/zinc/69/27/33/631692733.db2.gz	OBVZMPZTDXSPSP-LLVKDONJSA-N	-1	0	275.348	3.292	20	30		CGEDRM
CC(=NOCCC1CC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814941504	631693617	/nfs/dbraw/zinc/69/36/17/631693617.db2.gz	JZAUORUBYIQJKH-LLVKDONJSA-N	-1	0	255.358	3.460	20	30		CGEDRM
C=CCN(C/C=C(\C)C(=O)[O-])Cc1ccc(Cl)s1	ZINC000825682434	633374538	/nfs/dbraw/zinc/37/45/38/633374538.db2.gz	ZXXSPBCATVMYEJ-UXBLZVDNSA-N	-1	0	285.796	3.420	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=NC1CCC(C)(C)CC1	ZINC000872395395	634130369	/nfs/dbraw/zinc/13/03/69/634130369.db2.gz	KVGPRVRSJSVJRJ-NEPJUHHUSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(=NOC(C)C)c1cccc(OCCCC(=O)[O-])c1	ZINC000834999626	634307781	/nfs/dbraw/zinc/30/77/81/634307781.db2.gz	CWOJYHBGKBTVAP-UHFFFAOYSA-N	-1	0	279.336	3.079	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)C[C@@H]1C	ZINC000835007540	634312227	/nfs/dbraw/zinc/31/22/27/634312227.db2.gz	XJKJCXMWIXFMQU-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CS1	ZINC000835009191	634313278	/nfs/dbraw/zinc/31/32/78/634313278.db2.gz	SOYSGQFRYUZPGE-ZDUSSCGKSA-N	-1	0	296.367	3.453	20	30		CGEDRM
CC(C)C1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835008964	634313671	/nfs/dbraw/zinc/31/36/71/634313671.db2.gz	LLWIUJGXOKCPHG-UHFFFAOYSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012506	634316233	/nfs/dbraw/zinc/31/62/33/634316233.db2.gz	QUUUFLWPBSHYFL-QMMMGPOBSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)C1CCC1	ZINC000835012844	634317109	/nfs/dbraw/zinc/31/71/09/634317109.db2.gz	WZTJPTMEKVPKST-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
N#CC(=C([O-])C=C[C@@H]1CCOC1)c1nc2ccccc2s1	ZINC000835040085	634329467	/nfs/dbraw/zinc/32/94/67/634329467.db2.gz	NZAUILNTPHFVIF-GKKDLHFNSA-N	-1	0	298.367	3.065	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCC2(F)F)c1	ZINC000840709547	635039097	/nfs/dbraw/zinc/03/90/97/635039097.db2.gz	NPYDWEIIRINDEM-JYMRLUDQSA-N	-1	0	284.262	3.155	20	30		CGEDRM
CC(C)(C)c1ncc(C=CC(=O)c2sccc2[O-])cn1	ZINC000840719944	635042019	/nfs/dbraw/zinc/04/20/19/635042019.db2.gz	KGLHFUZMCMSKQV-PLNGDYQASA-N	-1	0	288.372	3.437	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@@]2(C)C[C@@H]2c2ccccc2)n1	ZINC000841603511	635195200	/nfs/dbraw/zinc/19/52/00/635195200.db2.gz	JCNYBNTXTOMTIB-CZUORRHYSA-N	-1	0	282.347	3.082	20	30		CGEDRM
N#CC(=C([O-])C1=CCCC1)c1nc(C2CC2)cs1	ZINC000842940684	635519635	/nfs/dbraw/zinc/51/96/35/635519635.db2.gz	IJRMUFUQPLEWPP-LLVKDONJSA-N	-1	0	258.346	3.307	20	30		CGEDRM
C[C@@H]1C[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])CO1	ZINC000843264011	635628638	/nfs/dbraw/zinc/62/86/38/635628638.db2.gz	LWKTYIDOVFNWCL-LCAGPJKFSA-N	-1	0	274.147	3.295	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2CCC(F)CC2)c1	ZINC000843265076	635628755	/nfs/dbraw/zinc/62/87/55/635628755.db2.gz	UFFPFQVEAVBNKK-CXUHLZMHSA-N	-1	0	280.299	3.248	20	30		CGEDRM
Cc1c(N=NC[C@H]2CCCSC2)cccc1C(=O)[O-]	ZINC000844623623	635945387	/nfs/dbraw/zinc/94/53/87/635945387.db2.gz	ORUKPOXHWBLHFH-LLVKDONJSA-N	-1	0	278.377	3.234	20	30		CGEDRM
Cc1c(N=NC2CC3(CCC3)C2)cccc1C(=O)[O-]	ZINC000844625353	635946082	/nfs/dbraw/zinc/94/60/82/635946082.db2.gz	ZQFMALNQCPKLKD-UHFFFAOYSA-N	-1	0	258.321	3.425	20	30		CGEDRM
C[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000845888815	636114846	/nfs/dbraw/zinc/11/48/46/636114846.db2.gz	YTZJFLAHUNYCGX-UMSPYCQHSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](OC(C)(C)C)c1ccccc1	ZINC000846536512	636194331	/nfs/dbraw/zinc/19/43/31/636194331.db2.gz	OLSIOVBHPVTIGD-CQSZACIVSA-N	-1	0	277.364	3.167	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(C(C)C)c(C)c1	ZINC000846541633	636196228	/nfs/dbraw/zinc/19/62/28/636196228.db2.gz	JRKZUXUUOBZGOL-CYBMUJFWSA-N	-1	0	277.364	3.120	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(OC)c2)CCCC1	ZINC000846544904	636197577	/nfs/dbraw/zinc/19/75/77/636197577.db2.gz	KZHDAEJAGHAKGD-CYBMUJFWSA-N	-1	0	289.375	3.129	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCCCCC2)cc1	ZINC000848415182	636571707	/nfs/dbraw/zinc/57/17/07/636571707.db2.gz	IMTSRKHOERKLRV-UHFFFAOYSA-N	-1	0	260.337	3.436	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000851599667	637458029	/nfs/dbraw/zinc/45/80/29/637458029.db2.gz	ABERCZZZWGIAML-ZIAGYGMSSA-N	-1	0	283.412	3.306	20	30		CGEDRM
Cc1ccc(F)cc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000853393339	637833298	/nfs/dbraw/zinc/83/32/98/637833298.db2.gz	CNQRVPDAXQNCRR-QWRGUYRKSA-N	-1	0	278.327	3.423	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1F	ZINC000853438341	637843078	/nfs/dbraw/zinc/84/30/78/637843078.db2.gz	XXCYZXAVWVONMC-WDEREUQCSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccc(OC)cc2)CCCC1	ZINC000856031384	638287105	/nfs/dbraw/zinc/28/71/05/638287105.db2.gz	NOAHXQMUZTXYFS-UHFFFAOYSA-N	-1	0	289.375	3.131	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000857294254	638489294	/nfs/dbraw/zinc/48/92/94/638489294.db2.gz	BTWMMJNKVCSVPP-GFCCVEGCSA-N	-1	0	297.399	3.120	20	30		CGEDRM
N#CCCCCNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931970308	639244510	/nfs/dbraw/zinc/24/45/10/639244510.db2.gz	PIIQBPJSSRMQKE-UHFFFAOYSA-N	-1	0	287.146	3.123	20	30		CGEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1cccs1	ZINC000042320525	639915732	/nfs/dbraw/zinc/91/57/32/639915732.db2.gz	MESLLAWYAYRIDW-CSKARUKUSA-N	-1	0	293.369	3.053	20	30		CGEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)C(C)C	ZINC000076910624	640224372	/nfs/dbraw/zinc/22/43/72/640224372.db2.gz	SEANHTCBZAGTRO-AWEZNQCLSA-N	-1	0	297.420	3.369	20	30		CGEDRM
O=C(CCC1CCC1)[N-]S(=O)(=O)CC1CCCCC1	ZINC000079149750	640374763	/nfs/dbraw/zinc/37/47/63/640374763.db2.gz	XBEDDKNTDBTQOH-UHFFFAOYSA-N	-1	0	287.425	3.433	20	30		CGEDRM
CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000084692133	640610346	/nfs/dbraw/zinc/61/03/46/640610346.db2.gz	AQBDIGVSSAKOSU-UHFFFAOYSA-N	-1	0	283.393	3.404	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1	ZINC000091127199	640704398	/nfs/dbraw/zinc/70/43/98/640704398.db2.gz	HRSWCBKBNOVEHV-LLVKDONJSA-N	-1	0	299.392	3.165	20	30		CGEDRM
O=C([O-])COc1cccc(C(=O)/C=C/c2ccccc2)c1	ZINC000013357531	640966474	/nfs/dbraw/zinc/96/64/74/640966474.db2.gz	NIWLKXMIFDWKGK-MDZDMXLPSA-N	-1	0	282.295	3.046	20	30		CGEDRM
[O-]c1cc(CN2CCC(S)CC2)c(F)c(F)c1Cl	ZINC001250409565	805600534	/nfs/dbraw/zinc/60/05/34/805600534.db2.gz	WJWPFOKFGGAELR-UHFFFAOYSA-N	-1	0	293.766	3.218	20	30		CGEDRM
N#Cc1ccc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC001250587423	805709955	/nfs/dbraw/zinc/70/99/55/805709955.db2.gz	PVDPTOFNCZFFCZ-UHFFFAOYSA-N	-1	0	294.310	3.029	20	30		CGEDRM
CCCS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1C#N	ZINC001253705415	806280941	/nfs/dbraw/zinc/28/09/41/806280941.db2.gz	RZGSKOGWPBTUJC-UHFFFAOYSA-N	-1	0	293.175	3.017	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000084606496	798941753	/nfs/dbraw/zinc/94/17/53/798941753.db2.gz	HQOFNMJGMJZQAS-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1cccc([C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176403881	799096939	/nfs/dbraw/zinc/09/69/39/799096939.db2.gz	JTVACMNZLQWCTF-NSHDSACASA-N	-1	0	296.326	3.015	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1	ZINC000311497553	799224647	/nfs/dbraw/zinc/22/46/47/799224647.db2.gz	DLZSQHWBFTWKTR-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1O	ZINC000588495768	799701828	/nfs/dbraw/zinc/70/18/28/799701828.db2.gz	SLHRTXKGLBBWQP-RQOWECAXSA-N	-1	0	276.313	3.064	20	30		CGEDRM
COc1cccc(C=CC(=O)c2sccc2[O-])c1OC	ZINC000588495691	799702145	/nfs/dbraw/zinc/70/21/45/799702145.db2.gz	VVYAGVOGDLKIQA-SREVYHEPSA-N	-1	0	290.340	3.367	20	30		CGEDRM
N#CCc1ccc(NCc2ccc(F)c(F)c2[O-])cc1	ZINC000703229133	799919839	/nfs/dbraw/zinc/91/98/39/799919839.db2.gz	HHBRXBBONRJEPP-UHFFFAOYSA-N	-1	0	274.270	3.349	20	30		CGEDRM
C=C1CCC(CNC(=O)c2ccc(F)cc2[O-])CC1	ZINC000724457144	800362013	/nfs/dbraw/zinc/36/20/13/800362013.db2.gz	QOMWQWCESKIVDP-UHFFFAOYSA-N	-1	0	263.312	3.008	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)C2CCCCC2)ccc1O	ZINC000809154678	800413751	/nfs/dbraw/zinc/41/37/51/800413751.db2.gz	BAWOSOMAXXIVAK-SOFGYWHQSA-N	-1	0	274.316	3.253	20	30		CGEDRM
CCCCCc1nnc(-c2ccc([O-])c(C#N)c2)o1	ZINC001256144291	806833858	/nfs/dbraw/zinc/83/38/58/806833858.db2.gz	DJTYUJILSQIWIZ-UHFFFAOYSA-N	-1	0	257.293	3.047	20	30		CGEDRM
CC(=NN[C@@H]1CCCSC1)[C@H](C)CCCCC(=O)[O-]	ZINC001119362735	802655021	/nfs/dbraw/zinc/65/50/21/802655021.db2.gz	IDCCXZCAHHVAOV-DGCLKSJQSA-N	-1	0	286.441	3.129	20	30		CGEDRM
C=C(C)CCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-]	ZINC001123264776	802923731	/nfs/dbraw/zinc/92/37/31/802923731.db2.gz	VQNKCKLPLMJVGM-CQSZACIVSA-N	-1	0	289.375	3.092	20	30		CGEDRM
N#C[C@H]1CC=C(c2ccccc2/C=C/C(=O)[O-])CC1	ZINC001243800398	803018026	/nfs/dbraw/zinc/01/80/26/803018026.db2.gz	SPTDKXGVMXTRRH-VMPCVLLUSA-N	-1	0	253.301	3.491	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2cc(F)c(O)c(F)c2)cc1F	ZINC001244096260	803183984	/nfs/dbraw/zinc/18/39/84/803183984.db2.gz	GKLKFAIBJKVESX-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
C=CCC1(CNC(=O)c2cccc(F)c2[O-])CCCC1	ZINC001128966299	803211883	/nfs/dbraw/zinc/21/18/83/803211883.db2.gz	QYERAYSDMFVFGY-UHFFFAOYSA-N	-1	0	277.339	3.398	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(CC#N)c(F)c2)c1	ZINC001244176916	803227060	/nfs/dbraw/zinc/22/70/60/803227060.db2.gz	SLOHFJQSAOEGTR-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1ccc(-c2ccccc2S(=O)(=O)[O-])c(Cl)c1	ZINC001244326987	803306495	/nfs/dbraw/zinc/30/64/95/803306495.db2.gz	HIGSMONXZFAAHT-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c(C)n1	ZINC001244418840	803360833	/nfs/dbraw/zinc/36/08/33/803360833.db2.gz	WRCWNIGNMPUQFZ-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
N#Cc1cnc(-c2cc(OC(F)(F)F)ccc2[O-])c(F)c1	ZINC001244456833	803378717	/nfs/dbraw/zinc/37/87/17/803378717.db2.gz	GWVDZUVFMLPYKY-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
C=CCNC(=O)c1cccnc1-c1ccc(Cl)cc1[O-]	ZINC001244466402	803382199	/nfs/dbraw/zinc/38/21/99/803382199.db2.gz	IKZPDSKNVPATST-UHFFFAOYSA-N	-1	0	288.734	3.023	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244501786	803407678	/nfs/dbraw/zinc/40/76/78/803407678.db2.gz	VWFLDUHYHPSGMH-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccnc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)n1	ZINC001244510317	803413011	/nfs/dbraw/zinc/41/30/11/803413011.db2.gz	JKBUYVZUJBADGM-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
Cc1cc(-c2ccc(C#N)c(F)n2)cc(Cl)c1[O-]	ZINC001244535791	803424299	/nfs/dbraw/zinc/42/42/99/803424299.db2.gz	ANPIVYFXKSKMGM-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1ncc(-c2c(Cl)ccc([O-])c2F)cc1C#N	ZINC001244540189	803427839	/nfs/dbraw/zinc/42/78/39/803427839.db2.gz	SIIDYROHYIVDNP-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccc(/C=N/[O-])c(F)c2)c1	ZINC001244556754	803437157	/nfs/dbraw/zinc/43/71/57/803437157.db2.gz	NKQGSZBAJHCALD-QGMBQPNBSA-N	-1	0	258.227	3.312	20	30		CGEDRM
N#CCc1cccc(-c2cc(C(=O)[O-])c(Cl)cc2F)n1	ZINC001244609452	803463146	/nfs/dbraw/zinc/46/31/46/803463146.db2.gz	CJWNIJGDOUDUNQ-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#CCc1cccnc1-c1ccc(Cl)c([O-])c1F	ZINC001244631396	803473844	/nfs/dbraw/zinc/47/38/44/803473844.db2.gz	UDKJSCMCXOBCMX-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
COc1ccc(-c2ccccc2/C=C/C(=O)[O-])cc1C#N	ZINC001244709570	803508513	/nfs/dbraw/zinc/50/85/13/803508513.db2.gz	WQINCFRALUAEPK-VQHVLOKHSA-N	-1	0	279.295	3.332	20	30		CGEDRM
C=CCOCc1cccc(-c2cnc(F)c(C(=O)[O-])c2)c1	ZINC001244754490	803520868	/nfs/dbraw/zinc/52/08/68/803520868.db2.gz	HQSOFPRZOFFCDP-UHFFFAOYSA-N	-1	0	287.290	3.289	20	30		CGEDRM
Cc1cc(-c2cnccc2CC#N)cc(C)c1C(=O)[O-]	ZINC001244948730	803587748	/nfs/dbraw/zinc/58/77/48/803587748.db2.gz	OFCMUKABDRHVBH-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(CC(=O)[O-])ccc2F)cc1F	ZINC001245318251	803699817	/nfs/dbraw/zinc/69/98/17/803699817.db2.gz	FJEQLPMZBDKHGT-UHFFFAOYSA-N	-1	0	291.228	3.270	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2Cl)ncc1C#N	ZINC001245371274	803717001	/nfs/dbraw/zinc/71/70/01/803717001.db2.gz	LFUHADHXUFNSLK-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C(=O)[O-])cc3Cl)c12	ZINC001245373515	803718659	/nfs/dbraw/zinc/71/86/59/803718659.db2.gz	YTIVPXUNPHSBEF-UHFFFAOYSA-N	-1	0	297.701	3.405	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cc([O-])c(F)c(F)c1F	ZINC001245637077	803873878	/nfs/dbraw/zinc/87/38/78/803873878.db2.gz	SLVZGLHUTNFFAF-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1ccnc(-c2cc(Cl)c([O-])cc2F)c1C#N	ZINC001245668134	803896287	/nfs/dbraw/zinc/89/62/87/803896287.db2.gz	OVHUSHNUJAEVNU-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1cc(C#N)nc(-c2c(F)ccc([O-])c2Cl)c1	ZINC001245826078	803981651	/nfs/dbraw/zinc/98/16/51/803981651.db2.gz	AUMOHRYLKUFCLK-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1ccc(-c2c(F)ccc([O-])c2Cl)nc1F	ZINC001245830780	803985148	/nfs/dbraw/zinc/98/51/48/803985148.db2.gz	YPGBEUQSUHNIQW-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccnc(Cl)c3)[n-]2)cc1	ZINC001245936626	804066902	/nfs/dbraw/zinc/06/69/02/804066902.db2.gz	BYGPTQHKLOPHEL-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccccc2OC(F)(F)F)[n-]1	ZINC001245951222	804085407	/nfs/dbraw/zinc/08/54/07/804085407.db2.gz	AIHADTKSIYBXJD-UHFFFAOYSA-N	-1	0	296.248	3.042	20	30		CGEDRM
CCCCCCCCCc1cc(=O)n(C[C@H](C)O)[n-]1	ZINC001245955584	804090317	/nfs/dbraw/zinc/09/03/17/804090317.db2.gz	XUAARFLMAMSUTF-ZDUSSCGKSA-N	-1	0	268.401	3.263	20	30		CGEDRM
N#C[C@@H]1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140833073	804531689	/nfs/dbraw/zinc/53/16/89/804531689.db2.gz	OKGWNOUTOYKGFX-QMMMGPOBSA-N	-1	0	271.147	3.044	20	30		CGEDRM
N#Cc1cncc(Nc2ccc(C(=O)[O-])cc2Cl)c1	ZINC001248545164	804947562	/nfs/dbraw/zinc/94/75/62/804947562.db2.gz	MJISWHOHYRATHC-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
CC[C@](C)(CC(=O)[O-])Cc1nc(-c2cccc(C#N)c2)no1	ZINC001248980584	805063624	/nfs/dbraw/zinc/06/36/24/805063624.db2.gz	KIOHMALVAOAPQD-INIZCTEOSA-N	-1	0	299.330	3.042	20	30		CGEDRM
N#Cc1oc2ccccc2c1[N-]C(=O)c1cc(F)ncc1F	ZINC001146961814	805099506	/nfs/dbraw/zinc/09/95/06/805099506.db2.gz	AEJBSNQRONOJOD-UHFFFAOYSA-N	-1	0	299.236	3.230	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CCCC[C@H]1C#N	ZINC001249697106	805217633	/nfs/dbraw/zinc/21/76/33/805217633.db2.gz	RCVBYRUJRMUWSJ-NSHDSACASA-N	-1	0	291.445	3.483	20	30		CGEDRM
CC[C@@H](CC#N)NC(=S)[N-]c1ccccc1SC	ZINC001249712658	805220849	/nfs/dbraw/zinc/22/08/49/805220849.db2.gz	DSAUAENESBHOGG-JTQLQIEISA-N	-1	0	279.434	3.387	20	30		CGEDRM
Cc1cccc2[nH]c(C(=O)Nc3ccc(O)c(C#N)c3)cc21	ZINC001151077757	805280565	/nfs/dbraw/zinc/28/05/65/805280565.db2.gz	QRFVBZHLWLAUFI-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
Cc1coc(Nc2cc([O-])c(F)c(F)c2F)c1C#N	ZINC001249961588	805328535	/nfs/dbraw/zinc/32/85/35/805328535.db2.gz	UFXOSDPRVRMWFY-UHFFFAOYSA-N	-1	0	268.194	3.326	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1ccc(Cl)c([O-])c1	ZINC001212594188	815081410	/nfs/dbraw/zinc/08/14/10/815081410.db2.gz	TYRIDNXJXSKNOK-UHFFFAOYSA-N	-1	0	259.696	3.243	20	30		CGEDRM
CC(=O)Nc1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001212701942	815107592	/nfs/dbraw/zinc/10/75/92/815107592.db2.gz	SXVOOGBWWTZTSW-UHFFFAOYSA-N	-1	0	291.307	3.166	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C#N)s1	ZINC001260678495	807699136	/nfs/dbraw/zinc/69/91/36/807699136.db2.gz	OJUIGGNMNZVSLC-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
O=C([O-])Cc1c[nH]c2cc(Cl)c(NCCCS)cc12	ZINC001171003237	807957096	/nfs/dbraw/zinc/95/70/96/807957096.db2.gz	PEEQIZMLHHGDMB-UHFFFAOYSA-N	-1	0	298.795	3.180	20	30		CGEDRM
N#Cc1cc(Nc2ccc3n[nH]cc3c2)c([O-])cc1F	ZINC001174272529	808918593	/nfs/dbraw/zinc/91/85/93/808918593.db2.gz	DQDDITBHNNTCNA-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1sccc1C#N	ZINC001174670606	809125494	/nfs/dbraw/zinc/12/54/94/809125494.db2.gz	MXTCKYWXVGXMFA-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(Nc2cc(F)cc(C#N)c2)ccc1C(=O)[O-]	ZINC001174685046	809130018	/nfs/dbraw/zinc/13/00/18/809130018.db2.gz	MJSVOFQFAFBRBU-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2cccc(CC#N)c2)ccc1C(=O)[O-]	ZINC001174687589	809130984	/nfs/dbraw/zinc/13/09/84/809130984.db2.gz	YVIYTGUPHFSBMX-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
COc1cc(F)c(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001174929767	809204018	/nfs/dbraw/zinc/20/40/18/809204018.db2.gz	DOSGRKHNEJPGKG-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1ccccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175218472	809311797	/nfs/dbraw/zinc/31/17/97/809311797.db2.gz	FWWIWKPEHXWFRV-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
Cc1cc(Cl)nc(Nc2cccc(C(=O)[O-])c2)c1C#N	ZINC001175330635	809358724	/nfs/dbraw/zinc/35/87/24/809358724.db2.gz	NSKLJSZLJMQOPO-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1nnc(-c2cccc(Nc3scc([O-])c3C#N)c2)o1	ZINC001175990696	809594374	/nfs/dbraw/zinc/59/43/74/809594374.db2.gz	YAJUHNYMIBDYPJ-UHFFFAOYSA-N	-1	0	298.327	3.427	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2csc(C(=O)[O-])c2)cn1	ZINC001176437191	809696552	/nfs/dbraw/zinc/69/65/52/809696552.db2.gz	SHNBDDYTKHVWEM-UHFFFAOYSA-N	-1	0	287.344	3.386	20	30		CGEDRM
N#Cc1c(F)c(F)cc(Nc2csc(C(=O)[O-])c2)c1F	ZINC001176440188	809698714	/nfs/dbraw/zinc/69/87/14/809698714.db2.gz	GOAVSYGFSAURRT-UHFFFAOYSA-N	-1	0	298.245	3.479	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001176592577	809726636	/nfs/dbraw/zinc/72/66/36/809726636.db2.gz	JPKUCVBMGWDTJK-RMKNXTFCSA-N	-1	0	264.284	3.400	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595723	809727389	/nfs/dbraw/zinc/72/73/89/809727389.db2.gz	UNDBZLPISVARHC-WEVVVXLNSA-N	-1	0	294.310	3.408	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2)c(C#N)c1	ZINC001176712435	809747021	/nfs/dbraw/zinc/74/70/21/809747021.db2.gz	ZAGYQBVLVJCNKX-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213632120	815314070	/nfs/dbraw/zinc/31/40/70/815314070.db2.gz	WKRBDLBVAISESG-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
N#Cc1cnccc1Nc1cc(C(F)(F)F)ccc1[S-]	ZINC001214013031	815355736	/nfs/dbraw/zinc/35/57/36/815355736.db2.gz	BNUAUMGOUGFKCG-UHFFFAOYSA-N	-1	0	295.289	3.426	20	30		CGEDRM
CC(C)C[C@@](C)(C#N)NC(=O)c1cccc([S-])c1	ZINC001186167640	810317763	/nfs/dbraw/zinc/31/77/63/810317763.db2.gz	ZCRKVBDTUUYRKK-AWEZNQCLSA-N	-1	0	262.378	3.033	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)NC2CCCCCC2)c1	ZINC001191270571	810695411	/nfs/dbraw/zinc/69/54/11/810695411.db2.gz	ZJBXNYLZWWBTRI-UHFFFAOYSA-N	-1	0	273.336	3.108	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2c([O-])ccc(F)c2F)cc1F	ZINC001192769997	810820450	/nfs/dbraw/zinc/82/04/50/810820450.db2.gz	QKFWQHPTARPUQR-UHFFFAOYSA-N	-1	0	291.228	3.043	20	30		CGEDRM
CC(C)CCC[C@@H](C)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658130	810930462	/nfs/dbraw/zinc/93/04/62/810930462.db2.gz	UXIBQVUJAAFLQR-GFCCVEGCSA-N	-1	0	274.364	3.208	20	30		CGEDRM
C=CCOC(=O)Nc1cc(Cl)c([O-])cc1Cl	ZINC001194318924	811051439	/nfs/dbraw/zinc/05/14/39/811051439.db2.gz	DPEGPJXIIOUCSA-UHFFFAOYSA-N	-1	0	262.092	3.434	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1c(Cl)ccc([O-])c1F	ZINC001214558429	815424158	/nfs/dbraw/zinc/42/41/58/815424158.db2.gz	UNYKBFIRLMGMEX-UHFFFAOYSA-N	-1	0	281.649	3.334	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(F)c(F)c2[O-])c1	ZINC001214601380	815429988	/nfs/dbraw/zinc/42/99/88/815429988.db2.gz	IMVGGJOQEHMJMD-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c([O-])c1	ZINC001195751429	811287008	/nfs/dbraw/zinc/28/70/08/811287008.db2.gz	UNEGPOFYLXYVSD-MRXNPFEDSA-N	-1	0	298.386	3.449	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(Cl)c1CO	ZINC001214644528	815437206	/nfs/dbraw/zinc/43/72/06/815437206.db2.gz	LNWKDGWUQXWVSN-UHFFFAOYSA-N	-1	0	280.736	3.215	20	30		CGEDRM
N#Cc1ccc(Nc2cc(C(=O)[O-])cnc2F)cc1Cl	ZINC001215128035	815486638	/nfs/dbraw/zinc/48/66/38/815486638.db2.gz	HFEPNEVIISLCLG-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c3n[nH]cc32)c([O-])cc1F	ZINC001215380642	815512957	/nfs/dbraw/zinc/51/29/57/815512957.db2.gz	WJRUMQGVZLJFNX-UHFFFAOYSA-N	-1	0	286.241	3.162	20	30		CGEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1C#N	ZINC001203292577	812295703	/nfs/dbraw/zinc/29/57/03/812295703.db2.gz	JMNZZFSSJCMODS-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccc(C(=O)[O-])cc2F)cc1F	ZINC001203299449	812300611	/nfs/dbraw/zinc/30/06/11/812300611.db2.gz	NLVNBEIMWURFHV-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1ccccc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1	ZINC001204655960	812701572	/nfs/dbraw/zinc/70/15/72/812701572.db2.gz	CFYKRXHZJMSSCI-UHFFFAOYSA-N	-1	0	279.319	3.247	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001206025141	813170382	/nfs/dbraw/zinc/17/03/82/813170382.db2.gz	LKLYEICGIUXPQD-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1c[nH]c2ncc(Nc3cc(C#N)c(F)cc3[O-])cc12	ZINC001206054625	813183589	/nfs/dbraw/zinc/18/35/89/813183589.db2.gz	AJVNLBXOBKHIST-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])cc(F)c2)c(C#N)c1	ZINC001208198324	813742717	/nfs/dbraw/zinc/74/27/17/813742717.db2.gz	CFFIHUQJUWPBEB-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
COc1ccc(Nc2scc(C)c2C#N)cc1C(=O)[O-]	ZINC001209896897	814192523	/nfs/dbraw/zinc/19/25/23/814192523.db2.gz	OSNGCJRSXCGADO-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)ccc2F)cc1C(=O)[O-]	ZINC001209902504	814194503	/nfs/dbraw/zinc/19/45/03/814194503.db2.gz	BNXKQYWQQMHXRZ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210071713	814272720	/nfs/dbraw/zinc/27/27/20/814272720.db2.gz	NTMAXSQVIQBNDH-UHFFFAOYSA-N	-1	0	291.310	3.109	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1cccc(CC(=O)[O-])c1	ZINC001210073107	814273890	/nfs/dbraw/zinc/27/38/90/814273890.db2.gz	GUKFOWPVPBWFFB-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cccc(CC(=O)[O-])c1	ZINC001210072438	814273993	/nfs/dbraw/zinc/27/39/93/814273993.db2.gz	YARVAUQFSBTZIY-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1cc(Nc2cccc(CC(=O)[O-])c2)cc(F)c1F	ZINC001210073085	814274230	/nfs/dbraw/zinc/27/42/30/814274230.db2.gz	FXJDFNAZJBSQCH-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210241768	814362088	/nfs/dbraw/zinc/36/20/88/814362088.db2.gz	VICQMCLVYKIFMO-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(F)c1F	ZINC001210398438	814443632	/nfs/dbraw/zinc/44/36/32/814443632.db2.gz	ZABXVKLUXYSKSA-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210398390	814444806	/nfs/dbraw/zinc/44/48/06/814444806.db2.gz	XPABMIPWENYPPB-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1cc(F)ccc1[N-]c1nnc(-c2ccco2)o1	ZINC001210550737	814521512	/nfs/dbraw/zinc/52/15/12/814521512.db2.gz	BHYOQVDKWHSIGZ-UHFFFAOYSA-N	-1	0	270.223	3.084	20	30		CGEDRM
Cc1ccc(Nc2ccnc(Cl)c2[O-])c(C#N)c1	ZINC001210564921	814530630	/nfs/dbraw/zinc/53/06/30/814530630.db2.gz	PALPKMKEVNEMJV-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1cc(Nc2cccnc2OC(F)F)c([O-])cc1F	ZINC001210628489	814563119	/nfs/dbraw/zinc/56/31/19/814563119.db2.gz	CFFPJXYZTHPALU-UHFFFAOYSA-N	-1	0	295.220	3.143	20	30		CGEDRM
CC(C)Oc1cc(Nc2scc([O-])c2C#N)ccn1	ZINC001215766777	815582305	/nfs/dbraw/zinc/58/23/05/815582305.db2.gz	NLLOOIYPCJVSEW-UHFFFAOYSA-N	-1	0	275.333	3.251	20	30		CGEDRM
COc1c(Nc2sccc2C#N)cccc1C(=O)[O-]	ZINC001211032658	814713408	/nfs/dbraw/zinc/71/34/08/814713408.db2.gz	VEXQUPWVPCCZIC-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1OC	ZINC001211037251	814714349	/nfs/dbraw/zinc/71/43/49/814714349.db2.gz	PJLSYSCGKJWNNM-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cccc([O-])c3Cl)ccc12	ZINC001242801670	823137246	/nfs/dbraw/zinc/13/72/46/823137246.db2.gz	VUXYHKYMLWPKCL-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(C)c(C(=O)[O-])c2)c1	ZINC001211596530	814915176	/nfs/dbraw/zinc/91/51/76/814915176.db2.gz	FUXQMMWEIOTRRT-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
COCOc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001211633090	814922137	/nfs/dbraw/zinc/92/21/37/814922137.db2.gz	LXYKFYVWVFCYKB-UHFFFAOYSA-N	-1	0	276.317	3.052	20	30		CGEDRM
Cc1cc(Nc2cc(F)cnc2C#N)cc(C)c1C(=O)[O-]	ZINC001216309443	815774913	/nfs/dbraw/zinc/77/49/13/815774913.db2.gz	WCBNEFOOOOZRFI-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
N#Cc1cc2nc(-c3cccc([S-])c3)ccc2[nH]1	ZINC001242865153	823157878	/nfs/dbraw/zinc/15/78/78/823157878.db2.gz	WPDKQKPDYYNMGV-UHFFFAOYSA-N	-1	0	251.314	3.390	20	30		CGEDRM
Cc1c(Nc2c(C#N)cccc2C#N)cccc1C(=O)[O-]	ZINC001216660021	815887362	/nfs/dbraw/zinc/88/73/62/815887362.db2.gz	CFQBOJHGDGXXPG-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1c(Nc2cccc(C#N)c2F)cccc1C(=O)[O-]	ZINC001216661678	815889052	/nfs/dbraw/zinc/88/90/52/815889052.db2.gz	PDLFQZRQLYBNPP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cccc(-c2noc(-c3cccc(C#N)c3[O-])n2)c1F	ZINC001216978572	815903904	/nfs/dbraw/zinc/90/39/04/815903904.db2.gz	BPHDRZITCREQFS-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1cc(F)cc(-c2noc(-c3ccc(C#N)cc3[O-])n2)c1	ZINC001217038942	815907424	/nfs/dbraw/zinc/90/74/24/815907424.db2.gz	LNRMNHZBFWTHGH-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#CCc1cccc(-c2ccccc2C(=O)[O-])c1F	ZINC001242877817	823161984	/nfs/dbraw/zinc/16/19/84/823161984.db2.gz	DHLCKOAKXILFOT-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])OC2CCC(C)CC2)c1	ZINC001223892090	816698939	/nfs/dbraw/zinc/69/89/39/816698939.db2.gz	AZZOWBRVFKXGML-MSUUIHNZSA-N	-1	0	293.363	3.435	20	30		CGEDRM
C#C[C@H](CC(C)C)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885940	817206941	/nfs/dbraw/zinc/20/69/41/817206941.db2.gz	QASSYQZDCRMADM-SSDOTTSWSA-N	-1	0	276.229	3.375	20	30		CGEDRM
C=C(C)C[C@@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)C(=C)C	ZINC001225978522	817236154	/nfs/dbraw/zinc/23/61/54/817236154.db2.gz	SYYZFBDIUYTYQX-SECBINFHSA-N	-1	0	288.269	3.491	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226014249	817249515	/nfs/dbraw/zinc/24/95/15/817249515.db2.gz	UNSFWDVYCVUOTD-FZMZJTMJSA-N	-1	0	288.322	3.478	20	30		CGEDRM
CCC[C@@H](Oc1nccc(/C=N/O)n1)c1ccccc1	ZINC001226254613	817312326	/nfs/dbraw/zinc/31/23/26/817312326.db2.gz	AYKVZFXUPIRNRP-SWEABUAFSA-N	-1	0	271.320	3.205	20	30		CGEDRM
C=CC[C@H](CCC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481048	817371445	/nfs/dbraw/zinc/37/14/45/817371445.db2.gz	BLIUWJXMWREEMF-LLVKDONJSA-N	-1	0	264.321	3.424	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2ccccc21)C(C)C	ZINC001226980737	817524023	/nfs/dbraw/zinc/52/40/23/817524023.db2.gz	KXLATLPUIKAJBZ-CYBMUJFWSA-N	-1	0	258.321	3.315	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227112109	817561349	/nfs/dbraw/zinc/56/13/49/817561349.db2.gz	WBFWLAYEPMUQLH-VIFPVBQESA-N	-1	0	256.733	3.268	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc3ncnc(C#N)c3c2)c1	ZINC001243176672	823273906	/nfs/dbraw/zinc/27/39/06/823273906.db2.gz	BWNPTYHLCCOIHO-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
COc1cccc(-c2cc(C)cc(C(=O)[O-])c2)c1C#N	ZINC001243179589	823275897	/nfs/dbraw/zinc/27/58/97/823275897.db2.gz	YXFLSKMBXOMDGH-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
COc1nc(C)c(-c2cc(C)cc(C(=O)[O-])c2)c(C)c1C#N	ZINC001243182091	823277463	/nfs/dbraw/zinc/27/74/63/823277463.db2.gz	GEUKPPRRIFAUNH-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
C#C[C@H](CCCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227606004	817680647	/nfs/dbraw/zinc/68/06/47/817680647.db2.gz	WAUNPYCOGPYEMA-SSDOTTSWSA-N	-1	0	275.135	3.060	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(C)c(C(=O)[O-])c1	ZINC001243193596	823283589	/nfs/dbraw/zinc/28/35/89/823283589.db2.gz	GDOXEEXNBNBQBS-UHFFFAOYSA-N	-1	0	293.326	3.291	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001243214545	823295892	/nfs/dbraw/zinc/29/58/92/823295892.db2.gz	RLCATXIRCMFJMS-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228391256	817895783	/nfs/dbraw/zinc/89/57/83/817895783.db2.gz	UQFOOKMCMJUKBK-LLVKDONJSA-N	-1	0	262.696	3.142	20	30		CGEDRM
Cc1nccc(-c2cc(Cl)cc(C(=O)[O-])c2)c1C#N	ZINC001243327401	823349626	/nfs/dbraw/zinc/34/96/26/823349626.db2.gz	SUJHIPWBMVWHAN-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
C#C[C@@H](CCCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832042	818714816	/nfs/dbraw/zinc/71/48/16/818714816.db2.gz	CAWJWHHTBNIYND-LBPRGKRZSA-N	-1	0	272.300	3.069	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](CC(C)C)C(C)C)c1C#N	ZINC001233915685	818730848	/nfs/dbraw/zinc/73/08/48/818730848.db2.gz	XAKGRYDVHDLWKY-CYBMUJFWSA-N	-1	0	262.353	3.417	20	30		CGEDRM
CC(C)C[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511377	818870812	/nfs/dbraw/zinc/87/08/12/818870812.db2.gz	OFJNJPXCKWCCCI-SNVBAGLBSA-N	-1	0	271.320	3.020	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)(C)C	ZINC001234530109	818876178	/nfs/dbraw/zinc/87/61/78/818876178.db2.gz	HIIZBWXYPVSVPL-ZDUSSCGKSA-N	-1	0	285.347	3.411	20	30		CGEDRM
C[C@H](Oc1ccccc1C=N[O-])c1cccnc1F	ZINC001234820885	818926900	/nfs/dbraw/zinc/92/69/00/818926900.db2.gz	ZWGNJOJKJXFYEH-JTQLQIEISA-N	-1	0	260.268	3.169	20	30		CGEDRM
N#CCc1ccc(-c2c(F)cc(F)c([O-])c2F)cc1C#N	ZINC001235999031	819267142	/nfs/dbraw/zinc/26/71/42/819267142.db2.gz	VCXKSVDUZNCNMR-UHFFFAOYSA-N	-1	0	288.228	3.414	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])cc3)nc2)CC1	ZINC001236053658	819290489	/nfs/dbraw/zinc/29/04/89/819290489.db2.gz	JTOJDRPRFKMYTI-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(C(=O)[O-])cc2)cc1F	ZINC001236061661	819294816	/nfs/dbraw/zinc/29/48/16/819294816.db2.gz	FRKTYVNRPRSDHZ-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3ccc(C(=O)[O-])cc3)cc12	ZINC001236062084	819295229	/nfs/dbraw/zinc/29/52/29/819295229.db2.gz	ZICDKQLMTVGCEA-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#Cc1cccc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236145113	819345125	/nfs/dbraw/zinc/34/51/25/819345125.db2.gz	YGHXBJNHBPAIPM-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1ccc(C#N)c(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236144475	819345353	/nfs/dbraw/zinc/34/53/53/819345353.db2.gz	UDZCTCBNMVZHAT-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1cnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c(F)c1	ZINC001236148543	819346887	/nfs/dbraw/zinc/34/68/87/819346887.db2.gz	QGZOURVYFLGRHL-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
Cc1ccc(F)c(-c2nccc3[nH]cc(C#N)c32)c1[O-]	ZINC001236390168	819446100	/nfs/dbraw/zinc/44/61/00/819446100.db2.gz	IADRRWYLFPUUOT-UHFFFAOYSA-N	-1	0	267.263	3.255	20	30		CGEDRM
CCCCN(CC#N)Cc1ccc(OC)c(Cl)c1[O-]	ZINC001236807394	819601663	/nfs/dbraw/zinc/60/16/63/819601663.db2.gz	ORFNZTIOWNPJCZ-UHFFFAOYSA-N	-1	0	282.771	3.180	20	30		CGEDRM
CCCN(CCC#N)Cc1cc(F)c([O-])c(Cl)c1	ZINC001237987428	819903375	/nfs/dbraw/zinc/90/33/75/819903375.db2.gz	AHGFOOWNGNGRAR-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])cc1F	ZINC001239256741	820241896	/nfs/dbraw/zinc/24/18/96/820241896.db2.gz	OATMCAWSDBCSKQ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(-c2ccc(C(F)(F)F)cc2[O-])ncc1C#N	ZINC001243604400	823463987	/nfs/dbraw/zinc/46/39/87/823463987.db2.gz	IEBGTMWLNWAEQF-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(C(=O)[O-])cc2F)c1F	ZINC001239266490	820247625	/nfs/dbraw/zinc/24/76/25/820247625.db2.gz	IDMZVIVGNWWIGG-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
Cc1cc(/C=C/c2ccc(C#N)cc2)cnc1C(=O)[O-]	ZINC001239303716	820258098	/nfs/dbraw/zinc/25/80/98/820258098.db2.gz	WDRIOPMJNNALMO-QPJJXVBHSA-N	-1	0	264.284	3.130	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1cc(F)ccc1[O-]	ZINC001240694068	821249088	/nfs/dbraw/zinc/24/90/88/821249088.db2.gz	OPVFPXBLKWTCFW-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1ccc(C(=O)[O-])cc1OC	ZINC001240734245	821287280	/nfs/dbraw/zinc/28/72/80/821287280.db2.gz	QJUBLBCNEIKWJJ-UHFFFAOYSA-N	-1	0	283.327	3.492	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/O)c(F)c1	ZINC001240736069	821289471	/nfs/dbraw/zinc/28/94/71/821289471.db2.gz	IQXVMYVJUYMELT-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
Cc1cc(-c2ccc(CC(=O)[O-])cc2)cc(C)c1C#N	ZINC001240973916	821458458	/nfs/dbraw/zinc/45/84/58/821458458.db2.gz	RUWFFDDSFFZCKH-UHFFFAOYSA-N	-1	0	265.312	3.469	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240977689	821461327	/nfs/dbraw/zinc/46/13/27/821461327.db2.gz	OTVHNOPPIFRTHA-UHFFFAOYSA-N	-1	0	285.274	3.000	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001240999493	821477500	/nfs/dbraw/zinc/47/75/00/821477500.db2.gz	NLKFQLSNMSKMRP-UHFFFAOYSA-N	-1	0	284.315	3.023	20	30		CGEDRM
N#CCc1cc(-c2c(F)cc([O-])cc2F)ccc1C#N	ZINC001241122007	821578868	/nfs/dbraw/zinc/57/88/68/821578868.db2.gz	IGJHNVILXVUWHX-UHFFFAOYSA-N	-1	0	270.238	3.275	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1CC#N	ZINC001241185214	821622439	/nfs/dbraw/zinc/62/24/39/821622439.db2.gz	OWJHRUPOSAKWTL-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])c(F)c1)CCCC2	ZINC001241185670	821623181	/nfs/dbraw/zinc/62/31/81/821623181.db2.gz	YEHRVQZIPIMQFB-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
COc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1CC#N	ZINC001241245334	821667077	/nfs/dbraw/zinc/66/70/77/821667077.db2.gz	LGVWIJASLKXKPG-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(-c2ccc(F)c(C(=O)[O-])c2)c(CC#N)c1	ZINC001241246498	821668196	/nfs/dbraw/zinc/66/81/96/821668196.db2.gz	XMPSQYYOXZYFTQ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)nc1C#N	ZINC001241346102	821750054	/nfs/dbraw/zinc/75/00/54/821750054.db2.gz	WGFSCKWBLYUJOW-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1F	ZINC001241350514	821752569	/nfs/dbraw/zinc/75/25/69/821752569.db2.gz	XFFDHWRUOSHLKY-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1cccc(C(=O)[O-])c1	ZINC001241356824	821758011	/nfs/dbraw/zinc/75/80/11/821758011.db2.gz	BGAHEWHSNDHUTA-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#CCc1c(F)cccc1-c1cccc(C(=O)[O-])c1	ZINC001241361780	821763030	/nfs/dbraw/zinc/76/30/30/821763030.db2.gz	HHXSGEUFCNRHLZ-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
CCc1cc(-c2cncc(C(=O)[O-])c2)cc(CC)c1C#N	ZINC001241802539	822151505	/nfs/dbraw/zinc/15/15/05/822151505.db2.gz	KHCLGJWZMMGMCK-UHFFFAOYSA-N	-1	0	280.327	3.443	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cc(C(=O)[O-])cc(F)c1C	ZINC001242204636	822909029	/nfs/dbraw/zinc/90/90/29/822909029.db2.gz	NKTHFPCCUAIABJ-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(C(=O)[O-])cc(F)c2C)nc1C	ZINC001242205214	822909264	/nfs/dbraw/zinc/90/92/64/822909264.db2.gz	OEOKYZDRXHAHHV-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(C(=O)[O-])cc(F)c2C)n1	ZINC001242209311	822910863	/nfs/dbraw/zinc/91/08/63/822910863.db2.gz	DTKNPYOMNIWJAY-UHFFFAOYSA-N	-1	0	284.290	3.269	20	30		CGEDRM
N#CCc1ccc(-c2cccc(CC(=O)[O-])c2)cc1	ZINC001242263665	822930381	/nfs/dbraw/zinc/93/03/81/822930381.db2.gz	MZGUPFROSAAROZ-UHFFFAOYSA-N	-1	0	251.285	3.047	20	30		CGEDRM
Cc1nc(-c2cccc(C(=O)[O-])c2F)c(C#N)c(C)c1C	ZINC001242378722	822973905	/nfs/dbraw/zinc/97/39/05/822973905.db2.gz	IIDDSJGXFQTRFN-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
N#CCOc1ccccc1-c1cccc(C(=O)[O-])c1F	ZINC001242380482	822975131	/nfs/dbraw/zinc/97/51/31/822975131.db2.gz	NHFMEXBGWZYOIW-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CS)cc1	ZINC001242392530	822979554	/nfs/dbraw/zinc/97/95/54/822979554.db2.gz	VGTYWJQDNMFZGQ-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
Cn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001342924069	936483972	/nfs/dbraw/zinc/48/39/72/936483972.db2.gz	JLMUYDLZNXJJSL-FNWMBBJUSA-N	-1	0	275.327	3.030	20	30		CGEDRM
C=C(C)CCC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC001345120824	936802379	/nfs/dbraw/zinc/80/23/79/936802379.db2.gz	JNBSGFMDFYKXCF-LSDHHAIUSA-N	-1	0	287.359	3.160	20	30		CGEDRM
N#CC(=C([O-])c1scnc1C1CC1)c1cccc(F)n1	ZINC001343331574	927036795	/nfs/dbraw/zinc/03/67/95/927036795.db2.gz	ROOFLZOOOHJSSP-VIFPVBQESA-N	-1	0	287.319	3.045	20	30		CGEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000123528718	927246493	/nfs/dbraw/zinc/24/64/93/927246493.db2.gz	OBRHGZPVTUIUTJ-UHFFFAOYSA-N	-1	0	297.420	3.160	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1cc2ccccc2o1	ZINC001452741475	937397989	/nfs/dbraw/zinc/39/79/89/937397989.db2.gz	WYACILPBUGPYAB-MNOVXSKESA-N	-1	0	259.305	3.159	20	30		CGEDRM
C[C@H](CCc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228900284	932047897	/nfs/dbraw/zinc/04/78/97/932047897.db2.gz	DKCSINVGQBJPPN-GFCCVEGCSA-N	-1	0	268.316	3.059	20	30		CGEDRM
C=C[C@@H](C)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-]	ZINC001230112259	932534806	/nfs/dbraw/zinc/53/48/06/932534806.db2.gz	UWVBOXLJCARADI-ZCFIWIBFSA-N	-1	0	297.159	3.193	20	30		CGEDRM
N#C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3c4ccccc4oc32)C1	ZINC001230667130	932604864	/nfs/dbraw/zinc/60/48/64/932604864.db2.gz	SOVIFAGXXCRKOO-NXEZZACHSA-N	-1	0	295.298	3.153	20	30		CGEDRM
C[C@@H](Oc1cccc2oc(=S)[n-]c21)[C@H](C)S	ZINC001231066267	932670972	/nfs/dbraw/zinc/67/09/72/932670972.db2.gz	WBAJKEJQHVZZNB-RQJHMYQMSA-N	-1	0	255.364	3.202	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1	ZINC001304802431	932856898	/nfs/dbraw/zinc/85/68/98/932856898.db2.gz	OKQIGEGWYZKCLU-UHFFFAOYSA-N	-1	0	289.693	3.418	20	30		CGEDRM
C=CCCO[N-]C(=O)/C(=C/c1ccccc1)C(F)(F)F	ZINC001470616151	937755879	/nfs/dbraw/zinc/75/58/79/937755879.db2.gz	KFVXLWMCWPEYLX-BENRWUELSA-N	-1	0	285.265	3.256	20	30		CGEDRM
C=CC[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC001324697366	934551434	/nfs/dbraw/zinc/55/14/34/934551434.db2.gz	FREOTJIVTDGHOF-CQSZACIVSA-N	-1	0	288.347	3.105	20	30		CGEDRM
CC(C)(C)ON=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC001335209417	936133687	/nfs/dbraw/zinc/13/36/87/936133687.db2.gz	NLSBSFABMUAEAF-UHFFFAOYSA-N	-1	0	261.730	3.249	20	30		CGEDRM
CC[C@@H](F)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC001515768166	938007425	/nfs/dbraw/zinc/00/74/25/938007425.db2.gz	PZQPMMMMFUVKLY-GHMZBOCLSA-N	-1	0	293.363	3.267	20	30		CGEDRM
CC[C@H](F)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC001515768229	938007462	/nfs/dbraw/zinc/00/74/62/938007462.db2.gz	PZQPMMMMFUVKLY-MNOVXSKESA-N	-1	0	293.363	3.267	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1	ZINC001517349440	938011887	/nfs/dbraw/zinc/01/18/87/938011887.db2.gz	HSULOTFEHVXHLV-UHFFFAOYSA-N	-1	0	291.347	3.225	20	30		CGEDRM
CCn1ccnc1C(C#N)=C([O-])c1conc1C1CCCC1	ZINC001526588297	938056490	/nfs/dbraw/zinc/05/64/90/938056490.db2.gz	XFCXJDCJNOKNRN-GFCCVEGCSA-N	-1	0	298.346	3.039	20	30		CGEDRM
CN(C(=O)c1ccc(C#N)c([O-])c1)c1cccc2cc[nH]c21	ZINC001557874365	938212189	/nfs/dbraw/zinc/21/21/89/938212189.db2.gz	NQCOEMRRSAXOIU-UHFFFAOYSA-N	-1	0	291.310	3.022	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC001602718210	971373350	/nfs/dbraw/zinc/37/33/50/971373350.db2.gz	HELXXZWILWHKEC-UHFFFAOYSA-N	-1	0	273.332	3.400	20	30		CGEDRM
N#C[C@H]1CCC[C@H](OC(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001594606110	956177504	/nfs/dbraw/zinc/17/75/04/956177504.db2.gz	QHIFGZNWPOELDS-STQMWFEESA-N	-1	0	293.363	3.037	20	30		CGEDRM
Cc1cc(NC(=O)CC#Cc2ccccc2)ccc1C(=O)[O-]	ZINC001594317295	958082698	/nfs/dbraw/zinc/08/26/98/958082698.db2.gz	ZAZWBSVEZZSQTK-UHFFFAOYSA-N	-1	0	293.322	3.074	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@](C)(CC)C(=O)[O-]	ZINC000129152437	958694382	/nfs/dbraw/zinc/69/43/82/958694382.db2.gz	FLPCQWDSHMIYRX-AWEZNQCLSA-N	-1	0	257.374	3.107	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001589645402	960505866	/nfs/dbraw/zinc/50/58/66/960505866.db2.gz	ZSIOFKWROSMJTO-IOASZLSFSA-N	-1	0	283.412	3.210	20	30		CGEDRM
C=C[C@@H](Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-]	ZINC001602820272	960549775	/nfs/dbraw/zinc/54/97/75/960549775.db2.gz	GBQXCCKTGHRIAM-SNVBAGLBSA-N	-1	0	276.361	3.471	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-]	ZINC001573302077	962233999	/nfs/dbraw/zinc/23/39/99/962233999.db2.gz	PMCIXLJTAXUBGZ-UHFFFAOYSA-N	-1	0	297.713	3.309	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001573328996	962249584	/nfs/dbraw/zinc/24/95/84/962249584.db2.gz	UYGDHUUNRVXWFA-AWEZNQCLSA-N	-1	0	295.423	3.328	20	30		CGEDRM
CCCCCCCCNc1cc(-c2nn[nH]n2)cc(C)n1	ZINC001577506430	962552170	/nfs/dbraw/zinc/55/21/70/962552170.db2.gz	VYDCFUFKJJEOSG-UHFFFAOYSA-N	-1	0	288.399	3.343	20	30		CGEDRM
C=C(C)CCC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC001588554263	962768429	/nfs/dbraw/zinc/76/84/29/962768429.db2.gz	CDHHOEHMPWTWSE-AWEZNQCLSA-N	-1	0	275.348	3.239	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)c1cccc2ccccc21	ZINC001573325171	962794986	/nfs/dbraw/zinc/79/49/86/962794986.db2.gz	FWXQXRLFAJXZJO-UHFFFAOYSA-N	-1	0	283.327	3.224	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](OCCC)c1ccc(F)cc1C	ZINC001583413150	962812451	/nfs/dbraw/zinc/81/24/51/962812451.db2.gz	RGBASHDNKJNQSV-IUODEOHRSA-N	-1	0	295.354	3.224	20	30		CGEDRM
C=C(CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001573330079	962814804	/nfs/dbraw/zinc/81/48/04/962814804.db2.gz	UGJZEFKRXVNHNU-UHFFFAOYSA-N	-1	0	296.326	3.220	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C	ZINC001573332402	962833473	/nfs/dbraw/zinc/83/34/73/962833473.db2.gz	IQFQKMFQZWKTCW-STQMWFEESA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21	ZINC001573353449	963002228	/nfs/dbraw/zinc/00/22/28/963002228.db2.gz	VVMCXMMXVMHIRS-MRXNPFEDSA-N	-1	0	283.327	3.048	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)C(=C)CCC(=O)[O-]	ZINC001573360707	963041340	/nfs/dbraw/zinc/04/13/40/963041340.db2.gz	WEAJNCXWDNJLDR-UHFFFAOYSA-N	-1	0	273.332	3.165	20	30		CGEDRM
C=CC[N@@H+](CCc1ccco1)[C@@H](C(=O)[O-])c1ccccc1C	ZINC001573368831	963085949	/nfs/dbraw/zinc/08/59/49/963085949.db2.gz	SCJFDZPZQHKACX-QGZVFWFLSA-N	-1	0	299.370	3.444	20	30		CGEDRM
C#C[C@@H](N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)C(C)C	ZINC001588376376	963265733	/nfs/dbraw/zinc/26/57/33/963265733.db2.gz	DEUMSRZMJQNFHJ-OLZOCXBDSA-N	-1	0	299.292	3.079	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1	ZINC001588444435	963269318	/nfs/dbraw/zinc/26/93/18/963269318.db2.gz	CAWWDVMBTMWZBM-KRWDZBQOSA-N	-1	0	285.343	3.469	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1	ZINC001588444439	963272690	/nfs/dbraw/zinc/27/26/90/963272690.db2.gz	CHUZCNHBPXKIDO-AWEZNQCLSA-N	-1	0	290.363	3.341	20	30		CGEDRM
C=CC1(CC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])CCCCC1	ZINC001588453262	963278389	/nfs/dbraw/zinc/27/83/89/963278389.db2.gz	WGYHIFUZRQURKK-ZIAGYGMSSA-N	-1	0	293.407	3.367	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1	ZINC001588457204	963278727	/nfs/dbraw/zinc/27/87/27/963278727.db2.gz	POCVHTNSBZRMGN-GFCCVEGCSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC001588606148	963290219	/nfs/dbraw/zinc/29/02/19/963290219.db2.gz	WFBXOWGUVLHPMU-LBPRGKRZSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccccc1OCC(C)C	ZINC001588633453	963293378	/nfs/dbraw/zinc/29/33/78/963293378.db2.gz	HRIUNMCDXMURCH-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)c2ccc(C(=O)[O-])n2C)c1	ZINC001588605524	963294316	/nfs/dbraw/zinc/29/43/16/963294316.db2.gz	KQMKMJLQBGOGLX-UHFFFAOYSA-N	-1	0	284.315	3.009	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001588683118	963296451	/nfs/dbraw/zinc/29/64/51/963296451.db2.gz	UXVRDGCDEZGDPZ-AWEZNQCLSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC001588682204	963297739	/nfs/dbraw/zinc/29/77/39/963297739.db2.gz	IWXWOLJAVFCUGH-OAHLLOKOSA-N	-1	0	280.320	3.186	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1	ZINC001588681988	963299502	/nfs/dbraw/zinc/29/95/02/963299502.db2.gz	HRPGBIKLKQYQKH-AWEZNQCLSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=CCC1(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CCCCC1	ZINC001588763162	963309689	/nfs/dbraw/zinc/30/96/89/963309689.db2.gz	PXMULOANKIRVRK-ZIAGYGMSSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)CCCC1	ZINC001588764780	963309876	/nfs/dbraw/zinc/30/98/76/963309876.db2.gz	ILTHRCBFCILMEV-UHFFFAOYSA-N	-1	0	288.347	3.163	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC001588788990	963315112	/nfs/dbraw/zinc/31/51/12/963315112.db2.gz	ULDYNYGVJJPHSU-CQSZACIVSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1	ZINC001588778682	963315143	/nfs/dbraw/zinc/31/51/43/963315143.db2.gz	IWTOCHDFSVYXQW-AWEZNQCLSA-N	-1	0	298.342	3.150	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)C12CCC(CC1)C2(C)C)C(=O)[O-]	ZINC001588790157	963316692	/nfs/dbraw/zinc/31/66/92/963316692.db2.gz	RQVNZBSENFJCDO-UIORMTCPSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCC[C@@H](C(=O)O[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC001588776888	963317598	/nfs/dbraw/zinc/31/75/98/963317598.db2.gz	MBJGGOFRZULQHO-KGLIPLIRSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-]	ZINC001588783048	963317879	/nfs/dbraw/zinc/31/78/79/963317879.db2.gz	VTGZCDGOQQEOFR-UHFFFAOYSA-N	-1	0	295.310	3.217	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC001588792287	963318066	/nfs/dbraw/zinc/31/80/66/963318066.db2.gz	BXNWYTDJMBCUMT-HNNXBMFYSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=CCCCCCOC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588799955	963319196	/nfs/dbraw/zinc/31/91/96/963319196.db2.gz	RUKYLHROBAFDHM-JOCQHMNTSA-N	-1	0	268.353	3.167	20	30		CGEDRM
C=CCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl	ZINC001588804046	963320050	/nfs/dbraw/zinc/32/00/50/963320050.db2.gz	YBEGZYOPOVDKKA-UHFFFAOYSA-N	-1	0	284.699	3.325	20	30		CGEDRM
C=CCCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001588799077	963321109	/nfs/dbraw/zinc/32/11/09/963321109.db2.gz	ZZXWTDIJTZRYDH-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=CCCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588802660	963321035	/nfs/dbraw/zinc/32/10/35/963321035.db2.gz	SCZIFNGEJPPOOY-VQHVLOKHSA-N	-1	0	290.319	3.461	20	30		CGEDRM
C=CCCCCCn1nc(C)c([C@@H](C)C(=O)[O-])c1C	ZINC001588799908	963321497	/nfs/dbraw/zinc/32/14/97/963321497.db2.gz	OUJKZSWAOVQYOU-LLVKDONJSA-N	-1	0	264.369	3.434	20	30		CGEDRM
C=CCN(Cc1c(Cl)cccc1C(=O)[O-])[C@H](C)COC	ZINC001588829374	963321714	/nfs/dbraw/zinc/32/17/14/963321714.db2.gz	WXGPMPPAOAFKIJ-LLVKDONJSA-N	-1	0	297.782	3.061	20	30		CGEDRM
C=CCCCN1CCCc2c(C(=O)[O-])ccc(C)c21	ZINC001588801637	963321780	/nfs/dbraw/zinc/32/17/80/963321780.db2.gz	PUHXOWMYLIPUNF-UHFFFAOYSA-N	-1	0	259.349	3.412	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCCCO1	ZINC001589016610	963342875	/nfs/dbraw/zinc/34/28/75/963342875.db2.gz	CSBHFHQJZNSKRW-CYBMUJFWSA-N	-1	0	296.754	3.395	20	30		CGEDRM
CC(N=Nc1ccc(F)c(C(=O)[O-])c1)C1CC(F)(F)C1	ZINC001589016415	963343365	/nfs/dbraw/zinc/34/33/65/963343365.db2.gz	LXYFHODMGCALKY-UHFFFAOYSA-N	-1	0	286.253	3.357	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000312306830	963553142	/nfs/dbraw/zinc/55/31/42/963553142.db2.gz	OTZLHRVWAMWBRV-SNVBAGLBSA-N	-1	0	297.317	3.259	20	30		CGEDRM
C=CCCCCCCNC(=O)c1cccc(C(=O)[O-])c1	ZINC000312654670	963581558	/nfs/dbraw/zinc/58/15/58/963581558.db2.gz	UTZJJSALHBCULI-UHFFFAOYSA-N	-1	0	275.348	3.251	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C1CC1	ZINC000396598510	972920490	/nfs/dbraw/zinc/92/04/90/972920490.db2.gz	CJFNFYVUPSUOLM-NSHDSACASA-N	-1	0	288.347	3.057	20	30		CGEDRM
CCCCCCCCNC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001603640365	973982125	/nfs/dbraw/zinc/98/21/25/973982125.db2.gz	DQYRDLAXFMUQIU-AWEZNQCLSA-N	-1	0	283.412	3.354	20	30		CGEDRM
C[C@H](CCC#N)CNc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001592471600	978233200	/nfs/dbraw/zinc/23/32/00/978233200.db2.gz	UELQZVJSKCKKMM-OLZOCXBDSA-N	-1	0	274.364	3.302	20	30		CGEDRM
CC[C@H]1C[C@@H](CN=Nc2ccc(C)c(C(=O)[O-])c2)CCO1	ZINC001595407784	980994515	/nfs/dbraw/zinc/99/45/15/980994515.db2.gz	CXOHEMCQIMBDRZ-JSGCOSHPSA-N	-1	0	290.363	3.296	20	30		CGEDRM
CC/C=C\CCON=C(C)c1ccc(OCC(=O)[O-])cc1	ZINC001595520316	981335810	/nfs/dbraw/zinc/33/58/10/981335810.db2.gz	DYIOVCNSXWJIHZ-NGYFSHPWSA-N	-1	0	291.347	3.247	20	30		CGEDRM
CCCCCCCC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O	ZINC001595705048	982281539	/nfs/dbraw/zinc/28/15/39/982281539.db2.gz	OSJHJDSVCVCEDU-UHFFFAOYSA-N	-1	0	294.351	3.215	20	30		CGEDRM
CCOc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001597149374	986918635	/nfs/dbraw/zinc/91/86/35/986918635.db2.gz	GEFACDJNKPBLDJ-SREVYHEPSA-N	-1	0	286.283	3.273	20	30		CGEDRM
CCc1oc(CNc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC001597805146	989410667	/nfs/dbraw/zinc/41/06/67/989410667.db2.gz	UGNIQGRIEWKWTD-UHFFFAOYSA-N	-1	0	270.288	3.024	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2ccc(F)c(C(=O)[O-])c2)CC1	ZINC001599102806	997419294	/nfs/dbraw/zinc/41/92/94/997419294.db2.gz	JXNJIFFHGIJSBA-LBPRGKRZSA-N	-1	0	294.326	3.271	20	30		CGEDRM
COc1ccc(C)cc1C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001599534517	997718329	/nfs/dbraw/zinc/71/83/29/997718329.db2.gz	VDXGDSOFYPSYTI-PLNGDYQASA-N	-1	0	286.283	3.191	20	30		CGEDRM
CCC[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(C)(C)C	ZINC000590773483	346874421	/nfs/dbraw/zinc/87/44/21/346874421.db2.gz	CTKZFSKRYPQNAJ-AWEZNQCLSA-N	-1	0	274.364	3.208	20	30		CGEDRM
N#Cc1c(Cl)cccc1N1CCC(CCC(=O)[O-])CC1	ZINC000052903416	345110222	/nfs/dbraw/zinc/11/02/22/345110222.db2.gz	FNIJJFKSOJPBFS-UHFFFAOYSA-N	-1	0	292.766	3.293	20	30		CGEDRM
N#Cc1ccc(N2CCC(CCC(=O)[O-])CC2)cc1Cl	ZINC000061845412	345236176	/nfs/dbraw/zinc/23/61/76/345236176.db2.gz	JRYJDIMJVOWVGU-UHFFFAOYSA-N	-1	0	292.766	3.293	20	30		CGEDRM
N#CCc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000077011700	345556729	/nfs/dbraw/zinc/55/67/29/345556729.db2.gz	PUXXVQHGEQNKSY-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
C[C@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@H]1C(=O)[O-]	ZINC000595968006	347373421	/nfs/dbraw/zinc/37/34/21/347373421.db2.gz	CQXWZUJXJMDNFF-JOYOIKCWSA-N	-1	0	294.301	3.043	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2cccc(C(F)F)c2C#N)C1	ZINC000595968233	347373610	/nfs/dbraw/zinc/37/36/10/347373610.db2.gz	JDSRNPQYZXYQSI-UWVGGRQHSA-N	-1	0	294.301	3.043	20	30		CGEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ccc(Cl)cc1	ZINC000740619099	571843390	/nfs/dbraw/zinc/84/33/90/571843390.db2.gz	BMKOGLHCNLHAAA-VIFPVBQESA-N	-1	0	281.743	3.176	20	30		CGEDRM
CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601933034	347925950	/nfs/dbraw/zinc/92/59/50/347925950.db2.gz	XDUXJWMSKATQPL-UKRRQHHQSA-N	-1	0	281.359	3.333	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1c(-c2ccccc2)[n-][nH]c1=O	ZINC000615280115	348728990	/nfs/dbraw/zinc/72/89/90/348728990.db2.gz	AZDFJPXFPDFAPR-NSHDSACASA-N	-1	0	285.347	3.323	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000630228766	350818736	/nfs/dbraw/zinc/81/87/36/350818736.db2.gz	DZCGLNSMRANROT-UHFFFAOYSA-N	-1	0	275.348	3.025	20	30		CGEDRM
C=CC1CCN(C(=O)CC2(C(=O)[O-])CCCCCC2)CC1	ZINC000634904159	351602535	/nfs/dbraw/zinc/60/25/35/351602535.db2.gz	IOBLVDBRLXXRIR-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)CC2(C(=O)[O-])CCCCC2)C1	ZINC000634927390	351605008	/nfs/dbraw/zinc/60/50/08/351605008.db2.gz	NSMLEYUTFVGRRX-AWEZNQCLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(C)C)nc2)n1	ZINC000121865373	370901250	/nfs/dbraw/zinc/90/12/50/370901250.db2.gz	NLUKZCGLBKOTJV-GFCCVEGCSA-N	-1	0	285.372	3.460	20	30		CGEDRM
Cc1c(NCc2ccc(C#N)cc2)cccc1C(=O)[O-]	ZINC000037122583	369064166	/nfs/dbraw/zinc/06/41/66/369064166.db2.gz	QVFWQKBBPYXVOJ-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000041518452	369189788	/nfs/dbraw/zinc/18/97/88/369189788.db2.gz	YILYGNSLGYFSHH-VIFPVBQESA-N	-1	0	290.369	3.206	20	30		CGEDRM
N#CC(=C([O-])c1ccc(F)cc1)c1nc2ccccc2o1	ZINC000041546335	369190568	/nfs/dbraw/zinc/19/05/68/369190568.db2.gz	RYLAUIQNGCLQLA-GFCCVEGCSA-N	-1	0	280.258	3.457	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)o2)n1	ZINC000073975016	369868239	/nfs/dbraw/zinc/86/82/39/369868239.db2.gz	AHWCIIAECZINBJ-SSDOTTSWSA-N	-1	0	266.709	3.188	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000425143645	372113117	/nfs/dbraw/zinc/11/31/17/372113117.db2.gz	LJTNIPVVQNGMAQ-UHFFFAOYSA-N	-1	0	287.388	3.168	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000429582318	372375462	/nfs/dbraw/zinc/37/54/62/372375462.db2.gz	AXQDWVWQCOHTNH-LLVKDONJSA-N	-1	0	285.372	3.460	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cncs2)n1	ZINC000429666315	372375697	/nfs/dbraw/zinc/37/56/97/372375697.db2.gz	FASCJOHUUAMZDE-QMMMGPOBSA-N	-1	0	277.374	3.213	20	30		CGEDRM
C=CCC[C@H](N=c1[n-]nc(COC)s1)c1ccccc1	ZINC000434942486	372717669	/nfs/dbraw/zinc/71/76/69/372717669.db2.gz	JNXUTVPOICFARM-ZDUSSCGKSA-N	-1	0	289.404	3.226	20	30		CGEDRM
Cc1cscc1C(=O)[C@H](C#N)c1nc2ccccc2n1C	ZINC000175083352	373405515	/nfs/dbraw/zinc/40/55/15/373405515.db2.gz	LKUBEEUYUZKUDL-NSHDSACASA-N	-1	0	295.367	3.433	20	30		CGEDRM
C=CCC(CC=C)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000447798918	373491576	/nfs/dbraw/zinc/49/15/76/373491576.db2.gz	CIWDFLUQLFHLMO-UHFFFAOYSA-N	-1	0	285.347	3.107	20	30		CGEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000329395936	374408779	/nfs/dbraw/zinc/40/87/79/374408779.db2.gz	VVGXHVKPSMNYJO-ZQARSLAVSA-N	-1	0	280.374	3.371	20	30		CGEDRM
Cc1c(C#N)cccc1NC(=O)c1cc(O)ccc1Cl	ZINC000334423616	374739075	/nfs/dbraw/zinc/73/90/75/374739075.db2.gz	VPYNLPJHOFZOQY-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000188645727	375246812	/nfs/dbraw/zinc/24/68/12/375246812.db2.gz	BNYRRXGYLBQSPD-AWEZNQCLSA-N	-1	0	283.755	3.213	20	30		CGEDRM
N#CC(=C([O-])c1cc2cccc(F)c2o1)c1ccccn1	ZINC000122754621	542025317	/nfs/dbraw/zinc/02/53/17/542025317.db2.gz	JAEVZRQHVUWWRZ-LLVKDONJSA-N	-1	0	280.258	3.457	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc3c(n2)CCCC3)n1	ZINC000532757735	375953921	/nfs/dbraw/zinc/95/39/21/375953921.db2.gz	QOQPGXVSDWNZTJ-LBPRGKRZSA-N	-1	0	297.383	3.215	20	30		CGEDRM
CO[C@H](C)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188422861	249057846	/nfs/dbraw/zinc/05/78/46/249057846.db2.gz	PPBBAIICRUOURF-LLVKDONJSA-N	-1	0	296.326	3.224	20	30		CGEDRM
N#Cc1sccc1-c1nc(C(=O)[O-])c(C2CC2)s1	ZINC000514873628	249192415	/nfs/dbraw/zinc/19/24/15/249192415.db2.gz	PZCKSJZBTOXDFI-UHFFFAOYSA-N	-1	0	276.342	3.319	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1CN(CCC#N)CC(C)(C)C	ZINC000738957132	572397828	/nfs/dbraw/zinc/39/78/28/572397828.db2.gz	HPNDJUXUMHREER-UHFFFAOYSA-N	-1	0	278.352	3.048	20	30		CGEDRM
C[C@@H](C#N)CN(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000271148406	378463583	/nfs/dbraw/zinc/46/35/83/378463583.db2.gz	ZUJDGRIDFOWCJV-QMMMGPOBSA-N	-1	0	273.163	3.290	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1	ZINC000345975062	378426873	/nfs/dbraw/zinc/42/68/73/378426873.db2.gz	IJMMGTDFCHNFKP-HNNXBMFYSA-N	-1	0	293.407	3.295	20	30		CGEDRM
CCn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1	ZINC000358672395	381322362	/nfs/dbraw/zinc/32/23/62/381322362.db2.gz	YXROWDPGFJLASO-NSHDSACASA-N	-1	0	296.355	3.003	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)co1	ZINC000362116770	381883988	/nfs/dbraw/zinc/88/39/88/381883988.db2.gz	ICCPMXZOIWYQPA-LLVKDONJSA-N	-1	0	294.232	3.492	20	30		CGEDRM
CN(C(=O)c1ccc(Cl)cc1[O-])c1cccc(C#N)c1	ZINC000059095671	392118634	/nfs/dbraw/zinc/11/86/34/392118634.db2.gz	PSRANYZLJTUDRA-UHFFFAOYSA-N	-1	0	286.718	3.194	20	30		CGEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286605589	392384238	/nfs/dbraw/zinc/38/42/38/392384238.db2.gz	BNCKCJOMBZKCRR-AMIZOPFISA-N	-1	0	299.729	3.104	20	30		CGEDRM
C=CCC1(C(=O)Nc2cccc(C(=O)[O-])c2)CCC1	ZINC000263200409	131286133	/nfs/dbraw/zinc/28/61/33/131286133.db2.gz	UZCCWHRAYHVULD-UHFFFAOYSA-N	-1	0	259.305	3.070	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000263236003	131287358	/nfs/dbraw/zinc/28/73/58/131287358.db2.gz	CVXYLTANZNLPEW-BFHYXJOUSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000338583295	392921110	/nfs/dbraw/zinc/92/11/10/392921110.db2.gz	UZSUWOHLDNCOIT-JTQLQIEISA-N	-1	0	295.298	3.258	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1nc2ccccc2s1	ZINC000683688627	543931606	/nfs/dbraw/zinc/93/16/06/543931606.db2.gz	DBQVAVJCVDGVID-MRVPVSSYSA-N	-1	0	285.353	3.243	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)sc1C	ZINC000683688967	543931613	/nfs/dbraw/zinc/93/16/13/543931613.db2.gz	JKYMXWUGWYMZHL-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
Cc1ccc([C@@H]2CCCN2C(=O)N=c2cn[n-]s2)cc1	ZINC000330262225	228084616	/nfs/dbraw/zinc/08/46/16/228084616.db2.gz	PSTLUEGSPOIYON-LBPRGKRZSA-N	-1	0	288.376	3.229	20	30		CGEDRM
C=CCC1(NC(=O)c2ccc(C(=O)[O-])cc2)CCCC1	ZINC000663136703	419517129	/nfs/dbraw/zinc/51/71/29/419517129.db2.gz	ZXPWZOWGOWEDIO-UHFFFAOYSA-N	-1	0	273.332	3.004	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058078417	262350594	/nfs/dbraw/zinc/35/05/94/262350594.db2.gz	UQZREYWGCRMIPP-UHFFFAOYSA-N	-1	0	261.387	3.042	20	30		CGEDRM
Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000330682093	264002487	/nfs/dbraw/zinc/00/24/87/264002487.db2.gz	PRNKTQRHBGCBOU-LLVKDONJSA-N	-1	0	298.408	3.064	20	30		CGEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1C	ZINC000526942826	267048632	/nfs/dbraw/zinc/04/86/32/267048632.db2.gz	LYAKXQBWYFFCGF-UHFFFAOYSA-N	-1	0	280.327	3.239	20	30		CGEDRM
C=CCC1(CNC(=O)NCCCCCC(=O)[O-])CCCC1	ZINC000414612313	328201247	/nfs/dbraw/zinc/20/12/47/328201247.db2.gz	QBAYUGLHKKQBQD-UHFFFAOYSA-N	-1	0	296.411	3.067	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CC/C=C\c1ccccc1)C(=O)[O-]	ZINC000562517081	327487918	/nfs/dbraw/zinc/48/79/18/327487918.db2.gz	UNDVYAHXRDDEKT-OCOPJHETSA-N	-1	0	287.359	3.016	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000263346584	330052618	/nfs/dbraw/zinc/05/26/18/330052618.db2.gz	ZETARHWWQOYETL-UHFFFAOYSA-N	-1	0	289.331	3.100	20	30		CGEDRM
Cc1ccncc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000492256316	332389431	/nfs/dbraw/zinc/38/94/31/332389431.db2.gz	GNKOQUSMFJPGNX-LLVKDONJSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCCCCCNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000577229294	335326919	/nfs/dbraw/zinc/32/69/19/335326919.db2.gz	GFHLSUSOVZCGAO-UHFFFAOYSA-N	-1	0	287.281	3.286	20	30		CGEDRM
C=CCCc1ccc(-c2c(C(=O)[O-])c(C)nn2C)cc1	ZINC000581677985	336127575	/nfs/dbraw/zinc/12/75/75/336127575.db2.gz	WMHFOIIJOJNJSO-UHFFFAOYSA-N	-1	0	270.332	3.212	20	30		CGEDRM
Cc1c2ccccc2oc1C([O-])=C(C#N)c1ccncn1	ZINC000354473842	533973269	/nfs/dbraw/zinc/97/32/69/533973269.db2.gz	QJBZMTNHLLDBBP-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
Cc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(C)c1O	ZINC000436628451	534014104	/nfs/dbraw/zinc/01/41/04/534014104.db2.gz	QYFLGHVSKBZJHI-HYXAFXHYSA-N	-1	0	294.310	3.144	20	30		CGEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000330000453	534328856	/nfs/dbraw/zinc/32/88/56/534328856.db2.gz	WKXYSOCLFXOLID-KOLSJAJHSA-N	-1	0	285.702	3.198	20	30		CGEDRM
C=CCOc1ccccc1CN=c1[n-]nc(CCC)s1	ZINC000347802563	526935887	/nfs/dbraw/zinc/93/58/87/526935887.db2.gz	VXBISCSXWCWOLH-UHFFFAOYSA-N	-1	0	289.404	3.089	20	30		CGEDRM
CC(C)(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCCCC1	ZINC000359217281	526971444	/nfs/dbraw/zinc/97/14/44/526971444.db2.gz	KDJGGKZJZWCMOZ-UHFFFAOYSA-N	-1	0	299.378	3.088	20	30		CGEDRM
CCCc1cc(C([O-])=C(C#N)c2ccncn2)sc1C	ZINC000354464692	528598059	/nfs/dbraw/zinc/59/80/59/528598059.db2.gz	JCSZUFBAVOIRSD-LBPRGKRZSA-N	-1	0	285.372	3.289	20	30		CGEDRM
C=CCCC(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC000737527988	572348171	/nfs/dbraw/zinc/34/81/71/572348171.db2.gz	XPOHYIMNYQZYDZ-UHFFFAOYSA-N	-1	0	265.334	3.228	20	30		CGEDRM
COc1cccc(O)c1C=Nc1ccc(CCC(=O)[O-])cc1	ZINC000738107099	572364357	/nfs/dbraw/zinc/36/43/57/572364357.db2.gz	ULYRTIHONPPIRG-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
O=[N+]([O-])c1cc(C=NNc2cccc(F)c2F)ccc1[O-]	ZINC000743443022	572398173	/nfs/dbraw/zinc/39/81/73/572398173.db2.gz	NQVZNAKPTFJDDE-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC000739093230	572401844	/nfs/dbraw/zinc/40/18/44/572401844.db2.gz	MROJVBSXJXTDPN-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
N#Cc1ccccc1SCCOc1cccc(C(=O)[O-])c1	ZINC000739142784	572402680	/nfs/dbraw/zinc/40/26/80/572402680.db2.gz	QQSZGFWQNIOUCX-UHFFFAOYSA-N	-1	0	299.351	3.428	20	30		CGEDRM
N#Cc1ccc([C@H](Sc2ccc(O)cc2)C(=O)[O-])cc1	ZINC000739118453	572402818	/nfs/dbraw/zinc/40/28/18/572402818.db2.gz	RSTHYSLSYSCGBE-AWEZNQCLSA-N	-1	0	285.324	3.182	20	30		CGEDRM
O=C([O-])C1CCC(/N=C\c2cc(Cl)ccc2O)CC1	ZINC000739560533	572420112	/nfs/dbraw/zinc/42/01/12/572420112.db2.gz	OXTXHGNTXUWMBZ-PXNMLYILSA-N	-1	0	281.739	3.108	20	30		CGEDRM
O=C([O-])c1ccc2[nH]cc(C=NOCc3ccccc3)c2c1	ZINC000740190195	572435660	/nfs/dbraw/zinc/43/56/60/572435660.db2.gz	LZEGJXIXQIPVTG-UHFFFAOYSA-N	-1	0	294.310	3.417	20	30		CGEDRM
C#CCN(Cc1cc(C(=O)[O-])co1)[C@H]1CCc2ccccc21	ZINC000736080843	572766097	/nfs/dbraw/zinc/76/60/97/572766097.db2.gz	YUDFZAPEZFZTNE-KRWDZBQOSA-N	-1	0	295.338	3.101	20	30		CGEDRM
C#CCOc1cccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)c1	ZINC000736090255	572767919	/nfs/dbraw/zinc/76/79/19/572767919.db2.gz	XTUWUVPVYMQLOO-INIZCTEOSA-N	-1	0	299.301	3.076	20	30		CGEDRM
C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC000736695712	572805392	/nfs/dbraw/zinc/80/53/92/572805392.db2.gz	DOAIRSDNSFIHGU-LLVKDONJSA-N	-1	0	295.294	3.174	20	30		CGEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000736687830	572805458	/nfs/dbraw/zinc/80/54/58/572805458.db2.gz	FAPBVPFFEGNJDP-NSHDSACASA-N	-1	0	295.294	3.174	20	30		CGEDRM
Cc1cccc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c1	ZINC000746676939	572891334	/nfs/dbraw/zinc/89/13/34/572891334.db2.gz	MYEYHGYNFVAZGM-ZDUSSCGKSA-N	-1	0	298.342	3.293	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3cccc(F)c3o2)c1	ZINC000748410311	572975861	/nfs/dbraw/zinc/97/58/61/572975861.db2.gz	HXIDWQPMGNFSRN-UHFFFAOYSA-N	-1	0	296.257	3.401	20	30		CGEDRM
Cc1ccc2[nH]c(C(=O)Nc3cc(C#N)ccc3[O-])cc2c1	ZINC000748412208	572976349	/nfs/dbraw/zinc/97/63/49/572976349.db2.gz	MKJWGPXZXAFHBW-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
CC(C)[C@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000062723800	597015467	/nfs/dbraw/zinc/01/54/67/597015467.db2.gz	IYOROVUUBDRIMS-ZUZCKIMGSA-N	-1	0	271.316	3.074	20	30		CGEDRM
C=CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1	ZINC000237283982	599843906	/nfs/dbraw/zinc/84/39/06/599843906.db2.gz	VFKSKNGKRJKMPN-ZDUSSCGKSA-N	-1	0	293.388	3.007	20	30		CGEDRM
Cc1cc(F)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000738397567	599969125	/nfs/dbraw/zinc/96/91/25/599969125.db2.gz	SOQPTZRQEOKJDU-UTCJRWHESA-N	-1	0	274.247	3.321	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(COC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000825642166	601194391	/nfs/dbraw/zinc/19/43/91/601194391.db2.gz	IXSNSLBDFBXJGJ-KGLIPLIRSA-N	-1	0	295.379	3.124	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCc3cc(F)ccc3C2=O)o1	ZINC000833312206	601294451	/nfs/dbraw/zinc/29/44/51/601294451.db2.gz	MCWNYBMNEARKTE-NTMALXAHSA-N	-1	0	286.258	3.329	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Cc3c(cccc3Cl)C2=O)[nH]1	ZINC000833312384	601332344	/nfs/dbraw/zinc/33/23/44/601332344.db2.gz	OSCHZYZZERPVNM-SOFGYWHQSA-N	-1	0	287.702	3.189	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc(C)c1F	ZINC000832858270	601332455	/nfs/dbraw/zinc/33/24/55/601332455.db2.gz	ADLGSDZMSBVOGA-XQRVVYSFSA-N	-1	0	287.290	3.365	20	30		CGEDRM
CCCCCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000111252385	601710604	/nfs/dbraw/zinc/71/06/04/601710604.db2.gz	LBKGVYFDMXWBHH-KGLIPLIRSA-N	-1	0	283.412	3.306	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc(C)c1F	ZINC000832859864	601794053	/nfs/dbraw/zinc/79/40/53/601794053.db2.gz	ZUVZKIOKUVKGHP-ONEGZZNKSA-N	-1	0	287.290	3.365	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cc(F)ccc2F)o1	ZINC000833312363	601826769	/nfs/dbraw/zinc/82/67/69/601826769.db2.gz	OHVMRXRIAGUWED-DJWKRKHSSA-N	-1	0	278.210	3.152	20	30		CGEDRM
Cc1oc(C=NNc2cc(C)ccc2F)cc1C(=O)[O-]	ZINC000832935176	601851859	/nfs/dbraw/zinc/85/18/59/601851859.db2.gz	AVSRSZATUOMDEA-UHFFFAOYSA-N	-1	0	276.267	3.180	20	30		CGEDRM
N#Cc1cc(CNc2ccc(CNC(=O)[O-])cc2)ccc1F	ZINC000833069275	602103345	/nfs/dbraw/zinc/10/33/45/602103345.db2.gz	ZLFRFSMCXSEXOM-UHFFFAOYSA-N	-1	0	299.305	3.077	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O	ZINC000899349008	620653556	/nfs/dbraw/zinc/65/35/56/620653556.db2.gz	RZJBUJAYDFETEM-LBPRGKRZSA-N	-1	0	280.249	3.067	20	30		CGEDRM
Cc1ccc(C#N)cc1OCc1ccc(F)cc1C(=O)[O-]	ZINC000832910450	602307745	/nfs/dbraw/zinc/30/77/45/602307745.db2.gz	KPYKOIQRKBFLNG-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(Nc2ccc(C#N)cn2)cc1	ZINC000825454850	603206768	/nfs/dbraw/zinc/20/67/68/603206768.db2.gz	WWMHCSKVWJKAIO-JTQLQIEISA-N	-1	0	282.303	3.025	20	30		CGEDRM
N#Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000831118005	603522425	/nfs/dbraw/zinc/52/24/25/603522425.db2.gz	JSLHXZOVCDDSRM-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825671331	604284155	/nfs/dbraw/zinc/28/41/55/604284155.db2.gz	MLYIMDSKNLAJOG-UHFFFAOYSA-N	-1	0	293.338	3.342	20	30		CGEDRM
Cc1ccc(C#N)cc1OCc1cccc(C(=O)[O-])c1C#N	ZINC000833747407	604549385	/nfs/dbraw/zinc/54/93/85/604549385.db2.gz	NUALOFUKWREZGO-UHFFFAOYSA-N	-1	0	292.294	3.016	20	30		CGEDRM
CC(C)(C)CCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833429633	604582361	/nfs/dbraw/zinc/58/23/61/604582361.db2.gz	RQFATCZOTJKVGD-UHFFFAOYSA-N	-1	0	289.331	3.126	20	30		CGEDRM
Cc1cc(C)nc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])n1	ZINC000814681729	604631965	/nfs/dbraw/zinc/63/19/65/604631965.db2.gz	ZVLOMRHMMQDNJE-JTQLQIEISA-N	-1	0	292.383	3.162	20	30		CGEDRM
CC(N=Nc1ccncc1Cl)[C@H](C)CCCCC(=O)[O-]	ZINC000814868954	604640741	/nfs/dbraw/zinc/64/07/41/604640741.db2.gz	OGHUYKGGDLXZLS-SNVBAGLBSA-N	-1	0	297.786	3.226	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)c2ccccc21	ZINC000763369693	604668498	/nfs/dbraw/zinc/66/84/98/604668498.db2.gz	WECPDLAIXASWOE-LLVKDONJSA-N	-1	0	295.342	3.493	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H](C)C1	ZINC000763370540	604668519	/nfs/dbraw/zinc/66/85/19/604668519.db2.gz	QXSMCHQILLCURT-AOOOYVTPSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=C[C@H](CC(=O)O[C@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000833370344	604781788	/nfs/dbraw/zinc/78/17/88/604781788.db2.gz	BZRDFEHJLKHDKZ-UKRRQHHQSA-N	-1	0	290.359	3.389	20	30		CGEDRM
C=CCN(C(=O)Nc1cc(Cl)ccc1C(=O)[O-])C1CC1	ZINC000162389273	604973597	/nfs/dbraw/zinc/97/35/97/604973597.db2.gz	ZBZQEQNNRRLJLO-UHFFFAOYSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833373945	605119009	/nfs/dbraw/zinc/11/90/09/605119009.db2.gz	KKEANBHAMRPXNH-HIFPTAJRSA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000040521634	605127548	/nfs/dbraw/zinc/12/75/48/605127548.db2.gz	ATMTVIQIQDQUGI-UHFFFAOYSA-N	-1	0	294.738	3.244	20	30		CGEDRM
CC(=NOCc1ccccc1)c1ccccc1OCC(=O)[O-]	ZINC000833387177	605326755	/nfs/dbraw/zinc/32/67/55/605326755.db2.gz	SJZJHHXJPOYRSH-UHFFFAOYSA-N	-1	0	299.326	3.091	20	30		CGEDRM
N#Cc1cccc(OCc2cccc(NC(=O)[O-])c2)c1	ZINC000833975762	605637404	/nfs/dbraw/zinc/63/74/04/605637404.db2.gz	FTZYDDWCUHILLO-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
N#CC1(COC(=O)c2ccc(NC(=O)[O-])cc2)CCCC1	ZINC000833964418	605781197	/nfs/dbraw/zinc/78/11/97/605781197.db2.gz	GOUVYOIFAJCMFA-UHFFFAOYSA-N	-1	0	288.303	3.017	20	30		CGEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cncc(F)c1	ZINC000254991504	617718894	/nfs/dbraw/zinc/71/88/94/617718894.db2.gz	JYGQTSSADMMQQY-UPHRSURJSA-N	-1	0	279.217	3.101	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1	ZINC000048518499	617953674	/nfs/dbraw/zinc/95/36/74/617953674.db2.gz	SYACJFOZTFYSJT-UHFFFAOYSA-N	-1	0	291.372	3.274	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1cccc(F)c1C)C(=O)[O-]	ZINC000900328988	620781028	/nfs/dbraw/zinc/78/10/28/620781028.db2.gz	ZPCZISWWOOQEGQ-CYBMUJFWSA-N	-1	0	294.326	3.065	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](CC2CC2)C(=O)[O-])c1	ZINC000900355590	620782656	/nfs/dbraw/zinc/78/26/56/620782656.db2.gz	QCXQRPZUIZUDHY-AWEZNQCLSA-N	-1	0	288.347	3.095	20	30		CGEDRM
Cc1cccn2c(/C=C\C(=O)c3ccc(F)cc3[O-])cnc12	ZINC000255318378	618197119	/nfs/dbraw/zinc/19/71/19/618197119.db2.gz	DITWWWPSJFVREQ-ALCCZGGFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
Cc1ncsc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000255346552	618211843	/nfs/dbraw/zinc/21/18/43/618211843.db2.gz	XBGRHIJUXWCUBV-PLNGDYQASA-N	-1	0	263.293	3.192	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2CCCCCC2)c1	ZINC000176833826	618744420	/nfs/dbraw/zinc/74/44/20/618744420.db2.gz	YRMCYEPRWVTYHC-UHFFFAOYSA-N	-1	0	258.321	3.173	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc(F)cc2[O-])cn1	ZINC000176956629	618769750	/nfs/dbraw/zinc/76/97/50/618769750.db2.gz	VGEWBXXXDOPRQZ-ZZXKWVIFSA-N	-1	0	274.295	3.205	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2(Cc3ccccc3)CC2)c1	ZINC000179741114	618799983	/nfs/dbraw/zinc/79/99/83/618799983.db2.gz	MYFMFWRROMYFAO-UHFFFAOYSA-N	-1	0	292.338	3.225	20	30		CGEDRM
COc1cccc(C=CC(=O)c2sccc2[O-])c1F	ZINC000195503137	619149890	/nfs/dbraw/zinc/14/98/90/619149890.db2.gz	OXGPYOFELPPMQF-AATRIKPKSA-N	-1	0	278.304	3.498	20	30		CGEDRM
O=C(CCCc1ccccc1)[N-]S(=O)(=O)C1CCCC1	ZINC000086054339	619393264	/nfs/dbraw/zinc/39/32/64/619393264.db2.gz	HDOGROXIZGIMFC-UHFFFAOYSA-N	-1	0	295.404	3.238	20	30		CGEDRM
Cc1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000254660110	619396999	/nfs/dbraw/zinc/39/69/99/619396999.db2.gz	YEPUBBOSLRQFAG-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NOCc1ccccc1	ZINC000814791421	619424164	/nfs/dbraw/zinc/42/41/64/619424164.db2.gz	GVPNVRWTIXARJJ-YPMHNXCESA-N	-1	0	261.321	3.080	20	30		CGEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000048519076	619503221	/nfs/dbraw/zinc/50/32/21/619503221.db2.gz	HMJWQQPGCWSLEJ-UHFFFAOYSA-N	-1	0	295.282	3.007	20	30		CGEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000048519253	619503880	/nfs/dbraw/zinc/50/38/80/619503880.db2.gz	DQOWQKMEOYQBMB-UHFFFAOYSA-N	-1	0	296.175	3.295	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909512092	619793830	/nfs/dbraw/zinc/79/38/30/619793830.db2.gz	AQZRMEGOTCCTDU-UHFFFAOYSA-N	-1	0	261.321	3.152	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)C1	ZINC000909513706	619801669	/nfs/dbraw/zinc/80/16/69/619801669.db2.gz	SXFJBLNLZLDTGL-UHFFFAOYSA-N	-1	0	273.332	3.296	20	30		CGEDRM
C[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCS1	ZINC000899227478	620626780	/nfs/dbraw/zinc/62/67/80/620626780.db2.gz	MDZIQGCVDVWRCV-FSJDBVLPSA-N	-1	0	280.349	3.003	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901261977	620849566	/nfs/dbraw/zinc/84/95/66/620849566.db2.gz	SOOLPNJQRLDBFB-MRVPVSSYSA-N	-1	0	286.784	3.308	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cncn2C(C)C)c([O-])c1	ZINC000901482787	620892667	/nfs/dbraw/zinc/89/26/67/620892667.db2.gz	WNWHHLZUKPKDRZ-DAXSKMNVSA-N	-1	0	286.331	3.074	20	30		CGEDRM
N#C[C@@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CC2CCC1CC2	ZINC000901707233	621003712	/nfs/dbraw/zinc/00/37/12/621003712.db2.gz	ALQBKVGDQASVHV-YUNLISADSA-N	-1	0	298.342	3.043	20	30		CGEDRM
C[C@H](NCc1nc(C(C)(C)C)co1)c1cccc(C#N)c1[O-]	ZINC000903313012	621684927	/nfs/dbraw/zinc/68/49/27/621684927.db2.gz	FQWQOLGXFOPHHK-NSHDSACASA-N	-1	0	299.374	3.400	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000907582081	622302361	/nfs/dbraw/zinc/30/23/61/622302361.db2.gz	OUFQRAMTTCTKCN-PMDBQALLSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1	ZINC000907750994	622310554	/nfs/dbraw/zinc/31/05/54/622310554.db2.gz	VMOJMCATQFSGTP-ZFWWWQNUSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=CCC1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCC1	ZINC000908294447	622341688	/nfs/dbraw/zinc/34/16/88/622341688.db2.gz	XGFXPXYIQZYFFH-AWEZNQCLSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000909067385	622388901	/nfs/dbraw/zinc/38/89/01/622388901.db2.gz	RMGIZVDIMVZMQH-SWLSCSKDSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000909108986	622396295	/nfs/dbraw/zinc/39/62/95/622396295.db2.gz	MSFMNSMVDPCSGY-CQSZACIVSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000909294217	622413414	/nfs/dbraw/zinc/41/34/14/622413414.db2.gz	HIQDWCMOFQIRBG-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C1CCC(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC1	ZINC000909865031	622431655	/nfs/dbraw/zinc/43/16/55/622431655.db2.gz	JSFQJDPCSHXYIX-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21	ZINC000909955546	622441193	/nfs/dbraw/zinc/44/11/93/622441193.db2.gz	ABLRZXCDFWEGCU-RDBSUJKOSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21	ZINC000909955540	622441994	/nfs/dbraw/zinc/44/19/94/622441994.db2.gz	ABLRZXCDFWEGCU-HZSPNIEDSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000910197716	622465383	/nfs/dbraw/zinc/46/53/83/622465383.db2.gz	NNWVXEXRORNZSB-MRXNPFEDSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])ccc1NCC	ZINC000911084753	622517892	/nfs/dbraw/zinc/51/78/92/622517892.db2.gz	TYMJANIXFLDXIX-UHFFFAOYSA-N	-1	0	290.363	3.357	20	30		CGEDRM
CC(=NOCCC1CC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814941505	625574961	/nfs/dbraw/zinc/57/49/61/625574961.db2.gz	JZAUORUBYIQJKH-NSHDSACASA-N	-1	0	255.358	3.460	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911682768	622543370	/nfs/dbraw/zinc/54/33/70/622543370.db2.gz	CXGPBJUYKJTHML-UHFFFAOYSA-N	-1	0	279.311	3.373	20	30		CGEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000151224446	622752576	/nfs/dbraw/zinc/75/25/76/622752576.db2.gz	GZGSWVCLWSSGMN-UHFFFAOYSA-N	-1	0	289.441	3.126	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1F	ZINC000156585332	622825956	/nfs/dbraw/zinc/82/59/56/622825956.db2.gz	KSRYDNXBFOSCAV-SOFGYWHQSA-N	-1	0	287.246	3.336	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([O-])c1	ZINC000156619897	622830654	/nfs/dbraw/zinc/83/06/54/622830654.db2.gz	RBFWZVXFVXXNJX-VMPITWQZSA-N	-1	0	299.282	3.205	20	30		CGEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000156707467	622835488	/nfs/dbraw/zinc/83/54/88/622835488.db2.gz	DNDIOYOPGROZSW-VOTSOKGWSA-N	-1	0	257.289	3.202	20	30		CGEDRM
CC(C)CNN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000771568324	625664980	/nfs/dbraw/zinc/66/49/80/625664980.db2.gz	YGRMIBHSGMBRRO-UHFFFAOYSA-N	-1	0	261.152	3.279	20	30		CGEDRM
CC[C@@H](C)CCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009664	623854822	/nfs/dbraw/zinc/85/48/22/623854822.db2.gz	XYRICZUVSSSXEB-SECBINFHSA-N	-1	0	252.289	3.358	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCCc2ccccc2)cc1	ZINC000916240585	624124186	/nfs/dbraw/zinc/12/41/86/624124186.db2.gz	HVHHNTSIUUHRPG-UHFFFAOYSA-N	-1	0	268.316	3.415	20	30		CGEDRM
Cc1ccccc1CC/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920945242	624555589	/nfs/dbraw/zinc/55/55/89/624555589.db2.gz	TVJPCAUTNATNNK-BOPFTXTBSA-N	-1	0	284.315	3.270	20	30		CGEDRM
CCCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179738335	624681280	/nfs/dbraw/zinc/68/12/80/624681280.db2.gz	CJDSJNVHPHKFNS-LBPRGKRZSA-N	-1	0	260.337	3.419	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000238219255	624754368	/nfs/dbraw/zinc/75/43/68/624754368.db2.gz	HOKPLMRKWIEOFS-AWEZNQCLSA-N	-1	0	279.380	3.001	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccccc2[O-])c(F)c1	ZINC000772804655	625843255	/nfs/dbraw/zinc/84/32/55/625843255.db2.gz	ZASADVYUAIIHBS-BQYQJAHWSA-N	-1	0	267.259	3.299	20	30		CGEDRM
CCC[C@H](C)CC(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000073837543	626069633	/nfs/dbraw/zinc/06/96/33/626069633.db2.gz	DGGPUYAIWANHEF-JTQLQIEISA-N	-1	0	263.403	3.288	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1NC(=O)C1(C#N)CCCCC1	ZINC000923098807	626131012	/nfs/dbraw/zinc/13/10/12/626131012.db2.gz	ZWDHRHMIBQGNRK-UHFFFAOYSA-N	-1	0	292.360	3.167	20	30		CGEDRM
O=C(/C=C/c1ccc(O)c(F)c1)c1cc(F)ccc1[O-]	ZINC000121329038	626196010	/nfs/dbraw/zinc/19/60/10/626196010.db2.gz	UQLKSCBXJIVUBO-DAFODLJHSA-N	-1	0	276.238	3.272	20	30		CGEDRM
C[C@H]1Cc2ccccc2C1=NNc1cccc(C(=O)[O-])c1	ZINC000751130572	626376751	/nfs/dbraw/zinc/37/67/51/626376751.db2.gz	DGNCRVKLSAZKMU-NSHDSACASA-N	-1	0	280.327	3.393	20	30		CGEDRM
Cc1cccc2c1O/C(=C\c1ccc(O)c(F)c1)C2=O	ZINC000755594418	626630432	/nfs/dbraw/zinc/63/04/32/626630432.db2.gz	SORRHHVBSHKUJP-ZSOIEALJSA-N	-1	0	270.259	3.456	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C)c(C)c1	ZINC000756899046	626739928	/nfs/dbraw/zinc/73/99/28/626739928.db2.gz	NEHPTOHQXACTBC-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
O=C(/C=C\c1ccc2c(c1)CCO2)c1cc(F)ccc1[O-]	ZINC000757467324	626780774	/nfs/dbraw/zinc/78/07/74/626780774.db2.gz	DHKXMJOOOPCFOV-RJRFIUFISA-N	-1	0	284.286	3.362	20	30		CGEDRM
O=C(/C=C\c1nccs1)c1cc(Cl)ccc1[O-]	ZINC000757467171	626780815	/nfs/dbraw/zinc/78/08/15/626780815.db2.gz	CKEUUJOXYZYGLD-ARJAWSKDSA-N	-1	0	265.721	3.398	20	30		CGEDRM
O=C(/C=C/c1cccc(O)c1)c1cc(F)cc(F)c1[O-]	ZINC000757476815	626782416	/nfs/dbraw/zinc/78/24/16/626782416.db2.gz	SSODAIWCHLHJMC-SNAWJCMRSA-N	-1	0	276.238	3.272	20	30		CGEDRM
O=c1[n-]c(N=NCC2CCCCC2)nc2ccccc21	ZINC000757582988	626790767	/nfs/dbraw/zinc/79/07/67/626790767.db2.gz	IBQATKJAFWAPMD-UHFFFAOYSA-N	-1	0	270.336	3.313	20	30		CGEDRM
COc1cc(F)cc(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000759213134	626882032	/nfs/dbraw/zinc/88/20/32/626882032.db2.gz	VBJCRKHNZQZAPY-UHFFFAOYSA-N	-1	0	296.248	3.264	20	30		CGEDRM
CCCC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000759644280	626911663	/nfs/dbraw/zinc/91/16/63/626911663.db2.gz	QUOZNHNMMJNCRW-OQLLNIDSSA-N	-1	0	262.309	3.300	20	30		CGEDRM
C/C=C(/C=C\C(=O)Nc1cc(C#N)ccc1[O-])CC	ZINC000759720620	626917507	/nfs/dbraw/zinc/91/75/07/626917507.db2.gz	PBNWTRIQSGKRFN-RMPJALIQSA-N	-1	0	256.305	3.115	20	30		CGEDRM
CCCCCCCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000762227502	627102340	/nfs/dbraw/zinc/10/23/40/627102340.db2.gz	GWGWWSYZSWNYDG-BBRMVZONSA-N	-1	0	283.412	3.497	20	30		CGEDRM
CCC(C[C@H](C)CC)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367714	627153704	/nfs/dbraw/zinc/15/37/04/627153704.db2.gz	GEYJFZZLOUSECV-SNVBAGLBSA-N	-1	0	263.341	3.394	20	30		CGEDRM
CC(C)[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763369295	627154385	/nfs/dbraw/zinc/15/43/85/627154385.db2.gz	DVDIPKZUHDKEIE-GFCCVEGCSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(CCc1ccccc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763370819	627154437	/nfs/dbraw/zinc/15/44/37/627154437.db2.gz	VLIVWDIEJJPJHF-UHFFFAOYSA-N	-1	0	283.331	3.200	20	30		CGEDRM
CC(=NNc1nc2ccccc2[nH]1)c1cccc(C(=O)[O-])c1	ZINC000764660289	627216825	/nfs/dbraw/zinc/21/68/25/627216825.db2.gz	VXDHWMARWFCTST-UHFFFAOYSA-N	-1	0	294.314	3.097	20	30		CGEDRM
[O-]c1c(F)cc(C=NNCc2ccc(Cl)cc2)cc1F	ZINC000764716906	627219910	/nfs/dbraw/zinc/21/99/10/627219910.db2.gz	AUEOBSYLXCMMBH-UHFFFAOYSA-N	-1	0	296.704	3.448	20	30		CGEDRM
CC1(C)CCCN(C(=O)c2cccc(Cl)c2[O-])[C@@H]1C#N	ZINC000765778263	627270463	/nfs/dbraw/zinc/27/04/63/627270463.db2.gz	YHGPFEVSJNQLTL-GFCCVEGCSA-N	-1	0	292.766	3.200	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000765822599	627273616	/nfs/dbraw/zinc/27/36/16/627273616.db2.gz	AVXRARUKQGRCTB-FPLPWBNLSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\COc3ccccc3C2=O)c1	ZINC000765823012	627273746	/nfs/dbraw/zinc/27/37/46/627273746.db2.gz	CSFCJCZSDQEJFZ-UKTHLTGXSA-N	-1	0	280.279	3.044	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\Cc3ccccc3C2=O)c1	ZINC000765827798	627274057	/nfs/dbraw/zinc/27/40/57/627274057.db2.gz	YIPFWDLMCLNCST-UXBLZVDNSA-N	-1	0	270.309	3.269	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@@H](c3ccccc3)[C@@H]2C)n1	ZINC000767745131	627434086	/nfs/dbraw/zinc/43/40/86/627434086.db2.gz	YJKFZYKIHPKQAD-WCQYABFASA-N	-1	0	282.347	3.082	20	30		CGEDRM
C[C@H]1CCC[C@@H](C=Nn2c(=S)[n-]nc2C(F)(F)F)C1	ZINC000768352681	627475131	/nfs/dbraw/zinc/47/51/31/627475131.db2.gz	QIGIQVGLUMSWQE-JGVFFNPUSA-N	-1	0	292.330	3.246	20	30		CGEDRM
N#Cc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1F	ZINC000770572905	627627455	/nfs/dbraw/zinc/62/74/55/627627455.db2.gz	ULQQPGLDNCKUOZ-KXFIGUGUSA-N	-1	0	283.258	3.005	20	30		CGEDRM
N#Cc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])ccc1F	ZINC000770573037	627627586	/nfs/dbraw/zinc/62/75/86/627627586.db2.gz	WRXULRKUCJWQBV-QHHAFSJGSA-N	-1	0	285.249	3.438	20	30		CGEDRM
CC(=NNc1cc(C)ccc1F)c1ccc(C(=O)[O-])o1	ZINC000773069053	627849886	/nfs/dbraw/zinc/84/98/86/627849886.db2.gz	SDOFSDAXVVBMAY-UHFFFAOYSA-N	-1	0	276.267	3.261	20	30		CGEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Cl)c2[O-])C1	ZINC000775747011	628132948	/nfs/dbraw/zinc/13/29/48/628132948.db2.gz	GBLJPOHQJUDMRF-MEBBXXQBSA-N	-1	0	292.766	3.248	20	30		CGEDRM
CC(C)OCCNN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000778554760	628357444	/nfs/dbraw/zinc/35/74/44/628357444.db2.gz	XEVOWZICAICODW-UHFFFAOYSA-N	-1	0	291.178	3.048	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccccc2)c1	ZINC000782199585	628624240	/nfs/dbraw/zinc/62/42/40/628624240.db2.gz	HXDTYIFXPLIFLM-VOTSOKGWSA-N	-1	0	258.298	3.342	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000782346662	628640895	/nfs/dbraw/zinc/64/08/95/628640895.db2.gz	CDPXQHBLPWXIGM-DUXPYHPUSA-N	-1	0	293.244	3.409	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000782349488	628641312	/nfs/dbraw/zinc/64/13/12/628641312.db2.gz	YVZOTBWCKMVRLA-KXFIGUGUSA-N	-1	0	275.254	3.270	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNC1CCCCC1)CCC2	ZINC000786043742	628910797	/nfs/dbraw/zinc/91/07/97/628910797.db2.gz	VRZZVLNBLIXDAX-UHFFFAOYSA-N	-1	0	290.363	3.249	20	30		CGEDRM
Cc1ccnc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)c1	ZINC000789023768	629097714	/nfs/dbraw/zinc/09/77/14/629097714.db2.gz	OPGLJLBGIQYNEU-CQSZACIVSA-N	-1	0	295.342	3.168	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@]1(C)CCCS1	ZINC000793034439	629404190	/nfs/dbraw/zinc/40/41/90/629404190.db2.gz	NQSHUKBLJLHFFD-CQSZACIVSA-N	-1	0	294.376	3.077	20	30		CGEDRM
CC[C@H](NN=C1CCC(C(C)(C)C)CC1)C(=O)[O-]	ZINC000793058468	629406244	/nfs/dbraw/zinc/40/62/44/629406244.db2.gz	ULDYPADCPCKFAE-KFJBMODSSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@H](NN=C1C[C@H](c2ccccc2)C[C@H](C)C1)C(=O)[O-]	ZINC000793056594	629406271	/nfs/dbraw/zinc/40/62/71/629406271.db2.gz	HIITWTDJCHBKFP-BJJXKVORSA-N	-1	0	288.391	3.399	20	30		CGEDRM
CCCCCCCNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000864159798	629788127	/nfs/dbraw/zinc/78/81/27/629788127.db2.gz	ALTODHQAFONKKY-UHFFFAOYSA-N	-1	0	281.327	3.224	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc(C)cc2[O-])ccc1C#N	ZINC000799496988	630191607	/nfs/dbraw/zinc/19/16/07/630191607.db2.gz	CDNXVJKVYPHRKM-VMPITWQZSA-N	-1	0	293.322	3.477	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-][C@@H](CC)C(F)(F)F	ZINC000799643977	630207324	/nfs/dbraw/zinc/20/73/24/630207324.db2.gz	HJAIRSBPKAYVCI-JTQLQIEISA-N	-1	0	289.363	3.217	20	30		CGEDRM
Cc1noc(C)c1/C=C1\C[C@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806560440	630566661	/nfs/dbraw/zinc/56/66/61/630566661.db2.gz	LXVDJEKRMDZZLF-USYSOWRXSA-N	-1	0	297.310	3.130	20	30		CGEDRM
C=CC1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1	ZINC000811822639	631124957	/nfs/dbraw/zinc/12/49/57/631124957.db2.gz	IKQHGEFYMBEURI-UHFFFAOYSA-N	-1	0	293.750	3.076	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2cc(F)ccc2[O-])c(C(F)F)n1	ZINC000812243549	631231348	/nfs/dbraw/zinc/23/13/48/631231348.db2.gz	OHZYKPPQIOQTTM-DUXPYHPUSA-N	-1	0	296.248	3.099	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2ccc(F)cc2[O-])c(C(F)F)n1	ZINC000812243357	631231857	/nfs/dbraw/zinc/23/18/57/631231857.db2.gz	KBCUMTKZAHGVFA-GORDUTHDSA-N	-1	0	296.248	3.099	20	30		CGEDRM
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1C	ZINC000812374708	631242498	/nfs/dbraw/zinc/24/24/98/631242498.db2.gz	JWNOHKHIBQCJNQ-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
COc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1	ZINC000812442331	631261179	/nfs/dbraw/zinc/26/11/79/631261179.db2.gz	YPXVCAZLDBUFCS-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1C#N	ZINC000814680994	631621000	/nfs/dbraw/zinc/62/10/00/631621000.db2.gz	RONIPSJOFCZPSY-UHFFFAOYSA-N	-1	0	279.299	3.093	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccccc1[N+](=O)[O-]	ZINC000814686206	631622636	/nfs/dbraw/zinc/62/26/36/631622636.db2.gz	XVNCXSDBUMDOBO-UHFFFAOYSA-N	-1	0	291.307	3.028	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814686244	631622670	/nfs/dbraw/zinc/62/26/70/631622670.db2.gz	ZAIGLGKAIRFSFX-VXGBXAGGSA-N	-1	0	260.337	3.284	20	30		CGEDRM
O=C([O-])C1CC(=NN=C(c2ccccc2)c2ccccc2)C1	ZINC000814691623	631624041	/nfs/dbraw/zinc/62/40/41/631624041.db2.gz	KDAYFICMUCKGOI-UHFFFAOYSA-N	-1	0	292.338	3.375	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncccc1Cl	ZINC000814810866	631646456	/nfs/dbraw/zinc/64/64/56/631646456.db2.gz	XHABHKRYQUCICV-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncccc1Cl	ZINC000814810865	631646653	/nfs/dbraw/zinc/64/66/53/631646653.db2.gz	XHABHKRYQUCICV-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1C(=NNCc2cccc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814867809	631659560	/nfs/dbraw/zinc/65/95/60/631659560.db2.gz	OTOTXQOMHHSJHZ-CMPLNLGQSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@@H]1C(=NOCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814880259	631661898	/nfs/dbraw/zinc/66/18/98/631661898.db2.gz	YCWSMBWIOOXSQZ-SFYZADRCSA-N	-1	0	281.274	3.078	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@H]1C1CCC1	ZINC000814886563	631666078	/nfs/dbraw/zinc/66/60/78/631666078.db2.gz	FMEJHDLSDBWKHE-LBPRGKRZSA-N	-1	0	288.347	3.371	20	30		CGEDRM
C[C@@H]1CC(N=Nc2cc(Cl)ccn2)CC[C@H]1C(=O)[O-]	ZINC000814897722	631669458	/nfs/dbraw/zinc/66/94/58/631669458.db2.gz	CLHQUGAVQCVRLY-LDYMZIIASA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCC1(C)CCCC1	ZINC000814937379	631691473	/nfs/dbraw/zinc/69/14/73/631691473.db2.gz	DSYLTOJEXMWREB-NWDGAFQWSA-N	-1	0	266.385	3.033	20	30		CGEDRM
CC(=NNCC(=O)[O-])c1ccc(Cl)c(Cl)c1Cl	ZINC000814958877	631698172	/nfs/dbraw/zinc/69/81/72/631698172.db2.gz	YLXOMRUGVXOQKP-UHFFFAOYSA-N	-1	0	295.553	3.045	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000820495478	632638385	/nfs/dbraw/zinc/63/83/85/632638385.db2.gz	RXMSHUIIXLTIKE-LLVKDONJSA-N	-1	0	285.347	3.323	20	30		CGEDRM
CC1=CC[C@](C)(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870691648	633628000	/nfs/dbraw/zinc/62/80/00/633628000.db2.gz	SLWFDAOVSQNMFR-INIZCTEOSA-N	-1	0	270.332	3.105	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C23CC4CC(CC(C4)C2)C3)c1	ZINC000870693595	633628354	/nfs/dbraw/zinc/62/83/54/633628354.db2.gz	NHTJODHKOCGHHX-UHFFFAOYSA-N	-1	0	296.370	3.185	20	30		CGEDRM
O=C([O-])c1cccc(N=NC(C2CCC2)[C@@H]2CCCO2)c1	ZINC000872325248	634109352	/nfs/dbraw/zinc/10/93/52/634109352.db2.gz	JDXGCGJFPMUKNO-AWEZNQCLSA-N	-1	0	288.347	3.132	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNC[C@@H]1CCCC1(F)F	ZINC000872405860	634134625	/nfs/dbraw/zinc/13/46/25/634134625.db2.gz	DZKVQAJKVBTVEW-NSHDSACASA-N	-1	0	288.338	3.032	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000872753301	634201898	/nfs/dbraw/zinc/20/18/98/634201898.db2.gz	UPOUDKHSUIDJER-UHFFFAOYSA-N	-1	0	279.336	3.008	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)C1=C(C(=O)[O-])CCCC1	ZINC000872903193	634220515	/nfs/dbraw/zinc/22/05/15/634220515.db2.gz	LKIFKMNOUSFGGD-UHFFFAOYSA-N	-1	0	299.370	3.156	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])nc2)CCC[C@@H]1C	ZINC000835007535	634312866	/nfs/dbraw/zinc/31/28/66/634312866.db2.gz	XGCUNBOUYBSUBU-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009393	634313624	/nfs/dbraw/zinc/31/36/24/634313624.db2.gz	VCNVMBQFPCNWHP-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2C2CC2)cc1F	ZINC000835008630	634313703	/nfs/dbraw/zinc/31/37/03/634313703.db2.gz	IDFKPOWGIFPOOA-SNVBAGLBSA-N	-1	0	262.284	3.112	20	30		CGEDRM
COCC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009462	634314351	/nfs/dbraw/zinc/31/43/51/634314351.db2.gz	WOZVQDSTXWDZJQ-JTQLQIEISA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012502	634316192	/nfs/dbraw/zinc/31/61/92/634316192.db2.gz	QUUUFLWPBSHYFL-MRVPVSSYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1	ZINC000127609674	635739722	/nfs/dbraw/zinc/73/97/22/635739722.db2.gz	DRBIJKFNLKBLFS-LLVKDONJSA-N	-1	0	285.372	3.460	20	30		CGEDRM
COCC(CC(C)(C)C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000844563736	635931662	/nfs/dbraw/zinc/93/16/62/635931662.db2.gz	TVWQNOMKLBJJGK-UHFFFAOYSA-N	-1	0	278.352	3.235	20	30		CGEDRM
Cc1c(NN=C2CCCc3occc32)cccc1C(=O)[O-]	ZINC000844622567	635944679	/nfs/dbraw/zinc/94/46/79/635944679.db2.gz	GDMDEGLJGHWFCF-UHFFFAOYSA-N	-1	0	284.315	3.439	20	30		CGEDRM
CC[C@H]1CCC[C@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000881299831	636095116	/nfs/dbraw/zinc/09/51/16/636095116.db2.gz	XRQMSAWYVIPSLR-BBRMVZONSA-N	-1	0	272.348	3.185	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000846540586	636195880	/nfs/dbraw/zinc/19/58/80/636195880.db2.gz	BXUCDWSTWXXZQW-JTQLQIEISA-N	-1	0	285.796	3.445	20	30		CGEDRM
O=C(/C=C/c1cncs1)c1cc(Cl)ccc1[O-]	ZINC000130116070	636418245	/nfs/dbraw/zinc/41/82/45/636418245.db2.gz	NDPQZSRXERBBTR-DUXPYHPUSA-N	-1	0	265.721	3.398	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2)s1	ZINC000213226428	636439032	/nfs/dbraw/zinc/43/90/32/636439032.db2.gz	APPLZABFLVSTSL-SREVYHEPSA-N	-1	0	258.298	3.342	20	30		CGEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1	ZINC000213482704	636468645	/nfs/dbraw/zinc/46/86/45/636468645.db2.gz	FDCOYUYUUHCCCE-VURMDHGXSA-N	-1	0	275.304	3.463	20	30		CGEDRM
COC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCCCC1	ZINC000848414593	636570626	/nfs/dbraw/zinc/57/06/26/636570626.db2.gz	PKDZVIXKWLHDNU-UHFFFAOYSA-N	-1	0	290.363	3.061	20	30		CGEDRM
CC(CC(F)(F)F)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414992	636570699	/nfs/dbraw/zinc/57/06/99/636570699.db2.gz	UXPZETXILFZLDC-UHFFFAOYSA-N	-1	0	274.242	3.054	20	30		CGEDRM
C[C@@]1(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F	ZINC000849172498	636764423	/nfs/dbraw/zinc/76/44/23/636764423.db2.gz	SZENFKBQXVVFAI-DYPRAHPUSA-N	-1	0	284.262	3.155	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2=CCCCCC2)c1	ZINC000131943922	636768488	/nfs/dbraw/zinc/76/84/88/636768488.db2.gz	BMOUFMDKCNJVDN-UHFFFAOYSA-N	-1	0	256.305	3.093	20	30		CGEDRM
CC(C)(C)c1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)F)cc1	ZINC000108820940	636851932	/nfs/dbraw/zinc/85/19/32/636851932.db2.gz	CNMWXBLMWMDBLS-LLVKDONJSA-N	-1	0	284.281	3.227	20	30		CGEDRM
C=C(Cl)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000851707800	637469628	/nfs/dbraw/zinc/46/96/28/637469628.db2.gz	KQFZIJWDELZKNF-CHWSQXEVSA-N	-1	0	271.788	3.094	20	30		CGEDRM
C=CCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000852487753	637662666	/nfs/dbraw/zinc/66/26/66/637662666.db2.gz	ZAHKYPHSVLUILI-UHFFFAOYSA-N	-1	0	289.162	3.074	20	30		CGEDRM
CCOC1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000853354504	637823348	/nfs/dbraw/zinc/82/33/48/637823348.db2.gz	LZBGPHYJAAMEGU-UHFFFAOYSA-N	-1	0	294.326	3.271	20	30		CGEDRM
C[C@@H]1CCCCN1N=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000853381492	637830957	/nfs/dbraw/zinc/83/09/57/637830957.db2.gz	DPSFYHRUXCBNOF-FRRDWIJNSA-N	-1	0	280.412	3.374	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccnc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000853395013	637834137	/nfs/dbraw/zinc/83/41/37/637834137.db2.gz	HUJFQOIMOCIHJQ-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1C#N	ZINC000187999737	640112222	/nfs/dbraw/zinc/11/22/22/640112222.db2.gz	DZNZNDNQHSSWEE-DUXPYHPUSA-N	-1	0	285.324	3.230	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000076758823	640213470	/nfs/dbraw/zinc/21/34/70/640213470.db2.gz	VQDBKWVTFSBPSP-SECBINFHSA-N	-1	0	289.784	3.421	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000080298739	640465119	/nfs/dbraw/zinc/46/51/19/640465119.db2.gz	DLKQILOOKFUYEE-UHFFFAOYSA-N	-1	0	287.768	3.260	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1cc(Cl)ccc1Cl	ZINC000092465147	640737984	/nfs/dbraw/zinc/73/79/84/640737984.db2.gz	ZIPIJFWXXROBNO-UHFFFAOYSA-N	-1	0	274.147	3.066	20	30		CGEDRM
Cc1cc2cc(C(=O)Nc3ccc(C#N)cc3O)ccc2[nH]1	ZINC001156540014	805711008	/nfs/dbraw/zinc/71/10/08/805711008.db2.gz	VBYJLFLDBNQJIR-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cccc3cnsc32)ccc1O	ZINC001156667496	805724253	/nfs/dbraw/zinc/72/42/53/805724253.db2.gz	JHSXAHDTAAEPED-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(F)c(C#N)c1	ZINC001250636526	805741657	/nfs/dbraw/zinc/74/16/57/805741657.db2.gz	FCAOTPOEHPEXRY-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3c(ccc(F)c3F)[nH]2)c1	ZINC001251180226	805860066	/nfs/dbraw/zinc/86/00/66/805860066.db2.gz	JSFMQRSFZMUNEB-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc(F)c2)cc1	ZINC000028605393	798844385	/nfs/dbraw/zinc/84/43/85/798844385.db2.gz	VHASFGQCCMCULN-RMKNXTFCSA-N	-1	0	270.259	3.420	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)s1	ZINC000046927340	798891259	/nfs/dbraw/zinc/89/12/59/798891259.db2.gz	GWVCGFZMUFORCR-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC000328348768	799251653	/nfs/dbraw/zinc/25/16/53/799251653.db2.gz	PYWKNQPIGUFSJC-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1	ZINC000388463020	799452904	/nfs/dbraw/zinc/45/29/04/799452904.db2.gz	KJTPNCMCBCKADR-UHFFFAOYSA-N	-1	0	297.270	3.103	20	30		CGEDRM
O=C(C=Cc1cccc2c1OCCO2)c1sccc1[O-]	ZINC000588577148	799715787	/nfs/dbraw/zinc/71/57/87/799715787.db2.gz	WXXXWOBAURLPMV-PLNGDYQASA-N	-1	0	288.324	3.121	20	30		CGEDRM
CCCCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000703713063	799928686	/nfs/dbraw/zinc/92/86/86/799928686.db2.gz	GIADSLSKJJDBBT-UHFFFAOYSA-N	-1	0	280.324	3.001	20	30		CGEDRM
C=C1CCC(CNC(=O)CC(CC)(CC)C(=O)[O-])CC1	ZINC000724454282	800362729	/nfs/dbraw/zinc/36/27/29/800362729.db2.gz	JFOOHEFDJRPWQJ-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C/c1ccc(O)c(C(=O)[O-])c1)C2=O	ZINC000809154180	800413945	/nfs/dbraw/zinc/41/39/45/800413945.db2.gz	OTJSQVQKHYWZSJ-QPEQYQDCSA-N	-1	0	294.306	3.221	20	30		CGEDRM
CC1(C)CCC/C(=C\c2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000809157253	800414568	/nfs/dbraw/zinc/41/45/68/800414568.db2.gz	IVZDUJDIHZCGJK-DHZHZOJOSA-N	-1	0	274.316	3.253	20	30		CGEDRM
CC(C)(C)ON=Cc1cccc(Br)c1[O-]	ZINC001116405118	802343434	/nfs/dbraw/zinc/34/34/34/802343434.db2.gz	VLZLCPBBQPMNFW-UHFFFAOYSA-N	-1	0	272.142	3.304	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cc(F)c([O-])c(F)c3)cc12	ZINC001244098245	803186131	/nfs/dbraw/zinc/18/61/31/803186131.db2.gz	UYQUKMAWIREJBP-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(Cl)cc3[O-])ccc12	ZINC001244468511	803384116	/nfs/dbraw/zinc/38/41/16/803384116.db2.gz	SDRNMJRTWIKMEM-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
N#Cc1cnc(-c2cc(C(=O)[O-])c(Cl)cc2F)c(F)c1	ZINC001244610197	803463296	/nfs/dbraw/zinc/46/32/96/803463296.db2.gz	NOGWDMLTLDDGGA-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
COc1ccnc(-c2ccc(Cl)c([O-])c2F)c1C#N	ZINC001244631407	803473948	/nfs/dbraw/zinc/47/39/48/803473948.db2.gz	XXSGHAAFTIIIKD-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#CCc1ccc(-c2ccc(Cl)c([O-])c2F)cn1	ZINC001244632062	803474839	/nfs/dbraw/zinc/47/48/39/803474839.db2.gz	BPMNLWAEZBJCIE-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cc(C)c(C(=O)[O-])c(C)c2)n1	ZINC001244943863	803585035	/nfs/dbraw/zinc/58/50/35/803585035.db2.gz	AQQHWUXEVXXTTH-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COC(=O)c1cc(-c2cccc(C(=O)[O-])c2C)ccc1C#N	ZINC001245299651	803694483	/nfs/dbraw/zinc/69/44/83/803694483.db2.gz	HYVVDUMEXFLPFC-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc2c(c1)CC/C2=N/O	ZINC001245301564	803696162	/nfs/dbraw/zinc/69/61/62/803696162.db2.gz	TXVFMJNOROTRRV-VLGSPTGOSA-N	-1	0	281.311	3.485	20	30		CGEDRM
Cc1cc(-c2cc(CC(=O)[O-])ccc2F)ccc1CC#N	ZINC001245318678	803699928	/nfs/dbraw/zinc/69/99/28/803699928.db2.gz	ONHYQHMHCWJIHL-UHFFFAOYSA-N	-1	0	283.302	3.494	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])cc2Cl)c1	ZINC001245373815	803718736	/nfs/dbraw/zinc/71/87/36/803718736.db2.gz	NMACZDHGOWOVTK-UHFFFAOYSA-N	-1	0	271.703	3.472	20	30		CGEDRM
Cc1nsc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1C#N	ZINC001211958290	814961192	/nfs/dbraw/zinc/96/11/92/814961192.db2.gz	JGWRMXOXBDBVBO-UHFFFAOYSA-N	-1	0	293.735	3.418	20	30		CGEDRM
CC(C)CCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001137933088	803800317	/nfs/dbraw/zinc/80/03/17/803800317.db2.gz	UISSULZPKUAFJM-UHFFFAOYSA-N	-1	0	260.337	3.419	20	30		CGEDRM
N#CCc1cc(-c2cc([O-])c(F)c(F)c2F)ccc1C#N	ZINC001245637234	803874750	/nfs/dbraw/zinc/87/47/50/803874750.db2.gz	NNYVGPPDIBDMMG-UHFFFAOYSA-N	-1	0	288.228	3.414	20	30		CGEDRM
Cc1ccc(-c2cc([O-])c(F)c(F)c2F)nc1C#N	ZINC001245637031	803875157	/nfs/dbraw/zinc/87/51/57/803875157.db2.gz	RPMGJWSEOUYQPP-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
COc1cccc(-c2cc([O-])c(F)c(F)c2F)c1C#N	ZINC001245639323	803875658	/nfs/dbraw/zinc/87/56/58/803875658.db2.gz	UTFLGCGSKUNQHJ-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
N#CCc1ncccc1-c1cc(Cl)c([O-])cc1F	ZINC001245670552	803900893	/nfs/dbraw/zinc/90/08/93/803900893.db2.gz	KCJZIBYZOHAPGB-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
COc1cccc(-c2cc(=O)n(-c3cccc(C#N)c3)[n-]2)c1	ZINC001245917118	804042931	/nfs/dbraw/zinc/04/29/31/804042931.db2.gz	FPANILFKIOPBDV-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2cccc(F)c2)cc1=O	ZINC001245919695	804047320	/nfs/dbraw/zinc/04/73/20/804047320.db2.gz	FBEVRJPRAPISRO-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3cc(F)ccc3F)cc2=O)c1	ZINC001245929745	804058309	/nfs/dbraw/zinc/05/83/09/804058309.db2.gz	HDNUDRGDVNYMFR-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3cccc(F)c3F)[n-]2)cc1	ZINC001245934016	804065043	/nfs/dbraw/zinc/06/50/43/804065043.db2.gz	XSAMFJBWECDCCU-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(Cc3ccccc3)[n-]2)c1	ZINC001245937360	804067282	/nfs/dbraw/zinc/06/72/82/804067282.db2.gz	NJHQNYHBOXIVBS-UHFFFAOYSA-N	-1	0	275.311	3.176	20	30		CGEDRM
CN(CCC#N)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140830364	804531622	/nfs/dbraw/zinc/53/16/22/804531622.db2.gz	VSEZOBGHYXTRRB-UHFFFAOYSA-N	-1	0	259.136	3.044	20	30		CGEDRM
Cc1coc(Nc2ccc(C(=O)[O-])c(F)c2F)c1C#N	ZINC001212512319	815044500	/nfs/dbraw/zinc/04/45/00/815044500.db2.gz	HDKBIIWTPYQFAS-UHFFFAOYSA-N	-1	0	278.214	3.180	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212513262	815044799	/nfs/dbraw/zinc/04/47/99/815044799.db2.gz	IIVDVNLATKSLIS-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1cc([O-])c(F)c(F)c1F	ZINC001249964378	805332346	/nfs/dbraw/zinc/33/23/46/805332346.db2.gz	BXKAGGPBPVYSGS-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#Cc1ccccc1Cc1cc([O-])c(F)c(F)c1F	ZINC001250047647	805386539	/nfs/dbraw/zinc/38/65/39/805386539.db2.gz	QQTAJPYYAIVDOY-UHFFFAOYSA-N	-1	0	263.218	3.272	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2ccc(C=CC(=O)[O-])cc2)cc1	ZINC001250207984	805490197	/nfs/dbraw/zinc/49/01/97/805490197.db2.gz	FNVPKRHZQNGMIC-JXMROGBWSA-N	-1	0	291.306	3.081	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2F)c(O)c1	ZINC001154947788	805511391	/nfs/dbraw/zinc/51/13/91/805511391.db2.gz	RNQHDNJIJJOJKV-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)c(C)c1	ZINC001260069371	807696075	/nfs/dbraw/zinc/69/60/75/807696075.db2.gz	YLHHJYSXEZIBFT-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2cccc(F)n2)o1	ZINC001263378798	807949309	/nfs/dbraw/zinc/94/93/09/807949309.db2.gz	RUKIXZITJRSZQK-MRVPVSSYSA-N	-1	0	276.292	3.026	20	30		CGEDRM
COCOc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001212896825	815179747	/nfs/dbraw/zinc/17/97/47/815179747.db2.gz	HEIGOMROOXCRNE-UHFFFAOYSA-N	-1	0	276.317	3.052	20	30		CGEDRM
COCc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001174096107	808862370	/nfs/dbraw/zinc/86/23/70/808862370.db2.gz	WBNMGFLOGBFOBC-UHFFFAOYSA-N	-1	0	272.279	3.293	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(-n2cccn2)c1	ZINC001174298783	808940641	/nfs/dbraw/zinc/94/06/41/808940641.db2.gz	DOTULCNACGXXBN-UHFFFAOYSA-N	-1	0	282.328	3.255	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccnc(C(F)(F)F)c1	ZINC001174362995	808976502	/nfs/dbraw/zinc/97/65/02/808976502.db2.gz	YRMFKMSGLBEVCA-UHFFFAOYSA-N	-1	0	285.250	3.483	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])cc2OC)c1	ZINC001174675972	809126409	/nfs/dbraw/zinc/12/64/09/809126409.db2.gz	ZTYGZWJASJOVIH-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1cc(Nc2c(F)cccc2C#N)ccc1C(=O)[O-]	ZINC001174684680	809129932	/nfs/dbraw/zinc/12/99/32/809129932.db2.gz	FMHQGJYTCABORQ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1F	ZINC001174951725	809212432	/nfs/dbraw/zinc/21/24/32/809212432.db2.gz	CGUNYNZLYIXNEP-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)c(F)c1F	ZINC001174966913	809221035	/nfs/dbraw/zinc/22/10/35/809221035.db2.gz	DOYJIJMIWFXIRK-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
Cc1coc(Nc2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001174981422	809224573	/nfs/dbraw/zinc/22/45/73/809224573.db2.gz	DEWIYSFEGQRMHY-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1F	ZINC001174981933	809224703	/nfs/dbraw/zinc/22/47/03/809224703.db2.gz	KQOZGSAYEGUUAG-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(F)c1	ZINC001174982874	809225499	/nfs/dbraw/zinc/22/54/99/809225499.db2.gz	ZBIJAXXODBSHHH-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001175159505	809292252	/nfs/dbraw/zinc/29/22/52/809292252.db2.gz	FSQCUBUUSTYRET-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175220800	809312870	/nfs/dbraw/zinc/31/28/70/809312870.db2.gz	AYYMWTSDBISVQB-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cc(Nc2cnc3cccnc3c2)c([O-])cc1F	ZINC001175361093	809378451	/nfs/dbraw/zinc/37/84/51/809378451.db2.gz	VCLNFTOMXUOBEH-UHFFFAOYSA-N	-1	0	280.262	3.090	20	30		CGEDRM
C=CC[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC001293502294	809449842	/nfs/dbraw/zinc/44/98/42/809449842.db2.gz	HTNOKPPDICNZOF-QMMMGPOBSA-N	-1	0	273.254	3.105	20	30		CGEDRM
C#CCSCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001295860877	809494153	/nfs/dbraw/zinc/49/41/53/809494153.db2.gz	BOFYBBZXXTUTPU-UHFFFAOYSA-N	-1	0	290.171	3.004	20	30		CGEDRM
N#CC[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1	ZINC001296234056	809501125	/nfs/dbraw/zinc/50/11/25/809501125.db2.gz	PZLZLDSFSVKISI-MRXNPFEDSA-N	-1	0	298.317	3.071	20	30		CGEDRM
N#Cc1cc(Nc2cnn(C3CCC3)c2)c([O-])cc1F	ZINC001175762003	809536072	/nfs/dbraw/zinc/53/60/72/809536072.db2.gz	YVGSZVIIMWMGNU-UHFFFAOYSA-N	-1	0	272.283	3.068	20	30		CGEDRM
C#Cc1ccc(Nc2cc(OC)cc(C(=O)[O-])c2)cc1	ZINC001213595295	815308222	/nfs/dbraw/zinc/30/82/22/815308222.db2.gz	XRDRAPCWWCJAJT-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
Cc1cc(C#N)c(Nc2csc(C(=O)[O-])c2)s1	ZINC001176435544	809696146	/nfs/dbraw/zinc/69/61/46/809696146.db2.gz	DWHRICUEEUNROF-UHFFFAOYSA-N	-1	0	264.331	3.432	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1C#N	ZINC001176595793	809727440	/nfs/dbraw/zinc/72/74/40/809727440.db2.gz	PHZURONGVVVCLW-FPYGCLRLSA-N	-1	0	289.294	3.271	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(O)c1	ZINC001176670382	809739526	/nfs/dbraw/zinc/73/95/26/809739526.db2.gz	GDYNTCATRWZJKH-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
COc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176714457	809748793	/nfs/dbraw/zinc/74/87/93/809748793.db2.gz	DEIOWSYSXRJMRJ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CN(CC1CCCCC1)C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184243291	810184954	/nfs/dbraw/zinc/18/49/54/810184954.db2.gz	HJQUQNDIBLTSGM-UHFFFAOYSA-N	-1	0	274.384	3.075	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2cc(F)cc(F)c2)c1	ZINC001187570202	810405438	/nfs/dbraw/zinc/40/54/38/810405438.db2.gz	LHZUOOUVMMCQLN-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
Cc1ccc(NC(=O)Nc2ccc(O)c(C#N)c2)cc1F	ZINC001187989859	810438706	/nfs/dbraw/zinc/43/87/06/810438706.db2.gz	SLHOGRJJZYVVFK-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1ncc(C)o1	ZINC001187992526	810439639	/nfs/dbraw/zinc/43/96/39/810439639.db2.gz	NYQAFGONTMFLBR-UHFFFAOYSA-N	-1	0	274.386	3.085	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1ncc(F)s1	ZINC001187993007	810439965	/nfs/dbraw/zinc/43/99/65/810439965.db2.gz	DQIVZWNADJJTET-UHFFFAOYSA-N	-1	0	294.417	3.384	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)CC2CCC2)cc1Cl	ZINC001193523788	810903323	/nfs/dbraw/zinc/90/33/23/810903323.db2.gz	NJZUVYTXLGQDIE-UHFFFAOYSA-N	-1	0	298.795	3.062	20	30		CGEDRM
CC(C)(C)CC(C)(C)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193657679	810930567	/nfs/dbraw/zinc/93/05/67/810930567.db2.gz	BFLJSCAVVDUPSY-UHFFFAOYSA-N	-1	0	274.364	3.208	20	30		CGEDRM
CCCCCCCOC(=O)Nc1cc(=O)[n-]c(Cl)n1	ZINC001193994107	810997786	/nfs/dbraw/zinc/99/77/86/810997786.db2.gz	LRIGFNZSQPQHEG-UHFFFAOYSA-N	-1	0	287.747	3.355	20	30		CGEDRM
Cc1nc(C#N)c(Nc2cc(C(=O)[O-])c(Cl)cc2F)o1	ZINC001214740250	815447590	/nfs/dbraw/zinc/44/75/90/815447590.db2.gz	NGZGBNLKPGDEIE-UHFFFAOYSA-N	-1	0	295.657	3.089	20	30		CGEDRM
N#Cc1ccc(Nc2cnc(F)c(C(=O)[O-])c2)cc1Cl	ZINC001215107582	815483582	/nfs/dbraw/zinc/48/35/82/815483582.db2.gz	RCLYBJFUWINQNM-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ncc([N-]c2nc3ccc(F)cc3o2)cc1F	ZINC001203049289	812230045	/nfs/dbraw/zinc/23/00/45/812230045.db2.gz	PTYUSBQIUBLCPK-UHFFFAOYSA-N	-1	0	272.214	3.116	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203283453	812291010	/nfs/dbraw/zinc/29/10/10/812291010.db2.gz	KIBQHYYIXRZPKG-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccc(C(=O)[O-])cc2F)c1F	ZINC001203292644	812296217	/nfs/dbraw/zinc/29/62/17/812296217.db2.gz	SRPLMHHVMCCJSI-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001203293722	812297168	/nfs/dbraw/zinc/29/71/68/812297168.db2.gz	ZUWJJYZMIOGQGZ-UHFFFAOYSA-N	-1	0	298.273	3.342	20	30		CGEDRM
N#CCc1cccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001215469336	815522335	/nfs/dbraw/zinc/52/23/35/815522335.db2.gz	RSCIPZCIUNONPD-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1cnoc1Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC001215641149	815550049	/nfs/dbraw/zinc/55/00/49/815550049.db2.gz	FWYHMDBBIAGXKV-UHFFFAOYSA-N	-1	0	297.192	3.007	20	30		CGEDRM
C#Cc1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001215614620	815547922	/nfs/dbraw/zinc/54/79/22/815547922.db2.gz	NQYRYZOJIVVNLC-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cc(F)c(F)c(C(=O)[O-])c3)cnc12	ZINC001206045161	813179520	/nfs/dbraw/zinc/17/95/20/813179520.db2.gz	IQUNMJWWOOPSLP-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
CC(C)(C)c1noc([N-]c2ccccc2[N+](=O)[O-])c1C#N	ZINC001206150431	813213885	/nfs/dbraw/zinc/21/38/85/813213885.db2.gz	TXDGIOWCDWGPNG-UHFFFAOYSA-N	-1	0	286.291	3.496	20	30		CGEDRM
COc1ccc(Nc2oc(C)c(C)c2C#N)cc1C(=O)[O-]	ZINC001209899075	814192875	/nfs/dbraw/zinc/19/28/75/814192875.db2.gz	LBNYQXYGVJZABG-UHFFFAOYSA-N	-1	0	286.287	3.219	20	30		CGEDRM
C#Cc1ccccc1Nc1cccc(CC(=O)[O-])c1	ZINC001210072933	814274794	/nfs/dbraw/zinc/27/47/94/814274794.db2.gz	BKYFCCBFKPXOKX-UHFFFAOYSA-N	-1	0	251.285	3.039	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(F)c1	ZINC001210258346	814369061	/nfs/dbraw/zinc/36/90/61/814369061.db2.gz	MRBXMPFDHXEBFC-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2cccc([N+](=O)[O-])c2F)c1	ZINC001210383866	814436249	/nfs/dbraw/zinc/43/62/49/814436249.db2.gz	BMIJVRWPEJVWMW-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
C#Cc1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210395241	814442001	/nfs/dbraw/zinc/44/20/01/814442001.db2.gz	SBPBLDUHEGMWBK-UHFFFAOYSA-N	-1	0	254.245	3.025	20	30		CGEDRM
N#Cc1cc(Nc2ccc3ncncc3c2)c([O-])cc1F	ZINC001210458394	814468415	/nfs/dbraw/zinc/46/84/15/814468415.db2.gz	GQPGEEBXEYWPHV-UHFFFAOYSA-N	-1	0	280.262	3.090	20	30		CGEDRM
N#Cc1cc(N)c(Nc2cccc([S-])c2)cc1C#N	ZINC001210948711	814687390	/nfs/dbraw/zinc/68/73/90/814687390.db2.gz	ZKEAHMXHIUQUMW-UHFFFAOYSA-N	-1	0	266.329	3.044	20	30		CGEDRM
Cc1ccc([N+](=O)[O-])cc1Nc1cc(C#N)ccc1[O-]	ZINC001211289258	814871555	/nfs/dbraw/zinc/87/15/55/814871555.db2.gz	MMHSWZJIZKWHKO-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(F)c(F)c1N	ZINC001216010519	815660614	/nfs/dbraw/zinc/66/06/14/815660614.db2.gz	KUDPEXXBSVTLCK-UHFFFAOYSA-N	-1	0	285.250	3.068	20	30		CGEDRM
COc1cc(Nc2cccc(C(=O)[O-])c2C)ccc1C#N	ZINC001216661382	815888890	/nfs/dbraw/zinc/88/88/90/815888890.db2.gz	GXTDUEZHPQECSL-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216681305	815892628	/nfs/dbraw/zinc/89/26/28/815892628.db2.gz	BXKJWQZTLLAWAN-UHFFFAOYSA-N	-1	0	269.275	3.178	20	30		CGEDRM
Cc1ccc(F)cc1-c1noc(-c2ccc([O-])c(C#N)c2)n1	ZINC001216969914	815904257	/nfs/dbraw/zinc/90/42/57/815904257.db2.gz	UPLOPHSOZYSYLX-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1cccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1	ZINC001216969801	815904270	/nfs/dbraw/zinc/90/42/70/815904270.db2.gz	QZWXPXQZJBSRNI-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccccc1C(=O)[O-]	ZINC001242878457	823162115	/nfs/dbraw/zinc/16/21/15/823162115.db2.gz	ZCLCVNJNRLGWCR-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccccc1C(=O)[O-]	ZINC001242881318	823163400	/nfs/dbraw/zinc/16/34/00/823163400.db2.gz	IJRFYCWXXRNTDA-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
C[C@@H](OCCOc1ccccc1C#N)C1=CC=C[CH]1	ZINC001222424818	816441583	/nfs/dbraw/zinc/44/15/83/816441583.db2.gz	YSUMPOKKJHTRQA-CYBMUJFWSA-N	-1	0	254.309	3.043	20	30		CGEDRM
C[C@H]1C[C@H](O/C(=N\O)c2ccc(Cl)cc2)CCO1	ZINC001223592770	816654409	/nfs/dbraw/zinc/65/44/09/816654409.db2.gz	DXKSFOVTMWPSIT-TUKVHPRHSA-N	-1	0	269.728	3.060	20	30		CGEDRM
C=C[C@@H](CCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891561	816698473	/nfs/dbraw/zinc/69/84/73/816698473.db2.gz	NCVOPPSEOWSDTH-YOJQOHNYSA-N	-1	0	279.336	3.211	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)(C)C	ZINC001226008382	817247506	/nfs/dbraw/zinc/24/75/06/817247506.db2.gz	GYIUQTHNMRHUTB-SNVBAGLBSA-N	-1	0	252.289	3.001	20	30		CGEDRM
Cc1cccc2c1CC[C@H]2Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013470	817249242	/nfs/dbraw/zinc/24/92/42/817249242.db2.gz	NMPPFURYUAHGQB-CQSZACIVSA-N	-1	0	284.290	3.173	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1c(F)cccc1F	ZINC001226013236	817249263	/nfs/dbraw/zinc/24/92/63/817249263.db2.gz	KWLUFXSDILBIAK-SSDOTTSWSA-N	-1	0	294.232	3.216	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013698	817249376	/nfs/dbraw/zinc/24/93/76/817249376.db2.gz	QNWFYHSNUOHPRX-LLVKDONJSA-N	-1	0	264.300	3.312	20	30		CGEDRM
C=C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226015135	817250826	/nfs/dbraw/zinc/25/08/26/817250826.db2.gz	GMIBHTAFDGNGIT-CYBMUJFWSA-N	-1	0	270.263	3.104	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccc(F)c2)c1C#N	ZINC001226222067	817302243	/nfs/dbraw/zinc/30/22/43/817302243.db2.gz	UQFHTQRMCLRIGB-SNVBAGLBSA-N	-1	0	272.279	3.246	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2c(F)cccc2F)c1C#N	ZINC001226222029	817302646	/nfs/dbraw/zinc/30/26/46/817302646.db2.gz	SOFZCYGGXRJBOB-SECBINFHSA-N	-1	0	290.269	3.386	20	30		CGEDRM
CC[C@H](Oc1nccc(/C=N/O)n1)c1cccc(F)c1C	ZINC001226257272	817312351	/nfs/dbraw/zinc/31/23/51/817312351.db2.gz	YYKQDADMRVAPAC-RMNBPEERSA-N	-1	0	289.310	3.262	20	30		CGEDRM
C#C[C@@H](Oc1c(O)ccc(C(C)=O)c1O)c1ccccc1	ZINC001226482544	817371293	/nfs/dbraw/zinc/37/12/93/817371293.db2.gz	OZKVIZWFIYWCQZ-OAHLLOKOSA-N	-1	0	282.295	3.054	20	30		CGEDRM
COC(=O)c1ccc(-c2cc(C)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001243182896	823278054	/nfs/dbraw/zinc/27/80/54/823278054.db2.gz	VZFNGACZTMOEKM-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=S)nnc2C)C1	ZINC001227597367	817677590	/nfs/dbraw/zinc/67/75/90/817677590.db2.gz	BIAASCDZWYWPME-VXGBXAGGSA-N	-1	0	277.393	3.149	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611783	817681349	/nfs/dbraw/zinc/68/13/49/817681349.db2.gz	SFQPDFXWXDPYSJ-SECBINFHSA-N	-1	0	279.365	3.306	20	30		CGEDRM
COC(=O)c1cc(-c2ccc(C)c(C(=O)[O-])c2)ccc1C#N	ZINC001243196587	823286232	/nfs/dbraw/zinc/28/62/32/823286232.db2.gz	ZWVLJGWTNKMVBT-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)CC/C2=N/O	ZINC001243204431	823289851	/nfs/dbraw/zinc/28/98/51/823289851.db2.gz	AYBIONFATLTLRX-VLGSPTGOSA-N	-1	0	281.311	3.485	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])c(C)c2)nc1C	ZINC001243210207	823293225	/nfs/dbraw/zinc/29/32/25/823293225.db2.gz	BOZRNMQXMYNHEK-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
C=C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1	ZINC001228483740	817919017	/nfs/dbraw/zinc/91/90/17/817919017.db2.gz	XAQIWDUEZMYYOO-LLVKDONJSA-N	-1	0	262.696	3.142	20	30		CGEDRM
N#C[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232629033	818405224	/nfs/dbraw/zinc/40/52/24/818405224.db2.gz	ZPLPDEABGANFDD-SECBINFHSA-N	-1	0	285.174	3.435	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243322803	823347183	/nfs/dbraw/zinc/34/71/83/823347183.db2.gz	NDSJZZISICYEDY-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1n[n-]c(=O)cc1Cl	ZINC001233588568	818650276	/nfs/dbraw/zinc/65/02/76/818650276.db2.gz	GDFQELSMWADVCG-GFCCVEGCSA-N	-1	0	288.734	3.045	20	30		CGEDRM
C=C(C)C[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(=C)C	ZINC001234335030	818839731	/nfs/dbraw/zinc/83/97/31/818839731.db2.gz	JOYNBCOOQIFSGI-CQSZACIVSA-N	-1	0	298.275	3.448	20	30		CGEDRM
C[C@H](CS)Oc1ccc2[n-]c(=S)sc2c1	ZINC001234422999	818852058	/nfs/dbraw/zinc/85/20/58/818852058.db2.gz	BDUDCVZYMSVSPO-ZCFIWIBFSA-N	-1	0	257.405	3.282	20	30		CGEDRM
C=C[C@H](CCCC)Oc1cc(O)c(O)cc1C(C)=O	ZINC001234475263	818862934	/nfs/dbraw/zinc/86/29/34/818862934.db2.gz	FHXGBSBVDRQIGH-LLVKDONJSA-N	-1	0	264.321	3.424	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(=C)C	ZINC001234513454	818871629	/nfs/dbraw/zinc/87/16/29/818871629.db2.gz	LFYYNEGSJPWSOA-AWEZNQCLSA-N	-1	0	295.342	3.497	20	30		CGEDRM
CCC[C@H](CC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530782	818876087	/nfs/dbraw/zinc/87/60/87/818876087.db2.gz	MWLZZDYWQDAJFQ-NSHDSACASA-N	-1	0	271.320	3.165	20	30		CGEDRM
C[C@H](Oc1ccc(Br)c(C#N)n1)C1=CC=C[CH]1	ZINC001234639881	818899494	/nfs/dbraw/zinc/89/94/94/818899494.db2.gz	DIRBHRWBFSFCLR-VIFPVBQESA-N	-1	0	290.140	3.184	20	30		CGEDRM
N#CCc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1C#N	ZINC001235459413	819105313	/nfs/dbraw/zinc/10/53/13/819105313.db2.gz	QFVRGXGEXYUQDF-FPYGCLRLSA-N	-1	0	288.306	3.389	20	30		CGEDRM
Cc1c(Cl)c(-c2ccnc(CC#N)c2)ccc1C(=O)[O-]	ZINC001236129838	819333736	/nfs/dbraw/zinc/33/37/36/819333736.db2.gz	UXCQQOWMOGCXOG-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])cc2F)ccc1F	ZINC001239274880	820249930	/nfs/dbraw/zinc/24/99/30/820249930.db2.gz	IXDXDIOYHJHMOD-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
Nc1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)c(F)n1	ZINC001239828169	820645210	/nfs/dbraw/zinc/64/52/10/820645210.db2.gz	IHDQBEZREZQJAC-KPSZGOFPSA-N	-1	0	299.227	3.297	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240546970	821133257	/nfs/dbraw/zinc/13/32/57/821133257.db2.gz	OTGSXQOFJWCZPG-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(F)cc(CC#N)c1	ZINC001240738237	821291580	/nfs/dbraw/zinc/29/15/80/821291580.db2.gz	IYCDSILDBGBZAP-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])s2)cc1C#N	ZINC001240848125	821368219	/nfs/dbraw/zinc/36/82/19/821368219.db2.gz	QTBIJDUWGLKYOA-UHFFFAOYSA-N	-1	0	268.297	3.051	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cc1	ZINC001241001449	821479606	/nfs/dbraw/zinc/47/96/06/821479606.db2.gz	XWXUYNOTRNXQBF-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2c(F)cc([O-])cc2F)n1	ZINC001241118279	821573668	/nfs/dbraw/zinc/57/36/68/821573668.db2.gz	PYCOMMCYYXJCKC-UHFFFAOYSA-N	-1	0	293.298	3.029	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001241186868	821623599	/nfs/dbraw/zinc/62/35/99/821623599.db2.gz	JHZBTDCEQORQBM-RQZCQDPDSA-N	-1	0	273.263	3.389	20	30		CGEDRM
N#Cc1nc(-c2cccc(C(=O)[O-])c2)ccc1C(F)(F)F	ZINC001241356750	821758091	/nfs/dbraw/zinc/75/80/91/821758091.db2.gz	DVWBXBRIUIMHIE-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1cccc(C(=O)[O-])c1	ZINC001241360064	821760509	/nfs/dbraw/zinc/76/05/09/821760509.db2.gz	CEQPYIVDOWVLGT-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
N#CC1(c2ccc(-c3cncc(C(=O)[O-])c3)cc2)CCC1	ZINC001241803554	822152517	/nfs/dbraw/zinc/15/25/17/822152517.db2.gz	QXHQMGCUMOEKQC-UHFFFAOYSA-N	-1	0	278.311	3.392	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cc(F)cc(C(=O)[O-])c3)c2c1	ZINC001241812660	822158626	/nfs/dbraw/zinc/15/86/26/822158626.db2.gz	JXNZJOWQIBYGOY-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241834766	822170939	/nfs/dbraw/zinc/17/09/39/822170939.db2.gz	XPJJKXKGBPODMI-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1cc(N)ncc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001242089523	822344303	/nfs/dbraw/zinc/34/43/03/822344303.db2.gz	BKGUUDDJAOJSLC-CGOBSMCZSA-N	-1	0	295.264	3.466	20	30		CGEDRM
COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncc1C#N	ZINC001242147915	822893857	/nfs/dbraw/zinc/89/38/57/822893857.db2.gz	JAEYOHIRIROKCU-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#Cc1ccc2ncc(-c3ccc(F)cc3[O-])nc2c1	ZINC001242217861	822914844	/nfs/dbraw/zinc/91/48/44/822914844.db2.gz	MDUSRBOMNBPSJS-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1cnc(-c2cccc(F)c2[O-])cc1C(F)(F)F	ZINC001242349553	822960252	/nfs/dbraw/zinc/96/02/52/822960252.db2.gz	MKHAXTVVONYLPJ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)CC/C2=N/O	ZINC001242391677	822979357	/nfs/dbraw/zinc/97/93/57/822979357.db2.gz	CABVPXVOEGLZIT-SDXDJHTJSA-N	-1	0	297.310	3.185	20	30		CGEDRM
N#Cc1cc(-c2ccc([O-])c(C#N)c2)nc(C(F)(F)F)c1	ZINC001242562948	823033690	/nfs/dbraw/zinc/03/36/90/823033690.db2.gz	PEGMVQBWXFCIKB-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
Cn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001342924070	936483876	/nfs/dbraw/zinc/48/38/76/936483876.db2.gz	JLMUYDLZNXJJSL-OQZOHAQUSA-N	-1	0	275.327	3.030	20	30		CGEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1nc(C2CC2)cs1	ZINC001343499770	936504591	/nfs/dbraw/zinc/50/45/91/936504591.db2.gz	FYWXIEFLPFOJDE-SNVBAGLBSA-N	-1	0	299.355	3.376	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001345781084	936824818	/nfs/dbraw/zinc/82/48/18/936824818.db2.gz	MJLRWKQRZDTRFG-UONOGXRCSA-N	-1	0	273.332	3.170	20	30		CGEDRM
C#Cc1cccc(N(CC)C(=O)c2cccc(F)c2[O-])c1	ZINC001352790430	937049466	/nfs/dbraw/zinc/04/94/66/937049466.db2.gz	JSOFCFSPEZPAIH-UHFFFAOYSA-N	-1	0	283.302	3.179	20	30		CGEDRM
N#CCC[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccccc1	ZINC001357212319	937168077	/nfs/dbraw/zinc/16/80/77/937168077.db2.gz	KVIFCGUBEBWZPA-OAHLLOKOSA-N	-1	0	298.317	3.306	20	30		CGEDRM
CCCc1ccccc1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412375858	928578843	/nfs/dbraw/zinc/57/88/43/928578843.db2.gz	AJTPDYPOYDRFFA-UHFFFAOYSA-N	-1	0	295.342	3.172	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2ccc(F)cc2[O-])c1	ZINC001202785689	928737031	/nfs/dbraw/zinc/73/70/31/928737031.db2.gz	FVEONSGDWGVSRR-UHFFFAOYSA-N	-1	0	271.251	3.047	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1c[n-]ncc1=O)c1ccccc1	ZINC001455281008	937416448	/nfs/dbraw/zinc/41/64/48/937416448.db2.gz	BKYIVHNKVSCDLY-OAHLLOKOSA-N	-1	0	297.358	3.010	20	30		CGEDRM
CCOc1ccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228901131	932047732	/nfs/dbraw/zinc/04/77/32/932047732.db2.gz	JSZYMENCVUNAQR-NSHDSACASA-N	-1	0	284.315	3.198	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(F)c1F	ZINC001228902008	932048107	/nfs/dbraw/zinc/04/81/07/932048107.db2.gz	ONMHDCVUAJXOKE-MRVPVSSYSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C=C[C@H](CC)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229355731	932138402	/nfs/dbraw/zinc/13/84/02/932138402.db2.gz	KTLZKNJUGXICME-LLVKDONJSA-N	-1	0	292.356	3.430	20	30		CGEDRM
C=CCC1(NC(=O)c2cccc(F)c2[O-])CCCC1	ZINC001461609373	937588103	/nfs/dbraw/zinc/58/81/03/937588103.db2.gz	TYDCOOMXYRVZKQ-UHFFFAOYSA-N	-1	0	263.312	3.150	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](Oc2nc[n-]c(=O)c2Cl)C(C)(C)O1	ZINC001230018085	932522140	/nfs/dbraw/zinc/52/21/40/932522140.db2.gz	MMBAKPYPWRMVIO-YMTOWFKASA-N	-1	0	298.770	3.117	20	30		CGEDRM
Cc1cc(Cl)c(C#N)c(O[C@@H](C)C2=CC=C[CH]2)n1	ZINC001230183114	932539898	/nfs/dbraw/zinc/53/98/98/932539898.db2.gz	IPRDEMSAHRBTQT-JTQLQIEISA-N	-1	0	259.716	3.383	20	30		CGEDRM
C=CC(C=C)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230667382	932605442	/nfs/dbraw/zinc/60/54/42/932605442.db2.gz	ZWDXHONNMXBGJX-UHFFFAOYSA-N	-1	0	268.272	3.201	20	30		CGEDRM
C#C[C@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231045322	932664700	/nfs/dbraw/zinc/66/47/00/932664700.db2.gz	VAVFRZYWJMGNRU-ZCFIWIBFSA-N	-1	0	270.119	3.055	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1F	ZINC001321266053	934169558	/nfs/dbraw/zinc/16/95/58/934169558.db2.gz	WDFXCJGQRVGZHA-HYXAFXHYSA-N	-1	0	278.304	3.498	20	30		CGEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)C(C)(C)C	ZINC001324321702	934485522	/nfs/dbraw/zinc/48/55/22/934485522.db2.gz	KJZFZUZRQSSPAR-UHFFFAOYSA-N	-1	0	291.457	3.372	20	30		CGEDRM
C=C(C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC001526721747	938057654	/nfs/dbraw/zinc/05/76/54/938057654.db2.gz	QAHNDQFNKWNDRH-ZDUSSCGKSA-N	-1	0	295.766	3.328	20	30		CGEDRM
CCCC(C#N)(CCC)NC(=O)c1cccc(F)c1[O-]	ZINC001544511182	938145494	/nfs/dbraw/zinc/14/54/94/938145494.db2.gz	MAYVVLOAKVKRSJ-UHFFFAOYSA-N	-1	0	278.327	3.124	20	30		CGEDRM
C=CCC1(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCC1	ZINC001602718728	971376298	/nfs/dbraw/zinc/37/62/98/971376298.db2.gz	UMCCNQQNSSJRLS-UHFFFAOYSA-N	-1	0	299.370	3.410	20	30		CGEDRM
C#CCN(CC(=O)[O-])[C@@H](C)c1ccc(Cl)cc1Cl	ZINC000092492015	949162492	/nfs/dbraw/zinc/16/24/92/949162492.db2.gz	DPYKULQLFHWTRD-VIFPVBQESA-N	-1	0	286.158	3.074	20	30		CGEDRM
N#Cc1c(F)cccc1NCc1ccccc1C(=O)[O-]	ZINC000236460804	949910400	/nfs/dbraw/zinc/91/04/00/949910400.db2.gz	MPIGWMNWWNLHAR-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#C[C@H](C(=O)CCCCC(=O)[O-])c1nccc2ccccc21	ZINC001594601036	956130166	/nfs/dbraw/zinc/13/01/66/956130166.db2.gz	IZEZRURPWYCYPO-CQSZACIVSA-N	-1	0	296.326	3.056	20	30		CGEDRM
Cc1cc(C#N)cc(Sc2ccc(C(=O)[O-])cc2)n1	ZINC000161432103	959184943	/nfs/dbraw/zinc/18/49/43/959184943.db2.gz	QZLMARMVOIJZDS-UHFFFAOYSA-N	-1	0	270.313	3.111	20	30		CGEDRM
N#Cc1sc(Nc2cccc(CC(=O)[O-])c2)nc1Cl	ZINC001594634918	960518632	/nfs/dbraw/zinc/51/86/32/960518632.db2.gz	DFBAIRYSAYIFGQ-UHFFFAOYSA-N	-1	0	293.735	3.039	20	30		CGEDRM
Cc1nc(N[C@H](CC(C)(C)C)C(=O)[O-])c(Cl)cc1C#N	ZINC001600713951	960541599	/nfs/dbraw/zinc/54/15/99/960541599.db2.gz	FSCUHVVAEUAJIO-LLVKDONJSA-N	-1	0	295.770	3.216	20	30		CGEDRM
N#CC1(CSCc2ccccc2CC(=O)[O-])CCC1	ZINC001601058104	960547074	/nfs/dbraw/zinc/54/70/74/960547074.db2.gz	LBDUBYOZTWKWAQ-UHFFFAOYSA-N	-1	0	275.373	3.241	20	30		CGEDRM
C#CCCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-]	ZINC001602703219	960547992	/nfs/dbraw/zinc/54/79/92/960547992.db2.gz	YHPSJAZXSWLQIF-UHFFFAOYSA-N	-1	0	293.388	3.486	20	30		CGEDRM
N#CCc1ccc(NCc2cccc(C(=O)[O-])c2)cc1	ZINC000236487715	960677753	/nfs/dbraw/zinc/67/77/53/960677753.db2.gz	OLBNYBFAWXLZNE-UHFFFAOYSA-N	-1	0	266.300	3.063	20	30		CGEDRM
C=C1CCC(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])CC1	ZINC001573329456	962242690	/nfs/dbraw/zinc/24/26/90/962242690.db2.gz	GZKGAHPTKAIMDC-CYBMUJFWSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC1(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CCCCC1	ZINC001573328981	962246515	/nfs/dbraw/zinc/24/65/15/962246515.db2.gz	UDDQWEPEBYZUML-KGLIPLIRSA-N	-1	0	293.407	3.082	20	30		CGEDRM
Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(C)c1C#N	ZINC001574678912	962307822	/nfs/dbraw/zinc/30/78/22/962307822.db2.gz	SBVBBPLDLIDBNS-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
C=C(C)CCSCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588561642	962773902	/nfs/dbraw/zinc/77/39/02/962773902.db2.gz	RPQNCEWBUZGRMX-UHFFFAOYSA-N	-1	0	281.377	3.212	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC001573325363	962796202	/nfs/dbraw/zinc/79/62/02/962796202.db2.gz	HYSMWSAMXKXSKZ-CQSZACIVSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CC(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21	ZINC001573326425	962803410	/nfs/dbraw/zinc/80/34/10/962803410.db2.gz	VWWBDXUHNHGLLT-QLFBSQMISA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1	ZINC001573333310	962856461	/nfs/dbraw/zinc/85/64/61/962856461.db2.gz	ZQZVPGLXEUEPOX-KGLIPLIRSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CC[C@@H]1CCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC001573353221	962999685	/nfs/dbraw/zinc/99/96/85/962999685.db2.gz	SDCPJTIKIVRSKO-CHWSQXEVSA-N	-1	0	265.740	3.116	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000302411767	963081252	/nfs/dbraw/zinc/08/12/52/963081252.db2.gz	PQLHDLVBDTWUJD-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
C=C[C@H](Sc1ncnc2sc(C)c(C)c21)C(=O)[O-]	ZINC001588715243	963123996	/nfs/dbraw/zinc/12/39/96/963123996.db2.gz	UDPZEAVGTSDOTP-QMMMGPOBSA-N	-1	0	280.374	3.039	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1C1CC1	ZINC001588419244	963272198	/nfs/dbraw/zinc/27/21/98/963272198.db2.gz	ASKVCGOSHMMRTJ-UHFFFAOYSA-N	-1	0	297.362	3.039	20	30		CGEDRM
C=CCC1(CNC(=O)c2cccc(C(=O)[O-])c2)CCCC1	ZINC001588457552	963276978	/nfs/dbraw/zinc/27/69/78/963276978.db2.gz	FEGYAPWOKMOPMD-UHFFFAOYSA-N	-1	0	287.359	3.251	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588530107	963278923	/nfs/dbraw/zinc/27/89/23/963278923.db2.gz	QNXOYGGROGOZIH-UHFFFAOYSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC001588536177	963280152	/nfs/dbraw/zinc/28/01/52/963280152.db2.gz	PTJGNORGFNVKGS-QWRGUYRKSA-N	-1	0	256.342	3.021	20	30		CGEDRM
C=C(C)C[C@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-]	ZINC001588554303	963283086	/nfs/dbraw/zinc/28/30/86/963283086.db2.gz	CPJMFAXDGKBZPI-NSHDSACASA-N	-1	0	297.314	3.207	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)Cc1cccc2ccccc21	ZINC001588612816	963293097	/nfs/dbraw/zinc/29/30/97/963293097.db2.gz	XOOHNPWLZKLVOM-UHFFFAOYSA-N	-1	0	297.354	3.219	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)c2ccc(C(=O)[O-])cn2)c1	ZINC001588605657	963293273	/nfs/dbraw/zinc/29/32/73/963293273.db2.gz	LVNUOSJHMOUPEF-UHFFFAOYSA-N	-1	0	282.299	3.065	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](c1ccccc1)C(C)C	ZINC001588607317	963294926	/nfs/dbraw/zinc/29/49/26/963294926.db2.gz	YZVVOSWHYZYJMP-MRXNPFEDSA-N	-1	0	289.375	3.263	20	30		CGEDRM
C=CC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1ccsc1	ZINC001588673259	963296546	/nfs/dbraw/zinc/29/65/46/963296546.db2.gz	OAXJHJUFWVWWLQ-NSHDSACASA-N	-1	0	268.334	3.019	20	30		CGEDRM
C=CC[C@@H](Sc1ccc(C(=O)OCC)cc1F)C(=O)[O-]	ZINC001588759095	963310456	/nfs/dbraw/zinc/31/04/56/963310456.db2.gz	OXBALPKZZSNUEG-GFCCVEGCSA-N	-1	0	298.335	3.124	20	30		CGEDRM
C=CCC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC001588731608	963310945	/nfs/dbraw/zinc/31/09/45/963310945.db2.gz	LGQMGGTVJNVBRO-ZDUSSCGKSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC001588735473	963312776	/nfs/dbraw/zinc/31/27/76/963312776.db2.gz	AQXDCHYINNPCDY-CYBMUJFWSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588781860	963313743	/nfs/dbraw/zinc/31/37/43/963313743.db2.gz	KBLZTROYZALJSC-NSHDSACASA-N	-1	0	294.376	3.409	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H](C)[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC001588786156	963315118	/nfs/dbraw/zinc/31/51/18/963315118.db2.gz	NBMRZLNDTPCCMQ-AGIUHOORSA-N	-1	0	283.412	3.230	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC001588782380	963317251	/nfs/dbraw/zinc/31/72/51/963317251.db2.gz	DFRNEWWUBALZTR-UHFFFAOYSA-N	-1	0	261.321	3.296	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C(=O)[O-]	ZINC001588787687	963317757	/nfs/dbraw/zinc/31/77/57/963317757.db2.gz	XSLASYNLIWHNIN-RHSMWYFYSA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC001588792836	963317995	/nfs/dbraw/zinc/31/79/95/963317995.db2.gz	OJOPXGLUPGUJHJ-LBPRGKRZSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)OCC1CCCCC1)C(=O)[O-]	ZINC001588794392	963318039	/nfs/dbraw/zinc/31/80/39/963318039.db2.gz	SFPRTQATCQRSPT-CYBMUJFWSA-N	-1	0	283.368	3.102	20	30		CGEDRM
C=CCC1(c2nc(-c3cc(C(=O)[O-])co3)no2)CCC1	ZINC001588771247	963318815	/nfs/dbraw/zinc/31/88/15/963318815.db2.gz	QZFBJARWKZVBKB-UHFFFAOYSA-N	-1	0	274.276	3.026	20	30		CGEDRM
C=CCCCCCN(C)Cc1ncc(C(=O)[O-])s1	ZINC001588799854	963322716	/nfs/dbraw/zinc/32/27/16/963322716.db2.gz	LZHGKMYNGUNIAE-UHFFFAOYSA-N	-1	0	268.382	3.020	20	30		CGEDRM
C=CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1	ZINC001588820792	963323309	/nfs/dbraw/zinc/32/33/09/963323309.db2.gz	SCTNVZSMQYSBEK-UHFFFAOYSA-N	-1	0	299.301	3.357	20	30		CGEDRM
Cc1ccc(N=NC(C)[C@H]2CCCCO2)cc1C(=O)[O-]	ZINC001589016515	963344514	/nfs/dbraw/zinc/34/45/14/963344514.db2.gz	SWMGKTSICLVHAY-CQSZACIVSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC000314785494	963810269	/nfs/dbraw/zinc/81/02/69/963810269.db2.gz	UATYLHTXWKNQKE-UHFFFAOYSA-N	-1	0	298.289	3.093	20	30		CGEDRM
C[C@H](C#N)OCCSCc1cc(C(=O)[O-])ccc1Cl	ZINC001589331687	963981414	/nfs/dbraw/zinc/98/14/14/963981414.db2.gz	LUCUSLOSORFOFR-SECBINFHSA-N	-1	0	299.779	3.200	20	30		CGEDRM
C[C@@H](C#N)OCCSCc1cc(C(=O)[O-])ccc1Cl	ZINC001589331688	963986713	/nfs/dbraw/zinc/98/67/13/963986713.db2.gz	LUCUSLOSORFOFR-VIFPVBQESA-N	-1	0	299.779	3.200	20	30		CGEDRM
C#CCCCCCC(=O)O[C@@H](C(=O)[O-])c1ccsc1	ZINC001588440922	964048038	/nfs/dbraw/zinc/04/80/38/964048038.db2.gz	YRXUISHXDVALMR-CYBMUJFWSA-N	-1	0	280.345	3.001	20	30		CGEDRM
CC[C@@H]1C[C@H](CN=Nc2ccc(C)c(C(=O)[O-])c2)CCO1	ZINC001595407786	980994708	/nfs/dbraw/zinc/99/47/08/980994708.db2.gz	CXOHEMCQIMBDRZ-TZMCWYRMSA-N	-1	0	290.363	3.296	20	30		CGEDRM
CC[C@@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])c(Cl)c1)OC	ZINC001594883476	982253277	/nfs/dbraw/zinc/25/32/77/982253277.db2.gz	RBMHJWGJWZUVCU-RNCFNFMXSA-N	-1	0	298.770	3.497	20	30		CGEDRM
CCCCCCCCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001595704611	982277092	/nfs/dbraw/zinc/27/70/92/982277092.db2.gz	DAWCFIOFAZQHJE-UHFFFAOYSA-N	-1	0	290.363	3.169	20	30		CGEDRM
CCC(N=Nc1ccc(F)c(C(=O)[O-])c1)C1CCOCC1	ZINC001594694121	987105934	/nfs/dbraw/zinc/10/59/34/987105934.db2.gz	NGXIQWQJRYQHPT-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CCc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001597520164	988149511	/nfs/dbraw/zinc/14/95/11/988149511.db2.gz	QDMNBTAZNNAVMG-BQYQJAHWSA-N	-1	0	270.284	3.436	20	30		CGEDRM
CC(C)(CCN=Nc1c(F)cccc1Cl)C(=O)[O-]	ZINC001590653657	990343272	/nfs/dbraw/zinc/34/32/72/990343272.db2.gz	BYHHGSBOIZNWIE-UHFFFAOYSA-N	-1	0	272.707	3.378	20	30		CGEDRM
COCC[C@@H]1CCCC1N=Nc1ccc(C)c(C(=O)[O-])c1	ZINC001599220442	997658193	/nfs/dbraw/zinc/65/81/93/997658193.db2.gz	HCAXOKLYVSMSFE-LBPRGKRZSA-N	-1	0	290.363	3.298	20	30		CGEDRM
COCC(N=Nc1ccc(C)c(C(=O)[O-])c1)C1CCCC1	ZINC001599140974	998128693	/nfs/dbraw/zinc/12/86/93/998128693.db2.gz	HWQKBIFZMDUSOD-UHFFFAOYSA-N	-1	0	290.363	3.298	20	30		CGEDRM
COc1cc(OCCCCC(C)(C)C#N)ccc1C(=O)[O-]	ZINC001599456993	998204647	/nfs/dbraw/zinc/20/46/47/998204647.db2.gz	RNKHFHNHGDYKMY-UHFFFAOYSA-N	-1	0	291.347	3.492	20	30		CGEDRM
COc1ccc(CNN=C(C)CC(C)(C)CC(=O)[O-])cc1	ZINC001599572572	998388605	/nfs/dbraw/zinc/38/86/05/998388605.db2.gz	FDTKEQAUORXLNT-UHFFFAOYSA-N	-1	0	292.379	3.052	20	30		CGEDRM
C[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001594352892	999336731	/nfs/dbraw/zinc/33/67/31/999336731.db2.gz	UGMHPILGZOZPMO-MNOVXSKESA-N	-1	0	273.336	3.032	20	30		CGEDRM
Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1C(=O)[O-]	ZINC000591270369	346913184	/nfs/dbraw/zinc/91/31/84/346913184.db2.gz	BNSLIEFPONUOSD-VXGBXAGGSA-N	-1	0	258.321	3.188	20	30		CGEDRM
CCc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000065046966	345268291	/nfs/dbraw/zinc/26/82/91/345268291.db2.gz	QBXIQRKYWLQBPD-VIFPVBQESA-N	-1	0	297.339	3.337	20	30		CGEDRM
Cc1ncccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000589265707	346792206	/nfs/dbraw/zinc/79/22/06/346792206.db2.gz	NVVHRPWOHGIBSY-UHFFFAOYSA-N	-1	0	298.390	3.094	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCC3)cc1Cl	ZINC000601946507	347928067	/nfs/dbraw/zinc/92/80/67/347928067.db2.gz	AUTOXTBKOWHUDC-LBPRGKRZSA-N	-1	0	287.750	3.495	20	30		CGEDRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1sccc1C#N	ZINC000601984390	347931063	/nfs/dbraw/zinc/93/10/63/347931063.db2.gz	QXHXQARBQYSINU-CQSZACIVSA-N	-1	0	294.376	3.085	20	30		CGEDRM
CC(C)[C@@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601932850	347925505	/nfs/dbraw/zinc/92/55/05/347925505.db2.gz	UQQUJMQAZHODOZ-HIFRSBDPSA-N	-1	0	281.359	3.333	20	30		CGEDRM
Cc1[n-]n(-c2cccc(Cl)c2F)c(=O)c1CCC#N	ZINC000601935174	347925659	/nfs/dbraw/zinc/92/56/59/347925659.db2.gz	QLIJTSLZIZMFNT-VIFPVBQESA-N	-1	0	279.702	3.122	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C	ZINC000604691065	348127508	/nfs/dbraw/zinc/12/75/08/348127508.db2.gz	ZHRGTESFGPSWOW-CYBMUJFWSA-N	-1	0	290.326	3.065	20	30		CGEDRM
C=CCCCN(C)C(=O)c1cccc(Br)c1[O-]	ZINC000605896280	348168194	/nfs/dbraw/zinc/16/81/94/348168194.db2.gz	BUTWEDMWQGSJDP-UHFFFAOYSA-N	-1	0	298.180	3.193	20	30		CGEDRM
Cc1sc(/C=C/c2cc(C#N)cs2)nc1C(=O)[O-]	ZINC000352034793	219297261	/nfs/dbraw/zinc/29/72/61/219297261.db2.gz	HRFZILLGCRNJFN-NSCUHMNNSA-N	-1	0	276.342	3.253	20	30		CGEDRM
CC(=Cc1ccsc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000619095322	349201914	/nfs/dbraw/zinc/20/19/14/349201914.db2.gz	KRCNGJDXCARTDQ-FNORWQNLSA-N	-1	0	291.763	3.225	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NCc1cccc(C#N)c1	ZINC000037087530	137876712	/nfs/dbraw/zinc/87/67/12/137876712.db2.gz	PICMQOJTYCDERH-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000620857842	349429620	/nfs/dbraw/zinc/42/96/20/349429620.db2.gz	LFEZYWDYRHYDHB-UHFFFAOYSA-N	-1	0	269.291	3.145	20	30		CGEDRM
Cc1nocc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000626423482	350304774	/nfs/dbraw/zinc/30/47/74/350304774.db2.gz	YTCXHCBEKVPFPY-VIFPVBQESA-N	-1	0	289.360	3.227	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C(F)F)c2)n1	ZINC000626283057	350291537	/nfs/dbraw/zinc/29/15/37/350291537.db2.gz	AIJZRNGRCGFVQN-MRVPVSSYSA-N	-1	0	282.271	3.472	20	30		CGEDRM
C=CCC1(CNC(=O)[C@](C)(CC)CC(=O)[O-])CCCC1	ZINC000634840637	351594944	/nfs/dbraw/zinc/59/49/44/351594944.db2.gz	QNHYZABXFHLOOD-OAHLLOKOSA-N	-1	0	281.396	3.130	20	30		CGEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Cl)o1	ZINC000122169483	370903636	/nfs/dbraw/zinc/90/36/36/370903636.db2.gz	YEAJIAJKEBKBEV-SECBINFHSA-N	-1	0	299.717	3.310	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1	ZINC000019807238	368767528	/nfs/dbraw/zinc/76/75/28/368767528.db2.gz	AAFOTTQVFHBAKK-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
Cc1ccccc1CC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049502273	369405292	/nfs/dbraw/zinc/40/52/92/369405292.db2.gz	PCROJKZNRPUNLU-UHFFFAOYSA-N	-1	0	295.404	3.157	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000166114590	372563738	/nfs/dbraw/zinc/56/37/38/372563738.db2.gz	URWCTLPNOUOWLB-UHFFFAOYSA-N	-1	0	276.292	3.007	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)co1	ZINC000444460629	373192685	/nfs/dbraw/zinc/19/26/85/373192685.db2.gz	LDLSZVWFCAGDIB-NSHDSACASA-N	-1	0	294.232	3.492	20	30		CGEDRM
C[C@H](C(=O)Nc1ccc(F)cc1O)c1cccc(C#N)c1	ZINC000334399698	374716225	/nfs/dbraw/zinc/71/62/25/374716225.db2.gz	XXWFYHAVBLOUOC-JTQLQIEISA-N	-1	0	284.290	3.145	20	30		CGEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1Cl	ZINC000334483194	374787332	/nfs/dbraw/zinc/78/73/32/374787332.db2.gz	XWJOTOUSQLKGID-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1[O-]	ZINC000188244439	375183116	/nfs/dbraw/zinc/18/31/16/375183116.db2.gz	NKJWJDVVDHGLMM-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[O-]	ZINC000189756217	375444279	/nfs/dbraw/zinc/44/42/79/375444279.db2.gz	FRRSPPRDDXYVOJ-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
Cc1ccc(Cl)cc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000189797195	375447210	/nfs/dbraw/zinc/44/72/10/375447210.db2.gz	SOOSLBDRFSXCOP-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
Cc1ccsc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190912409	375549522	/nfs/dbraw/zinc/54/95/22/375549522.db2.gz	GXZOSXVDBUCQRG-LLVKDONJSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)o1	ZINC000542643085	376563000	/nfs/dbraw/zinc/56/30/00/376563000.db2.gz	LIYCKJKXDKLFRT-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000398018569	542618827	/nfs/dbraw/zinc/61/88/27/542618827.db2.gz	BCKZNXUCHQLFTG-ZDUSSCGKSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C=CC[C@@H](Cc1ccccc1)N=c1[n-]nc(C(F)F)o1	ZINC000413584689	393028038	/nfs/dbraw/zinc/02/80/38/393028038.db2.gz	UAVHLYDOSJOGLK-NSHDSACASA-N	-1	0	279.290	3.028	20	30		CGEDRM
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000037453253	173219027	/nfs/dbraw/zinc/21/90/27/173219027.db2.gz	LXBCUDLTBVNYDO-NSHDSACASA-N	-1	0	286.253	3.098	20	30		CGEDRM
Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000038954929	174160484	/nfs/dbraw/zinc/16/04/84/174160484.db2.gz	JPPHFYVLQWGUHT-RMKNXTFCSA-N	-1	0	254.285	3.302	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000659244208	418965681	/nfs/dbraw/zinc/96/56/81/418965681.db2.gz	XZUGNZNFQIMPPG-UHFFFAOYSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000659166293	418962917	/nfs/dbraw/zinc/96/29/17/418962917.db2.gz	JYKCVLGFPBGIAL-AJNGGQMLSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000659165869	418963108	/nfs/dbraw/zinc/96/31/08/418963108.db2.gz	AVMDTKQIQQUOJO-CHWSQXEVSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CC(=Cc1cc(C)cc(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193614287	270079475	/nfs/dbraw/zinc/07/94/75/270079475.db2.gz	XGUNTQYPXBGHPX-WQLSENKSSA-N	-1	0	279.343	3.127	20	30		CGEDRM
COCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000193277777	329439596	/nfs/dbraw/zinc/43/95/96/329439596.db2.gz	KXUYRRMHUCXPPC-LLVKDONJSA-N	-1	0	296.282	3.057	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000262835705	330034892	/nfs/dbraw/zinc/03/48/92/330034892.db2.gz	CAWQNCVIKCXGKG-RYUDHWBXSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000262835706	330034903	/nfs/dbraw/zinc/03/49/03/330034903.db2.gz	CAWQNCVIKCXGKG-VXGBXAGGSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCC[C@H](NC(=O)C[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262879393	330036087	/nfs/dbraw/zinc/03/60/87/330036087.db2.gz	KJNJAWPUCGJQGS-ZFWWWQNUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCCCCCCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000263405329	330054461	/nfs/dbraw/zinc/05/44/61/330054461.db2.gz	SZUWUOUDILYWGS-MRXNPFEDSA-N	-1	0	296.411	3.019	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccsn2)n1	ZINC000575878026	335127536	/nfs/dbraw/zinc/12/75/36/335127536.db2.gz	MXTQGQGGTABNTD-QMMMGPOBSA-N	-1	0	277.374	3.213	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-]	ZINC000569016955	334851397	/nfs/dbraw/zinc/85/13/97/334851397.db2.gz	DDZAGUJNPVIFPQ-CQSZACIVSA-N	-1	0	289.375	3.133	20	30		CGEDRM
CC(=Cc1ccccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193611372	335978422	/nfs/dbraw/zinc/97/84/22/335978422.db2.gz	IBBRKFKSUSRWOZ-CLFYSBASSA-N	-1	0	285.734	3.164	20	30		CGEDRM
CC(=Cc1ccc(Cl)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193615478	335978651	/nfs/dbraw/zinc/97/86/51/335978651.db2.gz	NOXHKJNDIYUVOK-YFHOEESVSA-N	-1	0	299.761	3.472	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCC1	ZINC000263551867	534592995	/nfs/dbraw/zinc/59/29/95/534592995.db2.gz	WVMQJURJLMYWFU-UHFFFAOYSA-N	-1	0	277.295	3.209	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)nc2)n1	ZINC000353890509	528240087	/nfs/dbraw/zinc/24/00/87/528240087.db2.gz	PFBOQXMEIFPFJA-GFCCVEGCSA-N	-1	0	296.355	3.023	20	30		CGEDRM
CCc1cc(C#N)c([N-]S(=O)(=O)c2cccs2)s1	ZINC000514765908	536097355	/nfs/dbraw/zinc/09/73/55/536097355.db2.gz	SSYXBGLONBTLQD-UHFFFAOYSA-N	-1	0	298.414	3.044	20	30		CGEDRM
CCCC[C@H]1CCCC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000727252063	571734216	/nfs/dbraw/zinc/73/42/16/571734216.db2.gz	PCHYOHRJWUXWRO-NSHDSACASA-N	-1	0	262.357	3.249	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)ccc1O	ZINC000728231219	571797335	/nfs/dbraw/zinc/79/73/35/571797335.db2.gz	KEGIZVZRTFMTMX-GORDUTHDSA-N	-1	0	299.282	3.211	20	30		CGEDRM
COc1cc(F)c(N=Cc2cccc(O)c2O)cc1OC	ZINC000730434077	572353287	/nfs/dbraw/zinc/35/32/87/572353287.db2.gz	DQCNABMVIVFITA-UHFFFAOYSA-N	-1	0	291.278	3.005	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccoc1C(=O)[O-])C2	ZINC000738665289	572385837	/nfs/dbraw/zinc/38/58/37/572385837.db2.gz	JVQYUVIBDYABOL-XYOKQWHBSA-N	-1	0	268.268	3.109	20	30		CGEDRM
N#Cc1ccc([C@@H](Nc2ccc(F)c(F)c2)C(=O)[O-])cc1	ZINC000739110548	572401869	/nfs/dbraw/zinc/40/18/69/572401869.db2.gz	QXIKNBJVKOFICI-CQSZACIVSA-N	-1	0	288.253	3.074	20	30		CGEDRM
N#Cc1ccccc1COC(=O)c1ccccc1NC(=O)[O-]	ZINC000739147735	572402937	/nfs/dbraw/zinc/40/29/37/572402937.db2.gz	ZTGXZMYRXQDRMA-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
Cc1ccc(C)c(N=NC2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000740115747	572433178	/nfs/dbraw/zinc/43/31/78/572433178.db2.gz	LYVKRWGRBWAOIR-GFCCVEGCSA-N	-1	0	275.352	3.139	20	30		CGEDRM
O=C([O-])c1ccc2[nH]cc(C=NNc3ccccc3)c2c1	ZINC000740189290	572435738	/nfs/dbraw/zinc/43/57/38/572435738.db2.gz	IUVKKGZDOWGGLS-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000740323710	572440592	/nfs/dbraw/zinc/44/05/92/572440592.db2.gz	TVJHZRMHXCCDDT-UHFFFAOYSA-N	-1	0	296.286	3.292	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)cc1	ZINC000742435945	572582577	/nfs/dbraw/zinc/58/25/77/572582577.db2.gz	CFRFKHKWGAGERY-BAQGIRSFSA-N	-1	0	294.306	3.311	20	30		CGEDRM
C=CCCCOC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000736102741	572768409	/nfs/dbraw/zinc/76/84/09/572768409.db2.gz	VLJHMGZCDCNAPD-NSHDSACASA-N	-1	0	294.372	3.375	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000748439911	572977216	/nfs/dbraw/zinc/97/72/16/572977216.db2.gz	BBVXPSZEQRECRB-WAYWQWQTSA-N	-1	0	297.335	3.143	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)s1	ZINC000748997121	572987902	/nfs/dbraw/zinc/98/79/02/572987902.db2.gz	FTMUJFSPBCSEKZ-BQYQJAHWSA-N	-1	0	297.335	3.143	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(Cl)nc2)s1	ZINC000749000193	572987938	/nfs/dbraw/zinc/98/79/38/572987938.db2.gz	VBDRORCSULUONX-HNQUOIGGSA-N	-1	0	293.731	3.391	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc(Cl)nc2)c1	ZINC000774136906	598201747	/nfs/dbraw/zinc/20/17/47/598201747.db2.gz	WJXNBNBZUSJHRE-GQCTYLIASA-N	-1	0	287.702	3.329	20	30		CGEDRM
C=CCCC(=O)Nc1ccc(Br)cc1C(=O)[O-]	ZINC000054400129	599807461	/nfs/dbraw/zinc/80/74/61/599807461.db2.gz	CGJKDEAOGQFUMW-UHFFFAOYSA-N	-1	0	298.136	3.052	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000825671515	601126553	/nfs/dbraw/zinc/12/65/53/601126553.db2.gz	RXSKYTWQCFRYLD-UHFFFAOYSA-N	-1	0	267.712	3.333	20	30		CGEDRM
O=C([O-])c1occc1/C=C1\CCc2cc(F)ccc2C1=O	ZINC000833355083	601294548	/nfs/dbraw/zinc/29/45/48/601294548.db2.gz	HUIHOTZDGYPXSJ-JXMROGBWSA-N	-1	0	286.258	3.329	20	30		CGEDRM
CCN(CCC#N)Cc1c2ccccc2sc1C(=O)[O-]	ZINC000042450881	601375993	/nfs/dbraw/zinc/37/59/93/601375993.db2.gz	FTXSPIXJIFZMBM-UHFFFAOYSA-N	-1	0	288.372	3.335	20	30		CGEDRM
C=CCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000825671609	601441654	/nfs/dbraw/zinc/44/16/54/601441654.db2.gz	XAHMXGQDKLWFLX-CYBMUJFWSA-N	-1	0	295.766	3.328	20	30		CGEDRM
O=C([O-])c1ccc(CON=Cc2cccc(F)c2)cc1F	ZINC000833315660	601630276	/nfs/dbraw/zinc/63/02/76/601630276.db2.gz	ZNSJULLMAXAMSY-UHFFFAOYSA-N	-1	0	291.253	3.214	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(CC(=O)[O-])c1cccc(F)c1	ZINC000825660150	602184751	/nfs/dbraw/zinc/18/47/51/602184751.db2.gz	WZQMQZMAWOCOHI-UHFFFAOYSA-N	-1	0	291.322	3.012	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000262064493	602204790	/nfs/dbraw/zinc/20/47/90/602204790.db2.gz	DLHVBZQSWGZPKZ-CABCVRRESA-N	-1	0	293.407	3.295	20	30		CGEDRM
N#Cc1cccc(S[C@@H](C(=O)[O-])c2ccccc2)c1	ZINC000833075257	602290546	/nfs/dbraw/zinc/29/05/46/602290546.db2.gz	OXKQCSZFPFUAJD-CQSZACIVSA-N	-1	0	269.325	3.476	20	30		CGEDRM
O=C([O-])c1ccc(C=CC(=O)c2c[nH]c3ncccc23)cc1	ZINC000761813399	602299602	/nfs/dbraw/zinc/29/96/02/602299602.db2.gz	SQWNTUUYGRJCRP-YVMONPNESA-N	-1	0	292.294	3.157	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2ccccc2Cl)CC1	ZINC000831869522	603856526	/nfs/dbraw/zinc/85/65/26/603856526.db2.gz	PYOOFQXPPLHAJE-UHFFFAOYSA-N	-1	0	281.743	3.128	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2cccc3cnccc32)CC1	ZINC000831869543	603861130	/nfs/dbraw/zinc/86/11/30/603861130.db2.gz	QKDCWTRFQGHPMH-UHFFFAOYSA-N	-1	0	298.346	3.023	20	30		CGEDRM
C=CCCCC(=O)N1CCCN(C(=O)[O-])c2ccccc21	ZINC000823496939	603908581	/nfs/dbraw/zinc/90/85/81/603908581.db2.gz	TZMQGCFPTOTJIB-UHFFFAOYSA-N	-1	0	288.347	3.264	20	30		CGEDRM
C/C(=C\CSc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000833382129	604501791	/nfs/dbraw/zinc/50/17/91/604501791.db2.gz	CDVZUBUHXRLEGZ-XBXARRHUSA-N	-1	0	267.737	3.335	20	30		CGEDRM
Cc1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1C	ZINC000833753729	604546910	/nfs/dbraw/zinc/54/69/10/604546910.db2.gz	XPZSHNKBNQDTFO-UHFFFAOYSA-N	-1	0	281.311	3.452	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(C)c1)OCC	ZINC000833367202	604554057	/nfs/dbraw/zinc/55/40/57/604554057.db2.gz	IXAOUULIZWPDRZ-CQSZACIVSA-N	-1	0	291.347	3.003	20	30		CGEDRM
COCc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000831813265	604629715	/nfs/dbraw/zinc/62/97/15/604629715.db2.gz	WDGFFUBADCIIID-IZZDOVSWSA-N	-1	0	296.322	3.427	20	30		CGEDRM
CC(=NNc1nc2ccccc2[nH]1)c1ccc(C(=O)[O-])cc1	ZINC000825809048	604636096	/nfs/dbraw/zinc/63/60/96/604636096.db2.gz	LAQJVHLBGSGXCY-UHFFFAOYSA-N	-1	0	294.314	3.097	20	30		CGEDRM
C=CCNc1nc(-c2cccc(C(=O)[O-])c2)cs1	ZINC000833375961	604742109	/nfs/dbraw/zinc/74/21/09/604742109.db2.gz	PLZUHGZPLNVEOW-UHFFFAOYSA-N	-1	0	260.318	3.106	20	30		CGEDRM
CC(C)(C#N)CCCN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000167299574	604773031	/nfs/dbraw/zinc/77/30/31/604773031.db2.gz	DNYXGUGAQSKXBF-AWEZNQCLSA-N	-1	0	286.375	3.395	20	30		CGEDRM
O=C([O-])NCc1ccc(NCC#Cc2ccc(F)cc2)cc1	ZINC000833280741	604816359	/nfs/dbraw/zinc/81/63/59/604816359.db2.gz	PSNQQARQNJZDQF-UHFFFAOYSA-N	-1	0	298.317	3.057	20	30		CGEDRM
COc1ccc(C#N)cc1CNc1cc(C(=O)[O-])ccc1C	ZINC000832152728	604984628	/nfs/dbraw/zinc/98/46/28/604984628.db2.gz	LPGMDFURDBJKTH-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
C=CCC[C@H](C)OC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833373678	604991583	/nfs/dbraw/zinc/99/15/83/604991583.db2.gz	XRJSDRAEMQYQFH-LBPRGKRZSA-N	-1	0	276.332	3.215	20	30		CGEDRM
C=CCOc1cccc(N[C@H](CCCC)C(=O)[O-])c1	ZINC000833378982	605005449	/nfs/dbraw/zinc/00/54/49/605005449.db2.gz	SBOLNPHIONKXGL-CQSZACIVSA-N	-1	0	263.337	3.307	20	30		CGEDRM
C#CCCCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-]	ZINC000833362793	605020744	/nfs/dbraw/zinc/02/07/44/605020744.db2.gz	LKPHAHUXVYNUOZ-UHFFFAOYSA-N	-1	0	280.707	3.137	20	30		CGEDRM
C=CCC[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)C1CC1	ZINC000833373287	605118011	/nfs/dbraw/zinc/11/80/11/605118011.db2.gz	JOMILRNNJXKTSH-CQSZACIVSA-N	-1	0	274.316	3.286	20	30		CGEDRM
C#CCCCCC(=O)OCc1ccc(NC(=O)[O-])cc1	ZINC000833362752	605404073	/nfs/dbraw/zinc/40/40/73/605404073.db2.gz	IQUSZUJJQAQCMT-UHFFFAOYSA-N	-1	0	275.304	3.013	20	30		CGEDRM
CC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1ccc(N(C)C)cc1	ZINC000833387222	605594499	/nfs/dbraw/zinc/59/44/99/605594499.db2.gz	VKHIELIPVCMTNG-UHFFFAOYSA-N	-1	0	297.358	3.287	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1F	ZINC000833387076	605594983	/nfs/dbraw/zinc/59/49/83/605594983.db2.gz	MWQPDWYSMIWHLR-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C	ZINC000826820353	605739671	/nfs/dbraw/zinc/73/96/71/605739671.db2.gz	LULQCKUCRBMYFS-ZIAGYGMSSA-N	-1	0	298.427	3.384	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)CCCc1ccc(O)c(F)c1	ZINC000890552015	617636213	/nfs/dbraw/zinc/63/62/13/617636213.db2.gz	JJTYBOQWDYXPAY-CYBMUJFWSA-N	-1	0	277.339	3.031	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@@H]2c2ccccc2)c1	ZINC000120836213	617813994	/nfs/dbraw/zinc/81/39/94/617813994.db2.gz	NEZUESWWBRAETR-SBSYXSKNSA-N	-1	0	282.299	3.275	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]OC1CCC1)c1ccccc1	ZINC000812787574	617853792	/nfs/dbraw/zinc/85/37/92/617853792.db2.gz	YHOKPBJSHAKRFG-HNNXBMFYSA-N	-1	0	259.349	3.337	20	30		CGEDRM
C#CCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1[O-]	ZINC000804834906	617863167	/nfs/dbraw/zinc/86/31/67/617863167.db2.gz	RYJRNTGFEMLKGE-UHFFFAOYSA-N	-1	0	299.757	3.321	20	30		CGEDRM
CO[C@@H](C)CCC(=O)N(O)Cc1cccc2ccccc21	ZINC000900093988	620761176	/nfs/dbraw/zinc/76/11/76/620761176.db2.gz	FCMBDFBNVLBAOI-ZDUSSCGKSA-N	-1	0	287.359	3.373	20	30		CGEDRM
CN1CCc2cc(/C=C\C(=O)c3ccc([O-])c(F)c3)ccc21	ZINC000255068449	617904398	/nfs/dbraw/zinc/90/43/98/617904398.db2.gz	JAARUQKXNGGHSF-UTCJRWHESA-N	-1	0	297.329	3.420	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000042317511	620765622	/nfs/dbraw/zinc/76/56/22/620765622.db2.gz	MMOGKWKDCPPJQX-UHFFFAOYSA-N	-1	0	275.395	3.282	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(F)ccc2F)c1	ZINC000255205022	618075783	/nfs/dbraw/zinc/07/57/83/618075783.db2.gz	MCPJICZNGLSXLD-UHFFFAOYSA-N	-1	0	278.214	3.329	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Sc1ccccc1Cl	ZINC000846549863	618094036	/nfs/dbraw/zinc/09/40/36/618094036.db2.gz	LSWTWVKPGCMOPH-UWVGGRQHSA-N	-1	0	285.796	3.443	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccnc2Cl)c([O-])c1	ZINC000255491307	618592065	/nfs/dbraw/zinc/59/20/65/618592065.db2.gz	BWRVPMPGSSHRRT-DAXSKMNVSA-N	-1	0	289.718	3.345	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2ccccc2[O-])cn1	ZINC000255506722	618620694	/nfs/dbraw/zinc/62/06/94/618620694.db2.gz	CAZINXRJSSWBFJ-FPLPWBNLSA-N	-1	0	256.305	3.066	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CCCc2cccs2)c1	ZINC000176825028	618742371	/nfs/dbraw/zinc/74/23/71/618742371.db2.gz	QMVMUSVVXDXWSF-UHFFFAOYSA-N	-1	0	286.356	3.287	20	30		CGEDRM
Cc1ccsc1/C=C\C(=O)c1cc(O)ccc1O	ZINC000255663315	618773668	/nfs/dbraw/zinc/77/36/68/618773668.db2.gz	PRYHRURLPACQGO-PLNGDYQASA-N	-1	0	260.314	3.364	20	30		CGEDRM
Oc1ccc(Cl)cc1/C=N\C[C@H](O)c1ccccc1	ZINC000255662659	618773910	/nfs/dbraw/zinc/77/39/10/618773910.db2.gz	ROKCGGMFPWXPIE-MBBOSUJBSA-N	-1	0	275.735	3.198	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1F	ZINC000255772445	618790849	/nfs/dbraw/zinc/79/08/49/618790849.db2.gz	MRGBKRFLARRKGB-VURMDHGXSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CCCCc1ccc(C(=O)[N-]S(=O)(=O)CCCC)cc1	ZINC000048505828	619501490	/nfs/dbraw/zinc/50/14/90/619501490.db2.gz	GTOVMFQFQPTCIU-UHFFFAOYSA-N	-1	0	297.420	3.464	20	30		CGEDRM
CC(F)(F)CCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840706782	620085720	/nfs/dbraw/zinc/08/57/20/620085720.db2.gz	JXOOGUALJIGUFU-OVCLIPMQSA-N	-1	0	272.251	3.155	20	30		CGEDRM
CC(F)(F)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707440	620089460	/nfs/dbraw/zinc/08/94/60/620089460.db2.gz	VAJOYPDNSKDZLR-CPSFFCFKSA-N	-1	0	278.642	3.028	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000909627285	620214819	/nfs/dbraw/zinc/21/48/19/620214819.db2.gz	RPMDZZHZCTWDRJ-UHFFFAOYSA-N	-1	0	291.347	3.072	20	30		CGEDRM
CC1(C)CC2(CC(N=Nc3cccc(C(=O)[O-])c3)C2)CO1	ZINC000901123047	620834089	/nfs/dbraw/zinc/83/40/89/620834089.db2.gz	JRXHIEPABRLGTH-UHFFFAOYSA-N	-1	0	288.347	3.132	20	30		CGEDRM
C#Cc1cccc(N[C@H]2CCC[C@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901452691	620885894	/nfs/dbraw/zinc/88/58/94/620885894.db2.gz	ZJVDEGTXTCTJLZ-JSGCOSHPSA-N	-1	0	293.313	3.359	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1cc2cc(C)c(C)cc2o1	ZINC000901585300	620948361	/nfs/dbraw/zinc/94/83/61/620948361.db2.gz	DAKIVHRSALKUNO-UHFFFAOYSA-N	-1	0	273.332	3.122	20	30		CGEDRM
C=CCC[C@@H](N[C@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901690776	620990457	/nfs/dbraw/zinc/99/04/57/620990457.db2.gz	QPIGYEDYTLZJME-ZIAGYGMSSA-N	-1	0	297.345	3.262	20	30		CGEDRM
C=CC[C@@H](C)[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC000905750065	622099972	/nfs/dbraw/zinc/09/99/72/622099972.db2.gz	CZWSCNXYLPLUSH-NEPJUHHUSA-N	-1	0	287.363	3.134	20	30		CGEDRM
C=CC1(CC(=O)N[C@@](C)(CC)CC(=O)[O-])CCCCC1	ZINC000907579571	622302419	/nfs/dbraw/zinc/30/24/19/622302419.db2.gz	QUJSKKCXHDQYLW-HNNXBMFYSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000907598100	622303323	/nfs/dbraw/zinc/30/33/23/622303323.db2.gz	YUXKSLQLOOLEJL-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C(=O)[O-]	ZINC000907742704	622308844	/nfs/dbraw/zinc/30/88/44/622308844.db2.gz	AYXCGUYAOAMCNX-LBPRGKRZSA-N	-1	0	293.363	3.035	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1	ZINC000907750992	622310463	/nfs/dbraw/zinc/31/04/63/622310463.db2.gz	VMOJMCATQFSGTP-HIFRSBDPSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000908187407	622332829	/nfs/dbraw/zinc/33/28/29/622332829.db2.gz	BNCKCJOMBZKCRR-SDBXPKJASA-N	-1	0	299.729	3.104	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000910914498	622508659	/nfs/dbraw/zinc/50/86/59/622508659.db2.gz	LDMMPVYYFGHXAI-AWEZNQCLSA-N	-1	0	289.375	3.151	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cccc(F)c1Cl)C(=O)[O-]	ZINC000910915021	622508723	/nfs/dbraw/zinc/50/87/23/622508723.db2.gz	SFBQXRGSLMNCSE-LLVKDONJSA-N	-1	0	299.729	3.018	20	30		CGEDRM
O=C(/C=C/c1nccn1CC(F)(F)F)c1ccccc1[O-]	ZINC000156605639	622827383	/nfs/dbraw/zinc/82/73/83/622827383.db2.gz	QZWCFQXUSAPPGP-AATRIKPKSA-N	-1	0	296.248	3.047	20	30		CGEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2cccc(C#N)c2)c1	ZINC000156701701	622837198	/nfs/dbraw/zinc/83/71/98/622837198.db2.gz	WXLRNCSUZLTGRQ-SOFGYWHQSA-N	-1	0	263.296	3.468	20	30		CGEDRM
O=C(/C=C/c1cccnc1Cl)c1ccc(F)cc1[O-]	ZINC000156720050	622841413	/nfs/dbraw/zinc/84/14/13/622841413.db2.gz	KZHPBFVSILKRSN-ZZXKWVIFSA-N	-1	0	277.682	3.476	20	30		CGEDRM
CCCCCCCCCNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000914848160	623866695	/nfs/dbraw/zinc/86/66/95/623866695.db2.gz	XJVJGMNWNLYKJG-UHFFFAOYSA-N	-1	0	292.379	3.260	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1	ZINC000915106839	623895864	/nfs/dbraw/zinc/89/58/64/623895864.db2.gz	VUWMVGDYPCXRMX-BJMVGYQFSA-N	-1	0	284.286	3.349	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1	ZINC000915106137	623895932	/nfs/dbraw/zinc/89/59/32/623895932.db2.gz	LCXQLBSJWHLHGP-TWGQIWQCSA-N	-1	0	284.286	3.349	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000764443209	623902918	/nfs/dbraw/zinc/90/29/18/623902918.db2.gz	VFFANCWLQMQYTG-SNAWJCMRSA-N	-1	0	278.304	3.498	20	30		CGEDRM
O=C([O-])c1ccccc1C=NNc1cccc2ncccc21	ZINC000915963586	624091999	/nfs/dbraw/zinc/09/19/99/624091999.db2.gz	GLUHUNGDTHUXFB-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
O=[N+]([O-])c1cc(C=NNc2ccccc2Cl)ccc1[O-]	ZINC000916262386	624131496	/nfs/dbraw/zinc/13/14/96/624131496.db2.gz	KAYILQMIGDQGLV-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(CC)cc1	ZINC000917556078	624287915	/nfs/dbraw/zinc/28/79/15/624287915.db2.gz	SNFUSVRZCAIGDO-UHFFFAOYSA-N	-1	0	294.362	3.142	20	30		CGEDRM
Cc1cc(NC(=O)C2(C#N)CCCCC2)cc(C(=O)[O-])c1	ZINC000923106015	626131450	/nfs/dbraw/zinc/13/14/50/626131450.db2.gz	IPODDUFBFBVNGL-UHFFFAOYSA-N	-1	0	286.331	3.106	20	30		CGEDRM
O=C(C=Cc1ccc(Cl)nc1)c1sccc1[O-]	ZINC000756623598	626721361	/nfs/dbraw/zinc/72/13/61/626721361.db2.gz	UKEDFYCRRQBTIH-IWQZZHSRSA-N	-1	0	265.721	3.398	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000757467893	626780887	/nfs/dbraw/zinc/78/08/87/626780887.db2.gz	MZYRCIZBIWHISP-QPJJXVBHSA-N	-1	0	299.282	3.211	20	30		CGEDRM
Cc1noc(C)c1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000757476871	626782382	/nfs/dbraw/zinc/78/23/82/626782382.db2.gz	VIBJVDYEKYAKPU-ONEGZZNKSA-N	-1	0	279.242	3.171	20	30		CGEDRM
O=C(/C=C/c1nc(Cl)cs1)c1ccc(O)cc1[O-]	ZINC000759085232	626873440	/nfs/dbraw/zinc/87/34/40/626873440.db2.gz	UCQQHFPDTIKYDF-ONEGZZNKSA-N	-1	0	281.720	3.104	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc(Cl)cs2)nc(C)n1	ZINC000759429530	626897378	/nfs/dbraw/zinc/89/73/78/626897378.db2.gz	MHBZSCGWWSBDGD-SNVBAGLBSA-N	-1	0	291.763	3.298	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCC(F)(F)CC2)c1	ZINC000761183391	627022692	/nfs/dbraw/zinc/02/26/92/627022692.db2.gz	ZWISYFBQPMARJF-PXNMLYILSA-N	-1	0	284.262	3.297	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H](C3CC3)C2)nc1	ZINC000763367912	627154298	/nfs/dbraw/zinc/15/42/98/627154298.db2.gz	HNIRCKYMRKUKBR-NSHDSACASA-N	-1	0	273.336	3.148	20	30		CGEDRM
C#CCN(C(=O)c1cc(Cl)c2ccccc2c1[O-])C1CC1	ZINC000764446014	627207807	/nfs/dbraw/zinc/20/78/07/627207807.db2.gz	DKKPXXUDPGOFHE-UHFFFAOYSA-N	-1	0	299.757	3.437	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1	ZINC000765823733	627273475	/nfs/dbraw/zinc/27/34/75/627273475.db2.gz	HVRYAACEQSNLPN-VOTSOKGWSA-N	-1	0	288.324	3.351	20	30		CGEDRM
C[C@@H](Oc1cccc(/C=C\C(=O)c2ccco2)c1)C(=O)[O-]	ZINC000769769854	627576719	/nfs/dbraw/zinc/57/67/19/627576719.db2.gz	DCKXNVKUDBYXJF-SKVAFPRGSA-N	-1	0	286.283	3.028	20	30		CGEDRM
C[C@H](Oc1cccc(/C=C\C(=O)c2ccco2)c1)C(=O)[O-]	ZINC000769769856	627577070	/nfs/dbraw/zinc/57/70/70/627577070.db2.gz	DCKXNVKUDBYXJF-TVRMLOFPSA-N	-1	0	286.283	3.028	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NNCC(F)(F)F	ZINC000769813606	627580401	/nfs/dbraw/zinc/58/04/01/627580401.db2.gz	HVOBUQIYRHHOOM-UHFFFAOYSA-N	-1	0	287.068	3.185	20	30		CGEDRM
C=CCCCCNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000771556876	627719295	/nfs/dbraw/zinc/71/92/95/627719295.db2.gz	VUWXRSKMUCRGCY-UHFFFAOYSA-N	-1	0	276.361	3.203	20	30		CGEDRM
N#Cc1ccc(C=CC(=O)c2sccc2[O-])c(F)c1	ZINC000773142766	627861831	/nfs/dbraw/zinc/86/18/31/627861831.db2.gz	FHCLYPLHEODEBO-ARJAWSKDSA-N	-1	0	273.288	3.361	20	30		CGEDRM
O=C1c2ccc(F)cc2O/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000773174784	627865507	/nfs/dbraw/zinc/86/55/07/627865507.db2.gz	XKJQPAVYNJRSAQ-WLRTZDKTSA-N	-1	0	292.212	3.426	20	30		CGEDRM
CC(=NNc1cc(C)ccn1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776778955	628231983	/nfs/dbraw/zinc/23/19/83/628231983.db2.gz	YXUAQXSQVSQSPW-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
CC(=NOC1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000777460006	628273830	/nfs/dbraw/zinc/27/38/30/628273830.db2.gz	ULAUBIURRYFRBK-UHFFFAOYSA-N	-1	0	278.308	3.374	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NNc1ccnc(F)c1	ZINC000781125021	628538415	/nfs/dbraw/zinc/53/84/15/628538415.db2.gz	PWHWYBTXVYBFPK-UHFFFAOYSA-N	-1	0	283.665	3.165	20	30		CGEDRM
CC1(C)CC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000782025000	628610710	/nfs/dbraw/zinc/61/07/10/628610710.db2.gz	UAFQSAZUIARSSI-LLVKDONJSA-N	-1	0	258.321	3.029	20	30		CGEDRM
CC1(C)CC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000782025002	628610927	/nfs/dbraw/zinc/61/09/27/628610927.db2.gz	UAFQSAZUIARSSI-NSHDSACASA-N	-1	0	258.321	3.029	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CCCc2ccsc2)c1	ZINC000783593444	628730579	/nfs/dbraw/zinc/73/05/79/628730579.db2.gz	SWSQRVYPYHFCKW-UHFFFAOYSA-N	-1	0	286.356	3.287	20	30		CGEDRM
O=C([O-])c1cc(N=NCCC[C@@H]2CCOC2)ccc1Cl	ZINC000786038371	628909423	/nfs/dbraw/zinc/90/94/23/628909423.db2.gz	UGZPTBUBSUAKNU-SNVBAGLBSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CCCCCCCCC[C@@H](C)CC(=O)[N-]S(C)(=O)=O	ZINC000786265416	628921416	/nfs/dbraw/zinc/92/14/16/628921416.db2.gz	YBUHAJSPTKPLRR-CYBMUJFWSA-N	-1	0	291.457	3.229	20	30		CGEDRM
Cc1cc2n[nH]cc2cc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000790100401	629183834	/nfs/dbraw/zinc/18/38/34/629183834.db2.gz	SNGOPSZXXAPEAM-UHFFFAOYSA-N	-1	0	296.286	3.236	20	30		CGEDRM
C#C[C@H](CCC)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790098021	629183961	/nfs/dbraw/zinc/18/39/61/629183961.db2.gz	DHBHYPXJIXTFCQ-SHLUWWQESA-N	-1	0	280.711	3.175	20	30		CGEDRM
CC[C@@H](NN=C(C)c1cc2cc(Cl)ccc2o1)C(=O)[O-]	ZINC000793056487	629406223	/nfs/dbraw/zinc/40/62/23/629406223.db2.gz	UCKWBUZZWWSXOR-LLVKDONJSA-N	-1	0	294.738	3.263	20	30		CGEDRM
CC[C@H](NN=CC[C@H](C)CCC=C(C)C)C(=O)[O-]	ZINC000793058580	629406495	/nfs/dbraw/zinc/40/64/95/629406495.db2.gz	WADATFDSQPWAFO-OLZOCXBDSA-N	-1	0	254.374	3.198	20	30		CGEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000793077854	629407787	/nfs/dbraw/zinc/40/77/87/629407787.db2.gz	IUBPWCVJHJCUTG-ZZTKBFGJSA-N	-1	0	292.423	3.422	20	30		CGEDRM
CC[C@H](NN=C1C[C@@H](c2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793074002	629408059	/nfs/dbraw/zinc/40/80/59/629408059.db2.gz	ZCBMQAZPQPRVQB-STQMWFEESA-N	-1	0	274.364	3.009	20	30		CGEDRM
CCC(=NN[C@H](CC)C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000793077852	629408104	/nfs/dbraw/zinc/40/81/04/629408104.db2.gz	IUBPWCVJHJCUTG-DLUQRMLASA-N	-1	0	292.423	3.422	20	30		CGEDRM
CC[C@H](NN=C(C)[C@@H](C)C1CCCCC1)C(=O)[O-]	ZINC000793081364	629408713	/nfs/dbraw/zinc/40/87/13/629408713.db2.gz	KINRLLCTOMLBDQ-MFKMUULPSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CCCCCCCCCCn1[n-]c(SC)nc1=O	ZINC000794441143	629543033	/nfs/dbraw/zinc/54/30/33/629543033.db2.gz	PGTKJXKISKRTLB-UHFFFAOYSA-N	-1	0	271.430	3.434	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cccnc1	ZINC000794926688	629600628	/nfs/dbraw/zinc/60/06/28/629600628.db2.gz	MENCBAGGEZQDIY-AATRIKPKSA-N	-1	0	281.311	3.293	20	30		CGEDRM
O=C(/C=C\c1c(F)ccc(O)c1F)c1cc(F)ccc1[O-]	ZINC000794941019	629603069	/nfs/dbraw/zinc/60/30/69/629603069.db2.gz	IOPWQXJINTXCPL-DJWKRKHSSA-N	-1	0	294.228	3.411	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000794941713	629604186	/nfs/dbraw/zinc/60/41/86/629604186.db2.gz	WCOZWLNBKSLWLV-BQYQJAHWSA-N	-1	0	256.305	3.066	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc(Cl)o2)c1	ZINC000864340069	629814308	/nfs/dbraw/zinc/81/43/08/629814308.db2.gz	OHSAAFQXLSGSLA-UHFFFAOYSA-N	-1	0	264.668	3.077	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1ccc2ccccc2n1	ZINC000796713354	629818522	/nfs/dbraw/zinc/81/85/22/629818522.db2.gz	HVDMJQFRJKASEJ-ZDUSSCGKSA-N	-1	0	287.278	3.190	20	30		CGEDRM
CCCCCCCS(=O)(=O)Nc1[nH]nc(C2CC2)c1C	ZINC000799641311	630206463	/nfs/dbraw/zinc/20/64/63/630206463.db2.gz	DUWSNAFTHDDCJG-UHFFFAOYSA-N	-1	0	299.440	3.308	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])oc1C	ZINC000799896203	630240988	/nfs/dbraw/zinc/24/09/88/630240988.db2.gz	HFWYSUQMEFTNEA-ZZXKWVIFSA-N	-1	0	287.271	3.406	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)nn1	ZINC000806572475	630567968	/nfs/dbraw/zinc/56/79/68/630567968.db2.gz	GUGGIUDHHSNARK-XQRVVYSFSA-N	-1	0	291.738	3.114	20	30		CGEDRM
O=C1c2ccc([O-])c(F)c2C/C1=C\c1cccc(O)c1	ZINC000806575203	630568699	/nfs/dbraw/zinc/56/86/99/630568699.db2.gz	TXARCZGKFRTIIW-UXBLZVDNSA-N	-1	0	270.259	3.059	20	30		CGEDRM
CC(C)(O)c1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000807938519	630607949	/nfs/dbraw/zinc/60/79/49/630607949.db2.gz	DSWGIHTZECMKNT-UHFFFAOYSA-N	-1	0	298.342	3.058	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1C	ZINC000814689888	631623773	/nfs/dbraw/zinc/62/37/73/631623773.db2.gz	KAOFGRSMGITTEE-SFYZADRCSA-N	-1	0	266.728	3.482	20	30		CGEDRM
O=C([O-])C1CC(=NN=C2c3ccccc3-c3ccccc32)C1	ZINC000814778840	631638110	/nfs/dbraw/zinc/63/81/10/631638110.db2.gz	AMLLOWVLVXDDOP-UHFFFAOYSA-N	-1	0	290.322	3.355	20	30		CGEDRM
CCON=C(CC)c1ccc(OCCCCC(=O)[O-])cc1	ZINC000814788459	631639553	/nfs/dbraw/zinc/63/95/53/631639553.db2.gz	VHLFRGAFTZITHS-UHFFFAOYSA-N	-1	0	293.363	3.471	20	30		CGEDRM
Cc1cc(F)ccc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814884933	631664752	/nfs/dbraw/zinc/66/47/52/631664752.db2.gz	FBZBWWPTQZRVED-WDEREUQCSA-N	-1	0	278.327	3.423	20	30		CGEDRM
COc1ccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)cc1	ZINC000814885295	631664759	/nfs/dbraw/zinc/66/47/59/631664759.db2.gz	VKXMKGGKNNHEIP-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
COc1cccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])n1	ZINC000814900236	631670802	/nfs/dbraw/zinc/67/08/02/631670802.db2.gz	JTQMLODXDOSNCT-LLVKDONJSA-N	-1	0	293.367	3.159	20	30		CGEDRM
CCC(CC)CNN=C(C)CC1(C(=O)[O-])CCC1	ZINC000814906435	631674489	/nfs/dbraw/zinc/67/44/89/631674489.db2.gz	VDCDRBJNKQIBSV-UHFFFAOYSA-N	-1	0	254.374	3.033	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814923980	631683832	/nfs/dbraw/zinc/68/38/32/631683832.db2.gz	SKWHFEZFCBQJEK-VXGBXAGGSA-N	-1	0	291.347	3.089	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814923978	631684004	/nfs/dbraw/zinc/68/40/04/631684004.db2.gz	SKWHFEZFCBQJEK-RYUDHWBXSA-N	-1	0	291.347	3.089	20	30		CGEDRM
C[C@H](NN=Cc1cccc(C(=O)[O-])c1Cl)C(C)(C)C	ZINC000814937699	631691912	/nfs/dbraw/zinc/69/19/12/631691912.db2.gz	BHGFDORKFXKIOR-VIFPVBQESA-N	-1	0	282.771	3.396	20	30		CGEDRM
CCCCC/C(C=NNCC(=O)[O-])=C\c1ccccc1	ZINC000814959912	631697775	/nfs/dbraw/zinc/69/77/75/631697775.db2.gz	CWYZUIAUTUSHFG-IDLBBRRGSA-N	-1	0	274.364	3.310	20	30		CGEDRM
N#CCCC[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000817318876	632120418	/nfs/dbraw/zinc/12/04/18/632120418.db2.gz	IADOQGDHWWEEGG-NSHDSACASA-N	-1	0	270.254	3.100	20	30		CGEDRM
CCN(C(=O)c1cc(Cl)cc(Cl)c1[O-])[C@@H](C)C#N	ZINC000825634075	633369053	/nfs/dbraw/zinc/36/90/53/633369053.db2.gz	DHMICIZZBDWGIC-ZETCQYMHSA-N	-1	0	287.146	3.073	20	30		CGEDRM
C=CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)C(C)C	ZINC000826074650	633403065	/nfs/dbraw/zinc/40/30/65/633403065.db2.gz	FAEGUZTYZIMLGP-UHFFFAOYSA-N	-1	0	276.361	3.153	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830328729	633851126	/nfs/dbraw/zinc/85/11/26/633851126.db2.gz	UBYBQSWSXMJUNY-OAHLLOKOSA-N	-1	0	279.311	3.275	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830331984	633851499	/nfs/dbraw/zinc/85/14/99/633851499.db2.gz	MFYCYDTYQQPKMM-UHFFFAOYSA-N	-1	0	292.310	3.002	20	30		CGEDRM
C=C1CCC(CNC(=O)c2cc(=O)c3ccccc3[nH]2)CC1	ZINC000831005976	633910392	/nfs/dbraw/zinc/91/03/92/633910392.db2.gz	HWWGXXMOKKYVIS-UHFFFAOYSA-N	-1	0	296.370	3.004	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CC2(C#N)CCCCC2)c1	ZINC000831271284	633935426	/nfs/dbraw/zinc/93/54/26/633935426.db2.gz	DKNGZTZDGQDCTJ-UHFFFAOYSA-N	-1	0	283.331	3.067	20	30		CGEDRM
C#CCCCCCCN=Nc1ccc(C(=O)[O-])cc1	ZINC000834913336	634285686	/nfs/dbraw/zinc/28/56/86/634285686.db2.gz	XOSDHRIGEALGIM-UHFFFAOYSA-N	-1	0	258.321	3.366	20	30		CGEDRM
CCC(=NNC1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)[O-]	ZINC000834981185	634302904	/nfs/dbraw/zinc/30/29/04/634302904.db2.gz	JOMMZOKAPBOUAV-FZMZJTMJSA-N	-1	0	294.782	3.416	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])nc1	ZINC000835006965	634311478	/nfs/dbraw/zinc/31/14/78/634311478.db2.gz	MXKHHDIBNOTRBI-MNOVXSKESA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(C)[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006298	634311505	/nfs/dbraw/zinc/31/15/05/634311505.db2.gz	CMKKOKKIGDBMIC-NSHDSACASA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC[C@H]1C[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010267	634314431	/nfs/dbraw/zinc/31/44/31/634314431.db2.gz	VQQGQTJNHFVYOV-JQWIXIFHSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009886	634314602	/nfs/dbraw/zinc/31/46/02/634314602.db2.gz	GYICOJHUVNDPOV-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc(C2CC2)cs1	ZINC000842941693	635521460	/nfs/dbraw/zinc/52/14/60/635521460.db2.gz	SQFXZUCNQUFJBK-ZXCPCRMDSA-N	-1	0	258.346	3.163	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc(C2CC2)cs1	ZINC000842941879	635521944	/nfs/dbraw/zinc/52/19/44/635521944.db2.gz	UACSICGTZLUVBE-YIALFULDSA-N	-1	0	295.367	3.305	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000127569917	635723771	/nfs/dbraw/zinc/72/37/71/635723771.db2.gz	IYIVDZAEXPTWKS-JTMRULEUSA-N	-1	0	280.327	3.334	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nc1	ZINC000127609932	635740392	/nfs/dbraw/zinc/74/03/92/635740392.db2.gz	DRBIJKFNLKBLFS-NSHDSACASA-N	-1	0	285.372	3.460	20	30		CGEDRM
CCCn1cccc1C=NNc1cccc(C(=O)[O-])c1C	ZINC000844624997	635946311	/nfs/dbraw/zinc/94/63/11/635946311.db2.gz	VBDREKJKLXMSBF-UHFFFAOYSA-N	-1	0	285.347	3.351	20	30		CGEDRM
CO[C@@]1(C)CC(N=Nc2cccc(C(=O)[O-])c2C)C1(C)C	ZINC000844625219	635946448	/nfs/dbraw/zinc/94/64/48/635946448.db2.gz	WJOPCUXFQJSTPD-INIZCTEOSA-N	-1	0	290.363	3.296	20	30		CGEDRM
C#CCCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835220	636105591	/nfs/dbraw/zinc/10/55/91/636105591.db2.gz	XLPUZSWLOHDQOZ-CYBMUJFWSA-N	-1	0	299.395	3.322	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000846541200	636196080	/nfs/dbraw/zinc/19/60/80/636196080.db2.gz	DZPBDUKJMQVPKY-ZJUUUORDSA-N	-1	0	285.796	3.443	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1C	ZINC000846540912	636196357	/nfs/dbraw/zinc/19/63/57/636196357.db2.gz	BNGMDNQZMKUPRA-WDEREUQCSA-N	-1	0	283.755	3.038	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccccc1[C@@H](C)CC	ZINC000846544602	636197435	/nfs/dbraw/zinc/19/74/35/636197435.db2.gz	REVRQHRHGJEWQH-STQMWFEESA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC(C)C)c1ccccc1	ZINC000846547951	636199383	/nfs/dbraw/zinc/19/93/83/636199383.db2.gz	RHBLHFUIRFGXSH-HIFRSBDPSA-N	-1	0	261.365	3.439	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(F)cc2F)CCC1	ZINC000846550415	636199823	/nfs/dbraw/zinc/19/98/23/636199823.db2.gz	RYTCTTRFGNADTM-SNVBAGLBSA-N	-1	0	281.302	3.009	20	30		CGEDRM
CCCCCCCCC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000846713128	636220255	/nfs/dbraw/zinc/22/02/55/636220255.db2.gz	WQCWLERUWNYYER-STQMWFEESA-N	-1	0	269.385	3.201	20	30		CGEDRM
COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000129511059	636289536	/nfs/dbraw/zinc/28/95/36/636289536.db2.gz	QLJKEXWDLVPUHK-SOFGYWHQSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(C2CC2)c1	ZINC000847622963	636404352	/nfs/dbraw/zinc/40/43/52/636404352.db2.gz	VTECKAHFIAPOQN-MRXNPFEDSA-N	-1	0	298.386	3.193	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000136517326	637388948	/nfs/dbraw/zinc/38/89/48/637388948.db2.gz	JEVGQMIONSAVMP-XBXARRHUSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CCCCCCCC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000851610539	637459907	/nfs/dbraw/zinc/45/99/07/637459907.db2.gz	VTVCEXSMGFBYKG-MRXNPFEDSA-N	-1	0	299.386	3.152	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000853325219	637810196	/nfs/dbraw/zinc/81/01/96/637810196.db2.gz	IXZWMMBOTWTWPR-WZRBSPASSA-N	-1	0	288.347	3.227	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCC23CC3)c(F)c1	ZINC000853354629	637823476	/nfs/dbraw/zinc/82/34/76/637823476.db2.gz	PUUHTVFZYASCNR-UHFFFAOYSA-N	-1	0	262.284	3.256	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1	ZINC000853370503	637826427	/nfs/dbraw/zinc/82/64/27/637826427.db2.gz	OVLXVPPRKOFJGZ-HZSPNIEDSA-N	-1	0	272.348	3.148	20	30		CGEDRM
CCOC1CCC(N=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000853370498	637826805	/nfs/dbraw/zinc/82/68/05/637826805.db2.gz	OOFJTYKQFVNZCA-UHFFFAOYSA-N	-1	0	290.363	3.440	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1cccc(C(=O)[O-])c1Cl	ZINC000853381488	637831051	/nfs/dbraw/zinc/83/10/51/637831051.db2.gz	DOSOUYDORJEGOX-SNVBAGLBSA-N	-1	0	280.755	3.247	20	30		CGEDRM
C[C@@H]1CCCCN1N=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000853381947	637831678	/nfs/dbraw/zinc/83/16/78/637831678.db2.gz	PCWYJGDKDRTBDZ-DOMZBBRYSA-N	-1	0	286.375	3.227	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000078701578	640333345	/nfs/dbraw/zinc/33/33/45/640333345.db2.gz	JFIUDYBAIPGVRN-UHFFFAOYSA-N	-1	0	291.731	3.091	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2cc(F)ccc2[O-])c1	ZINC000084652663	640609353	/nfs/dbraw/zinc/60/93/53/640609353.db2.gz	BDYRMSHVHBLRSX-FNORWQNLSA-N	-1	0	272.275	3.436	20	30		CGEDRM
N#CC1CCN(Cc2cc([O-])c(Cl)c(F)c2F)CC1	ZINC001250386870	805596528	/nfs/dbraw/zinc/59/65/28/805596528.db2.gz	BUHOSTUQXKBRBP-UHFFFAOYSA-N	-1	0	286.709	3.059	20	30		CGEDRM
N#C[C@H]1CCCCN1Cc1cc([O-])c(Cl)c(F)c1F	ZINC001250409214	805599941	/nfs/dbraw/zinc/59/99/41/805599941.db2.gz	SMERWNNHSQETKO-SECBINFHSA-N	-1	0	286.709	3.202	20	30		CGEDRM
N#Cc1ccccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001250581168	805705720	/nfs/dbraw/zinc/70/57/20/805705720.db2.gz	QYODZVQPWYNOQX-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1ccccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001250582715	805707071	/nfs/dbraw/zinc/70/70/71/805707071.db2.gz	RGLHAOMCOJOGHF-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1cccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001250584104	805707272	/nfs/dbraw/zinc/70/72/72/805707272.db2.gz	JDTBIVJYIRIDOM-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
Cc1ccc(F)c2nc(-c3cc(C#N)ccc3[O-])[nH]c21	ZINC001251180257	805859450	/nfs/dbraw/zinc/85/94/50/805859450.db2.gz	LEAHDZCOCSTWKQ-UHFFFAOYSA-N	-1	0	267.263	3.255	20	30		CGEDRM
Cc1cccc(C#N)c1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC001253037779	806155756	/nfs/dbraw/zinc/15/57/56/806155756.db2.gz	DZMXZOXHHIZUEU-ZHACJKMWSA-N	-1	0	298.367	3.279	20	30		CGEDRM
CCCS(=O)(=O)[N-]c1c(Cl)cc(Cl)cc1C#N	ZINC001253692336	806280154	/nfs/dbraw/zinc/28/01/54/806280154.db2.gz	IDQJECPLDCFHQV-UHFFFAOYSA-N	-1	0	293.175	3.017	20	30		CGEDRM
Cc1ccc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176401475	799094717	/nfs/dbraw/zinc/09/47/17/799094717.db2.gz	ZVFSMVVMFBEKTD-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
CC(C)c1nc(C(=O)Nc2cc(C#N)ccc2[O-])cs1	ZINC000176409390	799097047	/nfs/dbraw/zinc/09/70/47/799097047.db2.gz	ZPRAMGLCRCESSD-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000398931212	799533292	/nfs/dbraw/zinc/53/32/92/799533292.db2.gz	SRWNNBOAEFKIBN-KGLIPLIRSA-N	-1	0	283.412	3.306	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)oc1C	ZINC000809156026	800413600	/nfs/dbraw/zinc/41/36/00/800413600.db2.gz	CFHHFVKJFJQRPA-GQCTYLIASA-N	-1	0	286.283	3.196	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000909321805	800604807	/nfs/dbraw/zinc/60/48/07/800604807.db2.gz	SHMLIOHYVDAGEA-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1F	ZINC001116377130	802338165	/nfs/dbraw/zinc/33/81/65/802338165.db2.gz	CZGMDBUEZJPOJQ-VQHVLOKHSA-N	-1	0	272.275	3.436	20	30		CGEDRM
C=CC[C@H](NC(=O)NC1CCC(CCCC)CC1)C(=O)[O-]	ZINC001116899017	802426407	/nfs/dbraw/zinc/42/64/07/802426407.db2.gz	ASLXXBBAZATQFM-RUXDESIVSA-N	-1	0	296.411	3.064	20	30		CGEDRM
C=CC[C@@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(=O)[O-]	ZINC001116921964	802428716	/nfs/dbraw/zinc/42/87/16/802428716.db2.gz	KYKWDCRSRJGSHD-UKRRQHHQSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1	ZINC001118790545	802603609	/nfs/dbraw/zinc/60/36/09/802603609.db2.gz	DBYPCKGGOFKCGZ-UHFFFAOYSA-N	-1	0	299.292	3.361	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2C)CC1	ZINC001119637644	802687506	/nfs/dbraw/zinc/68/75/06/802687506.db2.gz	CDSRBSLAFGXVJY-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
CCOc1ncc(-c2ccccc2C=N[O-])cc1F	ZINC001243778132	802997998	/nfs/dbraw/zinc/99/79/98/802997998.db2.gz	WVOWDBZOGQOAKA-UHFFFAOYSA-N	-1	0	260.268	3.095	20	30		CGEDRM
CCc1nnc(-c2c([O-])cccc2Cl)c(C#N)c1CC	ZINC001244034317	803152980	/nfs/dbraw/zinc/15/29/80/803152980.db2.gz	XKOLJAHOMGUMJN-UHFFFAOYSA-N	-1	0	287.750	3.499	20	30		CGEDRM
C=C(C)c1ccc(-c2cc(OC)cc(C(=O)[O-])c2)nc1	ZINC001244171836	803222682	/nfs/dbraw/zinc/22/26/82/803222682.db2.gz	BMCFRYAYHVQMFO-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
COc1ncc(-c2cc(F)c([O-])c(Cl)c2)cc1C#N	ZINC001244500949	803406117	/nfs/dbraw/zinc/40/61/17/803406117.db2.gz	IDWLZXATROGNMM-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1cc(-c2cc(F)c([O-])c(Cl)c2)ncc1C#N	ZINC001244501218	803407404	/nfs/dbraw/zinc/40/74/04/803407404.db2.gz	XSUUQJAKYIKRNW-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1cc(C#N)cnc1-c1cc(C)c([O-])c(Cl)c1	ZINC001244531559	803423057	/nfs/dbraw/zinc/42/30/57/803423057.db2.gz	LVHVAUQIJWUQMD-UHFFFAOYSA-N	-1	0	274.707	3.296	20	30		CGEDRM
Cc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)c(C#N)n1	ZINC001244612342	803464305	/nfs/dbraw/zinc/46/43/05/803464305.db2.gz	IFRSJYHQFBSSAB-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#CCc1cncc(-c2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001244613344	803465240	/nfs/dbraw/zinc/46/52/40/803465240.db2.gz	KRMTUBGQYYNKSK-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(Cl)c([O-])c2F)c1F	ZINC001244629433	803473196	/nfs/dbraw/zinc/47/31/96/803473196.db2.gz	JENSIXZMRFLXNN-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1nc(-c2ccc(Cl)c([O-])c2F)ccc1C#N	ZINC001244631209	803473757	/nfs/dbraw/zinc/47/37/57/803473757.db2.gz	RRNDXGNQEVSRLB-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(-c2ccc(CC#N)cn2)cc(C)c1C(=O)[O-]	ZINC001244943380	803585399	/nfs/dbraw/zinc/58/53/99/803585399.db2.gz	WPDOOHLVUCJSTK-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])cc2Cl)ccc1CC#N	ZINC001245371406	803717302	/nfs/dbraw/zinc/71/73/02/803717302.db2.gz	UNXLJOBCYKEQBQ-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245374078	803718491	/nfs/dbraw/zinc/71/84/91/803718491.db2.gz	GOZZLUZIQWTCIU-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1nc(-c2c([O-])cccc2F)ccc1C(F)(F)F	ZINC001245652305	803883096	/nfs/dbraw/zinc/88/30/96/803883096.db2.gz	YVLTUQSEDCDOPV-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1nc(-c2cc(Cl)c([O-])cc2F)ccc1C#N	ZINC001245667869	803896667	/nfs/dbraw/zinc/89/66/67/803896667.db2.gz	NHIQLIFRBYTNDV-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(-c3ccc(F)cc3)cc2=O)c1	ZINC001245918734	804046944	/nfs/dbraw/zinc/04/69/44/804046944.db2.gz	ZMYFYRYDDSMUGW-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)cc(F)c2O)c([O-])cc1F	ZINC001212489731	815039383	/nfs/dbraw/zinc/03/93/83/815039383.db2.gz	YLQCSUXXCQDHPP-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
COc1c(C)cccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001248533838	804944793	/nfs/dbraw/zinc/94/47/93/804944793.db2.gz	RVYUZTWLFINGKV-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
N#Cc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212513544	815044886	/nfs/dbraw/zinc/04/48/86/815044886.db2.gz	WJKMYKRSWOLPIO-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccccc1Cc1c(F)cc(F)c([O-])c1F	ZINC001250045650	805385136	/nfs/dbraw/zinc/38/51/36/805385136.db2.gz	GOPICFPSMBZZST-UHFFFAOYSA-N	-1	0	263.218	3.272	20	30		CGEDRM
N#Cc1ccccc1Cc1ccc(C(=O)[O-])c(F)c1F	ZINC001250047668	805387056	/nfs/dbraw/zinc/38/70/56/805387056.db2.gz	QZYIBDPOQHYPJK-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
N#Cc1ncccc1Nc1c(F)ccc([O-])c1Cl	ZINC001250228951	805504626	/nfs/dbraw/zinc/50/46/26/805504626.db2.gz	QKPPRILVIDJVOW-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2occc21	ZINC001258283590	807394611	/nfs/dbraw/zinc/39/46/11/807394611.db2.gz	ZXYDIDMCJMZCIW-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
CC[C@H](C)S(=O)(=O)[N-]c1sc2ccccc2c1C#N	ZINC001260725009	807700240	/nfs/dbraw/zinc/70/02/40/807700240.db2.gz	AFIOPHDDGHAISS-VIFPVBQESA-N	-1	0	294.401	3.313	20	30		CGEDRM
N#CC1CCC(=Nc2ncc(Br)cc2[O-])CC1	ZINC001212855276	815160471	/nfs/dbraw/zinc/16/04/71/815160471.db2.gz	UMPKSWIQJJZUAR-MRVPVSSYSA-N	-1	0	294.152	3.169	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc3c(o2)CCCC3)nc(C)n1	ZINC001263305366	807945219	/nfs/dbraw/zinc/94/52/19/807945219.db2.gz	WLSIWZJYGPLKJG-CYBMUJFWSA-N	-1	0	295.342	3.055	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001263616489	807978387	/nfs/dbraw/zinc/97/83/87/807978387.db2.gz	XKZOTICFLLUBED-SNVBAGLBSA-N	-1	0	291.738	3.109	20	30		CGEDRM
CCCCCCCC[C@H](CC)N[C@@H]1SC(=O)[N-]C1=O	ZINC001172506138	808363046	/nfs/dbraw/zinc/36/30/46/808363046.db2.gz	OMDFNGISUNYOLM-WCQYABFASA-N	-1	0	286.441	3.414	20	30		CGEDRM
COc1ccc(OC)c(Nc2scc([O-])c2C#N)c1	ZINC001173918428	808760065	/nfs/dbraw/zinc/76/00/65/808760065.db2.gz	ZQISTNNRGSQRFV-UHFFFAOYSA-N	-1	0	276.317	3.086	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(F)c1F	ZINC001173947163	808777548	/nfs/dbraw/zinc/77/75/48/808777548.db2.gz	QEMLYJHFMLFQPA-UHFFFAOYSA-N	-1	0	252.245	3.347	20	30		CGEDRM
N#Cc1sccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174495181	809042497	/nfs/dbraw/zinc/04/24/97/809042497.db2.gz	NJIZIXRJKLYDAM-SNAWJCMRSA-N	-1	0	270.313	3.461	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174499358	809046763	/nfs/dbraw/zinc/04/67/63/809046763.db2.gz	GCGYYGSAJSHHIA-BQYQJAHWSA-N	-1	0	280.283	3.105	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174500414	809047643	/nfs/dbraw/zinc/04/76/43/809047643.db2.gz	QYJOSBGOPQAEND-QPJJXVBHSA-N	-1	0	280.283	3.105	20	30		CGEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])cc2OC)ccc1F	ZINC001174677547	809127129	/nfs/dbraw/zinc/12/71/29/809127129.db2.gz	MOVNCRMIGQSECL-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1C#N	ZINC001174685055	809130053	/nfs/dbraw/zinc/13/00/53/809130053.db2.gz	MQMGQGQGWNONNZ-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1F	ZINC001174687869	809131251	/nfs/dbraw/zinc/13/12/51/809131251.db2.gz	ILEQCTKNQWKJJA-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)s1	ZINC001174983080	809225744	/nfs/dbraw/zinc/22/57/44/809225744.db2.gz	DYVXMHFRXDPUGX-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1cccc(F)c1Nc1scc([O-])c1C#N	ZINC001174991326	809229802	/nfs/dbraw/zinc/22/98/02/809229802.db2.gz	UONQFHSKBBWPNI-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1C#N	ZINC001175159751	809292344	/nfs/dbraw/zinc/29/23/44/809292344.db2.gz	HKDREFPWFRGQSI-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175158858	809292431	/nfs/dbraw/zinc/29/24/31/809292431.db2.gz	YXXSUSZKHOVDNL-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1n[nH]c2cc(Nc3cc(C#N)c(F)cc3[O-])ccc12	ZINC001175662884	809496721	/nfs/dbraw/zinc/49/67/21/809496721.db2.gz	IGZTUKGJGKLBBQ-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
N#Cc1cccc(Cl)c1Nc1cncc(C(=O)[O-])c1	ZINC001175841592	809553211	/nfs/dbraw/zinc/55/32/11/809553211.db2.gz	MWMFUDLCELUYGV-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	ZINC001300210179	809564165	/nfs/dbraw/zinc/56/41/65/809564165.db2.gz	CGFDBEVQAUXNJI-CHWSQXEVSA-N	-1	0	291.391	3.374	20	30		CGEDRM
CC(C)(C)c1noc(Nc2csc(C(=O)[O-])c2)c1C#N	ZINC001176435677	809696072	/nfs/dbraw/zinc/69/60/72/809696072.db2.gz	NLSVJGRQIFTBMG-UHFFFAOYSA-N	-1	0	291.332	3.347	20	30		CGEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)s1	ZINC001176437358	809697753	/nfs/dbraw/zinc/69/77/53/809697753.db2.gz	WKXBAZYSZIDSHB-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176584028	809723769	/nfs/dbraw/zinc/72/37/69/809723769.db2.gz	DKMOGJCCBBKKJL-UHFFFAOYSA-N	-1	0	293.326	3.122	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176671451	809739430	/nfs/dbraw/zinc/73/94/30/809739430.db2.gz	ZLSVBYMKHKXSMC-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#Cc1ccccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176670469	809739942	/nfs/dbraw/zinc/73/99/42/809739942.db2.gz	VYQPVUKSQHVNFC-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC001176679658	809741227	/nfs/dbraw/zinc/74/12/27/809741227.db2.gz	NXWMXWPHWZNPRL-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)Cc2ccc([S-])cc2)s1	ZINC001183186313	810139204	/nfs/dbraw/zinc/13/92/04/810139204.db2.gz	NMIIQXRQEOSVDD-UHFFFAOYSA-N	-1	0	288.397	3.398	20	30		CGEDRM
Cc1cc2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cc2[nH]1	ZINC001184244248	810185318	/nfs/dbraw/zinc/18/53/18/810185318.db2.gz	OOHBZHQWLWXIPM-UHFFFAOYSA-N	-1	0	293.346	3.465	20	30		CGEDRM
O=C(c1cc(C2CC2)[nH]n1)N(O)CCCCc1ccccc1	ZINC001184293253	810189189	/nfs/dbraw/zinc/18/91/89/810189189.db2.gz	LSFVHDKWAGGMRR-UHFFFAOYSA-N	-1	0	299.374	3.141	20	30		CGEDRM
N#CCS(=O)(=O)[N-]c1cccc2cc3ccccc3cc21	ZINC001192980079	810838925	/nfs/dbraw/zinc/83/89/25/810838925.db2.gz	BNPWBWRPIQYFLY-UHFFFAOYSA-N	-1	0	296.351	3.258	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cc(C3CCCC3)no2)ccc1[O-]	ZINC001193494770	810896854	/nfs/dbraw/zinc/89/68/54/810896854.db2.gz	OQHYQGNYFVKKAV-UHFFFAOYSA-N	-1	0	297.314	3.162	20	30		CGEDRM
C[C@H]1C[C@@H](NC(=O)c2cccc(C#N)c2[O-])c2ccccc21	ZINC001193657647	810930112	/nfs/dbraw/zinc/93/01/12/810930112.db2.gz	AAMGNXCANMZWPQ-MEDUHNTESA-N	-1	0	292.338	3.242	20	30		CGEDRM
CCCCCCCCCCN(C)C(=O)c1cc(=O)n(C)[n-]1	ZINC001194199905	811034980	/nfs/dbraw/zinc/03/49/80/811034980.db2.gz	KAADXUWJBUQTBQ-UHFFFAOYSA-N	-1	0	295.427	3.338	20	30		CGEDRM
Cc1cccc(C)c1S(=O)(=O)[N-]c1sccc1C#N	ZINC001194604720	811093741	/nfs/dbraw/zinc/09/37/41/811093741.db2.gz	IDFKHIIYEMPINM-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccccc2C(F)F)c([O-])c1	ZINC001195749793	811287070	/nfs/dbraw/zinc/28/70/70/811287070.db2.gz	ANHWQMCYCOOEAN-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
COc1cccc(NC(=S)Nc2cc(C#N)ccc2[O-])c1	ZINC001196049073	811313979	/nfs/dbraw/zinc/31/39/79/811313979.db2.gz	HCYAIAKAULSZNI-UHFFFAOYSA-N	-1	0	299.355	3.081	20	30		CGEDRM
COc1ccc(Nc2c([O-])cc(F)cc2F)cc1C#N	ZINC001215000940	815474438	/nfs/dbraw/zinc/47/44/38/815474438.db2.gz	GFRSMKILGJZZAT-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201229401	811800800	/nfs/dbraw/zinc/80/08/00/811800800.db2.gz	MXHLDMFZBBAIKW-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1ccc([N-]c2nnc(-c3ccco3)o2)c(F)c1	ZINC001201555934	811903220	/nfs/dbraw/zinc/90/32/20/811903220.db2.gz	PWRBREWARDDXDP-UHFFFAOYSA-N	-1	0	270.223	3.084	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1C#N	ZINC001215279074	815502715	/nfs/dbraw/zinc/50/27/15/815502715.db2.gz	YCKFSFBVZVSSTP-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccsc2C(=O)[O-])s1	ZINC001215383759	815514414	/nfs/dbraw/zinc/51/44/14/815514414.db2.gz	NLINVRXZFWCBOB-UHFFFAOYSA-N	-1	0	264.331	3.432	20	30		CGEDRM
N#Cc1cc(Nc2ccsc2C(=O)[O-])cs1	ZINC001215391591	815514755	/nfs/dbraw/zinc/51/47/55/815514755.db2.gz	CFNONVJFHJOPNI-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cs1	ZINC001215463801	815521572	/nfs/dbraw/zinc/52/15/72/815521572.db2.gz	PTJLMUFOUARQEU-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203571049	812396403	/nfs/dbraw/zinc/39/64/03/812396403.db2.gz	FMAJGQKEMGFMDJ-JTQLQIEISA-N	-1	0	271.147	3.187	20	30		CGEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203586168	812401970	/nfs/dbraw/zinc/40/19/70/812401970.db2.gz	MLQJNZDYNJEYOQ-UWVGGRQHSA-N	-1	0	289.137	3.135	20	30		CGEDRM
N#Cc1nc(-c2ccsc2C(=O)[O-])ccc1C(F)(F)F	ZINC001205377808	812975191	/nfs/dbraw/zinc/97/51/91/812975191.db2.gz	GBTPTBZSZQSGSC-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccsc1C(=O)[O-]	ZINC001205573173	813009606	/nfs/dbraw/zinc/00/96/06/813009606.db2.gz	VHLCDSXCMGCBNC-UHFFFAOYSA-N	-1	0	277.276	3.155	20	30		CGEDRM
CN(C)/C=N/c1ccc(-c2csc(C(=O)[O-])c2)cc1C#N	ZINC001206291527	813273426	/nfs/dbraw/zinc/27/34/26/813273426.db2.gz	QLJQXGLIHUYUPU-RQZCQDPDSA-N	-1	0	299.355	3.206	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1csc(C(=O)[O-])c1	ZINC001206291713	813275661	/nfs/dbraw/zinc/27/56/61/813275661.db2.gz	ZICHQKGNXAQTGA-UHFFFAOYSA-N	-1	0	257.314	3.488	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cc(F)c([O-])cc1F	ZINC001206760679	813426645	/nfs/dbraw/zinc/42/66/45/813426645.db2.gz	BRGPBSYDYNGZIO-UHFFFAOYSA-N	-1	0	287.269	3.268	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cc([O-])cc(F)c1	ZINC001206851289	813451832	/nfs/dbraw/zinc/45/18/32/813451832.db2.gz	KYVCGWIAXWRNGQ-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
Cc1oc(Nc2cc(F)cc(C(=O)[O-])c2)c(C#N)c1C	ZINC001209885363	814187121	/nfs/dbraw/zinc/18/71/21/814187121.db2.gz	JRLPBLWJZXLIGX-UHFFFAOYSA-N	-1	0	274.251	3.349	20	30		CGEDRM
COc1ccc(Nc2cccc(F)c2C#N)cc1C(=O)[O-]	ZINC001209903273	814195634	/nfs/dbraw/zinc/19/56/34/814195634.db2.gz	TYXODLRYJAIXSZ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CN(C)c1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001209993567	814235126	/nfs/dbraw/zinc/23/51/26/814235126.db2.gz	IVTHPUPYNMEYLJ-UHFFFAOYSA-N	-1	0	271.295	3.213	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1c(C#N)cccc1C#N	ZINC001210008668	814240602	/nfs/dbraw/zinc/24/06/02/814240602.db2.gz	UDOCAFVLLUZICR-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(C#N)ccc1O	ZINC001210008193	814241217	/nfs/dbraw/zinc/24/12/17/814241217.db2.gz	MFPQENPDEBMDIK-UHFFFAOYSA-N	-1	0	286.262	3.153	20	30		CGEDRM
N#CCc1cccc(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210072978	814274357	/nfs/dbraw/zinc/27/43/57/814274357.db2.gz	CVVWXNGENYXSLN-UHFFFAOYSA-N	-1	0	266.300	3.123	20	30		CGEDRM
N#CCc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1	ZINC001210071797	814274391	/nfs/dbraw/zinc/27/43/91/814274391.db2.gz	WILYPAXLMYQIPK-UHFFFAOYSA-N	-1	0	266.300	3.123	20	30		CGEDRM
N#CCc1cc(Nc2cccc(CC(=O)[O-])c2)ccc1F	ZINC001210077640	814276782	/nfs/dbraw/zinc/27/67/82/814276782.db2.gz	WKOQZUZLNWAVKV-UHFFFAOYSA-N	-1	0	284.290	3.262	20	30		CGEDRM
N#Cc1cc(Cl)cc(Nc2ccc(C(=O)[O-])nc2)c1	ZINC001210176281	814321909	/nfs/dbraw/zinc/32/19/09/814321909.db2.gz	VMCYCHVHRAOOGQ-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])nc2)c(F)c1Cl	ZINC001210175888	814322026	/nfs/dbraw/zinc/32/20/26/814322026.db2.gz	ALRBGUKHTRKHIW-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1c(C)cccc1C#N	ZINC001210259399	814370148	/nfs/dbraw/zinc/37/01/48/814370148.db2.gz	RSUXLGGDBRGMFH-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC001210400474	814446156	/nfs/dbraw/zinc/44/61/56/814446156.db2.gz	IFFDESYQSNVZKJ-UHFFFAOYSA-N	-1	0	272.235	3.164	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2ocnc2c1	ZINC001210571205	814534760	/nfs/dbraw/zinc/53/47/60/814534760.db2.gz	VLDPYFCLUSQXRG-UHFFFAOYSA-N	-1	0	257.274	3.210	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1C#N	ZINC001210808491	814638932	/nfs/dbraw/zinc/63/89/32/814638932.db2.gz	BXEGSLXFANFMFP-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccccc2C(=O)[O-])s1	ZINC001210968570	814695457	/nfs/dbraw/zinc/69/54/57/814695457.db2.gz	AOPNXMCATVNKBP-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1c(Nc2ccccc2CC#N)cccc1C(=O)[O-]	ZINC001211036564	814714445	/nfs/dbraw/zinc/71/44/45/814714445.db2.gz	IBEBAXHHVYHWRZ-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
CSc1cncc(Nc2scc([O-])c2C#N)c1	ZINC001211067883	814729539	/nfs/dbraw/zinc/72/95/39/814729539.db2.gz	WTGOJIQYUYBYTA-UHFFFAOYSA-N	-1	0	263.347	3.186	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cnccc1Cl	ZINC001211209907	814849503	/nfs/dbraw/zinc/84/95/03/814849503.db2.gz	NMHNPNXFEGZFBH-UHFFFAOYSA-N	-1	0	251.698	3.117	20	30		CGEDRM
Cc1cc(Nc2cc(F)cc(C#N)c2)cc(C(=O)[O-])c1	ZINC001211542448	814903689	/nfs/dbraw/zinc/90/36/89/814903689.db2.gz	JZBDOTKKKJWYRR-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1coc(Nc2ccc(C)c(C(=O)[O-])c2)c1C#N	ZINC001211599676	814915313	/nfs/dbraw/zinc/91/53/13/814915313.db2.gz	SWFVBMGKXZUMIR-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211606155	814916998	/nfs/dbraw/zinc/91/69/98/814916998.db2.gz	IKIMMJOATLBRCJ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(Cl)cnc1C#N	ZINC001211620993	814919510	/nfs/dbraw/zinc/91/95/10/814919510.db2.gz	QRADJVXPVBSGPI-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
CCOCc1cncc(Nc2scc([O-])c2C#N)c1	ZINC001215787065	815591338	/nfs/dbraw/zinc/59/13/38/815591338.db2.gz	IFUAIUJGLWHIAT-UHFFFAOYSA-N	-1	0	275.333	3.000	20	30		CGEDRM
CNc1cc(F)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001216188442	815727902	/nfs/dbraw/zinc/72/79/02/815727902.db2.gz	UGUKGWIGGQQFPB-UHFFFAOYSA-N	-1	0	275.258	3.327	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)cnc2C)cc(C)c1C(=O)[O-]	ZINC001216309699	815775863	/nfs/dbraw/zinc/77/58/63/815775863.db2.gz	KXOVCRZEAWOEMZ-UHFFFAOYSA-N	-1	0	281.315	3.320	20	30		CGEDRM
COc1cc(Nc2scc([O-])c2C#N)c(Cl)cn1	ZINC001216384660	815806099	/nfs/dbraw/zinc/80/60/99/815806099.db2.gz	PFUATNFWTYOBKF-UHFFFAOYSA-N	-1	0	281.724	3.126	20	30		CGEDRM
Cc1c(Nc2ccc(C#N)c(F)c2)cccc1C(=O)[O-]	ZINC001216661315	815889027	/nfs/dbraw/zinc/88/90/27/815889027.db2.gz	FEXXRRYQWYNBKE-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccccc1CC#N	ZINC001242922952	823173158	/nfs/dbraw/zinc/17/31/58/823173158.db2.gz	YGCRIUVZFGUBHL-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
C=C(C)c1cncc(-c2cccc(C(=O)[O-])c2OC)c1	ZINC001242922757	823173231	/nfs/dbraw/zinc/17/32/31/823173231.db2.gz	TVJCQOYIAMQYQO-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222662337	816493739	/nfs/dbraw/zinc/49/37/39/816493739.db2.gz	IDJBDPMCIHXQBX-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222659056	816493876	/nfs/dbraw/zinc/49/38/76/816493876.db2.gz	XIWDYWKAPWFNAO-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
O/N=C(\OCCOC1CCCC1)c1ccc(Cl)cc1	ZINC001223592549	816654278	/nfs/dbraw/zinc/65/42/78/816654278.db2.gz	CGXNLZFQDVPXRB-PEZBUJJGSA-N	-1	0	283.755	3.452	20	30		CGEDRM
CC[C@@H]1OC(=O)C(O/C(=N\[O-])c2ccc(Cl)cc2)=C1C	ZINC001223594917	816655899	/nfs/dbraw/zinc/65/58/99/816655899.db2.gz	CNONOQQYCJOFOH-CQINNJSPSA-N	-1	0	295.722	3.102	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC001223893035	816698660	/nfs/dbraw/zinc/69/86/60/816698660.db2.gz	PIPOVWFOBCQYHC-DZHNXZGHSA-N	-1	0	291.347	3.045	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCCC[C@H]2C)c1	ZINC001223893253	816698797	/nfs/dbraw/zinc/69/87/97/816698797.db2.gz	TXNRGZONPFDUDE-AJZGCWJTSA-N	-1	0	293.363	3.435	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2cnccc2Cl)cc1F	ZINC001243046446	823224172	/nfs/dbraw/zinc/22/41/72/823224172.db2.gz	GRJVRNOCNGJZBV-OMCISZLKSA-N	-1	0	250.660	3.349	20	30		CGEDRM
N#C[C@@H](OCC(=O)[O-])c1cccc(Oc2ccccc2)c1	ZINC001225024559	816935893	/nfs/dbraw/zinc/93/58/93/816935893.db2.gz	VFMGMPBHXSDYSO-OAHLLOKOSA-N	-1	0	283.283	3.145	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225620938	817115085	/nfs/dbraw/zinc/11/50/85/817115085.db2.gz	YDCZDAWXZJMXKL-JTQLQIEISA-N	-1	0	251.282	3.424	20	30		CGEDRM
C#C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001225620114	817115931	/nfs/dbraw/zinc/11/59/31/817115931.db2.gz	MVZCMACAFUMLFJ-ZDUSSCGKSA-N	-1	0	269.256	3.054	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225627228	817118787	/nfs/dbraw/zinc/11/87/87/817118787.db2.gz	XQYOQDWXCXWGPO-QMMMGPOBSA-N	-1	0	271.338	3.166	20	30		CGEDRM
Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013930	817249122	/nfs/dbraw/zinc/24/91/22/817249122.db2.gz	TUCXPYXNBBRRSC-CQSZACIVSA-N	-1	0	284.290	3.173	20	30		CGEDRM
CC(C)[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226064627	817262446	/nfs/dbraw/zinc/26/24/46/817262446.db2.gz	NZAGSDVURYYKMX-SSDOTTSWSA-N	-1	0	274.242	3.101	20	30		CGEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069156	817264022	/nfs/dbraw/zinc/26/40/22/817264022.db2.gz	ZSELKXQLNSAFAM-MRVPVSSYSA-N	-1	0	284.237	3.187	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccccc2[N+](=O)[O-])c1C#N	ZINC001226224019	817301588	/nfs/dbraw/zinc/30/15/88/817301588.db2.gz	YEGGSEVVBLVNKL-JTQLQIEISA-N	-1	0	299.286	3.016	20	30		CGEDRM
CCC[C@H](Oc1nccc(/C=N/O)n1)c1ccccc1	ZINC001226254611	817312524	/nfs/dbraw/zinc/31/25/24/817312524.db2.gz	AYKVZFXUPIRNRP-MPMPPSQCSA-N	-1	0	271.320	3.205	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226345843	817331649	/nfs/dbraw/zinc/33/16/49/817331649.db2.gz	GPFXCVGHPIZXNE-MRVPVSSYSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C=C(C)C[C@@H](Oc1nc[n-]c(=O)c1Br)C(=C)C	ZINC001226722113	817446136	/nfs/dbraw/zinc/44/61/36/817446136.db2.gz	OJYJTEFZQGBPRN-SECBINFHSA-N	-1	0	299.168	3.234	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226978074	817522560	/nfs/dbraw/zinc/52/25/60/817522560.db2.gz	YRXGQBLZGUOMMH-GFCCVEGCSA-N	-1	0	287.363	3.222	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2ccccc21	ZINC001226979798	817523697	/nfs/dbraw/zinc/52/36/97/817523697.db2.gz	AIQVGZRZHOAYOY-SECBINFHSA-N	-1	0	278.377	3.201	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226988957	817527356	/nfs/dbraw/zinc/52/73/56/817527356.db2.gz	CPJPPNPWYVEEHB-NSHDSACASA-N	-1	0	288.351	3.029	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1[nH]c(=O)ncc1Br	ZINC001227136698	817568946	/nfs/dbraw/zinc/56/89/46/817568946.db2.gz	BXXLELUQNAXHDX-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2nc3ncccc3cc2C#N)c1	ZINC001243178498	823275362	/nfs/dbraw/zinc/27/53/62/823275362.db2.gz	KMJHBOTUVNEUSI-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C=C[C@H](C#CC(C)(C)C)Oc1ccc(O)c(C#N)c1C#N	ZINC001227624386	817686533	/nfs/dbraw/zinc/68/65/33/817686533.db2.gz	ZDISLIQDPFYEMU-GFCCVEGCSA-N	-1	0	280.327	3.118	20	30		CGEDRM
Cc1ccc(-c2cc(/C=N/O)ccc2F)cc1C(=O)[O-]	ZINC001243194287	823283982	/nfs/dbraw/zinc/28/39/82/823283982.db2.gz	DUXWEYGKUNBXAN-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227989289	817774999	/nfs/dbraw/zinc/77/49/99/817774999.db2.gz	KGXGGMOEPDGGRY-NOZJJQNGSA-N	-1	0	288.734	3.170	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1CC#N	ZINC001243204013	823289939	/nfs/dbraw/zinc/28/99/39/823289939.db2.gz	WPQCOQAFWFIOOD-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccccc1C=NO	ZINC001243212701	823294607	/nfs/dbraw/zinc/29/46/07/823294607.db2.gz	LCDSFLYJJIJAAC-UHFFFAOYSA-N	-1	0	255.273	3.168	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1Cl	ZINC001228481524	817917970	/nfs/dbraw/zinc/91/79/70/817917970.db2.gz	AMRMQGLHZMWMPE-LBPRGKRZSA-N	-1	0	288.734	3.045	20	30		CGEDRM
C=CCC[C@H](CC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231265057	818067183	/nfs/dbraw/zinc/06/71/83/818067183.db2.gz	WDBOYORDNMXEOI-JTQLQIEISA-N	-1	0	266.297	3.127	20	30		CGEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1	ZINC001232678624	818416455	/nfs/dbraw/zinc/41/64/55/818416455.db2.gz	KPJPKMNDARZTKL-UHFFFAOYSA-N	-1	0	298.773	3.476	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc([O-])c(F)c1F	ZINC001243343529	823358514	/nfs/dbraw/zinc/35/85/14/823358514.db2.gz	ZWXIMHPJOFKYHQ-UHFFFAOYSA-N	-1	0	271.226	3.037	20	30		CGEDRM
CCC1CCC(Oc2[n-]c(=O)cc(C)c2C#N)CC1	ZINC001233919407	818730469	/nfs/dbraw/zinc/73/04/69/818730469.db2.gz	MYUOCUFVZROPBG-UHFFFAOYSA-N	-1	0	260.337	3.315	20	30		CGEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511186	818869702	/nfs/dbraw/zinc/86/97/02/818869702.db2.gz	LJPCRSHYIZZXOV-ZDUSSCGKSA-N	-1	0	295.342	3.168	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511595	818870570	/nfs/dbraw/zinc/87/05/70/818870570.db2.gz	RPBCYDPVZGSRMF-ZWNOBZJWSA-N	-1	0	283.331	3.165	20	30		CGEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234515747	818871336	/nfs/dbraw/zinc/87/13/36/818871336.db2.gz	MQARYTKAXUFONK-UHFFFAOYSA-N	-1	0	281.315	3.107	20	30		CGEDRM
Cc1nc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1CC#N	ZINC001235169242	819022633	/nfs/dbraw/zinc/02/26/33/819022633.db2.gz	KNLYFMICTPOPLB-RUDMXATFSA-N	-1	0	278.311	3.221	20	30		CGEDRM
Cc1c(Cl)c(-c2cccc(C#N)n2)ccc1C(=O)[O-]	ZINC001236107954	819324671	/nfs/dbraw/zinc/32/46/71/819324671.db2.gz	JYOWIAXOYMUQEL-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1cnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c(C#N)c1	ZINC001236142647	819343493	/nfs/dbraw/zinc/34/34/93/819343493.db2.gz	JHIVGCFZZQCIIZ-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cc(F)cc(F)c2[O-])c1F	ZINC001243505323	823423193	/nfs/dbraw/zinc/42/31/93/823423193.db2.gz	QSQUEJSYJFGLFE-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
C=CCN(CC=C)Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237536000	819773352	/nfs/dbraw/zinc/77/33/52/819773352.db2.gz	VTCNOSMDWXYRRF-UHFFFAOYSA-N	-1	0	273.163	3.268	20	30		CGEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)CC1	ZINC001238152361	819942524	/nfs/dbraw/zinc/94/25/24/819942524.db2.gz	NQZMBQDYSKOCFE-SNVBAGLBSA-N	-1	0	282.746	3.310	20	30		CGEDRM
N#Cc1ccc2ncc(-c3ccc(C(=O)[O-])cc3F)nc2c1	ZINC001239251287	820240532	/nfs/dbraw/zinc/24/05/32/820240532.db2.gz	ZAICSEWJIYLGML-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#CCc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1C#N	ZINC001240549443	821135223	/nfs/dbraw/zinc/13/52/23/821135223.db2.gz	JCAIPGMCLBDTMZ-QPJJXVBHSA-N	-1	0	288.306	3.389	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])s2)cn1	ZINC001240846991	821367904	/nfs/dbraw/zinc/36/79/04/821367904.db2.gz	HPDDOTRTVCFRQI-UHFFFAOYSA-N	-1	0	272.329	3.309	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])s2)c2cc[nH]c21	ZINC001240848373	821368844	/nfs/dbraw/zinc/36/88/44/821368844.db2.gz	WVNSRFILHFULMM-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
COc1cc(F)c(-c2ccccc2C=N[O-])cc1F	ZINC001240960056	821446880	/nfs/dbraw/zinc/44/68/80/821446880.db2.gz	ZRPOTTIUIMZNEJ-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
N#Cc1ccc(-c2c(F)cc([O-])cc2F)c(C#N)c1	ZINC001241122431	821578127	/nfs/dbraw/zinc/57/81/27/821578127.db2.gz	CRUSKHUAZRBPJK-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
Nc1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)ccn1	ZINC001241169609	821614214	/nfs/dbraw/zinc/61/42/14/821614214.db2.gz	HYNOCMVUMBWICK-FBCYGCLPSA-N	-1	0	281.237	3.158	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(C(=O)[O-])c(F)c3)c2)CC1	ZINC001241185880	821622588	/nfs/dbraw/zinc/62/25/88/821622588.db2.gz	TXFSLGDBDWUWEW-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241349046	821751668	/nfs/dbraw/zinc/75/16/68/821751668.db2.gz	IWDHTSXHBMHBAV-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2)cc(F)c1C#N	ZINC001241358829	821760056	/nfs/dbraw/zinc/76/00/56/821760056.db2.gz	LNCFESPAYDVRJY-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#CC1(c2ccc(-c3cc(F)cc(C(=O)[O-])c3)nc2)CC1	ZINC001241816302	822159821	/nfs/dbraw/zinc/15/98/21/822159821.db2.gz	DWKCAECBISICDA-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
Cc1nc(-c2ccc(F)cc2[O-])c(C#N)c(C)c1C	ZINC001242218028	822915173	/nfs/dbraw/zinc/91/51/73/822915173.db2.gz	XBXHERWIWDJLRL-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
Cc1nc(-c2cccc(F)c2[O-])c(C#N)c(C)c1C	ZINC001242349992	822960398	/nfs/dbraw/zinc/96/03/98/822960398.db2.gz	BQDWFSFDRVGYKP-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
N#CCc1cc(-c2cccc(F)c2[O-])ccc1C#N	ZINC001242351888	822961799	/nfs/dbraw/zinc/96/17/99/822961799.db2.gz	ZYFMCJAUAAHPMM-UHFFFAOYSA-N	-1	0	252.248	3.136	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1cccc(Cl)c1[O-]	ZINC001242367654	822969662	/nfs/dbraw/zinc/96/96/62/822969662.db2.gz	PGGMHMDXYASVKS-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2F)cc1C#N	ZINC001242379390	822974529	/nfs/dbraw/zinc/97/45/29/822974529.db2.gz	OTLAKBIXKKDVHE-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
N#CCc1cccc(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242380404	822974781	/nfs/dbraw/zinc/97/47/81/822974781.db2.gz	KNQZHAQOZGLYHB-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(/C=N/O)ccc1F	ZINC001242391958	822979388	/nfs/dbraw/zinc/97/93/88/822979388.db2.gz	HIANSZKQMXIPBX-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2ccc([O-])c(C#N)c2)[nH]1	ZINC001242564627	823034116	/nfs/dbraw/zinc/03/41/16/823034116.db2.gz	JYBFFGGVOJCSRZ-UHFFFAOYSA-N	-1	0	259.268	3.284	20	30		CGEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001343369983	936496690	/nfs/dbraw/zinc/49/66/90/936496690.db2.gz	YZLIOPOHUZNQRI-LLVKDONJSA-N	-1	0	272.279	3.427	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)CC1CCC(C(=O)[O-])CC1	ZINC001347588891	936888722	/nfs/dbraw/zinc/88/87/22/936888722.db2.gz	WNISJLPOPIZAQN-YMAMQOFZSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)CC1CCC(C(=O)[O-])CC1	ZINC001347588889	936889074	/nfs/dbraw/zinc/88/90/74/936889074.db2.gz	WNISJLPOPIZAQN-NRXISQOPSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C#Cc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175977837	928236710	/nfs/dbraw/zinc/23/67/10/928236710.db2.gz	AUBCRHWBBQJCPR-UHFFFAOYSA-N	-1	0	252.248	3.128	20	30		CGEDRM
Cc1ccc2c(c1)[C@H](Oc1[n-]c(=O)ccc1C#N)CC2	ZINC001228898635	932047676	/nfs/dbraw/zinc/04/76/76/932047676.db2.gz	KIEIBBTVEGASJB-CQSZACIVSA-N	-1	0	266.300	3.034	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(F)c1F	ZINC001228902012	932047763	/nfs/dbraw/zinc/04/77/63/932047763.db2.gz	ONMHDCVUAJXOKE-QMMMGPOBSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C=C(C)C[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(=C)C	ZINC001228972959	932063425	/nfs/dbraw/zinc/06/34/25/932063425.db2.gz	FPAYCTAJICFDSW-GFCCVEGCSA-N	-1	0	279.292	3.296	20	30		CGEDRM
C=CCOCC(COCC=C)Oc1ccc([S-])cc1C	ZINC001229635234	932182311	/nfs/dbraw/zinc/18/23/11/932182311.db2.gz	UDSNVYNFZBXEKT-UHFFFAOYSA-N	-1	0	294.416	3.436	20	30		CGEDRM
C#CC[C@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231047703	932666534	/nfs/dbraw/zinc/66/65/34/932666534.db2.gz	BESRPIJWWSETMF-LURJTMIESA-N	-1	0	270.119	3.055	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc3c(c2)CCC3)cc1	ZINC001319166990	933835171	/nfs/dbraw/zinc/83/51/71/933835171.db2.gz	HVBPRRYZBSFOGQ-UHFFFAOYSA-N	-1	0	280.327	3.320	20	30		CGEDRM
CC(C)=C[C@@H]1[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1(C)C	ZINC001471085353	937761438	/nfs/dbraw/zinc/76/14/38/937761438.db2.gz	DKFMAFMGPYHCBA-HUUCEWRRSA-N	-1	0	284.359	3.207	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1	ZINC001472286456	937774755	/nfs/dbraw/zinc/77/47/55/937774755.db2.gz	WBVQAGKTHCAPGZ-UHFFFAOYSA-N	-1	0	294.335	3.350	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC001336760513	936214561	/nfs/dbraw/zinc/21/45/61/936214561.db2.gz	UJNWKHBCAZMZKM-VIFPVBQESA-N	-1	0	299.292	3.380	20	30		CGEDRM
N#CC(=C([O-])C1=CCCCC1)c1ncc(F)cc1F	ZINC001518065700	938013983	/nfs/dbraw/zinc/01/39/83/938013983.db2.gz	PXODAKHYOGDEDF-NSHDSACASA-N	-1	0	262.259	3.036	20	30		CGEDRM
CC(C)c1occc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001520035563	938022608	/nfs/dbraw/zinc/02/26/08/938022608.db2.gz	CWZCZUDZAUROPK-JTQLQIEISA-N	-1	0	291.738	3.280	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001602717372	971366603	/nfs/dbraw/zinc/36/66/03/971366603.db2.gz	KIBHDUGJLKHVKK-NSHDSACASA-N	-1	0	292.310	3.096	20	30		CGEDRM
C=CCCCN1C[C@@H](CCC(=O)[O-])Cc2ccccc21	ZINC001602721976	971384738	/nfs/dbraw/zinc/38/47/38/971384738.db2.gz	LORSURRAZDYAHL-AWEZNQCLSA-N	-1	0	273.376	3.496	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000398065589	951582382	/nfs/dbraw/zinc/58/23/82/951582382.db2.gz	DSDOSBZAWYQLLY-KGLIPLIRSA-N	-1	0	296.411	3.018	20	30		CGEDRM
Cc1cc(CNc2cccc(CCC(=O)[O-])c2)ccc1C#N	ZINC001594303764	957937894	/nfs/dbraw/zinc/93/78/94/957937894.db2.gz	HMYRTCMWCDOCAQ-UHFFFAOYSA-N	-1	0	294.354	3.496	20	30		CGEDRM
C=CCSc1ccccc1C(=O)OC[C@@H](CC)C(=O)[O-]	ZINC001588879833	960489625	/nfs/dbraw/zinc/48/96/25/960489625.db2.gz	SALFMICXKRMWFZ-LLVKDONJSA-N	-1	0	294.372	3.232	20	30		CGEDRM
C=CC[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)[O-]	ZINC001588759084	960491704	/nfs/dbraw/zinc/49/17/04/960491704.db2.gz	ORYYCYMOHJMICG-SNVBAGLBSA-N	-1	0	282.752	3.338	20	30		CGEDRM
CCCC[C@H](Sc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC001595657869	960539511	/nfs/dbraw/zinc/53/95/11/960539511.db2.gz	UTPDTIFXIJKNJF-NSHDSACASA-N	-1	0	294.332	3.202	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1OC(=O)CCCCCC#N	ZINC001600018312	960540680	/nfs/dbraw/zinc/54/06/80/960540680.db2.gz	OVTUVHAHTGROEX-UHFFFAOYSA-N	-1	0	293.294	3.212	20	30		CGEDRM
C=CCCC(=O)OCc1cccc(C(=O)[O-])c1Cl	ZINC001602856197	960550841	/nfs/dbraw/zinc/55/08/41/960550841.db2.gz	YECLPUKNHVKMPY-UHFFFAOYSA-N	-1	0	268.696	3.048	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC001573467222	962128853	/nfs/dbraw/zinc/12/88/53/962128853.db2.gz	TXBVTOUJIRXKLA-UHFFFAOYSA-N	-1	0	275.348	3.122	20	30		CGEDRM
C#CCCCCCC(=O)Nc1c(F)cccc1C(=O)[O-]	ZINC001573463852	962254426	/nfs/dbraw/zinc/25/44/26/962254426.db2.gz	IVCRPUMCZQUUOO-UHFFFAOYSA-N	-1	0	277.295	3.046	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2cc(C(=O)[O-])ccc2OC)c1	ZINC001573313061	962726531	/nfs/dbraw/zinc/72/65/31/962726531.db2.gz	AVXXHEVYCJFQQZ-UHFFFAOYSA-N	-1	0	295.338	3.011	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588383673	962750763	/nfs/dbraw/zinc/75/07/63/962750763.db2.gz	HCCPWQYHMHQIRA-UHFFFAOYSA-N	-1	0	279.723	3.026	20	30		CGEDRM
C=CCCCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21	ZINC001573356979	963012040	/nfs/dbraw/zinc/01/20/40/963012040.db2.gz	HVZLMNSRYDYNRU-KRWDZBQOSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC001588450403	963270772	/nfs/dbraw/zinc/27/07/72/963270772.db2.gz	IRANVMAOJOEBDE-ZDUSSCGKSA-N	-1	0	298.427	3.025	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(=O)[O-])CCCCCC1	ZINC001588445631	963271085	/nfs/dbraw/zinc/27/10/85/963271085.db2.gz	OCXOGZAOHSTZRI-OKILXGFUSA-N	-1	0	291.391	3.121	20	30		CGEDRM
C#C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1C)c1ccc(F)cc1	ZINC001588378095	963271557	/nfs/dbraw/zinc/27/15/57/963271557.db2.gz	URKHVNKEZSSHJJ-IAGOWNOFSA-N	-1	0	297.329	3.224	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-]	ZINC001588535276	963287529	/nfs/dbraw/zinc/28/75/29/963287529.db2.gz	GRSSZJGHYRGGGP-BLLLJJGKSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(C)C[C@H](Nc1cc(Cl)nc(C2CCC2)n1)C(=O)[O-]	ZINC001588555984	963288223	/nfs/dbraw/zinc/28/82/23/963288223.db2.gz	YVYAMDJDHVTUAW-JTQLQIEISA-N	-1	0	295.770	3.229	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC001588606332	963292025	/nfs/dbraw/zinc/29/20/25/963292025.db2.gz	XHWGZHOVDXHOHM-UKRRQHHQSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C	ZINC001588606647	963293230	/nfs/dbraw/zinc/29/32/30/963293230.db2.gz	CNDOPRQFUQDHKZ-OLZOCXBDSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588682054	963296277	/nfs/dbraw/zinc/29/62/77/963296277.db2.gz	IOILTMRHLATBEY-MRXNPFEDSA-N	-1	0	275.348	3.488	20	30		CGEDRM
C=C[C@@H](SCc1cccc(OC(F)F)c1)C(=O)[O-]	ZINC001588714636	963307553	/nfs/dbraw/zinc/30/75/53/963307553.db2.gz	JUKNYMCKGLQNST-SNVBAGLBSA-N	-1	0	274.288	3.160	20	30		CGEDRM
C=CC[C@@H](C(=O)[O-])N1CC[C@@H](CCOC)c2ccccc21	ZINC001588729492	963310953	/nfs/dbraw/zinc/31/09/53/963310953.db2.gz	RCKUJZMFQTXWOW-BBRMVZONSA-N	-1	0	289.375	3.046	20	30		CGEDRM
C=CC[C@@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1	ZINC001588756389	963312300	/nfs/dbraw/zinc/31/23/00/963312300.db2.gz	KLQBODGJWFJMJZ-CQSZACIVSA-N	-1	0	285.299	3.187	20	30		CGEDRM
C=CC[C@@H](Nc1cccc(NC(=O)CCC)c1C)C(=O)[O-]	ZINC001588751103	963312700	/nfs/dbraw/zinc/31/27/00/963312700.db2.gz	KGCPTNVQGSSVFH-CQSZACIVSA-N	-1	0	290.363	3.175	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1	ZINC001588772610	963313711	/nfs/dbraw/zinc/31/37/11/963313711.db2.gz	JUJCIKQMFRNURE-LBPRGKRZSA-N	-1	0	288.347	3.123	20	30		CGEDRM
CC(C)(C#N)CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-]	ZINC001589553901	964001858	/nfs/dbraw/zinc/00/18/58/964001858.db2.gz	MRLSYBQBHXLHBI-UHFFFAOYSA-N	-1	0	298.701	3.056	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC001588440764	964043727	/nfs/dbraw/zinc/04/37/27/964043727.db2.gz	POPJOTCTTJQSIG-UHFFFAOYSA-N	-1	0	279.361	3.277	20	30		CGEDRM
C#CCCCCC(=O)Nc1c(CC)cccc1C(=O)[O-]	ZINC001588440883	964046461	/nfs/dbraw/zinc/04/64/61/964046461.db2.gz	VRVSHASIOITNOB-UHFFFAOYSA-N	-1	0	273.332	3.079	20	30		CGEDRM
C#CCCCCCCOC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588441828	964054347	/nfs/dbraw/zinc/05/43/47/964054347.db2.gz	KQKOZIXNMNBHMH-ZIAGYGMSSA-N	-1	0	280.364	3.004	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC000395515289	972802109	/nfs/dbraw/zinc/80/21/09/972802109.db2.gz	RWIIREZBPHQDLS-UHFFFAOYSA-N	-1	0	276.336	3.027	20	30		CGEDRM
N#CCc1ccc(CN2CCc3ccc(C(=O)[O-])cc32)cc1	ZINC000399021445	973188265	/nfs/dbraw/zinc/18/82/65/973188265.db2.gz	IEHFHSAIFSTUCW-UHFFFAOYSA-N	-1	0	292.338	3.014	20	30		CGEDRM
C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(OCC#N)cc1	ZINC001592446244	978123216	/nfs/dbraw/zinc/12/32/16/978123216.db2.gz	VEKGWQHOBQJWHG-GFCCVEGCSA-N	-1	0	290.363	3.280	20	30		CGEDRM
CCC(CC)CN=Nc1cccc(C(=O)[O-])c1F	ZINC001595029746	979160738	/nfs/dbraw/zinc/16/07/38/979160738.db2.gz	FODUKTRUWAQHOS-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CCCCCCCNC(=O)NCc1ccc(C(=O)[O-])s1	ZINC001595704407	982274363	/nfs/dbraw/zinc/27/43/63/982274363.db2.gz	LJIRTNWVVGGOEN-UHFFFAOYSA-N	-1	0	298.408	3.216	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001595705430	982285771	/nfs/dbraw/zinc/28/57/71/982285771.db2.gz	ZQTRAPISXMGBQO-KBXIAJHMSA-N	-1	0	295.423	3.162	20	30		CGEDRM
CC[C@H](C)[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)[O-]	ZINC001594922373	982476344	/nfs/dbraw/zinc/47/63/44/982476344.db2.gz	YPOIHJOWTSTVID-SWLSCSKDSA-N	-1	0	290.363	3.280	20	30		CGEDRM
CCc1cccnc1C(C)=NNc1cccc(C(=O)[O-])c1C	ZINC001597621822	988553487	/nfs/dbraw/zinc/55/34/87/988553487.db2.gz	HLKKDOUFHYIJQS-UHFFFAOYSA-N	-1	0	297.358	3.487	20	30		CGEDRM
CCc1oc(C=NNc2cc(C)ccc2F)cc1C(=O)[O-]	ZINC001597793055	989341168	/nfs/dbraw/zinc/34/11/68/989341168.db2.gz	SLEZGMGVISFYJV-UHFFFAOYSA-N	-1	0	290.294	3.434	20	30		CGEDRM
CC(C)CON=C1CCC[C@H](CCCC(=O)[O-])C1	ZINC001591397307	992467884	/nfs/dbraw/zinc/46/78/84/992467884.db2.gz	VERCNGXIMISDDZ-GFCCVEGCSA-N	-1	0	255.358	3.460	20	30		CGEDRM
C[C@@H](S[C@@H](C#N)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001593656104	996022453	/nfs/dbraw/zinc/02/24/53/996022453.db2.gz	QXFJNOXTOHCMDR-XCBNKYQSSA-N	-1	0	255.726	3.111	20	30		CGEDRM
C[C@H](S[C@H](C#N)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001593656103	996022671	/nfs/dbraw/zinc/02/26/71/996022671.db2.gz	QXFJNOXTOHCMDR-OIBJUYFYSA-N	-1	0	255.726	3.111	20	30		CGEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C\c1ccc(C(=O)[O-])o1	ZINC001594120298	998267097	/nfs/dbraw/zinc/26/70/97/998267097.db2.gz	DFPVRFRCCHGUTR-PGEKAQRJSA-N	-1	0	268.268	3.361	20	30		CGEDRM
CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000329101648	529536434	/nfs/dbraw/zinc/53/64/34/529536434.db2.gz	NCUHIEXJBUUFTB-ABAIWWIYSA-N	-1	0	286.335	3.202	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(NCCCCCC(=O)[O-])n1	ZINC000591326620	346915780	/nfs/dbraw/zinc/91/57/80/346915780.db2.gz	CYRBXSLDQLXPAB-UHFFFAOYSA-N	-1	0	289.379	3.308	20	30		CGEDRM
N#Cc1ccc(CN=c2nc(C3CCCC3)[n-]s2)cc1	ZINC000591458301	346924628	/nfs/dbraw/zinc/92/46/28/346924628.db2.gz	CTFHMDRACOPPHK-UHFFFAOYSA-N	-1	0	284.388	3.101	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2)c(Cl)c1	ZINC000169247225	232265772	/nfs/dbraw/zinc/26/57/72/232265772.db2.gz	JLLDWDIVWWITSD-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)c(C)o2)n1	ZINC000128571020	346041587	/nfs/dbraw/zinc/04/15/87/346041587.db2.gz	VWGKOTZILODGIH-SNVBAGLBSA-N	-1	0	260.318	3.151	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000183128697	346257366	/nfs/dbraw/zinc/25/73/66/346257366.db2.gz	SYZNIVWJOFOGAU-JTQLQIEISA-N	-1	0	289.360	3.361	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[O-]	ZINC000189755693	232471677	/nfs/dbraw/zinc/47/16/77/232471677.db2.gz	KXZFODIFDCYXEI-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
N#CCCCCC(=O)Nc1cccc(Cl)c1[O-]	ZINC000594337521	347169936	/nfs/dbraw/zinc/16/99/36/347169936.db2.gz	WWOICTDAILUJQV-UHFFFAOYSA-N	-1	0	252.701	3.068	20	30		CGEDRM
N#Cc1[n-]c(=NCCOC2CCCCCC2)sc1Cl	ZINC000596129023	347386039	/nfs/dbraw/zinc/38/60/39/347386039.db2.gz	CMKFDSRHINZLQR-UHFFFAOYSA-N	-1	0	299.827	3.241	20	30		CGEDRM
N#C[C@@H](Sc1n[n-]c(=NC2CCCCC2)s1)C1CC1	ZINC000601068508	347862833	/nfs/dbraw/zinc/86/28/33/347862833.db2.gz	FWQQZEUWEFWTNX-LLVKDONJSA-N	-1	0	294.449	3.099	20	30		CGEDRM
Cc1[n-]n(-c2cc(F)cc(Cl)c2)c(=O)c1CCC#N	ZINC000601939901	347927121	/nfs/dbraw/zinc/92/71/21/347927121.db2.gz	POGMARZDKVEXNB-GFCCVEGCSA-N	-1	0	279.702	3.122	20	30		CGEDRM
Cc1[n-]n(C2CCC(C)(C)CC2)c(=O)c1CCC#N	ZINC000601955148	347929416	/nfs/dbraw/zinc/92/94/16/347929416.db2.gz	TWRQRFPWEHAXHK-CYBMUJFWSA-N	-1	0	261.369	3.093	20	30		CGEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1Cl	ZINC000601985608	347931358	/nfs/dbraw/zinc/93/13/58/347931358.db2.gz	BPYHHXKJROUDER-AWEZNQCLSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CC(C)[C@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601932848	347925854	/nfs/dbraw/zinc/92/58/54/347925854.db2.gz	UQQUJMQAZHODOZ-DZGCQCFKSA-N	-1	0	281.359	3.333	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CC/C=C\c1ccccc1)C(=O)[O-]	ZINC000630324611	350824142	/nfs/dbraw/zinc/82/41/42/350824142.db2.gz	GBBQBJAPEWDTPV-IZIDJEDMSA-N	-1	0	287.359	3.016	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634927758	351604817	/nfs/dbraw/zinc/60/48/17/351604817.db2.gz	XZHRQTIHPHFDNM-CHWSQXEVSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)C(C)(C)CCC(=O)[O-])CCCC1(C)C	ZINC000634936264	351605977	/nfs/dbraw/zinc/60/59/77/351605977.db2.gz	DUAQIYPSRNCGAE-ZDUSSCGKSA-N	-1	0	295.423	3.471	20	30		CGEDRM
CC[C@H](C)CONC(=O)Nc1ccc(C#N)cc1Cl	ZINC000292547330	198327621	/nfs/dbraw/zinc/32/76/21/198327621.db2.gz	AQZPCAYANUKGDZ-VIFPVBQESA-N	-1	0	281.743	3.311	20	30		CGEDRM
CCCCCCCNC(=O)c1ccccc1C(=O)[O-]	ZINC000100037568	370270250	/nfs/dbraw/zinc/27/02/50/370270250.db2.gz	TVXLCHMUMZHTCR-UHFFFAOYSA-N	-1	0	263.337	3.085	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1nc2ccccc2s1	ZINC000429685940	372375146	/nfs/dbraw/zinc/37/51/46/372375146.db2.gz	XTOSZGAXYHXTPE-MRVPVSSYSA-N	-1	0	285.353	3.243	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccnc2)s1	ZINC000430595270	372390799	/nfs/dbraw/zinc/39/07/99/372390799.db2.gz	TXGVJMDKHSZYPZ-LLVKDONJSA-N	-1	0	285.372	3.326	20	30		CGEDRM
N#Cc1ccccc1SCc1nc(=O)c2sccc2[n-]1	ZINC000172681295	373012712	/nfs/dbraw/zinc/01/27/12/373012712.db2.gz	ZLLGDAUDACCWAE-UHFFFAOYSA-N	-1	0	299.380	3.149	20	30		CGEDRM
C=CCN=c1[n-]nc(SCc2cc(F)cc(F)c2)s1	ZINC000445592070	373314492	/nfs/dbraw/zinc/31/44/92/373314492.db2.gz	OPLQOEKHDRZQFP-UHFFFAOYSA-N	-1	0	299.371	3.128	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000450383875	374093323	/nfs/dbraw/zinc/09/33/23/374093323.db2.gz	AETWHHGXQMJDPD-UHFFFAOYSA-N	-1	0	290.319	3.375	20	30		CGEDRM
C=CC(C)(C)C(=O)N=c1nc(-c2sccc2C)[n-]s1	ZINC000450699121	374172644	/nfs/dbraw/zinc/17/26/44/374172644.db2.gz	KCRLEGZERBRAQY-UHFFFAOYSA-N	-1	0	293.417	3.148	20	30		CGEDRM
CC(C)Oc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188304264	375194302	/nfs/dbraw/zinc/19/43/02/375194302.db2.gz	FUXWHDCCQCMNJE-UHFFFAOYSA-N	-1	0	296.326	3.303	20	30		CGEDRM
CCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1	ZINC000188341272	375200044	/nfs/dbraw/zinc/20/00/44/375200044.db2.gz	WWJMEABDKXIJDW-UHFFFAOYSA-N	-1	0	296.326	3.223	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])o1	ZINC000335937023	375553701	/nfs/dbraw/zinc/55/37/01/375553701.db2.gz	YWLBFOXKFJXUEI-UHFFFAOYSA-N	-1	0	297.097	3.416	20	30		CGEDRM
N#CCC1CC[NH+](Cc2cccc(O)c2Cl)CC1	ZINC000336408117	375791610	/nfs/dbraw/zinc/79/16/10/375791610.db2.gz	DBQOYMLZRBVHQE-UHFFFAOYSA-N	-1	0	264.756	3.171	20	30		CGEDRM
C=CCCS(=O)(=O)[N-]c1nn(C2CCCCC2)cc1C	ZINC000342434612	377648855	/nfs/dbraw/zinc/64/88/55/377648855.db2.gz	WGTOLZBLRKTDFE-UHFFFAOYSA-N	-1	0	297.424	3.015	20	30		CGEDRM
O=C([N-]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F	ZINC000263692766	377949866	/nfs/dbraw/zinc/94/98/66/377949866.db2.gz	QCWGCINXTMYFBZ-UHFFFAOYSA-N	-1	0	289.150	3.023	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1cc(CCC)c(C)s1)C(=O)[O-]	ZINC000263010475	377913732	/nfs/dbraw/zinc/91/37/32/377913732.db2.gz	XEPMUOOPCVMZCD-LBPRGKRZSA-N	-1	0	295.404	3.158	20	30		CGEDRM
Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(C#N)o1	ZINC000346559249	378620039	/nfs/dbraw/zinc/62/00/39/378620039.db2.gz	XLFLCSVBIJGMNR-UHFFFAOYSA-N	-1	0	293.282	3.367	20	30		CGEDRM
CN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc2cc[nH]c2c1	ZINC000352397596	379795475	/nfs/dbraw/zinc/79/54/75/379795475.db2.gz	IHPDDNOMFIGPPB-UHFFFAOYSA-N	-1	0	291.310	3.022	20	30		CGEDRM
C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC=CCC1	ZINC000331315713	335055407	/nfs/dbraw/zinc/05/54/07/335055407.db2.gz	DAQPEJDWAQVVLT-CQSZACIVSA-N	-1	0	276.292	3.104	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1cccc(C)c1	ZINC000042343159	391987073	/nfs/dbraw/zinc/98/70/73/391987073.db2.gz	ADYKUNHSIWYYGH-CMDGGOBGSA-N	-1	0	281.377	3.095	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C	ZINC000263153973	131284591	/nfs/dbraw/zinc/28/45/91/131284591.db2.gz	UYFPMGHXOKPAHI-WFASDCNBSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C	ZINC000263153966	131284592	/nfs/dbraw/zinc/28/45/92/131284592.db2.gz	UYFPMGHXOKPAHI-DOMZBBRYSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000263236006	131287213	/nfs/dbraw/zinc/28/72/13/131287213.db2.gz	CVXYLTANZNLPEW-MELADBBJSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCS(=O)(=O)Nc1ccccc1SCCC#N	ZINC000120197229	392400072	/nfs/dbraw/zinc/40/00/72/392400072.db2.gz	YWBYZVRERSIPOD-UHFFFAOYSA-N	-1	0	296.417	3.010	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)co1	ZINC000647379307	392712733	/nfs/dbraw/zinc/71/27/33/392712733.db2.gz	ZWPHXTFSOKBKHS-LLVKDONJSA-N	-1	0	272.329	3.412	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)o1	ZINC000679648629	543653280	/nfs/dbraw/zinc/65/32/80/543653280.db2.gz	XNIRAQDTQVFCFE-ZDUSSCGKSA-N	-1	0	291.310	3.330	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)co1	ZINC000681351721	543782327	/nfs/dbraw/zinc/78/23/27/543782327.db2.gz	ICRSFCTVNYIGDP-GFCCVEGCSA-N	-1	0	291.310	3.275	20	30		CGEDRM
C[C@]1(C([O-])=Nc2nc3ccsc3s2)CCOC1	ZINC000329437525	227513228	/nfs/dbraw/zinc/51/32/28/227513228.db2.gz	MGJNVDVQXBXDMO-NSHDSACASA-N	-1	0	268.363	3.372	20	30		CGEDRM
C=CCCC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000659167561	418963347	/nfs/dbraw/zinc/96/33/47/418963347.db2.gz	XTRDEZJWACPCFB-UONOGXRCSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-]	ZINC000656491551	419178141	/nfs/dbraw/zinc/17/81/41/419178141.db2.gz	ORSARPPFYMYIHC-KKUMJFAQSA-N	-1	0	293.407	3.129	20	30		CGEDRM
CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccccc2F)C1(C)C	ZINC000080252418	260178935	/nfs/dbraw/zinc/17/89/35/260178935.db2.gz	AMWZIKICBBBTPY-UHFFFAOYSA-N	-1	0	299.367	3.153	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)s1	ZINC000042317524	260614894	/nfs/dbraw/zinc/61/48/94/260614894.db2.gz	OLJJMQIPXVDGLX-UHFFFAOYSA-N	-1	0	287.406	3.282	20	30		CGEDRM
CC(=O)c1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000340855190	263309678	/nfs/dbraw/zinc/30/96/78/263309678.db2.gz	VOPMWPSMJKNZSE-CYBMUJFWSA-N	-1	0	284.340	3.144	20	30		CGEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000435772825	268103163	/nfs/dbraw/zinc/10/31/63/268103163.db2.gz	RRDWMDBCOBUKRM-LBPRGKRZSA-N	-1	0	291.266	3.091	20	30		CGEDRM
N#CCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000291928253	328267431	/nfs/dbraw/zinc/26/74/31/328267431.db2.gz	OBFUPUWWWUGTJT-UHFFFAOYSA-N	-1	0	273.119	3.331	20	30		CGEDRM
CC(=Cc1cccc(C2CC2)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000573473356	322390070	/nfs/dbraw/zinc/39/00/70/322390070.db2.gz	HKLYCLZJAGCFQB-DHZHZOJOSA-N	-1	0	291.354	3.388	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000177764759	329186795	/nfs/dbraw/zinc/18/67/95/329186795.db2.gz	FHAZZFNUWFFKRE-VIFPVBQESA-N	-1	0	275.333	3.053	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ns1	ZINC000447632604	330873691	/nfs/dbraw/zinc/87/36/91/330873691.db2.gz	MCIYKXULTZLTKE-CYBMUJFWSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1sccc1C(C)C)C(=O)[O-]	ZINC000448996335	330890577	/nfs/dbraw/zinc/89/05/77/330890577.db2.gz	SDGNLWAXPRQDAQ-NSHDSACASA-N	-1	0	281.377	3.021	20	30		CGEDRM
C=CCN=c1[n-]nc(SCCC(C)(C)CC)s1	ZINC000463041644	331338191	/nfs/dbraw/zinc/33/81/91/331338191.db2.gz	ZQMJDUZZRPQSPX-UHFFFAOYSA-N	-1	0	271.455	3.476	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1	ZINC000492259929	332389550	/nfs/dbraw/zinc/38/95/50/332389550.db2.gz	QRTZBAUFEMXVLU-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CCCc1ncc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000076763495	334088595	/nfs/dbraw/zinc/08/85/95/334088595.db2.gz	ODMCROAZYSHNRD-SECBINFHSA-N	-1	0	291.401	3.351	20	30		CGEDRM
Cc1ccncc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000418903513	518191280	/nfs/dbraw/zinc/19/12/80/518191280.db2.gz	RVZQSIOHGFKELG-UHFFFAOYSA-N	-1	0	298.390	3.094	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000237743762	534570572	/nfs/dbraw/zinc/57/05/72/534570572.db2.gz	HBANMGBTQAKUGG-UHFFFAOYSA-N	-1	0	273.332	3.400	20	30		CGEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1C	ZINC000192769585	527207171	/nfs/dbraw/zinc/20/71/71/527207171.db2.gz	QSWQWRLJOPGOOA-AWEZNQCLSA-N	-1	0	298.367	3.453	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000748441052	571677092	/nfs/dbraw/zinc/67/70/92/571677092.db2.gz	VGJJTPYXRDUTLB-OWOJBTEDSA-N	-1	0	289.337	3.276	20	30		CGEDRM
CCn1c(C)cc(CN=Nc2ccccc2C(=O)[O-])c1C	ZINC000728226177	571796183	/nfs/dbraw/zinc/79/61/83/571796183.db2.gz	KDKFJRITLDNXHA-UHFFFAOYSA-N	-1	0	285.347	3.269	20	30		CGEDRM
CCN(Cc1nc(-c2ccc(C#N)cc2)cs1)C(=O)[O-]	ZINC000739445271	572414735	/nfs/dbraw/zinc/41/47/35/572414735.db2.gz	QDPLGMXDAFJIJH-UHFFFAOYSA-N	-1	0	287.344	3.182	20	30		CGEDRM
COc1ccc(O)c(C=Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000739925361	572427168	/nfs/dbraw/zinc/42/71/68/572427168.db2.gz	MOKSRTXOEJRKRF-UHFFFAOYSA-N	-1	0	286.287	3.241	20	30		CGEDRM
Cc1cc(C)cc(N=NC2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000740067997	572431190	/nfs/dbraw/zinc/43/11/90/572431190.db2.gz	ZHVPEVAEYHTRTR-GFCCVEGCSA-N	-1	0	275.352	3.139	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCOc3ccccc3C2=O)o1	ZINC000740122411	572433423	/nfs/dbraw/zinc/43/34/23/572433423.db2.gz	CDVMPZRHCYSYMZ-KTKRTIGZSA-N	-1	0	284.267	3.027	20	30		CGEDRM
N#Cc1ccc(SCC2CCN(C(=O)[O-])CC2)cc1	ZINC000740320288	572439512	/nfs/dbraw/zinc/43/95/12/572439512.db2.gz	JZYVGEHEUAOBLP-UHFFFAOYSA-N	-1	0	276.361	3.040	20	30		CGEDRM
N#CCCCCOC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000740308289	572439677	/nfs/dbraw/zinc/43/96/77/572439677.db2.gz	XEUAMHNJEXUZTH-UHFFFAOYSA-N	-1	0	296.710	3.281	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@@H]2Cc2ccccc2)c1	ZINC000741463431	572499632	/nfs/dbraw/zinc/49/96/32/572499632.db2.gz	FNBIEWIINYTKGV-REUKGHOCSA-N	-1	0	296.326	3.351	20	30		CGEDRM
CCc1ccccc1NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000733203514	572542554	/nfs/dbraw/zinc/54/25/54/572542554.db2.gz	NTMYHVRNVCNZQV-UHFFFAOYSA-N	-1	0	298.342	3.158	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC(C2CC2)C2CC2)c1	ZINC000743044920	572635815	/nfs/dbraw/zinc/63/58/15/572635815.db2.gz	UHTKTRJNEGHJJS-LZYBPNLTSA-N	-1	0	274.320	3.156	20	30		CGEDRM
CS[C@@H]1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000743043593	572636150	/nfs/dbraw/zinc/63/61/50/572636150.db2.gz	XKMKJBZXDQLJHF-KMDONFRSSA-N	-1	0	280.349	3.003	20	30		CGEDRM
CCCCCCCCCCC(=O)[N-]S(=O)(=O)C(C)C	ZINC000743496218	572666897	/nfs/dbraw/zinc/66/68/97/572666897.db2.gz	ZSIAHXPKLLIPFU-UHFFFAOYSA-N	-1	0	291.457	3.372	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2ccc(NC(=O)[O-])cc2)c1	ZINC000736091424	572768182	/nfs/dbraw/zinc/76/81/82/572768182.db2.gz	RQBCEGHCHUSXQM-UHFFFAOYSA-N	-1	0	294.310	3.034	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccc(C(=O)[O-])cc2)c1	ZINC000736091627	572768336	/nfs/dbraw/zinc/76/83/36/572768336.db2.gz	ZXLBZPZSVJLRHM-UHFFFAOYSA-N	-1	0	265.312	3.003	20	30		CGEDRM
C=CCCC(=O)Oc1c(C(=O)[O-])ccc2ccccc21	ZINC000736097632	572769168	/nfs/dbraw/zinc/76/91/68/572769168.db2.gz	OJDBTPPBYBSBQN-UHFFFAOYSA-N	-1	0	270.284	3.410	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(F)cc2F)c1	ZINC000745625555	572827337	/nfs/dbraw/zinc/82/73/37/572827337.db2.gz	XOJNOEIUERIXLL-CAOOACKPSA-N	-1	0	292.241	3.198	20	30		CGEDRM
CCCCCCCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000736982817	572832462	/nfs/dbraw/zinc/83/24/62/572832462.db2.gz	CCPWQGYJQCMMLQ-CQSZACIVSA-N	-1	0	298.427	3.243	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccsc1	ZINC000749098876	572989132	/nfs/dbraw/zinc/98/91/32/572989132.db2.gz	IPCXTELPKSFTAU-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
CC(=NN[C@H](C)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749607999	573022764	/nfs/dbraw/zinc/02/27/64/573022764.db2.gz	FZYWDHFIDJOWMQ-LLVKDONJSA-N	-1	0	299.330	3.375	20	30		CGEDRM
C[C@H]1C(=NNC2CCC(F)(F)CC2)CC[C@@H]1CC(=O)[O-]	ZINC000901340794	620857322	/nfs/dbraw/zinc/85/73/22/620857322.db2.gz	NISRVQVRRYSZEO-NXEZZACHSA-N	-1	0	288.338	3.031	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000765823693	598201681	/nfs/dbraw/zinc/20/16/81/598201681.db2.gz	HCYCFIYMJKNMQG-FPLPWBNLSA-N	-1	0	277.279	3.153	20	30		CGEDRM
N#Cc1ccc(OCc2cc(C(=O)[O-])co2)c(Cl)c1	ZINC000051329496	599803610	/nfs/dbraw/zinc/80/36/10/599803610.db2.gz	OZELFUCJCINTMW-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000163141542	600510159	/nfs/dbraw/zinc/51/01/59/600510159.db2.gz	OWHTWYGIMYCJJN-QMMMGPOBSA-N	-1	0	282.727	3.124	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1OCc1cc(C(=O)[O-])co1	ZINC000088153248	600805055	/nfs/dbraw/zinc/80/50/55/600805055.db2.gz	VZKOPQNGOXPCLE-UHFFFAOYSA-N	-1	0	271.272	3.045	20	30		CGEDRM
C=CCOc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000825699184	600932648	/nfs/dbraw/zinc/93/26/48/600932648.db2.gz	SQBSBIZMZIZVPE-UHFFFAOYSA-N	-1	0	298.294	3.169	20	30		CGEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827851160	601132781	/nfs/dbraw/zinc/13/27/81/601132781.db2.gz	AVHKXTSIZMSXTJ-LLVKDONJSA-N	-1	0	295.294	3.174	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Cc3cc(Cl)ccc3C2=O)[nH]1	ZINC000833312784	601332865	/nfs/dbraw/zinc/33/28/65/601332865.db2.gz	XPFYVLIZNLZSOJ-VQHVLOKHSA-N	-1	0	287.702	3.189	20	30		CGEDRM
C=CCN(Cc1ccc(C(=O)[O-])o1)c1ccccc1	ZINC000825682188	601543548	/nfs/dbraw/zinc/54/35/48/601543548.db2.gz	SAPVZUKQYQNWGU-UHFFFAOYSA-N	-1	0	257.289	3.170	20	30		CGEDRM
CC(C)(C/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000826551170	601612616	/nfs/dbraw/zinc/61/26/16/601612616.db2.gz	OTTAQKSRURDYRJ-MFOYZWKCSA-N	-1	0	271.316	3.075	20	30		CGEDRM
Cc1oc(COc2cc(C#N)ccc2C)cc1C(=O)[O-]	ZINC000232309216	602313819	/nfs/dbraw/zinc/31/38/19/602313819.db2.gz	ZGVLRZLKZZYANO-UHFFFAOYSA-N	-1	0	271.272	3.045	20	30		CGEDRM
O=C([O-])N1CCc2cccc(C=NOCc3ccccc3)c21	ZINC000832079183	603821129	/nfs/dbraw/zinc/82/11/29/603821129.db2.gz	FRDQRVYEGHPAQH-UHFFFAOYSA-N	-1	0	296.326	3.278	20	30		CGEDRM
CCc1ccccc1N=NCC1CCN(C(=O)[O-])CC1	ZINC000827604716	603857258	/nfs/dbraw/zinc/85/72/58/603857258.db2.gz	RELGPEYSYWDMBY-UHFFFAOYSA-N	-1	0	275.352	3.037	20	30		CGEDRM
CC(C)(C#N)CCCNc1cccc2c1CCN2C(=O)[O-]	ZINC000823737360	604270594	/nfs/dbraw/zinc/27/05/94/604270594.db2.gz	GKYONASOOSUFTP-UHFFFAOYSA-N	-1	0	287.363	3.469	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(Cl)nc2)cc1	ZINC000833309943	604628083	/nfs/dbraw/zinc/62/80/83/604628083.db2.gz	JPQODUZOGVECMM-LREOWRDNSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CC(C)CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccn1	ZINC000763370717	604666692	/nfs/dbraw/zinc/66/66/92/604666692.db2.gz	UQWSCGJVFHPPIV-UHFFFAOYSA-N	-1	0	298.346	3.037	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1cc(C)[nH]c1C(=O)[O-])c1ccccc1	ZINC000833370603	604739960	/nfs/dbraw/zinc/73/99/60/604739960.db2.gz	FFLNUKVDOGODBY-LBPRGKRZSA-N	-1	0	298.342	3.320	20	30		CGEDRM
C=CCCOc1cc(Br)cc(C(=O)[O-])c1	ZINC000227681757	604793713	/nfs/dbraw/zinc/79/37/13/604793713.db2.gz	SPGBPAHMWMNMEW-UHFFFAOYSA-N	-1	0	271.110	3.102	20	30		CGEDRM
C=CCC[C@H](C)OC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833373116	604991633	/nfs/dbraw/zinc/99/16/33/604991633.db2.gz	GEHJJYUQSRZBKU-JTQLQIEISA-N	-1	0	263.293	3.288	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000812441992	605101013	/nfs/dbraw/zinc/10/10/13/605101013.db2.gz	LQICKAUAFNONPD-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C=C(C)COc1cccc(NCc2ccc(C(=O)[O-])[nH]2)c1	ZINC000833369775	605112960	/nfs/dbraw/zinc/11/29/60/605112960.db2.gz	DWXVWTYXCAWYDX-UHFFFAOYSA-N	-1	0	286.331	3.280	20	30		CGEDRM
CC(C)(C)CCNN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000833429215	605262799	/nfs/dbraw/zinc/26/27/99/605262799.db2.gz	FPDZOFOCSTXYHS-UHFFFAOYSA-N	-1	0	287.363	3.226	20	30		CGEDRM
CCOc1ccc(C=NOCc2ccccc2C(=O)[O-])cc1	ZINC000833664332	605353522	/nfs/dbraw/zinc/35/35/22/605353522.db2.gz	SDYUECMEUVDGFQ-UHFFFAOYSA-N	-1	0	299.326	3.334	20	30		CGEDRM
N#CCN(Cc1cccc(NC(=O)[O-])c1)C1CCCC1	ZINC000833967447	605599216	/nfs/dbraw/zinc/59/92/16/605599216.db2.gz	RJDNYQCGWOGDQQ-UHFFFAOYSA-N	-1	0	273.336	3.045	20	30		CGEDRM
C#CCCCCCC(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833362070	605632913	/nfs/dbraw/zinc/63/29/13/605632913.db2.gz	YDJGOIMXYMIOOG-UHFFFAOYSA-N	-1	0	279.361	3.277	20	30		CGEDRM
C[C@@H](C#N)Oc1ccccc1NCc1ccc(C(=O)[O-])cc1	ZINC000819874498	605729209	/nfs/dbraw/zinc/72/92/09/605729209.db2.gz	LLDUMZPVTOBAHL-LBPRGKRZSA-N	-1	0	296.326	3.288	20	30		CGEDRM
C#CCCCCC(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC000833362650	605819200	/nfs/dbraw/zinc/81/92/00/605819200.db2.gz	CBEGZHZLEQJJBK-UHFFFAOYSA-N	-1	0	294.734	3.275	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000899544800	620708868	/nfs/dbraw/zinc/70/88/68/620708868.db2.gz	RUZPHZCGDILSOC-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
O=C(/C=C\c1cccnc1Cl)c1cc(F)ccc1[O-]	ZINC000255169183	618029485	/nfs/dbraw/zinc/02/94/85/618029485.db2.gz	GBYVHXWHAAMMEZ-HYXAFXHYSA-N	-1	0	277.682	3.476	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C)C1CC1	ZINC000049501657	617611324	/nfs/dbraw/zinc/61/13/24/617611324.db2.gz	HVRNCRGPUXXWSQ-VURMDHGXSA-N	-1	0	299.417	3.366	20	30		CGEDRM
Cc1oc(C)c(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1C	ZINC000049513688	617613814	/nfs/dbraw/zinc/61/38/14/617613814.db2.gz	ITZDADCUXORAGR-UHFFFAOYSA-N	-1	0	299.392	3.172	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000890811383	617868414	/nfs/dbraw/zinc/86/84/14/617868414.db2.gz	CLOVUQXIBJJCSL-UHFFFAOYSA-N	-1	0	269.291	3.099	20	30		CGEDRM
O=C(/C=C\c1ccc(O)cc1)c1cc(F)ccc1[O-]	ZINC000255237011	618121674	/nfs/dbraw/zinc/12/16/74/618121674.db2.gz	RBSOUVSGIQNYRR-CLTKARDFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
CCn1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cn1	ZINC000156679587	618123508	/nfs/dbraw/zinc/12/35/08/618123508.db2.gz	KPSAXPCUFHWLQY-HWKANZROSA-N	-1	0	276.723	3.158	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(Cl)nc2)cc1	ZINC000255390841	618253576	/nfs/dbraw/zinc/25/35/76/618253576.db2.gz	PVKHYWZUMCRJBJ-CLTKARDFSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CC[C@@H](CNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000900976208	620822560	/nfs/dbraw/zinc/82/25/60/620822560.db2.gz	JPUKXHDNKSKPKR-QMMMGPOBSA-N	-1	0	268.263	3.019	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000900978955	620822132	/nfs/dbraw/zinc/82/21/32/620822132.db2.gz	UKXJCEOFOSLXSK-KOLCDFICSA-N	-1	0	298.264	3.242	20	30		CGEDRM
COCc1ccc(/C=C\C(=O)c2ccc(OC)cc2[O-])cc1	ZINC000255543348	618662078	/nfs/dbraw/zinc/66/20/78/618662078.db2.gz	CTCAMSCCPKQTLJ-YFHOEESVSA-N	-1	0	298.338	3.443	20	30		CGEDRM
Cc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1C	ZINC000176817690	618739838	/nfs/dbraw/zinc/73/98/38/618739838.db2.gz	WTOXQPNCVZOXQV-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cnc3ccccn23)c([O-])c1	ZINC000255669106	618774662	/nfs/dbraw/zinc/77/46/62/618774662.db2.gz	JKCWAACULBYNSU-VURMDHGXSA-N	-1	0	278.311	3.244	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cnc(C)s2)n1	ZINC000255672948	618775084	/nfs/dbraw/zinc/77/50/84/618775084.db2.gz	NLSIPOZVGGKZTA-BYCRGOAPSA-N	-1	0	289.385	3.106	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1	ZINC000221619303	618874303	/nfs/dbraw/zinc/87/43/03/618874303.db2.gz	CPNQYNDHZQPVGC-MEJMFZKBSA-N	-1	0	268.341	3.341	20	30		CGEDRM
CC(=NOC1CCCCC1)c1ccc(CC(=O)[O-])cc1	ZINC000777460837	619155191	/nfs/dbraw/zinc/15/51/91/619155191.db2.gz	YKZHHLPHLCZSLE-UHFFFAOYSA-N	-1	0	275.348	3.387	20	30		CGEDRM
C=CCCCCCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000314404471	619227961	/nfs/dbraw/zinc/22/79/61/619227961.db2.gz	FMUYJKYPQBYSSV-AWEZNQCLSA-N	-1	0	296.411	3.019	20	30		CGEDRM
Cc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000254485988	619397154	/nfs/dbraw/zinc/39/71/54/619397154.db2.gz	KTPUKNLNMJTXKC-UHFFFAOYSA-N	-1	0	284.344	3.391	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@@H]1CCC(C)C)C(=O)[O-]	ZINC000793055748	619676726	/nfs/dbraw/zinc/67/67/26/619676726.db2.gz	BWYOCBSPOIUILY-VXGBXAGGSA-N	-1	0	254.374	3.032	20	30		CGEDRM
C=C1CCC(C(=O)NCCCCCCCC(=O)[O-])CC1	ZINC000909464020	619749900	/nfs/dbraw/zinc/74/99/00/619749900.db2.gz	ZGLXRXFJGXHTSR-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
N#CC[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(F)(F)F	ZINC000896698731	620048555	/nfs/dbraw/zinc/04/85/55/620048555.db2.gz	KKVWZPJXAONMMR-SNVBAGLBSA-N	-1	0	296.651	3.119	20	30		CGEDRM
C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F	ZINC000840712052	620140624	/nfs/dbraw/zinc/14/06/24/620140624.db2.gz	FQYUDRXTLLNSAP-LBBJYAOWSA-N	-1	0	290.241	3.308	20	30		CGEDRM
C[C@@H](Oc1cccc(/C=C\C(=O)c2ccccc2)c1)C(=O)[O-]	ZINC000208111220	620184841	/nfs/dbraw/zinc/18/48/41/620184841.db2.gz	KGGNYBRCMVFJMS-BSYHEUMXSA-N	-1	0	296.322	3.435	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000262826534	620275236	/nfs/dbraw/zinc/27/52/36/620275236.db2.gz	FKYYSIALVRMFTE-CQSZACIVSA-N	-1	0	289.375	3.133	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(F)c(F)c2[O-])CC1	ZINC000897946726	620453200	/nfs/dbraw/zinc/45/32/00/620453200.db2.gz	WLNZCMMVWCUAHG-UHFFFAOYSA-N	-1	0	267.275	3.355	20	30		CGEDRM
C=CCc1ccc(-c2cnn([C@@H](C)CC(=O)[O-])c2)cc1	ZINC000901088501	620833181	/nfs/dbraw/zinc/83/31/81/620833181.db2.gz	XCIWPTSHBXEJJP-LBPRGKRZSA-N	-1	0	270.332	3.314	20	30		CGEDRM
O=C([O-])c1ccc2scc(C=NNC34CC(C3)C4)c2c1	ZINC000901259898	620848982	/nfs/dbraw/zinc/84/89/82/620848982.db2.gz	PGFQPAGESOBBHH-UHFFFAOYSA-N	-1	0	286.356	3.076	20	30		CGEDRM
[O-]c1c(F)cc(C=NNC2CCC(F)(F)CC2)cc1F	ZINC000901344776	620867206	/nfs/dbraw/zinc/86/72/06/620867206.db2.gz	JZOJKZDAEQYELX-UHFFFAOYSA-N	-1	0	290.260	3.172	20	30		CGEDRM
CC(C)n1cncc1/C=C1\CCc2cc(O)ccc2C1=O	ZINC000901469519	620896443	/nfs/dbraw/zinc/89/64/43/620896443.db2.gz	BOYHTGPQPBVGIH-NTUHNPAUSA-N	-1	0	282.343	3.382	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000905123284	622040039	/nfs/dbraw/zinc/04/00/39/622040039.db2.gz	DZFOWHSEVADAGF-XGUBFFRZSA-N	-1	0	293.407	3.129	20	30		CGEDRM
N#Cc1ccc(-c2ccc3c(c2)C[C@H]2[C@@H]3[C@H]2C(=O)[O-])s1	ZINC000906237068	622203307	/nfs/dbraw/zinc/20/33/07/622203307.db2.gz	FSJCPPJQYQSHPQ-CFVMTHIKSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C=CC1(CC(=O)N2CCC(CC(=O)[O-])CC2)CCCCC1	ZINC000907547173	622301154	/nfs/dbraw/zinc/30/11/54/622301154.db2.gz	BBANMOXGEONYHL-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000907718128	622309518	/nfs/dbraw/zinc/30/95/18/622309518.db2.gz	CQJQXLPTKYCLDQ-VIFPVBQESA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000909287327	622416737	/nfs/dbraw/zinc/41/67/37/622416737.db2.gz	XBBMOXYRDVXUIO-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909836038	622429709	/nfs/dbraw/zinc/42/97/09/622429709.db2.gz	ZTMDMVHYYSWYRM-BDJLRTHQSA-N	-1	0	275.348	3.416	20	30		CGEDRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-]	ZINC000156721516	622841108	/nfs/dbraw/zinc/84/11/08/622841108.db2.gz	OTIHTMOJTXPBHD-QPJJXVBHSA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C(/C=C/c1ccc(O)cc1)c1ccc(F)cc1[O-]	ZINC000156715135	622841471	/nfs/dbraw/zinc/84/14/71/622841471.db2.gz	VOXYSWZGDVGQEB-FPYGCLRLSA-N	-1	0	258.248	3.133	20	30		CGEDRM
O=C([O-])c1ccccc1C=NNc1nccc2sccc21	ZINC000915979857	624089011	/nfs/dbraw/zinc/08/90/11/624089011.db2.gz	LXIXTWZERCPDBU-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915991193	624095426	/nfs/dbraw/zinc/09/54/26/624095426.db2.gz	ZDLOEEIVKICPFQ-ZHACJKMWSA-N	-1	0	296.322	3.218	20	30		CGEDRM
C=CCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000916240679	624123680	/nfs/dbraw/zinc/12/36/80/624123680.db2.gz	KIUFXTOEYVVGHP-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(C)c1O	ZINC000916240523	624124327	/nfs/dbraw/zinc/12/43/27/624124327.db2.gz	FJGYFZJSKREZEB-UHFFFAOYSA-N	-1	0	284.315	3.153	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1	ZINC000179733629	624681782	/nfs/dbraw/zinc/68/17/82/624681782.db2.gz	HATHCIRWAOXCSW-UHFFFAOYSA-N	-1	0	296.370	3.419	20	30		CGEDRM
Cc1cccn2c(C=CC(=O)c3sccc3[O-])cnc12	ZINC000184517010	625243368	/nfs/dbraw/zinc/24/33/68/625243368.db2.gz	PBZRVJYFXKXBER-SNAWJCMRSA-N	-1	0	284.340	3.306	20	30		CGEDRM
N#Cc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000184516321	625243516	/nfs/dbraw/zinc/24/35/16/625243516.db2.gz	CBXFRAWISSMUTI-SNAWJCMRSA-N	-1	0	255.298	3.221	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1O	ZINC000184517443	625243527	/nfs/dbraw/zinc/24/35/27/625243527.db2.gz	SLHRTXKGLBBWQP-DUXPYHPUSA-N	-1	0	276.313	3.064	20	30		CGEDRM
CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1(C)C	ZINC000086055941	625981058	/nfs/dbraw/zinc/98/10/58/625981058.db2.gz	WIEKWOKRSGPNCY-STQMWFEESA-N	-1	0	299.436	3.454	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000121333042	626214024	/nfs/dbraw/zinc/21/40/24/626214024.db2.gz	ZEOSBSCZJAESQY-VMPITWQZSA-N	-1	0	267.259	3.299	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=NNCc1ccccc1	ZINC000753161559	626447022	/nfs/dbraw/zinc/44/70/22/626447022.db2.gz	IZSFYTUJIZKBPF-UHFFFAOYSA-N	-1	0	260.724	3.169	20	30		CGEDRM
O=C([O-])c1csc(C=NNCc2cccc(Cl)c2)c1	ZINC000755771469	626645341	/nfs/dbraw/zinc/64/53/41/626645341.db2.gz	UGBJEOZSJPGHJQ-UHFFFAOYSA-N	-1	0	294.763	3.223	20	30		CGEDRM
C#CC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000756845731	626737270	/nfs/dbraw/zinc/73/72/70/626737270.db2.gz	GKXBFJFFNFISKO-YAJBTMAUSA-N	-1	0	294.310	3.484	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCCCc1ccccc1	ZINC000756898916	626739533	/nfs/dbraw/zinc/73/95/33/626739533.db2.gz	HSXRWEXDCAXSPT-UHFFFAOYSA-N	-1	0	298.342	3.424	20	30		CGEDRM
COc1c(O)cccc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000757477085	626782444	/nfs/dbraw/zinc/78/24/44/626782444.db2.gz	ZJLJTZPCRCLNGN-VQHVLOKHSA-N	-1	0	284.311	3.311	20	30		CGEDRM
CC(=NOCc1ccc(F)cc1)c1ccccc1C(=O)[O-]	ZINC000758143462	626830834	/nfs/dbraw/zinc/83/08/34/626830834.db2.gz	RZLFBFOLDOXIIU-UHFFFAOYSA-N	-1	0	287.290	3.465	20	30		CGEDRM
O=C(/C=C\c1cc(Cl)c([O-])cc1Cl)c1cnccn1	ZINC000759083788	626873463	/nfs/dbraw/zinc/87/34/63/626873463.db2.gz	LLEBHPFFBCNVJK-UPHRSURJSA-N	-1	0	295.125	3.385	20	30		CGEDRM
O=C(/C=C\c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091775	626873811	/nfs/dbraw/zinc/87/38/11/626873811.db2.gz	TYZOYHUZLDIJJN-VURMDHGXSA-N	-1	0	269.256	3.197	20	30		CGEDRM
N#CC(=C([O-])c1cc2c(cccc2F)s1)c1ccncn1	ZINC000760347245	626962190	/nfs/dbraw/zinc/96/21/90/626962190.db2.gz	UKDBKDZLAKYZBE-JTQLQIEISA-N	-1	0	297.314	3.320	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F	ZINC000761744812	627058954	/nfs/dbraw/zinc/05/89/54/627058954.db2.gz	RQFUCSWYXWNSRK-UHFFFAOYSA-N	-1	0	280.633	3.388	20	30		CGEDRM
O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccco2)cc1	ZINC000762303431	627104907	/nfs/dbraw/zinc/10/49/07/627104907.db2.gz	GJLYYNFVPMREKZ-YVMONPNESA-N	-1	0	286.283	3.029	20	30		CGEDRM
CC[C@@H]1C[C@H](C)CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000769589015	627567669	/nfs/dbraw/zinc/56/76/69/627567669.db2.gz	JEZANIDVLCWSGC-GHMZBOCLSA-N	-1	0	275.352	3.394	20	30		CGEDRM
N#Cc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])ccc1F	ZINC000770572297	627627215	/nfs/dbraw/zinc/62/72/15/627627215.db2.gz	NWKDCPHXCPERIW-DJWKRKHSSA-N	-1	0	285.249	3.438	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772804635	627824669	/nfs/dbraw/zinc/82/46/69/627824669.db2.gz	YZXAQZSLQWCQMK-GORDUTHDSA-N	-1	0	273.244	3.098	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772804631	627824911	/nfs/dbraw/zinc/82/49/11/627824911.db2.gz	YZXAQZSLQWCQMK-DJWKRKHSSA-N	-1	0	273.244	3.098	20	30		CGEDRM
CC(=NNc1ccc(Cl)cc1)c1ccc(C(=O)[O-])o1	ZINC000772991824	627838578	/nfs/dbraw/zinc/83/85/78/627838578.db2.gz	WXAMYFPXLFQOPK-UHFFFAOYSA-N	-1	0	278.695	3.467	20	30		CGEDRM
CC(=NNc1ccccc1Cl)c1ccc(C(=O)[O-])o1	ZINC000772991471	627838979	/nfs/dbraw/zinc/83/89/79/627838979.db2.gz	UAEPJQRSUPUPSV-UHFFFAOYSA-N	-1	0	278.695	3.467	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1cccc(C(=O)[O-])c1)O2	ZINC000774117262	627947170	/nfs/dbraw/zinc/94/71/70/627947170.db2.gz	DUFXWNRNZSJHKP-AUWJEWJLSA-N	-1	0	296.278	3.015	20	30		CGEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(Cl)c2[O-])C1	ZINC000775747009	628132757	/nfs/dbraw/zinc/13/27/57/628132757.db2.gz	GBLJPOHQJUDMRF-BMIGLBTASA-N	-1	0	292.766	3.248	20	30		CGEDRM
C=CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1	ZINC000778746396	628369759	/nfs/dbraw/zinc/36/97/59/628369759.db2.gz	WKGKSOFVKWPNTH-ZDUSSCGKSA-N	-1	0	286.287	3.397	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1	ZINC000778998811	628382178	/nfs/dbraw/zinc/38/21/78/628382178.db2.gz	DPNROXRGYQOAIJ-LBPRGKRZSA-N	-1	0	287.281	3.347	20	30		CGEDRM
CCC(=NNc1ccnc(F)c1)c1ccc(C(=O)[O-])cc1	ZINC000781133058	628540403	/nfs/dbraw/zinc/54/04/03/628540403.db2.gz	LZVJBSQDRRXRHW-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cccs2)c1	ZINC000782200699	628624162	/nfs/dbraw/zinc/62/41/62/628624162.db2.gz	XJHNWHPCOCTIJV-ARJAWSKDSA-N	-1	0	264.327	3.404	20	30		CGEDRM
CC(=NNCCC(C)(C)C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000782908128	628667351	/nfs/dbraw/zinc/66/73/51/628667351.db2.gz	QBIJYXLUJWALJU-UHFFFAOYSA-N	-1	0	279.340	3.050	20	30		CGEDRM
Cc1cccn2c(/C=C/C(=O)c3ccc([O-])c(F)c3)cnc12	ZINC000125368187	634690553	/nfs/dbraw/zinc/69/05/53/634690553.db2.gz	UOTYOUDXUUNRCL-FNORWQNLSA-N	-1	0	296.301	3.384	20	30		CGEDRM
CC(C)c1ccoc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000786466309	628935693	/nfs/dbraw/zinc/93/56/93/628935693.db2.gz	SWVUVPIPSZMMSX-UHFFFAOYSA-N	-1	0	270.288	3.233	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC(CC(C)(C)C)C2CC2)n1	ZINC000787145734	628995382	/nfs/dbraw/zinc/99/53/82/628995382.db2.gz	SHFYIAAVGLBSKH-UHFFFAOYSA-N	-1	0	262.357	3.105	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cncs2)c(Cl)c1	ZINC000787173259	628999261	/nfs/dbraw/zinc/99/92/61/628999261.db2.gz	ZRKOQCXKTAQGPR-ARJAWSKDSA-N	-1	0	293.731	3.391	20	30		CGEDRM
CC[C@H](NN=C1C[C@H](C)C[C@@H](c2ccccc2)C1)C(=O)[O-]	ZINC000793056597	629406382	/nfs/dbraw/zinc/40/63/82/629406382.db2.gz	HIITWTDJCHBKFP-XPKDYRNWSA-N	-1	0	288.391	3.399	20	30		CGEDRM
CC[C@H](NN=C(C)c1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000793071278	629407408	/nfs/dbraw/zinc/40/74/08/629407408.db2.gz	HGAILZRCJQEVHC-NSHDSACASA-N	-1	0	289.162	3.170	20	30		CGEDRM
CC[C@H](NN=C1C[C@H](c2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793074000	629408135	/nfs/dbraw/zinc/40/81/35/629408135.db2.gz	ZCBMQAZPQPRVQB-OLZOCXBDSA-N	-1	0	274.364	3.009	20	30		CGEDRM
CC(=NN[C@H](C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000793113993	629413132	/nfs/dbraw/zinc/41/31/32/629413132.db2.gz	IELCUQWHWDBPFM-SNVBAGLBSA-N	-1	0	279.340	3.049	20	30		CGEDRM
O=C([O-])c1cc(N=NC[C@@H]2CC23CC3)ccc1Cl	ZINC000863065533	629466522	/nfs/dbraw/zinc/46/65/22/629466522.db2.gz	XJVDWWLFGGVTLU-QMMMGPOBSA-N	-1	0	264.712	3.236	20	30		CGEDRM
O=C(/C=C/c1c(F)ccc(O)c1F)c1ccc(F)cc1[O-]	ZINC000794941470	629603315	/nfs/dbraw/zinc/60/33/15/629603315.db2.gz	OXXXRNHYYAVPNN-HWKANZROSA-N	-1	0	294.228	3.411	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/CCc3ccc(O)cc3C2=O)c1	ZINC000794960102	629606928	/nfs/dbraw/zinc/60/69/28/629606928.db2.gz	KWHMZTYYEWGAQC-JYRVWZFOSA-N	-1	0	294.306	3.303	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000864186639	629794447	/nfs/dbraw/zinc/79/44/47/629794447.db2.gz	UGSVIGOCKYBNQN-LLVKDONJSA-N	-1	0	299.754	3.037	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CCCCCC(C)C)C(=O)[O-]	ZINC000864187091	629795996	/nfs/dbraw/zinc/79/59/96/629795996.db2.gz	DEECHUQERHBQGI-CYBMUJFWSA-N	-1	0	269.385	3.129	20	30		CGEDRM
CO[C@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000864346335	629815166	/nfs/dbraw/zinc/81/51/66/629815166.db2.gz	TVDPWICCSCWIJW-YKPIUXAISA-N	-1	0	274.147	3.295	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)NC1CCC(CCCC)CC1	ZINC000797713448	629979152	/nfs/dbraw/zinc/97/91/52/629979152.db2.gz	IKZHCAOHRXKCCP-UHFFFAOYSA-N	-1	0	296.411	3.018	20	30		CGEDRM
CSCCON=C1CCCCc2cc(C(=O)[O-])ccc21	ZINC000811648650	631097223	/nfs/dbraw/zinc/09/72/23/631097223.db2.gz	WBTFCVGLCYNCPO-UHFFFAOYSA-N	-1	0	293.388	3.195	20	30		CGEDRM
C=C(C)CNN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000811651094	631098536	/nfs/dbraw/zinc/09/85/36/631098536.db2.gz	GUHVPWGIVAGWTA-UHFFFAOYSA-N	-1	0	259.136	3.199	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C/c2cccc(F)c2C#N)c1	ZINC000811692738	631110326	/nfs/dbraw/zinc/11/03/26/631110326.db2.gz	HKXGIKLRMZZDOB-FNORWQNLSA-N	-1	0	297.285	3.308	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@@H](c3ccccc3)C2)n1	ZINC000814683218	631621703	/nfs/dbraw/zinc/62/17/03/631621703.db2.gz	UWPLVGSQINMDLG-CYBMUJFWSA-N	-1	0	282.347	3.226	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccc(Cl)nn1	ZINC000814698209	631626481	/nfs/dbraw/zinc/62/64/81/631626481.db2.gz	VNRNDRYMBBTZIQ-UHFFFAOYSA-N	-1	0	298.774	3.343	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1csc(C(=O)[O-])c1	ZINC000814803552	631642537	/nfs/dbraw/zinc/64/25/37/631642537.db2.gz	UTLYZYJWAFDAHV-UHFFFAOYSA-N	-1	0	285.328	3.154	20	30		CGEDRM
COc1cc(F)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814870468	631660552	/nfs/dbraw/zinc/66/05/52/631660552.db2.gz	DBAMIMGCXMEEDQ-UWVGGRQHSA-N	-1	0	294.326	3.123	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NOCC(F)(F)F	ZINC000814881037	631662959	/nfs/dbraw/zinc/66/29/59/631662959.db2.gz	PLXZZLDLWSURNU-UHFFFAOYSA-N	-1	0	269.263	3.366	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NOCC(F)(F)F	ZINC000814880401	631663174	/nfs/dbraw/zinc/66/31/74/631663174.db2.gz	CLZLPHNCKOPHPT-UHFFFAOYSA-N	-1	0	271.597	3.098	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NOCC(F)F	ZINC000814904180	631673093	/nfs/dbraw/zinc/67/30/93/631673093.db2.gz	WTBIJXPLUQBXDT-UHFFFAOYSA-N	-1	0	251.273	3.069	20	30		CGEDRM
C[C@@H]1C(=NOCc2ccc(F)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814903485	631673293	/nfs/dbraw/zinc/67/32/93/631673293.db2.gz	LSYCNDGUGDAYAQ-CMPLNLGQSA-N	-1	0	279.311	3.219	20	30		CGEDRM
CC(N=Nc1ncncc1Cl)[C@@H](C)CCCCC(=O)[O-]	ZINC000814908881	631676598	/nfs/dbraw/zinc/67/65/98/631676598.db2.gz	FMHQAKYOOWOLBB-VIFPVBQESA-N	-1	0	298.774	3.199	20	30		CGEDRM
Cc1cccnc1N=NC(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814911349	631678098	/nfs/dbraw/zinc/67/80/98/631678098.db2.gz	COBRPQNOGLGVBR-OLZOCXBDSA-N	-1	0	289.379	3.315	20	30		CGEDRM
C[C@@H]1CC(=NNCC2(C)CCCC2)CC[C@H]1C(=O)[O-]	ZINC000814937424	631691505	/nfs/dbraw/zinc/69/15/05/631691505.db2.gz	GDWYRTODPAWBJP-DGCLKSJQSA-N	-1	0	266.385	3.033	20	30		CGEDRM
CCOc1ccc(NN=Cc2cccc(C(=O)[O-])c2)cc1	ZINC000814984003	631701477	/nfs/dbraw/zinc/70/14/77/631701477.db2.gz	JONSHQAMJZQAEM-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
C=C(Br)C[NH2+]Cc1cc(Cl)c(F)cc1[O-]	ZINC000816548733	632007543	/nfs/dbraw/zinc/00/75/43/632007543.db2.gz	QUKBNKCPSNRHNP-UHFFFAOYSA-N	-1	0	294.551	3.183	20	30		CGEDRM
N#CC(=C([O-])C=C[C@@H]1CCCO1)c1nc2ccccc2s1	ZINC000819937679	632540934	/nfs/dbraw/zinc/54/09/34/632540934.db2.gz	UQMYYLFZAHDJSL-FUMJMOHISA-N	-1	0	298.367	3.208	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@H]2CCCO2)n1	ZINC000820184361	632584385	/nfs/dbraw/zinc/58/43/85/632584385.db2.gz	OIIUFJXPEVIJHB-GKKDLHFNSA-N	-1	0	290.388	3.178	20	30		CGEDRM
C[C@@H](N[C@H]1CCCC1(F)F)c1cccc(C#N)c1[O-]	ZINC000866356183	633097207	/nfs/dbraw/zinc/09/72/07/633097207.db2.gz	JVCLZMTYWCTPIJ-SKDRFNHKSA-N	-1	0	266.291	3.102	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000831034138	633911986	/nfs/dbraw/zinc/91/19/86/633911986.db2.gz	YRQMZWARKMDEBS-KBPBESRZSA-N	-1	0	298.427	3.099	20	30		CGEDRM
C[C@@H]1CCC(=NNc2[n-]cnc3ncnc2-3)c2sccc21	ZINC000834941830	634291551	/nfs/dbraw/zinc/29/15/51/634291551.db2.gz	KILAJBXBKHOPFZ-MRVPVSSYSA-N	-1	0	298.375	3.128	20	30		CGEDRM
CC1C=C(N=Nc2ccc(C(=O)[O-])nc2)CC(C)(C)C1	ZINC000835006207	634311828	/nfs/dbraw/zinc/31/18/28/634311828.db2.gz	BCXVDUMOEZPKJN-UHFFFAOYSA-N	-1	0	273.336	3.314	20	30		CGEDRM
CSCCCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009129	634313289	/nfs/dbraw/zinc/31/32/89/634313289.db2.gz	OIYWSVPUPGPWFL-UHFFFAOYSA-N	-1	0	270.329	3.065	20	30		CGEDRM
CCCC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835009988	634314481	/nfs/dbraw/zinc/31/44/81/634314481.db2.gz	KEYZHIWNIVXZTN-JTQLQIEISA-N	-1	0	263.341	3.394	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C1(C)C	ZINC000835012686	634316918	/nfs/dbraw/zinc/31/69/18/634316918.db2.gz	RXTFHLDHONKAIG-CYBMUJFWSA-N	-1	0	294.326	3.127	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC000842521196	635390229	/nfs/dbraw/zinc/39/02/29/635390229.db2.gz	FTHSXWVVKOYGSD-AGIUHOORSA-N	-1	0	270.332	3.385	20	30		CGEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000843267676	635628501	/nfs/dbraw/zinc/62/85/01/635628501.db2.gz	CSPQIYAOXGMWHW-XQRVVYSFSA-N	-1	0	288.322	3.280	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1	ZINC000843842611	635788231	/nfs/dbraw/zinc/78/82/31/635788231.db2.gz	LGZAPMDQPHRJGI-UONOGXRCSA-N	-1	0	284.359	3.419	20	30		CGEDRM
CC[C@H](C)[C@@H](CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844624307	635945506	/nfs/dbraw/zinc/94/55/06/635945506.db2.gz	VTPZFEMTIRHDTI-IINYFYTJSA-N	-1	0	278.352	3.152	20	30		CGEDRM
CC[C@@H]1C[C@H](CN=Nc2cccc(C(=O)[O-])c2C)CCO1	ZINC000844625228	635946343	/nfs/dbraw/zinc/94/63/43/635946343.db2.gz	WYBRZMSFHRKADP-CHWSQXEVSA-N	-1	0	290.363	3.296	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccccc2C)CCC1	ZINC000846535041	636194463	/nfs/dbraw/zinc/19/44/63/636194463.db2.gz	NNSGYIFZYQUBQP-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
C=C(C)CO[N-]C(=O)COc1cc(C)ccc1C(C)C	ZINC000846540700	636196558	/nfs/dbraw/zinc/19/65/58/636196558.db2.gz	HGAKBOBNLXHBCN-UHFFFAOYSA-N	-1	0	277.364	3.121	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(OC)c2)CCCC1	ZINC000846544905	636197060	/nfs/dbraw/zinc/19/70/60/636197060.db2.gz	KZHDAEJAGHAKGD-ZDUSSCGKSA-N	-1	0	289.375	3.129	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](OC(C)(C)C)c1ccccc1	ZINC000846550112	636200387	/nfs/dbraw/zinc/20/03/87/636200387.db2.gz	VAQTYMRLRFJNAK-JSGCOSHPSA-N	-1	0	277.364	3.165	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2C)CCC1	ZINC000846556169	636202087	/nfs/dbraw/zinc/20/20/87/636202087.db2.gz	YUQCCGRUTWHITN-ZDUSSCGKSA-N	-1	0	259.349	3.039	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1ccccc1OC(C)C	ZINC000848244801	636546134	/nfs/dbraw/zinc/54/61/34/636546134.db2.gz	FDLIWBCEQNSITJ-NSHDSACASA-N	-1	0	299.317	3.188	20	30		CGEDRM
O=C(/C=C/c1ccnn1CC1CC1)c1ccc([O-])c(F)c1	ZINC000849244728	636776586	/nfs/dbraw/zinc/77/65/86/636776586.db2.gz	JDZKXGMXCXJSAZ-GQCTYLIASA-N	-1	0	286.306	3.034	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c([O-])c1	ZINC000849247559	636779579	/nfs/dbraw/zinc/77/95/79/636779579.db2.gz	UZFLCDVKKQBUIU-FPLPWBNLSA-N	-1	0	282.343	3.208	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)cc2)s1	ZINC000007333302	636997127	/nfs/dbraw/zinc/99/71/27/636997127.db2.gz	RPZCERLNLWACCK-ZZXKWVIFSA-N	-1	0	276.288	3.482	20	30		CGEDRM
CC(=O)c1cc(Cl)cc(CN([C@H](C)C#N)C2CC2)c1O	ZINC000852478999	637658820	/nfs/dbraw/zinc/65/88/20/637658820.db2.gz	CDHZZZWVVKUVHE-SECBINFHSA-N	-1	0	292.766	3.125	20	30		CGEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(C(=O)[O-])cc1	ZINC000853254254	637795268	/nfs/dbraw/zinc/79/52/68/637795268.db2.gz	OGDLFOOOKQIRCA-UHFFFAOYSA-N	-1	0	259.309	3.112	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000853370504	637826492	/nfs/dbraw/zinc/82/64/92/637826492.db2.gz	OVLXVPPRKOFJGZ-MCIONIFRSA-N	-1	0	272.348	3.148	20	30		CGEDRM
O=C([O-])c1cccc(C=NOCC2CCC2)c1Cl	ZINC000853441330	637844723	/nfs/dbraw/zinc/84/47/23/637844723.db2.gz	SGJIBUFFIKWHKV-UHFFFAOYSA-N	-1	0	267.712	3.189	20	30		CGEDRM
CC(=NOCC1CCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000853441019	637844948	/nfs/dbraw/zinc/84/49/48/637844948.db2.gz	PXDOEKBXVMBNRA-LLVKDONJSA-N	-1	0	255.358	3.460	20	30		CGEDRM
CC[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000113651176	638247829	/nfs/dbraw/zinc/24/78/29/638247829.db2.gz	OHJJTELHMFFRIW-ZWNOBZJWSA-N	-1	0	282.343	3.414	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)Oc1cccc(Cl)c1	ZINC000856031987	638286988	/nfs/dbraw/zinc/28/69/88/638286988.db2.gz	GFRJHBFCNRSLCP-UHFFFAOYSA-N	-1	0	283.755	3.121	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C12CC(C1)C2	ZINC000860451623	639348915	/nfs/dbraw/zinc/34/89/15/639348915.db2.gz	HVMNWSCTAZBPKF-HLZQHVJHSA-N	-1	0	292.338	3.168	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCc2ccccc21	ZINC000042344887	639916524	/nfs/dbraw/zinc/91/65/24/639916524.db2.gz	FMIMGVKXHZBPGE-CQSZACIVSA-N	-1	0	295.404	3.193	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)o1	ZINC000158300699	639999803	/nfs/dbraw/zinc/99/98/03/639999803.db2.gz	KFUJRLZBZRNDCF-VOTSOKGWSA-N	-1	0	256.257	3.182	20	30		CGEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000048514390	640056504	/nfs/dbraw/zinc/05/65/04/640056504.db2.gz	DUFWICXGWOVNSI-UHFFFAOYSA-N	-1	0	295.282	3.007	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(CCC)cc1	ZINC000049054853	640080367	/nfs/dbraw/zinc/08/03/67/640080367.db2.gz	URNBQZLURYQVTJ-UHFFFAOYSA-N	-1	0	283.393	3.074	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077879944	640266111	/nfs/dbraw/zinc/26/61/11/640266111.db2.gz	BGNGQPTWMKXTII-NSHDSACASA-N	-1	0	269.366	3.224	20	30		CGEDRM
N#CC(=C([O-])C=C1CCC1)c1nc2ccccc2o1	ZINC000088804882	640624228	/nfs/dbraw/zinc/62/42/28/640624228.db2.gz	TVRHPCYMCRGROO-LLVKDONJSA-N	-1	0	252.273	3.114	20	30		CGEDRM
Cc1cc(Nc2ccc(Cl)nc2C#N)ccc1C(=O)[O-]	ZINC001211647800	814925517	/nfs/dbraw/zinc/92/55/17/814925517.db2.gz	JTQIUAXSBYPLSX-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(C(=O)[O-])c(C)c2)c1	ZINC001211652624	814925805	/nfs/dbraw/zinc/92/58/05/814925805.db2.gz	IAWLXHJFYNETGH-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)ccc2O)ccc1C(=O)[O-]	ZINC001211658282	814927426	/nfs/dbraw/zinc/92/74/26/814927426.db2.gz	HWKQNRZDJNXLKI-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
CC(C)(C)c1[n-]n(C2CCCC2)c(=O)c1CCC#N	ZINC000260000910	799175426	/nfs/dbraw/zinc/17/54/26/799175426.db2.gz	KUSZWLQFMPJRLA-UHFFFAOYSA-N	-1	0	261.369	3.457	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC000397034902	799513424	/nfs/dbraw/zinc/51/34/24/799513424.db2.gz	NAQZMWVAAYZJNU-ZIAGYGMSSA-N	-1	0	283.412	3.449	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000588618400	799722104	/nfs/dbraw/zinc/72/21/04/799722104.db2.gz	QRGPWOFOHAKDCQ-WAYWQWQTSA-N	-1	0	285.249	3.438	20	30		CGEDRM
CCCCCCCC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000692507502	799796059	/nfs/dbraw/zinc/79/60/59/799796059.db2.gz	JCOMACWZZUUHRB-UHFFFAOYSA-N	-1	0	291.391	3.460	20	30		CGEDRM
N#Cc1sccc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC001256723266	806958495	/nfs/dbraw/zinc/95/84/95/806958495.db2.gz	ZHXREXYXISHGCG-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
COc1cc(O)ccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC001116252319	802318035	/nfs/dbraw/zinc/31/80/35/802318035.db2.gz	BHUDJJCFZJEZPY-CLTKARDFSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CC(C)(C)c1noc(Nc2ccc(C(=O)[O-])s2)c1C#N	ZINC001174804974	809166645	/nfs/dbraw/zinc/16/66/45/809166645.db2.gz	IBZOQDYHDKGXOI-UHFFFAOYSA-N	-1	0	291.332	3.347	20	30		CGEDRM
CC(=NN[C@H]1CCCSC1)[C@H](C)CCCCC(=O)[O-]	ZINC001119362737	802654479	/nfs/dbraw/zinc/65/44/79/802654479.db2.gz	IDCCXZCAHHVAOV-YPMHNXCESA-N	-1	0	286.441	3.129	20	30		CGEDRM
C=CCCC1(CNC(=O)N(C)CCCC(=O)[O-])CCCC1	ZINC001121924921	802851379	/nfs/dbraw/zinc/85/13/79/802851379.db2.gz	DZSGUBDMHWTEHM-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(CC#N)c(OC)c2)c1	ZINC001244176898	803227168	/nfs/dbraw/zinc/22/71/68/803227168.db2.gz	RDAZRNMECMQZRK-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccnc(C)c1C#N	ZINC001244422095	803362653	/nfs/dbraw/zinc/36/26/53/803362653.db2.gz	DAQSQCPCQZOJTE-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
Cc1ccc(-c2cc(F)c([O-])c(Cl)c2)nc1C#N	ZINC001244500115	803406286	/nfs/dbraw/zinc/40/62/86/803406286.db2.gz	JGRVVRRFAJZYIK-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1ccnc(-c2cc(C)c([O-])c(Cl)c2)c1C#N	ZINC001244530959	803421372	/nfs/dbraw/zinc/42/13/72/803421372.db2.gz	FJGLTHFPZBWWPU-UHFFFAOYSA-N	-1	0	274.707	3.296	20	30		CGEDRM
N#Cc1ccnc(-c2c(Cl)ccc([O-])c2F)c1F	ZINC001244537409	803424942	/nfs/dbraw/zinc/42/49/42/803424942.db2.gz	DSWHHXZOWNHOQA-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cc(-c2cncc(F)c2C#N)cc(Cl)c1[O-]	ZINC001244547515	803431666	/nfs/dbraw/zinc/43/16/66/803431666.db2.gz	OVPBWXKMCFTTIL-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1ccc(Cl)c([O-])c1F	ZINC001244631594	803475243	/nfs/dbraw/zinc/47/52/43/803475243.db2.gz	VNJNAHOBQCELKR-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cnc2cc(-c3cc(C(=O)[O-])cnc3F)ccc2c1	ZINC001244762423	803522836	/nfs/dbraw/zinc/52/28/36/803522836.db2.gz	LEBBWGPTSHKWAR-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1ccc2cc(-c3cc(C(=O)[O-])cnc3F)ccc2n1	ZINC001244763507	803523747	/nfs/dbraw/zinc/52/37/47/803523747.db2.gz	LQOXLZNDWPOZQM-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cc([O-])c(F)c(F)c2F)n1	ZINC001245636464	803873048	/nfs/dbraw/zinc/87/30/48/803873048.db2.gz	TXGZXBUKZALWFM-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
[O-]N=Cc1ccccc1-c1ccc(CO)c(F)c1Cl	ZINC001245882617	804011589	/nfs/dbraw/zinc/01/15/89/804011589.db2.gz	NCRIWAFBWKWLAL-UHFFFAOYSA-N	-1	0	279.698	3.447	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(CC3CCCC3)[n-]2)c1	ZINC001245937644	804069706	/nfs/dbraw/zinc/06/97/06/804069706.db2.gz	RASLYYXMSXARFZ-UHFFFAOYSA-N	-1	0	267.332	3.318	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1	ZINC001212513468	815045463	/nfs/dbraw/zinc/04/54/63/815045463.db2.gz	RNNPNKPMLQMUIH-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
CCc1oncc1C(=O)[N-]c1c(C#N)oc2ccccc21	ZINC001147492877	805134415	/nfs/dbraw/zinc/13/44/15/805134415.db2.gz	SIYWTOKOKKAWHP-UHFFFAOYSA-N	-1	0	281.271	3.107	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)cc(N)c1Cl	ZINC001249649750	805202317	/nfs/dbraw/zinc/20/23/17/805202317.db2.gz	WAVGAMYNNAYVDL-UHFFFAOYSA-N	-1	0	283.715	3.444	20	30		CGEDRM
N#Cc1ccsc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249959042	805326879	/nfs/dbraw/zinc/32/68/79/805326879.db2.gz	SBPXVUXSXQFCEA-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249965707	805332363	/nfs/dbraw/zinc/33/23/63/805332363.db2.gz	HUSTXZRAOREMOM-UHFFFAOYSA-N	-1	0	279.221	3.007	20	30		CGEDRM
N#Cc1cccc(Cc2ccc(CCC(=O)[O-])cc2)c1	ZINC001250051055	805390783	/nfs/dbraw/zinc/39/07/83/805390783.db2.gz	VONDCYDKBZMMGX-UHFFFAOYSA-N	-1	0	265.312	3.166	20	30		CGEDRM
Cc1cc(Cc2cccc(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001250050866	805391599	/nfs/dbraw/zinc/39/15/99/805391599.db2.gz	LRUZTDAKVIJCDJ-UHFFFAOYSA-N	-1	0	265.312	3.464	20	30		CGEDRM
Cc1cc(CC(=O)c2ccc(C#N)cc2)cc(C)c1C(=O)[O-]	ZINC001250208716	805491597	/nfs/dbraw/zinc/49/15/97/805491597.db2.gz	NJCNCMPZGPOUEB-UHFFFAOYSA-N	-1	0	293.322	3.299	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2ccoc21	ZINC001258283331	807394579	/nfs/dbraw/zinc/39/45/79/807394579.db2.gz	RDWOFUDMBJMDJC-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
CC(C)CS(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N	ZINC001259884627	807691709	/nfs/dbraw/zinc/69/17/09/807691709.db2.gz	IEOZJFHCIJPUAZ-UHFFFAOYSA-N	-1	0	280.393	3.079	20	30		CGEDRM
COCc1ccccc1Nc1scc([O-])c1C#N	ZINC001174103302	808867422	/nfs/dbraw/zinc/86/74/22/808867422.db2.gz	JOUWDCUVIDSWBA-UHFFFAOYSA-N	-1	0	260.318	3.215	20	30		CGEDRM
CC(C)(C)c1noc([N-]c2ccc([N+](=O)[O-])cc2)c1C#N	ZINC001174477068	809032195	/nfs/dbraw/zinc/03/21/95/809032195.db2.gz	KANKYAVNQAUNMF-UHFFFAOYSA-N	-1	0	286.291	3.496	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(C(=O)[O-])s1	ZINC001174810098	809168945	/nfs/dbraw/zinc/16/89/45/809168945.db2.gz	FYKPVIDYENYKDK-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
CN(C)c1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001174877444	809186063	/nfs/dbraw/zinc/18/60/63/809186063.db2.gz	BCAAZNLLRNLYHW-UHFFFAOYSA-N	-1	0	259.334	3.135	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1O	ZINC001174982856	809225596	/nfs/dbraw/zinc/22/55/96/809225596.db2.gz	YCRVSGKLIWHQST-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
COc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1C#N	ZINC001174982804	809225919	/nfs/dbraw/zinc/22/59/19/809225919.db2.gz	VAQBJSUCNNIDIO-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1	ZINC001175330060	809357695	/nfs/dbraw/zinc/35/76/95/809357695.db2.gz	ZHWMQBHGOCHUGY-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#CCc1cc(Nc2cccc(C(=O)[O-])c2)ccc1F	ZINC001175337349	809363133	/nfs/dbraw/zinc/36/31/33/809363133.db2.gz	PDNIHTVKYBWJAR-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
CSc1ccc(Nc2scc([O-])c2C#N)cn1	ZINC001175653930	809491024	/nfs/dbraw/zinc/49/10/24/809491024.db2.gz	MLLKUSBZHFYYCG-UHFFFAOYSA-N	-1	0	263.347	3.186	20	30		CGEDRM
N#Cc1cc(Cl)ccc1Nc1cncc(C(=O)[O-])c1	ZINC001175841675	809553090	/nfs/dbraw/zinc/55/30/90/809553090.db2.gz	RFNDTLIJGWJXHV-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#C[C@@H](NC(=O)c1ccc2ccccc2c1O)C1CCCC1	ZINC001303060824	809603483	/nfs/dbraw/zinc/60/34/83/809603483.db2.gz	OOFFALSIASLZLQ-MRXNPFEDSA-N	-1	0	294.354	3.358	20	30		CGEDRM
Cc1cnc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)c1	ZINC001176584010	809723651	/nfs/dbraw/zinc/72/36/51/809723651.db2.gz	CGTDUHQSQSGTDS-UHFFFAOYSA-N	-1	0	293.326	3.122	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176587948	809724799	/nfs/dbraw/zinc/72/47/99/809724799.db2.gz	DIDCPFUXQNRQLD-UHFFFAOYSA-N	-1	0	294.310	3.124	20	30		CGEDRM
C[C@H](CCc1ccccc1)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246559	810184941	/nfs/dbraw/zinc/18/49/41/810184941.db2.gz	VWBWXHQTSOFDOU-OAHLLOKOSA-N	-1	0	296.390	3.174	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2ccc(F)c(F)c2)c1	ZINC001185089812	810234307	/nfs/dbraw/zinc/23/43/07/810234307.db2.gz	MPYQXOQUZNAZRD-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2c(F)ccc([O-])c2F)s1	ZINC001192525441	810804017	/nfs/dbraw/zinc/80/40/17/810804017.db2.gz	UHMZHLBKKRRREI-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(C#N)c2)CC(C)(C)C1	ZINC001193516126	810902429	/nfs/dbraw/zinc/90/24/29/810902429.db2.gz	ZSFBEJWUHFXTFI-BXUZGUMPSA-N	-1	0	286.375	3.208	20	30		CGEDRM
C=Cc1ccc(NC(=O)c2cccc(C#N)c2[O-])cc1	ZINC001193646471	810927250	/nfs/dbraw/zinc/92/72/50/810927250.db2.gz	KKUKSNQFHRIPEB-UHFFFAOYSA-N	-1	0	264.284	3.159	20	30		CGEDRM
Cc1ccc(OC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001194463892	811080281	/nfs/dbraw/zinc/08/02/81/811080281.db2.gz	RLSWRMTVLKKYDN-UHFFFAOYSA-N	-1	0	286.262	3.322	20	30		CGEDRM
CC(C)c1cccnc1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195741075	811283429	/nfs/dbraw/zinc/28/34/29/811283429.db2.gz	NWWKLXQFYZGUNQ-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
C[C@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195733318	811283580	/nfs/dbraw/zinc/28/35/80/811283580.db2.gz	JJIWECRRDRAMKP-LBPRGKRZSA-N	-1	0	292.338	3.023	20	30		CGEDRM
C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195733317	811283662	/nfs/dbraw/zinc/28/36/62/811283662.db2.gz	JJIWECRRDRAMKP-GFCCVEGCSA-N	-1	0	292.338	3.023	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)c([O-])c1	ZINC001195751417	811286780	/nfs/dbraw/zinc/28/67/80/811286780.db2.gz	UNEGPOFYLXYVSD-INIZCTEOSA-N	-1	0	298.386	3.449	20	30		CGEDRM
N#Cc1cccc(NC(=S)Nc2cccc(F)c2[O-])c1	ZINC001197712707	811448429	/nfs/dbraw/zinc/44/84/29/811448429.db2.gz	TUYXUWKFJHNCIW-UHFFFAOYSA-N	-1	0	287.319	3.212	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201224883	811801964	/nfs/dbraw/zinc/80/19/64/811801964.db2.gz	VEFYKTLFWNRQFI-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cc1coc(Nc2ccc(F)c(C(=O)[O-])c2F)c1C#N	ZINC001215274425	815501897	/nfs/dbraw/zinc/50/18/97/815501897.db2.gz	XOIOEEAKTQJAPL-UHFFFAOYSA-N	-1	0	278.214	3.180	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccsc2C(=O)[O-])c(C#N)c1	ZINC001215396204	815516763	/nfs/dbraw/zinc/51/67/63/815516763.db2.gz	ZLBOUGVAMZMJLO-UHFFFAOYSA-N	-1	0	286.312	3.264	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203287529	812293871	/nfs/dbraw/zinc/29/38/71/812293871.db2.gz	CUMXPUCXYHFQRK-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cnc(Nc2ccc(C(=O)[O-])cc2F)c(Cl)c1	ZINC001203286107	812293892	/nfs/dbraw/zinc/29/38/92/812293892.db2.gz	HBZPDNWHYIZDGD-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)c(F)c1F	ZINC001203291863	812295289	/nfs/dbraw/zinc/29/52/89/812295289.db2.gz	ALFNPKOVCHLCKW-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215612775	815547619	/nfs/dbraw/zinc/54/76/19/815547619.db2.gz	AJOBLDBRRJGLJJ-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
Cc1c(Cl)c(Nc2ncccc2C#N)ccc1C(=O)[O-]	ZINC001215690678	815559320	/nfs/dbraw/zinc/55/93/20/815559320.db2.gz	XKNPULXWPFDPHF-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)OC(F)(F)O2	ZINC001205078620	812850472	/nfs/dbraw/zinc/85/04/72/812850472.db2.gz	JDRXDYVWXNPTAH-UHFFFAOYSA-N	-1	0	296.254	3.390	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001215695329	815560611	/nfs/dbraw/zinc/56/06/11/815560611.db2.gz	MVVOETQQQHMFMA-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(-c2csc(C(=O)[O-])c2)ncc1C(F)(F)F	ZINC001206257534	813258493	/nfs/dbraw/zinc/25/84/93/813258493.db2.gz	XECWLNLXMZISFY-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890579	814190781	/nfs/dbraw/zinc/19/07/81/814190781.db2.gz	PYNVXSNBHKMDJO-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209892991	814190798	/nfs/dbraw/zinc/19/07/98/814190798.db2.gz	AZQYBDVDZGJYLQ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(Nc2ccc(CC#N)cc2)cc1C(=O)[O-]	ZINC001209902632	814194407	/nfs/dbraw/zinc/19/44/07/814194407.db2.gz	HWTPLQFRBAMACO-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1O	ZINC001209979839	814228676	/nfs/dbraw/zinc/22/86/76/814228676.db2.gz	PLGLVFFIRKPWRW-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cccc(CC(=O)[O-])c2)cc1F	ZINC001210077660	814276880	/nfs/dbraw/zinc/27/68/80/814276880.db2.gz	XBBZQROLEMUIHF-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
Cc1cc(C)c(Nc2ccc(C(=O)[O-])nc2)cc1C#N	ZINC001210178582	814322918	/nfs/dbraw/zinc/32/29/18/814322918.db2.gz	OPIFJENDQXIARE-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1C#N	ZINC001210242984	814362611	/nfs/dbraw/zinc/36/26/11/814362611.db2.gz	XHBFUSAYVYKAJH-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(F)c(C#N)c1	ZINC001210257979	814368971	/nfs/dbraw/zinc/36/89/71/814368971.db2.gz	JIORSBRGZQSCPQ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1c(F)cccc1C#N	ZINC001210254913	814369769	/nfs/dbraw/zinc/36/97/69/814369769.db2.gz	NLKRBBFNYVIMJG-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cc(F)ccc1C#N	ZINC001210258705	814370667	/nfs/dbraw/zinc/37/06/67/814370667.db2.gz	SVXUXGJPZYUJQX-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1c(F)cc(F)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210868936	814658756	/nfs/dbraw/zinc/65/87/56/814658756.db2.gz	ABIFLIFWVIJQIH-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1cc(Nc2ccccc2C(=O)[O-])cc(F)c1F	ZINC001210969153	814696165	/nfs/dbraw/zinc/69/61/65/814696165.db2.gz	QFWWREBWPKXWEV-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1c(Nc2ccc(C)c(C#N)c2)cccc1C(=O)[O-]	ZINC001211036777	814714007	/nfs/dbraw/zinc/71/40/07/814714007.db2.gz	DNZRZIHIVUVRRR-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1nc(-c2cccc([O-])c2Cl)c(F)cc1C#N	ZINC001242801536	823137167	/nfs/dbraw/zinc/13/71/67/823137167.db2.gz	VIBYGUOXIKTOSP-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cccc2C#N)cc(C(=O)[O-])c1	ZINC001211542392	814903792	/nfs/dbraw/zinc/90/37/92/814903792.db2.gz	IFGPWSYVPQOYDM-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1cc(Nc2cccc(C#N)c2F)cc(C(=O)[O-])c1	ZINC001211544863	814904570	/nfs/dbraw/zinc/90/45/70/814904570.db2.gz	MAHQWRZREAWIHS-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
CCc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1N	ZINC001216040802	815670829	/nfs/dbraw/zinc/67/08/29/815670829.db2.gz	NAHZPJDGVMLLIH-UHFFFAOYSA-N	-1	0	271.295	3.291	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)nc2)cc(C)c1C(=O)[O-]	ZINC001216309737	815775956	/nfs/dbraw/zinc/77/59/56/815775956.db2.gz	LUECEQXIJYKHKT-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)cc([N+](=O)[O-])c2)c([O-])cc1F	ZINC001216484092	815838256	/nfs/dbraw/zinc/83/82/56/815838256.db2.gz	DGWFZNDEBZFTOM-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1ccc(-c2noc(-c3c([O-])cccc3Cl)n2)nc1	ZINC001216522209	815849275	/nfs/dbraw/zinc/84/92/75/815849275.db2.gz	KLKZWUOQQGHNMX-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1cccc(C(=O)[O-])c1C	ZINC001216657836	815887007	/nfs/dbraw/zinc/88/70/07/815887007.db2.gz	LAGGUBMWYGPHIS-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1c(Nc2cc(F)ccc2C#N)cccc1C(=O)[O-]	ZINC001216661295	815889230	/nfs/dbraw/zinc/88/92/30/815889230.db2.gz	DTCNISAOIDZTFI-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(F)ccc1-c1noc(-c2ccc([O-])c(C#N)c2)n1	ZINC001216970062	815904250	/nfs/dbraw/zinc/90/42/50/815904250.db2.gz	ZTJHBNPEEYGDEQ-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1nccc2cc(-c3ccccc3C(=O)[O-])ccc12	ZINC001242880642	823162800	/nfs/dbraw/zinc/16/28/00/823162800.db2.gz	JUYWUVONQUCMQK-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1cccc(C(=O)[O-])c1OC	ZINC001242920166	823172168	/nfs/dbraw/zinc/17/21/68/823172168.db2.gz	GMJSGUKVMGKJSO-UHFFFAOYSA-N	-1	0	283.327	3.492	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)c(C)c1	ZINC001242923973	823173677	/nfs/dbraw/zinc/17/36/77/823173677.db2.gz	UVEKZIWMWHEMRP-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
N#Cc1ccnc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1	ZINC001222585220	816472315	/nfs/dbraw/zinc/47/23/15/816472315.db2.gz	AWRSFJGTIGZSCE-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cn1	ZINC001222610647	816477682	/nfs/dbraw/zinc/47/76/82/816477682.db2.gz	RHWRCTMRRDGSDP-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
CC[C@H](C)[C@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893427	816698883	/nfs/dbraw/zinc/69/88/83/816698883.db2.gz	VBZHUJOXSWYURD-CGJGVHNYSA-N	-1	0	281.352	3.291	20	30		CGEDRM
C=CC[C@H](OCC[P@](=O)([O-])O)c1ccc(Cl)cc1	ZINC001224602097	816830852	/nfs/dbraw/zinc/83/08/52/816830852.db2.gz	NYXVWYGAXLQOLW-LBPRGKRZSA-N	-1	0	290.683	3.152	20	30		CGEDRM
C=CC[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1	ZINC001225018858	816934614	/nfs/dbraw/zinc/93/46/14/816934614.db2.gz	JUZIELCEJGJELD-CQSZACIVSA-N	-1	0	284.292	3.278	20	30		CGEDRM
N#C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F	ZINC001225495119	817074401	/nfs/dbraw/zinc/07/44/01/817074401.db2.gz	ZEWPKUKRZSEIBN-AWEZNQCLSA-N	-1	0	288.234	3.083	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225627244	817118302	/nfs/dbraw/zinc/11/83/02/817118302.db2.gz	YBAOBHLMDGOMMT-JTQLQIEISA-N	-1	0	251.282	3.424	20	30		CGEDRM
CCC1CCC(Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226008768	817247190	/nfs/dbraw/zinc/24/71/90/817247190.db2.gz	MHSOUFCVMIYCNE-UHFFFAOYSA-N	-1	0	264.300	3.146	20	30		CGEDRM
CCC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)(C)C	ZINC001226009032	817248155	/nfs/dbraw/zinc/24/81/55/817248155.db2.gz	QMHOTRPPRKUZCD-NSHDSACASA-N	-1	0	266.316	3.392	20	30		CGEDRM
CCC[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226062997	817262149	/nfs/dbraw/zinc/26/21/49/817262149.db2.gz	AJTHAVQPXUCKKY-ZETCQYMHSA-N	-1	0	274.242	3.245	20	30		CGEDRM
Cc1cc(=O)[n-]c(OC2CC(C)(C)OC(C)(C)C2)c1C#N	ZINC001226222635	817301795	/nfs/dbraw/zinc/30/17/95/817301795.db2.gz	FJVLNWRCFXQGLU-UHFFFAOYSA-N	-1	0	290.363	3.082	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[nH]c(=O)ncc2C(C)=O)C1	ZINC001226239111	817306554	/nfs/dbraw/zinc/30/65/54/817306554.db2.gz	GDFFPHAQSAXEDT-GXTWGEPZSA-N	-1	0	288.347	3.065	20	30		CGEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226409670	817349202	/nfs/dbraw/zinc/34/92/02/817349202.db2.gz	UHNUXHBJUFDQEK-UHFFFAOYSA-N	-1	0	274.295	3.374	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2ccccc21)C(C)C	ZINC001226980740	817523779	/nfs/dbraw/zinc/52/37/79/817523779.db2.gz	KXLATLPUIKAJBZ-ZDUSSCGKSA-N	-1	0	258.321	3.315	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(CC#N)cc2)c1	ZINC001243177639	823274907	/nfs/dbraw/zinc/27/49/07/823274907.db2.gz	BSXKJBBXLIZDBA-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C3(C#N)CC3)ccn2)c1	ZINC001243180167	823276027	/nfs/dbraw/zinc/27/60/27/823276027.db2.gz	XDHBRHDUGSFYTO-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
CCCCCCC[C@H](C)Oc1nc(=O)[n-]c2c1COC2	ZINC001227690751	817694408	/nfs/dbraw/zinc/69/44/08/817694408.db2.gz	OHDFKLVWGNNSBP-NSHDSACASA-N	-1	0	280.368	3.340	20	30		CGEDRM
C=CCC(CC=C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227746827	817710791	/nfs/dbraw/zinc/71/07/91/817710791.db2.gz	VVEFCTMHHFKHLS-UHFFFAOYSA-N	-1	0	273.292	3.371	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243194388	823284431	/nfs/dbraw/zinc/28/44/31/823284431.db2.gz	YGVRCXNPNFPNPD-UHFFFAOYSA-N	-1	0	299.355	3.052	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1nc2c(cc1C#N)CCC2	ZINC001243203408	823289486	/nfs/dbraw/zinc/28/94/86/823289486.db2.gz	XHJVUKNYISXLHN-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243210317	823293185	/nfs/dbraw/zinc/29/31/85/823293185.db2.gz	BOUREDKIYSKIBS-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(C)c2)cc1CC#N	ZINC001243215379	823295996	/nfs/dbraw/zinc/29/59/96/823295996.db2.gz	XEFLZQOJWGXAIE-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1cc(-c2ccc(C#N)cc2C#N)ccc1C(=O)[O-]	ZINC001243215589	823296258	/nfs/dbraw/zinc/29/62/58/823296258.db2.gz	SLTULEYVGXZTSU-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
C[C@H](Oc1cccc2c1C(=O)C=CC2=O)C1=CC=C[CH]1	ZINC001228473817	817915480	/nfs/dbraw/zinc/91/54/80/817915480.db2.gz	WXOCTMKUEPKBII-NSHDSACASA-N	-1	0	265.288	3.090	20	30		CGEDRM
C=C[C@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1	ZINC001228483742	817918883	/nfs/dbraw/zinc/91/88/83/817918883.db2.gz	XAQIWDUEZMYYOO-NSHDSACASA-N	-1	0	262.696	3.142	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=O)ncc2Cl)C(C)(C)O1	ZINC001228483105	817919071	/nfs/dbraw/zinc/91/90/71/817919071.db2.gz	QRUQPRILBJCAMQ-YGRLFVJLSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1cccc(-c2nn[nH]n2)c1	ZINC001231117829	818034510	/nfs/dbraw/zinc/03/45/10/818034510.db2.gz	HMYIKYMQXWPJSF-CYBMUJFWSA-N	-1	0	272.352	3.380	20	30		CGEDRM
C=C[C@H](CCCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234335977	818839258	/nfs/dbraw/zinc/83/92/58/818839258.db2.gz	NZDDVGKRQVEIII-LLVKDONJSA-N	-1	0	286.264	3.282	20	30		CGEDRM
C#C[C@@H](CCCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822729	818926626	/nfs/dbraw/zinc/92/66/26/818926626.db2.gz	YNSKFIQLIVIIRU-ZDUSSCGKSA-N	-1	0	286.327	3.378	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C=CC(=O)[O-])cc3)c12	ZINC001235531267	819115551	/nfs/dbraw/zinc/11/55/51/819115551.db2.gz	GGQNUGDINJQTPZ-ZZXKWVIFSA-N	-1	0	289.294	3.151	20	30		CGEDRM
N#Cc1ccc2c(c1)nccc2-c1ccc(C(=O)[O-])cc1	ZINC001236061357	819294272	/nfs/dbraw/zinc/29/42/72/819294272.db2.gz	VNSUBEVYUUHEKH-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243513916	823426609	/nfs/dbraw/zinc/42/66/09/823426609.db2.gz	KFBKXZAONRQWEJ-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1	ZINC001243515964	823427467	/nfs/dbraw/zinc/42/74/67/823427467.db2.gz	YBKXVMYLXKRQCR-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
Cc1cc(C#N)nc(-c2ccc(C(F)(F)F)cc2[O-])n1	ZINC001243607689	823465616	/nfs/dbraw/zinc/46/56/16/823465616.db2.gz	PRWHAJYFDHVXDA-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239262535	820244996	/nfs/dbraw/zinc/24/49/96/820244996.db2.gz	XRCBFGXEMJTMBA-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240552035	821137951	/nfs/dbraw/zinc/13/79/51/821137951.db2.gz	AHQVVPUHMCSSGA-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#Cc1cnc(-c2cc(F)ccc2[O-])cc1C(F)(F)F	ZINC001240694221	821249740	/nfs/dbraw/zinc/24/97/40/821249740.db2.gz	QZBVDZUTMVUEQD-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)CC/C2=N/O	ZINC001240736455	821289211	/nfs/dbraw/zinc/28/92/11/821289211.db2.gz	QSNKJAOGQRPWIG-SDXDJHTJSA-N	-1	0	297.310	3.185	20	30		CGEDRM
COc1cc(-c2ccc(F)c(C#N)c2F)ccc1C(=O)[O-]	ZINC001240746198	821297289	/nfs/dbraw/zinc/29/72/89/821297289.db2.gz	ZLQRGVQHZHRJQV-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])s2)ccc1C#N	ZINC001240848648	821369390	/nfs/dbraw/zinc/36/93/90/821369390.db2.gz	UNIHFFUINCFULH-UHFFFAOYSA-N	-1	0	268.297	3.051	20	30		CGEDRM
CCc1nnc(-c2ccc(C)cc2[O-])c(C#N)c1CC	ZINC001241035773	821511392	/nfs/dbraw/zinc/51/13/92/821511392.db2.gz	HCOUVPCAQRZZKN-UHFFFAOYSA-N	-1	0	267.332	3.154	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3ccc(C(=O)[O-])c(F)c3)cc12	ZINC001241186638	821623954	/nfs/dbraw/zinc/62/39/54/821623954.db2.gz	SBSNHZPMVSXNRV-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241245093	821666756	/nfs/dbraw/zinc/66/67/56/821666756.db2.gz	LVDALDFXZZJKNE-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1nc(-c2cc([O-])cc(F)c2)ccc1C(F)(F)F	ZINC001241256003	821675626	/nfs/dbraw/zinc/67/56/26/821675626.db2.gz	JMQMVIXSFXDBAP-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C(=O)[O-])c(Cl)c3)c12	ZINC001241349556	821752706	/nfs/dbraw/zinc/75/27/06/821752706.db2.gz	LHLSTPJUFVVUDD-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
C[Si](C)(C)C#Cc1ccc(-c2cncc(C(=O)[O-])c2)nc1	ZINC001241797228	822148034	/nfs/dbraw/zinc/14/80/34/822148034.db2.gz	HMDHTHMGTKGQCC-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
N#CC1(c2cccc(-c3cncc(C(=O)[O-])c3)c2)CC1	ZINC001241801252	822150233	/nfs/dbraw/zinc/15/02/33/822150233.db2.gz	GJNTYTJFEVEHKG-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(F)cc(C(=O)[O-])c2)nc1C	ZINC001241816848	822159547	/nfs/dbraw/zinc/15/95/47/822159547.db2.gz	KXKWQJVVMQLKOL-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241837512	822172980	/nfs/dbraw/zinc/17/29/80/822172980.db2.gz	YPVJGONSABEMAA-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1C(=O)[O-]	ZINC001241879934	822191183	/nfs/dbraw/zinc/19/11/83/822191183.db2.gz	FVVCGAFCGZACJB-SDXDJHTJSA-N	-1	0	297.310	3.185	20	30		CGEDRM
Cc1nnc(-c2cc(C(F)(F)F)ccc2[O-])c(C#N)c1C	ZINC001242131352	822888224	/nfs/dbraw/zinc/88/82/24/822888224.db2.gz	IHRIHOZFQQHQMW-UHFFFAOYSA-N	-1	0	293.248	3.357	20	30		CGEDRM
Cc1cc(-c2cc(C(=O)[O-])cc(F)c2C)ncc1C#N	ZINC001242205953	822909811	/nfs/dbraw/zinc/90/98/11/822909811.db2.gz	YJQHBJFFXQWLOY-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3ccc(F)cc3[O-])cc12	ZINC001242219090	822915763	/nfs/dbraw/zinc/91/57/63/822915763.db2.gz	WVGVQRKQMNPSCE-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
COc1cc(-c2cccc(CC(=O)[O-])c2)ccc1CC#N	ZINC001242262217	822929300	/nfs/dbraw/zinc/92/93/00/822929300.db2.gz	KPTIYNGRIFUZTK-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1cccc(CC(=O)[O-])c1	ZINC001242264670	822930828	/nfs/dbraw/zinc/93/08/28/822930828.db2.gz	YKODLFYHKLYMNZ-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
C=CCOCc1cccc(-c2ccc(C(=O)[O-])nc2)c1	ZINC001242337926	822954565	/nfs/dbraw/zinc/95/45/65/822954565.db2.gz	RXBTVPARWLJUTP-UHFFFAOYSA-N	-1	0	269.300	3.149	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc2[nH]cc(C#N)c2c1	ZINC001242390720	822978896	/nfs/dbraw/zinc/97/88/96/822978896.db2.gz	CTBHFNCSOPRNJE-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#Cc1cc(-c2nc(C(F)(F)F)ccc2C#N)ccc1[O-]	ZINC001242562415	823032586	/nfs/dbraw/zinc/03/25/86/823032586.db2.gz	XKMBAYLCTMJYIY-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
Cc1cc(C(F)(F)F)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562690	823033159	/nfs/dbraw/zinc/03/31/59/823033159.db2.gz	HVRAOMSBMMVQLR-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1cc(-c2ccc([O-])c(C#N)c2)cc(F)c1C#N	ZINC001242565854	823036256	/nfs/dbraw/zinc/03/62/56/823036256.db2.gz	VNYRXQLFFPPRHZ-UHFFFAOYSA-N	-1	0	252.248	3.250	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC001339875471	936389558	/nfs/dbraw/zinc/38/95/58/936389558.db2.gz	KDEUGUODTRUDQA-CYBMUJFWSA-N	-1	0	296.411	3.018	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2occ(C)c2C)n1	ZINC001341198242	936430448	/nfs/dbraw/zinc/43/04/48/936430448.db2.gz	KRKWNOCKKAGPPN-SNVBAGLBSA-N	-1	0	260.318	3.151	20	30		CGEDRM
N#Cc1cc(Nc2nonc2C2CC2)ccc1Cl	ZINC001174402505	928231594	/nfs/dbraw/zinc/23/15/94/928231594.db2.gz	KIUIDFTWMUYUID-UHFFFAOYSA-N	-1	0	260.684	3.216	20	30		CGEDRM
C=CC(C)(C)CNC(=O)c1cccc(Br)c1[O-]	ZINC001449452493	937379264	/nfs/dbraw/zinc/37/92/64/937379264.db2.gz	GJBDRHZXFNRWIM-UHFFFAOYSA-N	-1	0	298.180	3.097	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1Cl	ZINC001228898295	932046421	/nfs/dbraw/zinc/04/64/21/932046421.db2.gz	FHPQXVSLQZJRHS-SECBINFHSA-N	-1	0	274.707	3.452	20	30		CGEDRM
CCC#C[C@@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050398	932666043	/nfs/dbraw/zinc/66/60/43/932666043.db2.gz	SLUBEZYBYWDTEV-SSDOTTSWSA-N	-1	0	284.146	3.445	20	30		CGEDRM
N#Cc1cncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)c1	ZINC001242273761	932701675	/nfs/dbraw/zinc/70/16/75/932701675.db2.gz	BIKXNWFVOMGRFZ-IFRROFPPSA-N	-1	0	291.232	3.447	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2c(c1)CCC2	ZINC001318766893	933776280	/nfs/dbraw/zinc/77/62/80/933776280.db2.gz	WLBKXAPHELVHML-UHFFFAOYSA-N	-1	0	280.327	3.320	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1	ZINC001467351532	937717797	/nfs/dbraw/zinc/71/77/97/937717797.db2.gz	OWWLWFFKTUXOEZ-UHFFFAOYSA-N	-1	0	289.693	3.418	20	30		CGEDRM
COc1cc(O)ccc1/C=C/C(=O)c1ccccc1[O-]	ZINC001319243079	933846608	/nfs/dbraw/zinc/84/66/08/933846608.db2.gz	HXBNENMARBAMFE-VQHVLOKHSA-N	-1	0	270.284	3.003	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccccc2C)CCCC1	ZINC001469742587	937743159	/nfs/dbraw/zinc/74/31/59/937743159.db2.gz	ZVUDWBYIILDQKD-UHFFFAOYSA-N	-1	0	273.376	3.431	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1F	ZINC001321266052	934170399	/nfs/dbraw/zinc/17/03/99/934170399.db2.gz	WDFXCJGQRVGZHA-HWKANZROSA-N	-1	0	278.304	3.498	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001332147530	935443213	/nfs/dbraw/zinc/44/32/13/935443213.db2.gz	TVCJVOIASFXHBX-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1	ZINC001336243493	936183321	/nfs/dbraw/zinc/18/33/21/936183321.db2.gz	VCNMTEWRVXRYAQ-HIFRSBDPSA-N	-1	0	289.375	3.229	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccsc2Cl)c1	ZINC001546332203	938000476	/nfs/dbraw/zinc/00/04/76/938000476.db2.gz	ASQOKHFDVYXEQY-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001517333595	938011859	/nfs/dbraw/zinc/01/18/59/938011859.db2.gz	SNSDDOAQBHSVCL-UHFFFAOYSA-N	-1	0	261.321	3.242	20	30		CGEDRM
Cc1cc(OCc2cccc(C#N)c2)c(C(=O)[O-])s1	ZINC000070428886	957672310	/nfs/dbraw/zinc/67/23/10/957672310.db2.gz	KDWRFDGVMNZPBC-UHFFFAOYSA-N	-1	0	273.313	3.205	20	30		CGEDRM
Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1F	ZINC000017701222	957720237	/nfs/dbraw/zinc/72/02/37/957720237.db2.gz	YCOBJVVOLQQFRI-RQZCQDPDSA-N	-1	0	288.278	3.367	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000113651095	958448583	/nfs/dbraw/zinc/44/85/83/958448583.db2.gz	MDKCZEQQJFJZGM-OLZOCXBDSA-N	-1	0	269.385	3.107	20	30		CGEDRM
C[C@@H](CC(=O)[O-])SCc1ccc(C#N)cc1Cl	ZINC000162520695	959216852	/nfs/dbraw/zinc/21/68/52/959216852.db2.gz	OPVXXVXSPBLCKM-QMMMGPOBSA-N	-1	0	269.753	3.308	20	30		CGEDRM
Cc1nc(N[C@@H](CC(C)(C)C)C(=O)[O-])c(Cl)cc1C#N	ZINC001600713964	960541952	/nfs/dbraw/zinc/54/19/52/960541952.db2.gz	FSCUHVVAEUAJIO-NSHDSACASA-N	-1	0	295.770	3.216	20	30		CGEDRM
C=CCCC[C@H](C(=O)[N-]OCC=C)c1ccccc1	ZINC001569151040	961714183	/nfs/dbraw/zinc/71/41/83/961714183.db2.gz	WAKAGXKEAQLRQB-HNNXBMFYSA-N	-1	0	259.349	3.360	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CCCc2cc(C(=O)[O-])ccc21	ZINC001573329426	962253302	/nfs/dbraw/zinc/25/33/02/962253302.db2.gz	FPRKMZJNENQEJO-UHFFFAOYSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=C(C)[C@H](C)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588529868	962762728	/nfs/dbraw/zinc/76/27/28/962762728.db2.gz	JMPVJEIOHBYWIK-QMMMGPOBSA-N	-1	0	268.696	3.160	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C2CCCCC2)C1	ZINC001573332030	962822193	/nfs/dbraw/zinc/82/21/93/962822193.db2.gz	GVNWMWVEDHOZAJ-OAHLLOKOSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-]	ZINC001573346872	962944146	/nfs/dbraw/zinc/94/41/46/962944146.db2.gz	HHTNMUFYCKXDBP-LRDDRELGSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C[C@@H](CC)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588693506	963062740	/nfs/dbraw/zinc/06/27/40/963062740.db2.gz	ZXEPKBYBOSGZKG-VIFPVBQESA-N	-1	0	268.696	3.160	20	30		CGEDRM
C=C(CNc1cccc(F)c1-c1nn[nH]n1)c1ccccc1	ZINC001588444215	963272457	/nfs/dbraw/zinc/27/24/57/963272457.db2.gz	QZQDEWZXUOACDS-UHFFFAOYSA-N	-1	0	295.321	3.131	20	30		CGEDRM
C#C[C@@H](C)N(C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588368136	963272979	/nfs/dbraw/zinc/27/29/79/963272979.db2.gz	GZCBMHOEFHOQDJ-LLVKDONJSA-N	-1	0	296.326	3.023	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588460400	963275091	/nfs/dbraw/zinc/27/50/91/963275091.db2.gz	DRDKIBAORUCUBQ-KRWDZBQOSA-N	-1	0	287.359	3.245	20	30		CGEDRM
C=CC1(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CCCCC1	ZINC001588452242	963275422	/nfs/dbraw/zinc/27/54/22/963275422.db2.gz	MBMCRGMZBFFTJT-JSGCOSHPSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)CCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21	ZINC001588555098	963286977	/nfs/dbraw/zinc/28/69/77/963286977.db2.gz	YUHVRDYPGNGESM-KRWDZBQOSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2o1	ZINC001588630635	963289541	/nfs/dbraw/zinc/28/95/41/963289541.db2.gz	UTEIPLMTYQRAOY-NSHDSACASA-N	-1	0	287.315	3.031	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC001588624690	963292236	/nfs/dbraw/zinc/29/22/36/963292236.db2.gz	SIORCBXGGIUYKS-VHDGCEQUSA-N	-1	0	295.423	3.232	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(OCC(C)C)c1	ZINC001588633625	963293123	/nfs/dbraw/zinc/29/31/23/963293123.db2.gz	KSBNQMCFDFRHAW-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=C(CC)CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC001588606589	963294913	/nfs/dbraw/zinc/29/49/13/963294913.db2.gz	ASSMPDVLJRPJHG-UHFFFAOYSA-N	-1	0	291.376	3.384	20	30		CGEDRM
C=C[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1	ZINC001588664918	963297544	/nfs/dbraw/zinc/29/75/44/963297544.db2.gz	ZMXNTTPYPLNQAF-INIZCTEOSA-N	-1	0	295.338	3.222	20	30		CGEDRM
C=C[C@@H](S[C@@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588714299	963303615	/nfs/dbraw/zinc/30/36/15/963303615.db2.gz	FHGSXMFYUAHOGX-JOYOIKCWSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=C[C@H](OC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1	ZINC001588713364	963304359	/nfs/dbraw/zinc/30/43/59/963304359.db2.gz	VPPAQIVUEHRQKP-MARXPDLDSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=C[C@@H](Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-]	ZINC001588702141	963305609	/nfs/dbraw/zinc/30/56/09/963305609.db2.gz	KKRQDSWEGARDEE-SNVBAGLBSA-N	-1	0	274.345	3.225	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588691085	963306777	/nfs/dbraw/zinc/30/67/77/963306777.db2.gz	QUMJAVIZNOKMBT-MRVPVSSYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=CCC(C)(C)C(=O)Oc1ccc(SCC(=O)[O-])cc1	ZINC001588736741	963308580	/nfs/dbraw/zinc/30/85/80/963308580.db2.gz	TWHYOMFVIGSHRP-UHFFFAOYSA-N	-1	0	294.372	3.371	20	30		CGEDRM
C=CC[C@H](C(=O)[O-])N1CC[C@@H](CCOC)c2ccccc21	ZINC001588729499	963309380	/nfs/dbraw/zinc/30/93/80/963309380.db2.gz	RCKUJZMFQTXWOW-XJKSGUPXSA-N	-1	0	289.375	3.046	20	30		CGEDRM
C=CC[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)[O-]	ZINC001588761876	963309445	/nfs/dbraw/zinc/30/94/45/963309445.db2.gz	CRMCQPPKDWDQHP-NSHDSACASA-N	-1	0	295.408	3.049	20	30		CGEDRM
C=CC[C@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccccc1	ZINC001588757040	963310879	/nfs/dbraw/zinc/31/08/79/963310879.db2.gz	SWPLKDFKGYXDTH-AWEZNQCLSA-N	-1	0	285.299	3.187	20	30		CGEDRM
C=CC[C@H](Nc1cccc(C(C)(F)F)c1)C(=O)[O-]	ZINC001588750053	963311170	/nfs/dbraw/zinc/31/11/70/963311170.db2.gz	BURLIIUBIDWFHQ-NSHDSACASA-N	-1	0	255.264	3.240	20	30		CGEDRM
C=CC[C@@H](C(=O)[O-])N1CCCc2c(OC(F)F)cccc21	ZINC001588729991	963312016	/nfs/dbraw/zinc/31/20/16/963312016.db2.gz	OKPIQKLQGHNEQQ-LBPRGKRZSA-N	-1	0	297.301	3.070	20	30		CGEDRM
C=CCCCC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21	ZINC001588781587	963315193	/nfs/dbraw/zinc/31/51/93/963315193.db2.gz	CQEIHBMVYRXSPB-UHFFFAOYSA-N	-1	0	287.359	3.329	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)OCc1ccccc1C)C(=O)[O-]	ZINC001588794355	963315402	/nfs/dbraw/zinc/31/54/02/963315402.db2.gz	RPVGGZAPTZREMC-CQSZACIVSA-N	-1	0	291.347	3.031	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@]1(C)CCC(C)=C(C)C1)C(=O)[O-]	ZINC001588787689	963316038	/nfs/dbraw/zinc/31/60/38/963316038.db2.gz	XSLASYNLIWHNIN-WMLDXEAASA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CCCCC(=O)Nc1c(CC)cccc1C(=O)[O-]	ZINC001588782961	963316521	/nfs/dbraw/zinc/31/65/21/963316521.db2.gz	QTERTMOEPALKRD-UHFFFAOYSA-N	-1	0	261.321	3.242	20	30		CGEDRM
C=CCC[C@@H](C)OC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588777724	963316679	/nfs/dbraw/zinc/31/66/79/963316679.db2.gz	HREQEVUAUWGDAZ-UWTIGNOOSA-N	-1	0	280.364	3.310	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588776852	963317419	/nfs/dbraw/zinc/31/74/19/963317419.db2.gz	KBJFQQDLTAXGFL-UHFFFAOYSA-N	-1	0	293.338	3.246	20	30		CGEDRM
C=CCCC(=O)Oc1cccc2c(CC(=O)[O-])cccc12	ZINC001588776756	963318668	/nfs/dbraw/zinc/31/86/68/963318668.db2.gz	DWJREUUDEGQVEB-UHFFFAOYSA-N	-1	0	284.311	3.339	20	30		CGEDRM
C=CCCNc1ccc(C(=O)[O-])cc1OCC(F)F	ZINC001588808991	963322376	/nfs/dbraw/zinc/32/23/76/963322376.db2.gz	UTCXNTZZYQQXRM-UHFFFAOYSA-N	-1	0	271.263	3.017	20	30		CGEDRM
CC(=NN[C@@H]1CCCCC1(C)C)c1ncc(C(=O)[O-])s1	ZINC001589016601	963342272	/nfs/dbraw/zinc/34/22/72/963342272.db2.gz	CIIZLEONTBFRHP-LLVKDONJSA-N	-1	0	295.408	3.124	20	30		CGEDRM
CC(C)(C#N)CCOc1ccc(C(=O)[O-])c(Cl)c1	ZINC001589554972	964000992	/nfs/dbraw/zinc/00/09/92/964000992.db2.gz	ZNDXSQPBGBHPBU-UHFFFAOYSA-N	-1	0	267.712	3.357	20	30		CGEDRM
CCCCCCCCCC(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001589644918	964011388	/nfs/dbraw/zinc/01/13/88/964011388.db2.gz	FWWXQMQQXJYJHR-UHFFFAOYSA-N	-1	0	281.356	3.187	20	30		CGEDRM
C#CCCCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001588439690	964031022	/nfs/dbraw/zinc/03/10/22/964031022.db2.gz	DYEXNXGWIWRQDT-HNNXBMFYSA-N	-1	0	286.327	3.109	20	30		CGEDRM
Cc1nc(Cl)cc(N=NC(C)CC(C)(C)CC(=O)[O-])n1	ZINC001592445239	978110826	/nfs/dbraw/zinc/11/08/26/978110826.db2.gz	XVAUUPXUXYEWRR-UHFFFAOYSA-N	-1	0	298.774	3.117	20	30		CGEDRM
CCC(CC)(C/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001595063479	979323832	/nfs/dbraw/zinc/32/38/32/979323832.db2.gz	XZADINZSGPPCBJ-PXNMLYILSA-N	-1	0	283.755	3.356	20	30		CGEDRM
C[C@H](Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1)C(=O)[O-]	ZINC001592877927	979747080	/nfs/dbraw/zinc/74/70/80/979747080.db2.gz	RLMQQWFGZURDCA-IVMMDQJWSA-N	-1	0	286.375	3.444	20	30		CGEDRM
CC[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001595436164	981068100	/nfs/dbraw/zinc/06/81/00/981068100.db2.gz	PJHGSMULLIQYQW-GHMZBOCLSA-N	-1	0	273.336	3.032	20	30		CGEDRM
CCC[C@@H](CC)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595586191	981529781	/nfs/dbraw/zinc/52/97/81/981529781.db2.gz	RIDCISYKJMIWJD-OCCSQVGLSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCC[C@@H](CC)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595586192	981530045	/nfs/dbraw/zinc/53/00/45/981530045.db2.gz	RIDCISYKJMIWJD-TZMCWYRMSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCCCCC[C@@H](C)NN=Cc1ccc(C(=O)[O-])n1C	ZINC001595697242	982239351	/nfs/dbraw/zinc/23/93/51/982239351.db2.gz	IXVYZZHHLCLKRP-GFCCVEGCSA-N	-1	0	279.384	3.006	20	30		CGEDRM
CCCCCCC[S@](=O)Cc1nc(C(=O)[O-])cs1	ZINC001595708682	982285385	/nfs/dbraw/zinc/28/53/85/982285385.db2.gz	AHDKTMQMHIWGCA-SFHVURJKSA-N	-1	0	289.422	3.060	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)s1	ZINC001597494946	988039143	/nfs/dbraw/zinc/03/91/43/988039143.db2.gz	MMJHPDQJKYFGQE-GQCTYLIASA-N	-1	0	289.356	3.243	20	30		CGEDRM
CC(C)(CCNc1cccc(OCCCC#N)c1)C(=O)[O-]	ZINC001590693540	990409944	/nfs/dbraw/zinc/40/99/44/990409944.db2.gz	UJEHQPDLXMICGK-UHFFFAOYSA-N	-1	0	290.363	3.282	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1cc(C(=O)[O-])cs1	ZINC001599722431	991562620	/nfs/dbraw/zinc/56/26/20/991562620.db2.gz	KFLLRFACCJPQJE-IHWYPQMZSA-N	-1	0	294.353	3.413	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)CO1	ZINC001593842981	996606680	/nfs/dbraw/zinc/60/66/80/996606680.db2.gz	YULAMNVEJZXRLF-UHFFFAOYSA-N	-1	0	282.727	3.005	20	30		CGEDRM
COc1cc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1C	ZINC001599389990	997015246	/nfs/dbraw/zinc/01/52/46/997015246.db2.gz	PEEZNLROBSHWOT-ALCCZGGFSA-N	-1	0	299.326	3.234	20	30		CGEDRM
COc1cc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1C	ZINC001599389991	997015627	/nfs/dbraw/zinc/01/56/27/997015627.db2.gz	PEEZNLROBSHWOT-FNORWQNLSA-N	-1	0	299.326	3.234	20	30		CGEDRM
COCc1ccccc1NCc1cccc(C(=O)[O-])c1C#N	ZINC001599296261	997147578	/nfs/dbraw/zinc/14/75/78/997147578.db2.gz	KFUJVYCVTOZQDP-UHFFFAOYSA-N	-1	0	296.326	3.015	20	30		CGEDRM
COCC[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1F	ZINC001599220454	997657628	/nfs/dbraw/zinc/65/76/28/997657628.db2.gz	HJSIPJYZCSNWDH-SNVBAGLBSA-N	-1	0	294.326	3.128	20	30		CGEDRM
COc1ccc(C#N)cc1N[C@@H](C)CC(C)(C)CC(=O)[O-]	ZINC001599477019	998548973	/nfs/dbraw/zinc/54/89/73/998548973.db2.gz	UFZMSBIXCGOYAA-NSHDSACASA-N	-1	0	290.363	3.258	20	30		CGEDRM
C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1	ZINC000076755582	260166498	/nfs/dbraw/zinc/16/64/98/260166498.db2.gz	JYRJQAULDLGGAR-NWDGAFQWSA-N	-1	0	281.377	3.158	20	30		CGEDRM
C=CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000590552403	346850406	/nfs/dbraw/zinc/85/04/06/346850406.db2.gz	LBWRFPXIWVGRIC-UHFFFAOYSA-N	-1	0	298.298	3.133	20	30		CGEDRM
N#Cc1ccsc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000172357878	346219798	/nfs/dbraw/zinc/21/97/98/346219798.db2.gz	WOZIXUWELJWBHC-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
CCc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1F	ZINC000586874482	346741332	/nfs/dbraw/zinc/74/13/32/346741332.db2.gz	DKESOCRPRLPUPZ-UHFFFAOYSA-N	-1	0	284.290	3.218	20	30		CGEDRM
C=CCN=c1[n-]nc(S[C@H]2CCC[C@H](C)C2)s1	ZINC000605075990	348146292	/nfs/dbraw/zinc/14/62/92/348146292.db2.gz	BZCWRMOOCJQQTQ-UWVGGRQHSA-N	-1	0	269.439	3.229	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000630263843	350819930	/nfs/dbraw/zinc/81/99/30/350819930.db2.gz	ARGKPHQIMOVJLN-OAHLLOKOSA-N	-1	0	293.407	3.152	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630314273	350823302	/nfs/dbraw/zinc/82/33/02/350823302.db2.gz	PMLBLRLTXUNOJG-UHFFFAOYSA-N	-1	0	279.336	3.008	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630325061	350823762	/nfs/dbraw/zinc/82/37/62/350823762.db2.gz	GWURIHQBIJVZAK-UKRRQHHQSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)CC)ccc2[O-])C1	ZINC000633157282	351248975	/nfs/dbraw/zinc/24/89/75/351248975.db2.gz	MZEBZPMRHKRNBJ-UHFFFAOYSA-N	-1	0	273.332	3.280	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634899128	351601630	/nfs/dbraw/zinc/60/16/30/351601630.db2.gz	DEYKPSNBIJEBSW-MLGOLLRUSA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(F)cc(F)c2)n1	ZINC000041521418	369189454	/nfs/dbraw/zinc/18/94/54/369189454.db2.gz	WOEUDSNICVIAGY-LLVKDONJSA-N	-1	0	278.283	3.220	20	30		CGEDRM
O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708518	369296365	/nfs/dbraw/zinc/29/63/65/369296365.db2.gz	PPUWBPYNBDOZQY-VAWYXSNFSA-N	-1	0	287.340	3.045	20	30		CGEDRM
Cc1cc(C)cc(C2(C(=O)[N-]S(=O)(=O)C(C)C)CC2)c1	ZINC000049418181	369401209	/nfs/dbraw/zinc/40/12/09/369401209.db2.gz	NITJWXOMSKVSTF-UHFFFAOYSA-N	-1	0	295.404	3.030	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)oc1C	ZINC000128573448	370963866	/nfs/dbraw/zinc/96/38/66/370963866.db2.gz	VMOLXJGRUDEPGZ-LBPRGKRZSA-N	-1	0	293.326	3.273	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1cc(C2(C)CCCC2)on1	ZINC000427784072	372175083	/nfs/dbraw/zinc/17/50/83/372175083.db2.gz	MWZAAEHIRKEMGT-UHFFFAOYSA-N	-1	0	298.408	3.214	20	30		CGEDRM
Cc1cc(C(=O)[C@@H](C#N)c2nc3c(cccc3C)[nH]2)co1	ZINC000444453594	373190664	/nfs/dbraw/zinc/19/06/64/373190664.db2.gz	JNOBHYKOPKWRDI-GFCCVEGCSA-N	-1	0	279.299	3.263	20	30		CGEDRM
Cc1cnc([C@H](NC(=O)c2csc(=O)[nH]2)C2CC2)s1	ZINC000329963187	374445257	/nfs/dbraw/zinc/44/52/57/374445257.db2.gz	TWQUFXQTRQCWCG-SECBINFHSA-N	-1	0	295.389	3.070	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1	ZINC000184175764	374502745	/nfs/dbraw/zinc/50/27/45/374502745.db2.gz	SSNZTEOSHJAGBG-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CCCC[C@H](CC)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000464100873	374862865	/nfs/dbraw/zinc/86/28/65/374862865.db2.gz	KFAKGALSCWQPJO-LBPRGKRZSA-N	-1	0	290.411	3.087	20	30		CGEDRM
CSCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000188098730	375157382	/nfs/dbraw/zinc/15/73/82/375157382.db2.gz	VYNFIIQWWGFYMB-UHFFFAOYSA-N	-1	0	298.367	3.379	20	30		CGEDRM
CC(C)c1cnc(NC(=O)c2ccc(C#N)c([O-])c2)s1	ZINC000188568290	375232109	/nfs/dbraw/zinc/23/21/09/375232109.db2.gz	VMIAGMZGRULMTD-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)n1	ZINC000338863117	376551797	/nfs/dbraw/zinc/55/17/97/376551797.db2.gz	UKCZGDXMEPGMAV-LBPRGKRZSA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000555921144	376859695	/nfs/dbraw/zinc/85/96/95/376859695.db2.gz	XDWAYYBTNFOADO-ZDUSSCGKSA-N	-1	0	281.396	3.130	20	30		CGEDRM
N#C[C@@H](C(=O)c1csc2ccccc12)c1ccncn1	ZINC000354459501	380448197	/nfs/dbraw/zinc/44/81/97/380448197.db2.gz	DFGHNAZJDLMQHS-LLVKDONJSA-N	-1	0	279.324	3.181	20	30		CGEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000236622122	130962597	/nfs/dbraw/zinc/96/25/97/130962597.db2.gz	REFMEEQIYHYCHK-UHFFFAOYSA-N	-1	0	277.320	3.077	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)co1	ZINC000647379276	392712555	/nfs/dbraw/zinc/71/25/55/392712555.db2.gz	XBPDMGPMKZHNDX-VIFPVBQESA-N	-1	0	287.344	3.061	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000647378889	392712700	/nfs/dbraw/zinc/71/27/00/392712700.db2.gz	JTRPXCOJILBYEO-SNVBAGLBSA-N	-1	0	287.344	3.115	20	30		CGEDRM
CC(C)C[C@@H](CNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000094703538	165354561	/nfs/dbraw/zinc/35/45/61/165354561.db2.gz	NCEWBCDWMBAUJM-NSHDSACASA-N	-1	0	280.755	3.370	20	30		CGEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000334655047	225258925	/nfs/dbraw/zinc/25/89/25/225258925.db2.gz	LWNFMIVHFIOYSS-INWYIAFRSA-N	-1	0	285.130	3.187	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)ns1	ZINC000683689448	543931732	/nfs/dbraw/zinc/93/17/32/543931732.db2.gz	WEDWNHGURDXSCK-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000653331202	419027210	/nfs/dbraw/zinc/02/72/10/419027210.db2.gz	OFRFKARTZAVUDA-HOTGVXAUSA-N	-1	0	299.370	3.184	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000076765576	260166752	/nfs/dbraw/zinc/16/67/52/260166752.db2.gz	YQUWMZIBWWUUPC-MNOVXSKESA-N	-1	0	299.367	3.297	20	30		CGEDRM
CCS[C@@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)C(C)C	ZINC000066629091	260247529	/nfs/dbraw/zinc/24/75/29/260247529.db2.gz	SBEGCGWLVXYMAY-ZCFIWIBFSA-N	-1	0	296.318	3.189	20	30		CGEDRM
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ncn(C)n1	ZINC000275404710	263033199	/nfs/dbraw/zinc/03/31/99/263033199.db2.gz	BQHYTIGPMHYFPL-JGSFKELHSA-N	-1	0	299.161	3.008	20	30		CGEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000281084875	263066618	/nfs/dbraw/zinc/06/66/18/263066618.db2.gz	WUWDBODVCYHUNI-QPJJXVBHSA-N	-1	0	286.331	3.080	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1	ZINC000357665112	266342580	/nfs/dbraw/zinc/34/25/80/266342580.db2.gz	NVKYNMVFNLNDJY-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1	ZINC000353855302	303189288	/nfs/dbraw/zinc/18/92/88/303189288.db2.gz	CSRKSKSOROEITC-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CC(=Cc1ccc(Cl)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000571175059	322292124	/nfs/dbraw/zinc/29/21/24/322292124.db2.gz	GCIYMGVCBYQUOV-VQHVLOKHSA-N	-1	0	285.734	3.164	20	30		CGEDRM
C=CCn1c([C@H](C)CC)n[n-]c1=Nc1cccc(OC)c1	ZINC000558452869	327095431	/nfs/dbraw/zinc/09/54/31/327095431.db2.gz	UGTULUSEXINEAC-GFCCVEGCSA-N	-1	0	286.379	3.152	20	30		CGEDRM
C=CCOc1ccc(CN=c2nc(C(C)C)[n-]s2)cc1	ZINC000584308569	327234612	/nfs/dbraw/zinc/23/46/12/327234612.db2.gz	NJVVQDPMTQISBS-UHFFFAOYSA-N	-1	0	289.404	3.260	20	30		CGEDRM
COc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041546306	329566041	/nfs/dbraw/zinc/56/60/41/329566041.db2.gz	YPNNXVRKFXKYTI-LBPRGKRZSA-N	-1	0	292.294	3.326	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@H](C)CC1CCCCC1)C(=O)[O-]	ZINC000262834876	330034879	/nfs/dbraw/zinc/03/48/79/330034879.db2.gz	GHHVPTHSNPSHRQ-OCCSQVGLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1ccncc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000426191577	330501377	/nfs/dbraw/zinc/50/13/77/330501377.db2.gz	VJUUBUAZRSXOQP-NSHDSACASA-N	-1	0	277.283	3.021	20	30		CGEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000551927627	334266434	/nfs/dbraw/zinc/26/64/34/334266434.db2.gz	HXDZFRFJYPQGKC-JTQLQIEISA-N	-1	0	295.298	3.177	20	30		CGEDRM
C=CC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000577496413	335359471	/nfs/dbraw/zinc/35/94/71/335359471.db2.gz	OXXOZIHYYZVKMF-UHFFFAOYSA-N	-1	0	290.319	3.004	20	30		CGEDRM
C=CC(C)(C)CNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000384875192	336133208	/nfs/dbraw/zinc/13/32/08/336133208.db2.gz	RYBIRYHPHJFVRR-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccccc1C(=O)[O-]	ZINC000050913546	526008550	/nfs/dbraw/zinc/00/85/50/526008550.db2.gz	JWCLXVMUKIDICF-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
O=C([O-])c1cc(F)ccc1CON=Cc1ccccc1F	ZINC000740077576	571685011	/nfs/dbraw/zinc/68/50/11/571685011.db2.gz	LUNMNWHMTJMMKS-UHFFFAOYSA-N	-1	0	291.253	3.214	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)ccc1O	ZINC000728231669	571797313	/nfs/dbraw/zinc/79/73/13/571797313.db2.gz	MZUYJWMYJPICQT-UTCJRWHESA-N	-1	0	299.282	3.211	20	30		CGEDRM
Cc1ncccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000728778111	571820094	/nfs/dbraw/zinc/82/00/94/571820094.db2.gz	OUYZTKABCOICMZ-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
Cc1ncccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000728786174	571822077	/nfs/dbraw/zinc/82/20/77/571822077.db2.gz	UAVIXYMJNKYZQJ-PLNGDYQASA-N	-1	0	273.313	3.046	20	30		CGEDRM
Cc1ccc([C@H](CNc2cccc(F)c2C#N)C(=O)[O-])cc1	ZINC000738567483	571863856	/nfs/dbraw/zinc/86/38/56/571863856.db2.gz	GDYUZMBTRXKPKT-AWEZNQCLSA-N	-1	0	298.317	3.286	20	30		CGEDRM
COc1ccc(O)c(/C=N/[C@@H](CC(=O)[O-])c2ccccc2)c1	ZINC000738041828	572363199	/nfs/dbraw/zinc/36/31/99/572363199.db2.gz	MGBHWDOQHDCWAQ-LZNAANCOSA-N	-1	0	299.326	3.036	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1cocn1	ZINC000730733152	572370497	/nfs/dbraw/zinc/37/04/97/572370497.db2.gz	VGBCXLYBQSKTTM-LZWSPWQCSA-N	-1	0	271.103	3.306	20	30		CGEDRM
C[C@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000730950575	572385652	/nfs/dbraw/zinc/38/56/52/572385652.db2.gz	GGDFFOAVNZIRFX-NTFNZPQYSA-N	-1	0	262.309	3.298	20	30		CGEDRM
Cc1ccccc1C=NOCc1ccc(F)cc1C(=O)[O-]	ZINC000738768684	572390920	/nfs/dbraw/zinc/39/09/20/572390920.db2.gz	MZEGEMBEPQSBPO-UHFFFAOYSA-N	-1	0	287.290	3.383	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(NCc2ccc(C#N)cc2)cc1	ZINC000739017145	572398685	/nfs/dbraw/zinc/39/86/85/572398685.db2.gz	OCYXIALEZJUEDY-GFCCVEGCSA-N	-1	0	295.342	3.499	20	30		CGEDRM
N#Cc1ccc([C@H](Nc2ccc(F)c(F)c2)C(=O)[O-])cc1	ZINC000739110545	572402133	/nfs/dbraw/zinc/40/21/33/572402133.db2.gz	QXIKNBJVKOFICI-AWEZNQCLSA-N	-1	0	288.253	3.074	20	30		CGEDRM
Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1F	ZINC000731486055	572413906	/nfs/dbraw/zinc/41/39/06/572413906.db2.gz	MQFAXNJLVZPPCR-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1nccs1	ZINC000732622538	572474549	/nfs/dbraw/zinc/47/45/49/572474549.db2.gz	UCXIATYKRFKXPS-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C12CCC2	ZINC000741159761	572486222	/nfs/dbraw/zinc/48/62/22/572486222.db2.gz	OENWDBNKFVLKFS-AWEZNQCLSA-N	-1	0	288.347	3.132	20	30		CGEDRM
C=CCOc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1	ZINC000736113785	572768869	/nfs/dbraw/zinc/76/88/69/572768869.db2.gz	GAYASJHBNCYJBM-VBKFSLOCSA-N	-1	0	281.311	3.272	20	30		CGEDRM
C[C@@H](Oc1cccc(C(=O)/C=C\c2ccccc2)c1)C(=O)[O-]	ZINC000745022176	572789232	/nfs/dbraw/zinc/78/92/32/572789232.db2.gz	YFNYPCXDKQLYAR-BSYHEUMXSA-N	-1	0	296.322	3.435	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000748133824	572962377	/nfs/dbraw/zinc/96/23/77/572962377.db2.gz	RLWQEKNOUXBUNA-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
CCC[C@H](C)C(CC)N=Nc1nc(C)cc(=O)[n-]1	ZINC000748245585	572970328	/nfs/dbraw/zinc/97/03/28/572970328.db2.gz	BBQFRBQMJYOZSJ-VIFPVBQESA-N	-1	0	250.346	3.105	20	30		CGEDRM
Cc1c(Cl)cccc1NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000749814984	573040921	/nfs/dbraw/zinc/04/09/21/573040921.db2.gz	INJXEBYWEKQVMX-UHFFFAOYSA-N	-1	0	277.711	3.121	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000899298779	620636835	/nfs/dbraw/zinc/63/68/35/620636835.db2.gz	RFPABNPQESYUBF-LLVKDONJSA-N	-1	0	275.348	3.488	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000899298783	620636907	/nfs/dbraw/zinc/63/69/07/620636907.db2.gz	RFPABNPQESYUBF-NSHDSACASA-N	-1	0	275.348	3.488	20	30		CGEDRM
N#Cc1cnc2ccccc2c1NC1CCC(C(=O)[O-])CC1	ZINC000261615109	598145697	/nfs/dbraw/zinc/14/56/97/598145697.db2.gz	FPPFDHHBJIQPCC-UHFFFAOYSA-N	-1	0	295.342	3.162	20	30		CGEDRM
CCn1nc(C)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1C	ZINC000774126289	598201687	/nfs/dbraw/zinc/20/16/87/598201687.db2.gz	IJOJVICRQKHHQK-CMDGGOBGSA-N	-1	0	298.342	3.114	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000158010456	599823054	/nfs/dbraw/zinc/82/30/54/599823054.db2.gz	FSXAHGUEOZMOMN-UHFFFAOYSA-N	-1	0	290.363	3.134	20	30		CGEDRM
CC#CCOC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000825711282	601114725	/nfs/dbraw/zinc/11/47/25/601114725.db2.gz	XHSKWBDZJPSKBR-UHFFFAOYSA-N	-1	0	294.306	3.232	20	30		CGEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCCc3ccccc32)c1	ZINC000833074375	601309991	/nfs/dbraw/zinc/30/99/91/601309991.db2.gz	WQMQONJIGNHPEZ-QGZVFWFLSA-N	-1	0	292.338	3.137	20	30		CGEDRM
Cc1ccc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832923707	601330872	/nfs/dbraw/zinc/33/08/72/601330872.db2.gz	BDJVBBYSGJNZPZ-SOFGYWHQSA-N	-1	0	269.300	3.226	20	30		CGEDRM
CCCCCCCCCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000111252382	601710676	/nfs/dbraw/zinc/71/06/76/601710676.db2.gz	LBKGVYFDMXWBHH-ZIAGYGMSSA-N	-1	0	283.412	3.306	20	30		CGEDRM
CC1(C)c2ccccc2C(=O)/C1=C\c1c[nH]c(C(=O)[O-])c1	ZINC000828042150	601792889	/nfs/dbraw/zinc/79/28/89/601792889.db2.gz	QRTQASXOYRORKT-NTUHNPAUSA-N	-1	0	281.311	3.270	20	30		CGEDRM
CC(C)(C#N)CCCNc1cc(C(=O)[O-])c(F)cc1F	ZINC000826071164	601905102	/nfs/dbraw/zinc/90/51/02/601905102.db2.gz	JOBFKUMKUSTQGI-UHFFFAOYSA-N	-1	0	282.290	3.405	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1cc(C)c(C(=O)[O-])o1	ZINC000825665254	602195524	/nfs/dbraw/zinc/19/55/24/602195524.db2.gz	XHHGCEUSGKUQBM-UHFFFAOYSA-N	-1	0	278.304	3.098	20	30		CGEDRM
Cc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1CCC#N	ZINC000899361660	620666755	/nfs/dbraw/zinc/66/67/55/620666755.db2.gz	AROLTHGHQFAACK-NSHDSACASA-N	-1	0	275.739	3.291	20	30		CGEDRM
C=CCCCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1	ZINC000823496149	604019539	/nfs/dbraw/zinc/01/95/39/604019539.db2.gz	DOWAAZBGLVOHJW-UHFFFAOYSA-N	-1	0	263.293	3.063	20	30		CGEDRM
C[C@@H](Oc1ccc(/C=C\C(=O)c2ccco2)cc1)C(=O)[O-]	ZINC000794702071	604396621	/nfs/dbraw/zinc/39/66/21/604396621.db2.gz	MNYPTZUZRCXNKX-DHHDDZJSSA-N	-1	0	286.283	3.028	20	30		CGEDRM
C/C=C(/C=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)CC	ZINC000828543377	604619127	/nfs/dbraw/zinc/61/91/27/604619127.db2.gz	SUTWYNDHTIKNQN-BSRGGCFVSA-N	-1	0	299.326	3.140	20	30		CGEDRM
C=CC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756906222	604630767	/nfs/dbraw/zinc/63/07/67/604630767.db2.gz	VQTKGSCAXRBZHZ-SNVBAGLBSA-N	-1	0	276.336	3.393	20	30		CGEDRM
CN(C(=O)[O-])c1ccc(NCc2cc(C#N)cs2)cc1	ZINC000830519767	604646264	/nfs/dbraw/zinc/64/62/64/604646264.db2.gz	VJXXLTJXNAPEGL-UHFFFAOYSA-N	-1	0	287.344	3.346	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CC(C)(C)C1	ZINC000763377455	604667676	/nfs/dbraw/zinc/66/76/76/604667676.db2.gz	OYZPFHUCRSLSSY-JTQLQIEISA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1coc2ccccc21	ZINC000763368540	604668494	/nfs/dbraw/zinc/66/84/94/604668494.db2.gz	OZWYHOILGPHALY-UHFFFAOYSA-N	-1	0	295.298	3.362	20	30		CGEDRM
N#Cc1c(Cl)nsc1Oc1ccc(C(=O)[O-])cc1	ZINC000833761304	604822672	/nfs/dbraw/zinc/82/26/72/604822672.db2.gz	UBOHXKBEQVLVJO-UHFFFAOYSA-N	-1	0	280.692	3.159	20	30		CGEDRM
C=CCC[C@H](C)OC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833373076	604991769	/nfs/dbraw/zinc/99/17/69/604991769.db2.gz	DYMLCGPGDZPSHI-JTQLQIEISA-N	-1	0	263.293	3.288	20	30		CGEDRM
C=C(CC)COc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000097208199	605004657	/nfs/dbraw/zinc/00/46/57/605004657.db2.gz	GDGIQVHFKLZEON-SOFGYWHQSA-N	-1	0	262.305	3.138	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000833362856	605009220	/nfs/dbraw/zinc/00/92/20/605009220.db2.gz	NKKSOMNSCGFPQX-UHFFFAOYSA-N	-1	0	278.283	3.048	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000398101861	605076626	/nfs/dbraw/zinc/07/66/26/605076626.db2.gz	TWAGLFXPTXFVBX-JTQLQIEISA-N	-1	0	294.326	3.390	20	30		CGEDRM
O=C([O-])N1CCc2cccc(/C=C/C(=O)c3ccco3)c21	ZINC000831292395	605172629	/nfs/dbraw/zinc/17/26/29/605172629.db2.gz	LREYXJIAAUQZMO-VOTSOKGWSA-N	-1	0	283.283	3.216	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000135311957	605399393	/nfs/dbraw/zinc/39/93/93/605399393.db2.gz	PUUIUJHTIOVQNG-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
Cc1cc(C(=O)Nc2cccc(C#N)c2)ccc1NC(=O)[O-]	ZINC000829966391	605573019	/nfs/dbraw/zinc/57/30/19/605573019.db2.gz	YYIBAXWLTZUXDX-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
C#CCCCCCC(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000833361867	605673138	/nfs/dbraw/zinc/67/31/38/605673138.db2.gz	PPMFDDVFQDXEQM-UHFFFAOYSA-N	-1	0	292.306	3.151	20	30		CGEDRM
CC1(C#N)CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1	ZINC000833551176	605848025	/nfs/dbraw/zinc/84/80/25/605848025.db2.gz	ICGXJYIXXAFHDH-UHFFFAOYSA-N	-1	0	292.766	3.164	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C2CCCC2)c(C)s1	ZINC000049501737	617611461	/nfs/dbraw/zinc/61/14/61/617611461.db2.gz	MVACQWSWSJDRLN-UHFFFAOYSA-N	-1	0	287.406	3.200	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(CC(=O)[O-])CC(C)C)c1	ZINC000900355960	620782334	/nfs/dbraw/zinc/78/23/34/620782334.db2.gz	XFOFHISYRFONNA-UHFFFAOYSA-N	-1	0	290.363	3.294	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000255311385	618191055	/nfs/dbraw/zinc/19/10/55/618191055.db2.gz	ZPEQGXMEIJIWTH-YWEYNIOJSA-N	-1	0	272.275	3.436	20	30		CGEDRM
O=C(/C=C\c1nccn1CC(F)(F)F)c1ccccc1[O-]	ZINC000255420826	618439702	/nfs/dbraw/zinc/43/97/02/618439702.db2.gz	QZWCFQXUSAPPGP-WAYWQWQTSA-N	-1	0	296.248	3.047	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1C#N	ZINC000255425744	618449699	/nfs/dbraw/zinc/44/96/99/618449699.db2.gz	HKCVIBWRXQUSCX-DJWKRKHSSA-N	-1	0	297.285	3.308	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cccc(F)c2)c1	ZINC000255501536	618618447	/nfs/dbraw/zinc/61/84/47/618618447.db2.gz	HYLJZYKUSXYZSU-SXGWCWSVSA-N	-1	0	274.251	3.059	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1	ZINC000255588777	618743644	/nfs/dbraw/zinc/74/36/44/618743644.db2.gz	ONBMXVGLMPTYFJ-ALCCZGGFSA-N	-1	0	299.282	3.205	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cnc(C)s2)n1	ZINC000255672952	618774945	/nfs/dbraw/zinc/77/49/45/618774945.db2.gz	NLSIPOZVGGKZTA-DLRQAJBASA-N	-1	0	289.385	3.106	20	30		CGEDRM
O=C(C=Cc1cccc2c1OCO2)c1sccc1[O-]	ZINC000184516726	619053121	/nfs/dbraw/zinc/05/31/21/619053121.db2.gz	JCQIDWORRHQHEH-SNAWJCMRSA-N	-1	0	274.297	3.079	20	30		CGEDRM
O=C(/C=C/c1nccn1-c1ccccc1)c1ccccc1[O-]	ZINC000191318674	619108763	/nfs/dbraw/zinc/10/87/63/619108763.db2.gz	SLMPFRPEFOMHKI-ZHACJKMWSA-N	-1	0	290.322	3.474	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000313949531	619203327	/nfs/dbraw/zinc/20/33/27/619203327.db2.gz	JTDAEINYMMDKBC-KBPBESRZSA-N	-1	0	298.427	3.099	20	30		CGEDRM
CCCCCCCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000147252526	619388838	/nfs/dbraw/zinc/38/88/38/619388838.db2.gz	ZSNSQJKSARTRCJ-CQSZACIVSA-N	-1	0	298.427	3.243	20	30		CGEDRM
CCCSCC(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000901118538	620834031	/nfs/dbraw/zinc/83/40/31/620834031.db2.gz	IDIVWOSHZLASBY-UHFFFAOYSA-N	-1	0	266.366	3.316	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)c(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000901318182	620859235	/nfs/dbraw/zinc/85/92/35/620859235.db2.gz	QYHAEOGGWYVXPA-RKDXNWHRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cncn2C(C)C)c([O-])c1	ZINC000901482789	620892843	/nfs/dbraw/zinc/89/28/43/620892843.db2.gz	WNWHHLZUKPKDRZ-QPJJXVBHSA-N	-1	0	286.331	3.074	20	30		CGEDRM
C=CC[C@H](C)[C@@H](C)Nc1ccc(OCC(=O)[O-])cc1	ZINC000901717134	621006654	/nfs/dbraw/zinc/00/66/54/621006654.db2.gz	NWWQNPLJQYOWNF-NWDGAFQWSA-N	-1	0	263.337	3.163	20	30		CGEDRM
CC[C@@H]1C[C@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000902287446	621228904	/nfs/dbraw/zinc/22/89/04/621228904.db2.gz	VBEJVONFTPZOBL-NEPJUHHUSA-N	-1	0	275.396	3.388	20	30		CGEDRM
CCO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000905475599	622076826	/nfs/dbraw/zinc/07/68/26/622076826.db2.gz	DJNODEXPSJIVPF-GFCCVEGCSA-N	-1	0	294.326	3.271	20	30		CGEDRM
CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000149019127	622113843	/nfs/dbraw/zinc/11/38/43/622113843.db2.gz	ONYIAECKFLEMQX-BJMVGYQFSA-N	-1	0	284.311	3.393	20	30		CGEDRM
N#Cc1sccc1-c1cccc2c1C[C@@H]1[C@@H](C(=O)[O-])[C@H]21	ZINC000906243156	622196365	/nfs/dbraw/zinc/19/63/65/622196365.db2.gz	QVTPTAZOZZWUBN-NWANDNLSSA-N	-1	0	281.336	3.257	20	30		CGEDRM
Cc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])c(C#N)c1	ZINC000906243726	622196638	/nfs/dbraw/zinc/19/66/38/622196638.db2.gz	ABXLNRCIXOQZDA-UHFFFAOYSA-N	-1	0	269.304	3.009	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000907547357	622300838	/nfs/dbraw/zinc/30/08/38/622300838.db2.gz	RMBGPGWPOJUYLM-SMDDNHRTSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=CC(C)(C)CC(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908333887	622341996	/nfs/dbraw/zinc/34/19/96/622341996.db2.gz	UJJILVMSORYMAP-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC000908508940	622356270	/nfs/dbraw/zinc/35/62/70/622356270.db2.gz	YGTAXRAJXRYWFW-UHFFFAOYSA-N	-1	0	289.331	3.100	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000909108212	622396321	/nfs/dbraw/zinc/39/63/21/622396321.db2.gz	ROIPWRBFURVHHQ-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1ccccc1CCC(=O)[O-]	ZINC000910190977	622466350	/nfs/dbraw/zinc/46/63/50/622466350.db2.gz	LZNWCPQKCDDQCS-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
C=CCC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCC1	ZINC000910480370	622487936	/nfs/dbraw/zinc/48/79/36/622487936.db2.gz	YUYQVBNPGNNZJS-CABCVRRESA-N	-1	0	299.370	3.162	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1sccc1SC)C(=O)[O-]	ZINC000910913682	622508708	/nfs/dbraw/zinc/50/87/08/622508708.db2.gz	AJEYMLROQNHUPT-SECBINFHSA-N	-1	0	299.417	3.009	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccc3c2OCO3)c([O-])c1	ZINC000156618803	622830752	/nfs/dbraw/zinc/83/07/52/622830752.db2.gz	NNUJPWGNHTWUMV-VMPITWQZSA-N	-1	0	298.294	3.026	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1	ZINC000045098540	622842967	/nfs/dbraw/zinc/84/29/67/622842967.db2.gz	RPHWFTUIWSZTKB-UHFFFAOYSA-N	-1	0	283.393	3.330	20	30		CGEDRM
O=C([O-])c1cccc(NN=C2CSCc3ccccc32)c1	ZINC000915935743	624080826	/nfs/dbraw/zinc/08/08/26/624080826.db2.gz	IBEXDBGJDIAJLN-UHFFFAOYSA-N	-1	0	298.367	3.448	20	30		CGEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000916240620	624124297	/nfs/dbraw/zinc/12/42/97/624124297.db2.gz	IKCIOTQHLCPLET-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
O=[N+]([O-])c1cc(C=NNc2ccc(Cl)cc2)ccc1[O-]	ZINC000916246925	624129360	/nfs/dbraw/zinc/12/93/60/624129360.db2.gz	PKNMOKPSNJDSEF-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
Cc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c(C)[nH]1	ZINC000917575285	624290551	/nfs/dbraw/zinc/29/05/51/624290551.db2.gz	VHSBADZUODEFRD-UHFFFAOYSA-N	-1	0	291.738	3.429	20	30		CGEDRM
O=C1c2cccc(F)c2C/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000921263880	624577939	/nfs/dbraw/zinc/57/79/39/624577939.db2.gz	KFSLDXHUBQHQNB-POHAHGRESA-N	-1	0	299.257	3.262	20	30		CGEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000170852056	624656072	/nfs/dbraw/zinc/65/60/72/624656072.db2.gz	VEVSGSYFACDKIX-GQCTYLIASA-N	-1	0	261.252	3.032	20	30		CGEDRM
O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])c(F)c1	ZINC000170851984	624656093	/nfs/dbraw/zinc/65/60/93/624656093.db2.gz	ODNUAYRAJSUPLD-XVNBXDOJSA-N	-1	0	258.248	3.133	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000170852038	624656150	/nfs/dbraw/zinc/65/61/50/624656150.db2.gz	ZPEQGXMEIJIWTH-XBXARRHUSA-N	-1	0	272.275	3.436	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000170851921	624656234	/nfs/dbraw/zinc/65/62/34/624656234.db2.gz	GDVYIHYVOZENNG-FNORWQNLSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CCCC(CCC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179739461	624681567	/nfs/dbraw/zinc/68/15/67/624681567.db2.gz	WTXIOKMSOMYNMB-UHFFFAOYSA-N	-1	0	260.337	3.419	20	30		CGEDRM
O=C(C=Cc1ccccc1F)[N-]S(=O)(=O)C1CCCC1	ZINC000086055169	625981105	/nfs/dbraw/zinc/98/11/05/625981105.db2.gz	HNRLZDOBRFEEKJ-MDZDMXLPSA-N	-1	0	297.351	3.068	20	30		CGEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2ccccc2C#N)c1	ZINC000121331473	626209358	/nfs/dbraw/zinc/20/93/58/626209358.db2.gz	BTFRRJWUJPVQPM-VQHVLOKHSA-N	-1	0	263.296	3.468	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000751134725	626377480	/nfs/dbraw/zinc/37/74/80/626377480.db2.gz	OWWNTSOGIVZXNY-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
C#Cc1ccccc1C(C)=NNc1ccccc1C(=O)[O-]	ZINC000753696671	626462387	/nfs/dbraw/zinc/46/23/87/626462387.db2.gz	ZGLHEOISBIUMAB-UHFFFAOYSA-N	-1	0	278.311	3.202	20	30		CGEDRM
Cn1cc(C=NNc2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000755455196	626624201	/nfs/dbraw/zinc/62/42/01/626624201.db2.gz	MFCQQRURDFBXFM-UHFFFAOYSA-N	-1	0	293.326	3.323	20	30		CGEDRM
COc1ccc(C)cc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000757472735	626781530	/nfs/dbraw/zinc/78/15/30/626781530.db2.gz	SDVISQIYMLMNCM-DAXSKMNVSA-N	-1	0	284.311	3.311	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000757473655	626781658	/nfs/dbraw/zinc/78/16/58/626781658.db2.gz	NMPZZCSJKDWACZ-AATRIKPKSA-N	-1	0	285.249	3.438	20	30		CGEDRM
O=C(/C=C\c1cccc2c1OCO2)c1ccc(F)cc1[O-]	ZINC000757474554	626782101	/nfs/dbraw/zinc/78/21/01/626782101.db2.gz	CHWPAWUIWQCMLD-DAXSKMNVSA-N	-1	0	286.258	3.156	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000757476292	626782423	/nfs/dbraw/zinc/78/24/23/626782423.db2.gz	PINWFUITTCXKKA-OWOJBTEDSA-N	-1	0	291.278	3.500	20	30		CGEDRM
CC(=NNc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758099179	626826856	/nfs/dbraw/zinc/82/68/56/626826856.db2.gz	ZHRWGCSBBABDEF-UHFFFAOYSA-N	-1	0	289.266	3.276	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CC23CCCC3)c1	ZINC000760989673	627007572	/nfs/dbraw/zinc/00/75/72/627007572.db2.gz	DVRMMQNURKKVBZ-GRRFOWRYSA-N	-1	0	260.293	3.052	20	30		CGEDRM
CCOc1cccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763369554	627154183	/nfs/dbraw/zinc/15/41/83/627154183.db2.gz	IDQSDQGQNFWHIN-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000764433400	627207566	/nfs/dbraw/zinc/20/75/66/627207566.db2.gz	SAICJIBOXHQEPO-PLNGDYQASA-N	-1	0	278.304	3.498	20	30		CGEDRM
CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)[O-])c1	ZINC000764641818	627215852	/nfs/dbraw/zinc/21/58/52/627215852.db2.gz	SNQOULUUZIKKGF-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C[C@@H](CCC#N)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000765992237	627284432	/nfs/dbraw/zinc/28/44/32/627284432.db2.gz	IYRAGCWOFYTGBN-VIFPVBQESA-N	-1	0	279.727	3.376	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1C	ZINC000767384781	627404641	/nfs/dbraw/zinc/40/46/41/627404641.db2.gz	BPHQDOPELYSZQV-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NNCC(F)(F)F)cc1Cl	ZINC000769821607	627581060	/nfs/dbraw/zinc/58/10/60/627581060.db2.gz	IXAPPQGOGDCCRI-UHFFFAOYSA-N	-1	0	287.068	3.185	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])c(F)c1	ZINC000772801131	627823959	/nfs/dbraw/zinc/82/39/59/627823959.db2.gz	JEGSGCAGOJDRFF-ZZXKWVIFSA-N	-1	0	285.249	3.438	20	30		CGEDRM
COc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1C	ZINC000772990216	627838094	/nfs/dbraw/zinc/83/80/94/627838094.db2.gz	LTQIUSKYQMLHFV-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
CN1CCc2cc(C=CC(=O)c3sccc3[O-])ccc21	ZINC000773143372	627861900	/nfs/dbraw/zinc/86/19/00/627861900.db2.gz	RMHJSOITBRZQHM-HWKANZROSA-N	-1	0	285.368	3.342	20	30		CGEDRM
Cc1nn(C)c(Cl)c1C=CC(=O)c1sccc1[O-]	ZINC000773143386	627861948	/nfs/dbraw/zinc/86/19/48/627861948.db2.gz	RYLRRPRWXNEKGC-ARJAWSKDSA-N	-1	0	282.752	3.045	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774136674	627949830	/nfs/dbraw/zinc/94/98/30/627949830.db2.gz	RGLNGXSDZCQCPY-VURMDHGXSA-N	-1	0	282.295	3.295	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCc1cnccn1	ZINC000774541858	628003887	/nfs/dbraw/zinc/00/38/87/628003887.db2.gz	LILZPQBTRZEMPW-FRKPEAEDSA-N	-1	0	296.157	3.151	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cccc(F)c2)ccc1O	ZINC000779358302	628409667	/nfs/dbraw/zinc/40/96/67/628409667.db2.gz	OXHZDYDRKBTTJM-GQCTYLIASA-N	-1	0	286.258	3.126	20	30		CGEDRM
COc1ccsc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782206707	628624764	/nfs/dbraw/zinc/62/47/64/628624764.db2.gz	JOTGVXTZFBGVBJ-NSCUHMNNSA-N	-1	0	294.353	3.413	20	30		CGEDRM
O=C([O-])c1ccc(C=Nn2cnc3ccccc32)c(Cl)c1	ZINC000783816355	628748765	/nfs/dbraw/zinc/74/87/65/628748765.db2.gz	NMGMCZWBELDLGU-UHFFFAOYSA-N	-1	0	299.717	3.270	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cc3ccccc3[nH]2)cc1	ZINC000788408755	629050231	/nfs/dbraw/zinc/05/02/31/629050231.db2.gz	OZNOANFYPJYZCP-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
COC1(CN=Nc2ccccc2C(=O)[O-])CCCCC1	ZINC000790150527	629186462	/nfs/dbraw/zinc/18/64/62/629186462.db2.gz	ZNEYWAOACGZWCN-UHFFFAOYSA-N	-1	0	276.336	3.132	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793058559	629406369	/nfs/dbraw/zinc/40/63/69/629406369.db2.gz	VPNJAVRKXXXFSW-STQMWFEESA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@H](NN=C(C)c1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000793070822	629407233	/nfs/dbraw/zinc/40/72/33/629407233.db2.gz	FHVJHPZOWXKANR-NSHDSACASA-N	-1	0	289.162	3.170	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cc(F)cc(F)c1[O-]	ZINC000793146034	629416514	/nfs/dbraw/zinc/41/65/14/629416514.db2.gz	OGJMZTUHRBIIHS-MRVPVSSYSA-N	-1	0	257.280	3.457	20	30		CGEDRM
CCC[C@H](C)CCCC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC000863067726	629466652	/nfs/dbraw/zinc/46/66/52/629466652.db2.gz	JAWCTGJBOCTGGI-JTQLQIEISA-N	-1	0	279.388	3.280	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@H]1CCF	ZINC000794923240	629599726	/nfs/dbraw/zinc/59/97/26/629599726.db2.gz	NHWFRSJTWBSVIB-JTQLQIEISA-N	-1	0	294.326	3.321	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cncc(F)c1	ZINC000794942428	629604213	/nfs/dbraw/zinc/60/42/13/629604213.db2.gz	MYRGPYCKYRLTND-ONEGZZNKSA-N	-1	0	299.301	3.432	20	30		CGEDRM
CCC(N=Nc1cccc(F)n1)c1ccc(C(=O)[O-])cc1	ZINC000795009263	629622075	/nfs/dbraw/zinc/62/20/75/629622075.db2.gz	YSUJATBWDWTGDG-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
CCCCCCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864159254	629787490	/nfs/dbraw/zinc/78/74/90/629787490.db2.gz	RMHRWQOVVOOFCG-NTMALXAHSA-N	-1	0	279.336	3.078	20	30		CGEDRM
N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](C(=O)[O-])[C@H]2C3)s1	ZINC000864608251	629874201	/nfs/dbraw/zinc/87/42/01/629874201.db2.gz	GGVJFCLBRYSMMR-NWANDNLSSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C[C@@H]1[C@H](C(=O)Nc2cc(C#N)ccc2[O-])[C@H]1c1ccccc1	ZINC000797748681	629979883	/nfs/dbraw/zinc/97/98/83/629979883.db2.gz	NZTBVUMRMRJSFX-JECHBYEQSA-N	-1	0	292.338	3.252	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000799499289	630192175	/nfs/dbraw/zinc/19/21/75/630192175.db2.gz	URAYZAULENVQCC-CMDGGOBGSA-N	-1	0	277.279	3.153	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1ccc(C2CC2)nn1	ZINC000799646385	630207500	/nfs/dbraw/zinc/20/75/00/630207500.db2.gz	DZVPHQRYWBVMQW-UHFFFAOYSA-N	-1	0	297.424	3.066	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)oc1C	ZINC000799896224	630240666	/nfs/dbraw/zinc/24/06/66/630240666.db2.gz	HMUARPJTKXOBOO-XQRVVYSFSA-N	-1	0	287.271	3.406	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)nn1	ZINC000806572474	630567629	/nfs/dbraw/zinc/56/76/29/630567629.db2.gz	GUGGIUDHHSNARK-GQCTYLIASA-N	-1	0	291.738	3.114	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc3[nH]ccc3c2)c1	ZINC000811629519	631094452	/nfs/dbraw/zinc/09/44/52/631094452.db2.gz	UTNZWPDBEPKZBW-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
CC(=NOC/C=C\Cl)c1cc(C(=O)[O-])ccc1C	ZINC000811669417	631107412	/nfs/dbraw/zinc/10/74/12/631107412.db2.gz	DRERNVBIYBIHIP-PAIKAKGKSA-N	-1	0	267.712	3.186	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NOC/C=C/Cl	ZINC000811671702	631108877	/nfs/dbraw/zinc/10/88/77/631108877.db2.gz	JYGGLSVJEMEVAI-XOWKLHRESA-N	-1	0	264.083	3.288	20	30		CGEDRM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1cccc(F)c1C#N)O2	ZINC000811688599	631109802	/nfs/dbraw/zinc/10/98/02/631109802.db2.gz	PWJYEBBMNIOBMM-UUASQNMZSA-N	-1	0	295.269	3.328	20	30		CGEDRM
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1C	ZINC000812369985	631241533	/nfs/dbraw/zinc/24/15/33/631241533.db2.gz	UGOAEXCZFYJUTR-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(F)ccc1F	ZINC000812444790	631261519	/nfs/dbraw/zinc/26/15/19/631261519.db2.gz	FSKNDHRFDPGKNE-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](CC)Oc1ccccc1C(C)C	ZINC000837046893	634848085	/nfs/dbraw/zinc/84/80/85/634848085.db2.gz	RWGLJNRHIHEMFD-CQSZACIVSA-N	-1	0	277.364	3.201	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCCCC23CCCC3)n1	ZINC000814681715	631621819	/nfs/dbraw/zinc/62/18/19/631621819.db2.gz	YZHZMKBIFQXWHU-UHFFFAOYSA-N	-1	0	274.368	3.393	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1cccc(Cl)c1	ZINC000814867598	631659727	/nfs/dbraw/zinc/65/97/27/631659727.db2.gz	LDRPWDPUASPYBO-JQWIXIFHSA-N	-1	0	294.782	3.306	20	30		CGEDRM
O=C([O-])c1cccc(C=NOC2CCCC2)c1Cl	ZINC000814893834	631668405	/nfs/dbraw/zinc/66/84/05/631668405.db2.gz	DLOOHYHXQYYEEZ-UHFFFAOYSA-N	-1	0	267.712	3.331	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCCC(C)(C)C	ZINC000814901395	631671798	/nfs/dbraw/zinc/67/17/98/631671798.db2.gz	LXIYIRFQMAGGFT-UHFFFAOYSA-N	-1	0	276.380	3.361	20	30		CGEDRM
CC(=NN[C@@H]1CCOC(C)(C)C1)[C@H](C)CCCCC(=O)[O-]	ZINC000814908081	631675657	/nfs/dbraw/zinc/67/56/57/631675657.db2.gz	HCYHYXKHGMTUNC-TZMCWYRMSA-N	-1	0	298.427	3.191	20	30		CGEDRM
Cc1cccnc1N=NC(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814911316	631678245	/nfs/dbraw/zinc/67/82/45/631678245.db2.gz	AZNSSIWAOZGKBA-LLVKDONJSA-N	-1	0	277.368	3.459	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000814923570	631684106	/nfs/dbraw/zinc/68/41/06/631684106.db2.gz	KEEFHKAKLJZTLV-RYUDHWBXSA-N	-1	0	291.347	3.089	20	30		CGEDRM
Cc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814931505	631687648	/nfs/dbraw/zinc/68/76/48/631687648.db2.gz	VMLRLRKUGWTWPY-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
CC(=NOC1CCC1)c1cccc(OCCCC(=O)[O-])c1	ZINC000814936266	631690374	/nfs/dbraw/zinc/69/03/74/631690374.db2.gz	HNZSSPJPVDXWEU-UHFFFAOYSA-N	-1	0	291.347	3.223	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccc(F)c(F)c2F)cc1	ZINC000814945421	631696010	/nfs/dbraw/zinc/69/60/10/631696010.db2.gz	BWUYKEKCHNBIAH-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
O=C([O-])CNN=Cc1ccc(-c2ccccc2Cl)s1	ZINC000814959165	631698019	/nfs/dbraw/zinc/69/80/19/631698019.db2.gz	RAFUHEQWHZOUCC-UHFFFAOYSA-N	-1	0	294.763	3.077	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(CC3CCCCC3)[n-]2)c1	ZINC000871945023	633923060	/nfs/dbraw/zinc/92/30/60/633923060.db2.gz	UPCFXGNJYQDEQF-UHFFFAOYSA-N	-1	0	281.359	3.075	20	30		CGEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@@H]1CCCOC1	ZINC000872386910	634128348	/nfs/dbraw/zinc/12/83/48/634128348.db2.gz	HZGJGBJJUZPFPG-GFCCVEGCSA-N	-1	0	290.363	3.298	20	30		CGEDRM
[O-]c1c(F)cc(C=NNC[C@H]2CCCC2(F)F)cc1F	ZINC000872407010	634135622	/nfs/dbraw/zinc/13/56/22/634135622.db2.gz	WCDHCIDKCUPYGI-SECBINFHSA-N	-1	0	290.260	3.029	20	30		CGEDRM
N#C[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835008090	634312890	/nfs/dbraw/zinc/31/28/90/634312890.db2.gz	ADYOTNBAWWPFOQ-VIFPVBQESA-N	-1	0	275.283	3.006	20	30		CGEDRM
CC[C@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009395	634313256	/nfs/dbraw/zinc/31/32/56/634313256.db2.gz	VCNVMBQFPCNWHP-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(CC1CCOCC1)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012004	634316271	/nfs/dbraw/zinc/31/62/71/634316271.db2.gz	LWQLHBARXHVGGX-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC(C)(C)c1ncc(C=CC(=O)c2sccc2[O-])cn1	ZINC000840719946	635042344	/nfs/dbraw/zinc/04/23/44/635042344.db2.gz	KGLHFUZMCMSKQV-SNAWJCMRSA-N	-1	0	288.372	3.437	20	30		CGEDRM
O=C([O-])CNN=C1CCC[C@H](c2cccc(Cl)c2)C1	ZINC000841641690	635206270	/nfs/dbraw/zinc/20/62/70/635206270.db2.gz	ZPOAMNQDHWLQJQ-NSHDSACASA-N	-1	0	280.755	3.028	20	30		CGEDRM
Cc1ccc2c(c1)[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])CO2	ZINC000121543860	635696615	/nfs/dbraw/zinc/69/66/15/635696615.db2.gz	CELWAMMYLLQSEI-WZCGUGGKSA-N	-1	0	298.298	3.161	20	30		CGEDRM
COCC[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844622518	635944930	/nfs/dbraw/zinc/94/49/30/635944930.db2.gz	FFTYBHDKXVJJOM-LBPRGKRZSA-N	-1	0	290.363	3.298	20	30		CGEDRM
CO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)C12CCC2	ZINC000844624743	635946350	/nfs/dbraw/zinc/94/63/50/635946350.db2.gz	ZQKJFFUBXLAPTN-CQSZACIVSA-N	-1	0	288.347	3.050	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)Oc1ccccc1Cl	ZINC000846537917	636195224	/nfs/dbraw/zinc/19/52/24/636195224.db2.gz	QFJBUOBLPXLUNC-LBPRGKRZSA-N	-1	0	283.755	3.121	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1Cl	ZINC000846545475	636198133	/nfs/dbraw/zinc/19/81/33/636198133.db2.gz	OMZQTDLFCMWNOZ-SNVBAGLBSA-N	-1	0	267.756	3.240	20	30		CGEDRM
CCCCCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000107390588	636530141	/nfs/dbraw/zinc/53/01/41/636530141.db2.gz	SMEKLJIZCHJDIT-QGZVFWFLSA-N	-1	0	291.391	3.463	20	30		CGEDRM
CC[C@@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414613	636570714	/nfs/dbraw/zinc/57/07/14/636570714.db2.gz	AIQVPAOXJMDFAS-GFCCVEGCSA-N	-1	0	260.337	3.292	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2)CC1	ZINC000884371403	637015807	/nfs/dbraw/zinc/01/58/07/637015807.db2.gz	MSQNMZMRQCZGMU-CQSZACIVSA-N	-1	0	276.336	3.132	20	30		CGEDRM
O=C(/C=C/c1cc(Cl)c([O-])cc1Cl)c1cnccn1	ZINC000134407512	637021574	/nfs/dbraw/zinc/02/15/74/637021574.db2.gz	LLEBHPFFBCNVJK-OWOJBTEDSA-N	-1	0	295.125	3.385	20	30		CGEDRM
C=C(Cl)CN1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000851707734	637469291	/nfs/dbraw/zinc/46/92/91/637469291.db2.gz	JUUIOQXTFZVVST-QWHCGFSZSA-N	-1	0	265.740	3.029	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000853252692	637794623	/nfs/dbraw/zinc/79/46/23/637794623.db2.gz	RKMIXSCVISBOMQ-RTXFEEFZSA-N	-1	0	258.321	3.219	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2CCCSCC2)c1	ZINC000853258215	637795870	/nfs/dbraw/zinc/79/58/70/637795870.db2.gz	LAUDLJKWARQSNQ-UHFFFAOYSA-N	-1	0	264.350	3.070	20	30		CGEDRM
C[C@H]1C(N=Nc2ccnc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000853395011	637834050	/nfs/dbraw/zinc/83/40/50/637834050.db2.gz	HUJFQOIMOCIHJQ-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc(Cl)cn1	ZINC000853435903	637840899	/nfs/dbraw/zinc/84/08/99/637840899.db2.gz	UQBPIYLMJZRSHH-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](CCC)c1ccc(Cl)cc1	ZINC000854853085	638112377	/nfs/dbraw/zinc/11/23/77/638112377.db2.gz	WNSYXMYZKZUGKT-CYBMUJFWSA-N	-1	0	267.756	3.458	20	30		CGEDRM
C#CCO[N-]C(=O)C1(c2ccc(Cl)cc2)CCCCC1	ZINC000855602635	638222010	/nfs/dbraw/zinc/22/20/10/638222010.db2.gz	DODQXLPGRNPXFW-UHFFFAOYSA-N	-1	0	291.778	3.223	20	30		CGEDRM
C=CCCO[N-]C(=O)COc1ccccc1[C@H](C)CC	ZINC000856029226	638286447	/nfs/dbraw/zinc/28/64/47/638286447.db2.gz	DZKUETYHCOPEKR-CYBMUJFWSA-N	-1	0	277.364	3.203	20	30		CGEDRM
O=C(/C=C/c1ccsc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000034275968	638667302	/nfs/dbraw/zinc/66/73/02/638667302.db2.gz	BQYMTRRFAHEWSL-HNQUOIGGSA-N	-1	0	275.285	3.258	20	30		CGEDRM
C[C@H](CC#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931941272	639240142	/nfs/dbraw/zinc/24/01/42/639240142.db2.gz	JDIMOIGCDFREHO-SSDOTTSWSA-N	-1	0	287.146	3.073	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000860106045	639282298	/nfs/dbraw/zinc/28/22/98/639282298.db2.gz	WGBQOFMKSCGQGB-UHFFFAOYSA-N	-1	0	289.360	3.385	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000042247510	639913863	/nfs/dbraw/zinc/91/38/63/639913863.db2.gz	MNWIZFNFOKEJEN-UHFFFAOYSA-N	-1	0	299.392	3.311	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000048408609	640052233	/nfs/dbraw/zinc/05/22/33/640052233.db2.gz	LPSAICUCWQBOHE-UHFFFAOYSA-N	-1	0	296.175	3.439	20	30		CGEDRM
CCCCCC[C@](C)(CC)C(=O)[N-]S(C)(=O)=O	ZINC000076758335	640212351	/nfs/dbraw/zinc/21/23/51/640212351.db2.gz	NHOSBVOWHZXVGU-LBPRGKRZSA-N	-1	0	263.403	3.289	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1	ZINC000254705674	640913846	/nfs/dbraw/zinc/91/38/46/640913846.db2.gz	MFMXCBBWXQPIEC-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119272667	641039878	/nfs/dbraw/zinc/03/98/78/641039878.db2.gz	NEWKPPFAQLLTCV-AATRIKPKSA-N	-1	0	290.750	3.238	20	30		CGEDRM
COc1ccc(-c2cc(C#N)ccc2F)cc1C(=O)[O-]	ZINC001250632792	805739690	/nfs/dbraw/zinc/73/96/90/805739690.db2.gz	MJBMZYLIXLFGFQ-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#Cc1cccc(-c2nnc(Cc3ccc(F)cc3)o2)c1[O-]	ZINC001251936896	805954022	/nfs/dbraw/zinc/95/40/22/805954022.db2.gz	IYEPCRNLUOUQTH-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
N#Cc1cc(-c2nnc(Cc3ccc(F)cc3)o2)ccc1[O-]	ZINC001251937181	805954263	/nfs/dbraw/zinc/95/42/63/805954263.db2.gz	MSNWBAXCDYOKHO-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
C#CCCCCCCc1cn(-c2cccc(C(=O)[O-])c2)nn1	ZINC001254098330	806342272	/nfs/dbraw/zinc/34/22/72/806342272.db2.gz	GMNKTWJYONKKAI-UHFFFAOYSA-N	-1	0	297.358	3.092	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000316260325	799240796	/nfs/dbraw/zinc/24/07/96/799240796.db2.gz	DQZBDBKLSPDSQZ-NSHDSACASA-N	-1	0	298.289	3.165	20	30		CGEDRM
CCCCCCCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000398929232	799533363	/nfs/dbraw/zinc/53/33/63/799533363.db2.gz	OAJWVTZWUATJBJ-KGLIPLIRSA-N	-1	0	298.427	3.099	20	30		CGEDRM
CC(C)Cc1c[nH]c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001117938153	802511902	/nfs/dbraw/zinc/51/19/02/802511902.db2.gz	LLVUAXMBXKNDJV-UHFFFAOYSA-N	-1	0	283.331	3.043	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC001119356399	802655014	/nfs/dbraw/zinc/65/50/14/802655014.db2.gz	IFRJFZXCEUOVIY-ZDUSSCGKSA-N	-1	0	290.363	3.440	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F	ZINC001123289103	802925119	/nfs/dbraw/zinc/92/51/19/802925119.db2.gz	GMFSKILZUXHQCO-LBPRGKRZSA-N	-1	0	291.322	3.095	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3cc(F)c([O-])c(F)c3)cc12	ZINC001244097496	803185380	/nfs/dbraw/zinc/18/53/80/803185380.db2.gz	PZHXVQAZAFNTQX-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(/C=N/O)ccc2F)c1	ZINC001244177947	803228049	/nfs/dbraw/zinc/22/80/49/803228049.db2.gz	QKETUOUQLIDAJI-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
O=C([O-])CCc1ccc(-c2ccc(/C=N/O)c(F)c2)cc1	ZINC001244192109	803236330	/nfs/dbraw/zinc/23/63/30/803236330.db2.gz	WIPUCZGXKXMQFY-VCHYOVAHSA-N	-1	0	287.290	3.318	20	30		CGEDRM
Cc1cc(-c2ncc(F)cc2C#N)cc(Cl)c1[O-]	ZINC001244530806	803422006	/nfs/dbraw/zinc/42/20/06/803422006.db2.gz	UDSYXSZZIVMESB-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(C#N)cc(-c2c(F)c([O-])ccc2Cl)n1	ZINC001244541194	803429563	/nfs/dbraw/zinc/42/95/63/803429563.db2.gz	ZRRPJHQPJOQDSG-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCOc1ccc(-c2ccc(Cl)c([O-])c2F)nc1	ZINC001244630554	803473575	/nfs/dbraw/zinc/47/35/75/803473575.db2.gz	SGMWCLFDAMOTBJ-UHFFFAOYSA-N	-1	0	278.670	3.149	20	30		CGEDRM
Cc1cc(-c2ccc(C#N)c(F)n2)cc(C)c1C(=O)[O-]	ZINC001244944948	803585945	/nfs/dbraw/zinc/58/59/45/803585945.db2.gz	PZPJPUSFLLYFPV-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1cc(-c2ccnc3[nH]cc(C#N)c32)cc(C)c1C(=O)[O-]	ZINC001244947106	803587122	/nfs/dbraw/zinc/58/71/22/803587122.db2.gz	UNIBFHCMRFJSII-UHFFFAOYSA-N	-1	0	291.310	3.368	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cccc(C(=O)[O-])c1C	ZINC001245296735	803693395	/nfs/dbraw/zinc/69/33/95/803693395.db2.gz	DKUVJUMLBGQYGL-UHFFFAOYSA-N	-1	0	293.326	3.291	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(CC#N)cc1	ZINC001245300145	803695025	/nfs/dbraw/zinc/69/50/25/803695025.db2.gz	HXXCFQGQENDQJS-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1cccc(-c2cc(CC(=O)[O-])ccc2F)c1C#N	ZINC001245318330	803699721	/nfs/dbraw/zinc/69/97/21/803699721.db2.gz	HAEMFXKAOJTSBK-UHFFFAOYSA-N	-1	0	269.275	3.300	20	30		CGEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2Cl)n1	ZINC001245371597	803717204	/nfs/dbraw/zinc/71/72/04/803717204.db2.gz	FWMOHDGVQSQVGM-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CCc1ncccc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245373564	803718662	/nfs/dbraw/zinc/71/86/62/803718662.db2.gz	BRSKDOXPYNHGSQ-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)co1	ZINC001137949583	803805530	/nfs/dbraw/zinc/80/55/30/803805530.db2.gz	WQHNRNBMSMWSLY-UHFFFAOYSA-N	-1	0	297.097	3.416	20	30		CGEDRM
N#Cc1ccc(-c2cc([O-])c(F)c(F)c2F)c(C#N)c1	ZINC001245638838	803877484	/nfs/dbraw/zinc/87/74/84/803877484.db2.gz	MBVLPCADFQUKNI-UHFFFAOYSA-N	-1	0	274.201	3.220	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1c(F)ccc([O-])c1Cl	ZINC001245831600	803987090	/nfs/dbraw/zinc/98/70/90/803987090.db2.gz	OUNGQYVXIVWNLS-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2ccc(F)cc2)cc1=O	ZINC001245917957	804044882	/nfs/dbraw/zinc/04/48/82/804044882.db2.gz	OKRXSRBXHKJONV-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
COc1cccc(-c2cc(=O)n(-c3ccc(C#N)cc3)[n-]2)c1	ZINC001245917932	804045482	/nfs/dbraw/zinc/04/54/82/804045482.db2.gz	NBVXAFMPJDBJBM-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
C=CCn1[n-]c(-c2cc(F)c(Cl)nc2Cl)cc1=O	ZINC001245920713	804048939	/nfs/dbraw/zinc/04/89/39/804048939.db2.gz	UXQYBAFBAVNOLF-UHFFFAOYSA-N	-1	0	288.109	3.283	20	30		CGEDRM
C[C@@H]1CCC[C@@H]1n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245932639	804062052	/nfs/dbraw/zinc/06/20/52/804062052.db2.gz	JUSQXMRPBNZVDM-ABAIWWIYSA-N	-1	0	267.332	3.488	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(CCC)cc2)[nH]1	ZINC001245952160	804085977	/nfs/dbraw/zinc/08/59/77/804085977.db2.gz	RPMHWAYROGSHIZ-UHFFFAOYSA-N	-1	0	254.333	3.096	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(Cl)ccc1N	ZINC001212430941	815027285	/nfs/dbraw/zinc/02/72/85/815027285.db2.gz	JNSASKRATVRSIN-UHFFFAOYSA-N	-1	0	265.725	3.305	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212514076	815045005	/nfs/dbraw/zinc/04/50/05/815045005.db2.gz	ATJLPYHAVVPOJE-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2ccc(C)cc2[O-])s1	ZINC001148492982	805189870	/nfs/dbraw/zinc/18/98/70/805189870.db2.gz	XPVVZQFHCCXHIR-UHFFFAOYSA-N	-1	0	272.329	3.195	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cc3[nH]ccc3s2)c(O)c1	ZINC001149861544	805246683	/nfs/dbraw/zinc/24/66/83/805246683.db2.gz	OIFRERUUMLQGLS-UHFFFAOYSA-N	-1	0	283.312	3.059	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1cc([O-])c(F)c(F)c1F	ZINC001249960979	805328208	/nfs/dbraw/zinc/32/82/08/805328208.db2.gz	YWUWOJPEUSFEQJ-UHFFFAOYSA-N	-1	0	296.252	3.202	20	30		CGEDRM
N#Cc1ncc(Nc2cc([O-])c(F)c(F)c2F)cc1Cl	ZINC001249961505	805328425	/nfs/dbraw/zinc/32/84/25/805328425.db2.gz	RTQDIVPZLFMITR-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
N#Cc1ccc(Cc2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001250054285	805391809	/nfs/dbraw/zinc/39/18/09/805391809.db2.gz	GATHRBJDSONMRB-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Cc1ccc(C#N)cc1	ZINC001250054418	805393347	/nfs/dbraw/zinc/39/33/47/805393347.db2.gz	KEYAIPYNOFIWAU-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
Cc1nc(Cl)ccc1Nc1scc([O-])c1C#N	ZINC001250151506	805445783	/nfs/dbraw/zinc/44/57/83/805445783.db2.gz	COFWFERPMZAYFJ-UHFFFAOYSA-N	-1	0	265.725	3.426	20	30		CGEDRM
CC[C@H](C)S(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2	ZINC001260723610	807699924	/nfs/dbraw/zinc/69/99/24/807699924.db2.gz	OWZAYPQAFOLURP-VIFPVBQESA-N	-1	0	298.433	3.039	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)Nc1cccc(F)c1[O-]	ZINC001171632610	808109744	/nfs/dbraw/zinc/10/97/44/808109744.db2.gz	IIHOIBVBADFJIW-CMDGGOBGSA-N	-1	0	282.274	3.055	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(CO)c(Cl)c1	ZINC001212889975	815178293	/nfs/dbraw/zinc/17/82/93/815178293.db2.gz	CAJVONQXTSTNLI-UHFFFAOYSA-N	-1	0	280.736	3.215	20	30		CGEDRM
COc1cccc(OC)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173923145	808763505	/nfs/dbraw/zinc/76/35/05/808763505.db2.gz	WGEHGMZMYUUZQG-UHFFFAOYSA-N	-1	0	288.278	3.164	20	30		CGEDRM
CCOC(=O)c1ccccc1Nc1scc([O-])c1C#N	ZINC001213172504	815251238	/nfs/dbraw/zinc/25/12/38/815251238.db2.gz	OFGVNNOVOCZWIU-UHFFFAOYSA-N	-1	0	288.328	3.246	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1OC	ZINC001174676326	809127140	/nfs/dbraw/zinc/12/71/40/809127140.db2.gz	IDATYAVALAVNRW-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1cc(Nc2ccc(CC#N)cc2)ccc1C(=O)[O-]	ZINC001174684601	809129676	/nfs/dbraw/zinc/12/96/76/809129676.db2.gz	AMENASPYNIHGQM-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])c(OC)c2)ccc1C#N	ZINC001174687320	809130971	/nfs/dbraw/zinc/13/09/71/809130971.db2.gz	SPDPCRLVJYFRQC-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1N	ZINC001174937555	809207977	/nfs/dbraw/zinc/20/79/77/809207977.db2.gz	REEIKQPJBLIMBD-UHFFFAOYSA-N	-1	0	257.268	3.037	20	30		CGEDRM
N#Cc1cc(Nc2ccc3occc(=O)c3c2)c([O-])cc1F	ZINC001174944146	809209277	/nfs/dbraw/zinc/20/92/77/809209277.db2.gz	HHWHLHSMLFMNCY-UHFFFAOYSA-N	-1	0	296.257	3.253	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccc(CC(=O)[O-])cc2)cc1F	ZINC001174955633	809215051	/nfs/dbraw/zinc/21/50/51/809215051.db2.gz	CBXVBAUNOQPWMZ-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175157519	809291833	/nfs/dbraw/zinc/29/18/33/809291833.db2.gz	GFWPATDKNKVIFI-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
CCOc1ccc(OC)cc1Nc1scc([O-])c1C#N	ZINC001175211650	809309745	/nfs/dbraw/zinc/30/97/45/809309745.db2.gz	BSWYHDRJPVCQFW-UHFFFAOYSA-N	-1	0	290.344	3.476	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001175220349	809312821	/nfs/dbraw/zinc/31/28/21/809312821.db2.gz	LWVMFTKQUUTGFH-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
Cc1coc(Nc2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001175219960	809313072	/nfs/dbraw/zinc/31/30/72/809313072.db2.gz	HBSWNYRYGACEJY-UHFFFAOYSA-N	-1	0	260.224	3.041	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175321234	809353666	/nfs/dbraw/zinc/35/36/66/809353666.db2.gz	IQXLDJPHFZYLJZ-UHFFFAOYSA-N	-1	0	287.706	3.236	20	30		CGEDRM
Cn1ccc2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc21	ZINC001295827625	809494576	/nfs/dbraw/zinc/49/45/76/809494576.db2.gz	GUCATOISJIRDLD-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
CC(C)(C)c1nnc([N-]c2cc(F)cc(C#N)c2)o1	ZINC001175679059	809502266	/nfs/dbraw/zinc/50/22/66/809502266.db2.gz	JPHZIGIRBHAZAN-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
COc1cc(Nc2sccc2C#N)cc(C(=O)[O-])c1	ZINC001213585001	815306723	/nfs/dbraw/zinc/30/67/23/815306723.db2.gz	NPZYSJYJZGWDSF-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cc(OC)cc(C(=O)[O-])c2)c1	ZINC001213596731	815308393	/nfs/dbraw/zinc/30/83/93/815308393.db2.gz	IDCCMZMJICCXAN-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1ccc(C#N)c(Nc2csc(C(=O)[O-])c2)c1	ZINC001176438926	809697719	/nfs/dbraw/zinc/69/77/19/809697719.db2.gz	GKPBMJRJIFHFQP-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1csc(C(=O)[O-])c1	ZINC001176440173	809698263	/nfs/dbraw/zinc/69/82/63/809698263.db2.gz	FXFJVAWVYJSWMW-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176589693	809725331	/nfs/dbraw/zinc/72/53/31/809725331.db2.gz	JKVWRVITZAIGJY-UHFFFAOYSA-N	-1	0	294.310	3.124	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(F)c2[O-])ccc1F	ZINC001176618397	809731959	/nfs/dbraw/zinc/73/19/59/809731959.db2.gz	PWPXYWPTSSXAJR-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1F	ZINC001213629923	815314148	/nfs/dbraw/zinc/31/41/48/815314148.db2.gz	XRVCGQBBASYDBW-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
CCCCN(O)C(=O)c1ccc(C(C)C)cc1O	ZINC001184314570	810190842	/nfs/dbraw/zinc/19/08/42/810190842.db2.gz	APHBHVVBQLDAGT-UHFFFAOYSA-N	-1	0	251.326	3.147	20	30		CGEDRM
CC[C@@H](C)CCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001185573019	810277723	/nfs/dbraw/zinc/27/77/23/810277723.db2.gz	XDWUQJLIEJZLHN-SECBINFHSA-N	-1	0	264.300	3.168	20	30		CGEDRM
Cc1cc(N)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001214121772	815372474	/nfs/dbraw/zinc/37/24/74/815372474.db2.gz	PYXUEBVLTSHNIE-UHFFFAOYSA-N	-1	0	257.268	3.037	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)CC1	ZINC001190815238	810651271	/nfs/dbraw/zinc/65/12/71/810651271.db2.gz	GYSVCHDFTAYIAH-UHFFFAOYSA-N	-1	0	290.388	3.026	20	30		CGEDRM
C[C@@H](C#N)c1ccc(NC(=O)c2cccc(C#N)c2[O-])cc1	ZINC001193652852	810929185	/nfs/dbraw/zinc/92/91/85/810929185.db2.gz	QBKZHMOGSCGCKN-NSHDSACASA-N	-1	0	291.310	3.143	20	30		CGEDRM
Cc1cc(C#N)cc(C(=O)Nc2ccccc2[S-])c1	ZINC001195419609	811252709	/nfs/dbraw/zinc/25/27/09/811252709.db2.gz	NGWDJYJGNMPKOE-UHFFFAOYSA-N	-1	0	268.341	3.408	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=S)Nc2ccccc2F)c1	ZINC001195775787	811291912	/nfs/dbraw/zinc/29/19/12/811291912.db2.gz	KLFHALURJPEMKA-UHFFFAOYSA-N	-1	0	287.319	3.212	20	30		CGEDRM
Cc1c(F)ccc(F)c1C(=O)Nc1ccc(C#N)cc1O	ZINC001196735242	811360469	/nfs/dbraw/zinc/36/04/69/811360469.db2.gz	BUKIRTAXNBCRST-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1ccncc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214738546	815447616	/nfs/dbraw/zinc/44/76/16/815447616.db2.gz	LQSMVJSBHWJRKZ-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1ccc(Cl)c([O-])c1F	ZINC001214806964	815454536	/nfs/dbraw/zinc/45/45/36/815454536.db2.gz	PVVOWAQDEZYCKD-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001215276309	815501786	/nfs/dbraw/zinc/50/17/86/815501786.db2.gz	CCTODRSHARYJPT-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2c([O-])cccc2F)c1	ZINC001202787631	812174288	/nfs/dbraw/zinc/17/42/88/812174288.db2.gz	OROHIPCOODFIOA-UHFFFAOYSA-N	-1	0	271.251	3.047	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccsc2C(=O)[O-])c(F)c1	ZINC001215394131	815515717	/nfs/dbraw/zinc/51/57/17/815515717.db2.gz	LYFBKRMFVMSTPF-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1F	ZINC001204061083	812537099	/nfs/dbraw/zinc/53/70/99/812537099.db2.gz	OJNMZWOVPOGGFU-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
CCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C)n1	ZINC001215579826	815541979	/nfs/dbraw/zinc/54/19/79/815541979.db2.gz	YQCYPQROYGQCHP-UHFFFAOYSA-N	-1	0	287.294	3.249	20	30		CGEDRM
Cc1cccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1	ZINC001204656589	812701201	/nfs/dbraw/zinc/70/12/01/812701201.db2.gz	POUXUUOJCQUFRZ-UHFFFAOYSA-N	-1	0	279.319	3.247	20	30		CGEDRM
C#Cc1cccnc1Nc1ccc(C(=O)[O-])c(C)c1Cl	ZINC001215690190	815558241	/nfs/dbraw/zinc/55/82/41/815558241.db2.gz	KVUUTZSTDKONAE-UHFFFAOYSA-N	-1	0	286.718	3.467	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccsc2C(=O)[O-])n1	ZINC001205377453	812975685	/nfs/dbraw/zinc/97/56/85/812975685.db2.gz	CODNRYIMFCSMNM-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3ccsc3C(=O)[O-])cc12	ZINC001205579420	813010403	/nfs/dbraw/zinc/01/04/03/813010403.db2.gz	LVARZCKXKDFFSN-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
C[C@@H](C#C[Si](C)(C)C)OCc1ccc(C(=O)[O-])cc1	ZINC001205680713	813051136	/nfs/dbraw/zinc/05/11/36/813051136.db2.gz	JHEXYDJGYJIUJV-LBPRGKRZSA-N	-1	0	276.408	3.171	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(OC)c(C(=O)[O-])c1	ZINC001209903365	814195153	/nfs/dbraw/zinc/19/51/53/814195153.db2.gz	UDXDELDASZTUCR-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
CC(C)(C)n1cc(C#N)cc1Nc1cccc(CC(=O)[O-])c1	ZINC001210068358	814272078	/nfs/dbraw/zinc/27/20/78/814272078.db2.gz	VVJCRPBUNBLIGX-UHFFFAOYSA-N	-1	0	297.358	3.485	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1cccc(CC(=O)[O-])c1	ZINC001210071827	814273984	/nfs/dbraw/zinc/27/39/84/814273984.db2.gz	GSPIVDXKPOICTA-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
COc1cccc(Nc2ccnc(Cl)c2[O-])c1C#N	ZINC001210121685	814298236	/nfs/dbraw/zinc/29/82/36/814298236.db2.gz	GAORRYDAGGDRSU-UHFFFAOYSA-N	-1	0	275.695	3.064	20	30		CGEDRM
N#CCc1cc(Nc2cccc(C(=O)[O-])c2F)ccc1F	ZINC001210244941	814362804	/nfs/dbraw/zinc/36/28/04/814362804.db2.gz	LARNBGJGUVELRL-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)c(C#N)c1	ZINC001210246791	814364798	/nfs/dbraw/zinc/36/47/98/814364798.db2.gz	YITPDYBEAKNFFV-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
N#Cc1cc(Nc2ccc(OC(F)F)nc2)c([O-])cc1F	ZINC001210305807	814394504	/nfs/dbraw/zinc/39/45/04/814394504.db2.gz	IYNBTIFSTMENBQ-UHFFFAOYSA-N	-1	0	295.220	3.143	20	30		CGEDRM
Cc1csc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C#N	ZINC001210392241	814440171	/nfs/dbraw/zinc/44/01/71/814440171.db2.gz	DQISEVJTNVVRON-UHFFFAOYSA-N	-1	0	275.289	3.286	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1scc([O-])c1C#N	ZINC001210495396	814488456	/nfs/dbraw/zinc/48/84/56/814488456.db2.gz	QVUDBTPGLOWKDD-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccnc(Cl)c1[O-]	ZINC001210551283	814521639	/nfs/dbraw/zinc/52/16/39/814521639.db2.gz	OYZFFCUVKPIHSB-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1cc([N-]c2nnc(C(C)(C)C)o2)ccc1C#N	ZINC001210802363	814633963	/nfs/dbraw/zinc/63/39/63/814633963.db2.gz	BBCRUFSIVNHXAH-UHFFFAOYSA-N	-1	0	256.309	3.291	20	30		CGEDRM
N#Cc1cn(-c2cccc([O-])c2Cl)c2cc(N)ccc12	ZINC001210859926	814653724	/nfs/dbraw/zinc/65/37/24/814653724.db2.gz	MLTDQTGOFRIYBE-UHFFFAOYSA-N	-1	0	283.718	3.443	20	30		CGEDRM
C=CCn1cnc2c1ncnc2Nc1cccc([S-])c1	ZINC001210944972	814684046	/nfs/dbraw/zinc/68/40/46/814684046.db2.gz	FJNPKTRYAGYBKN-UHFFFAOYSA-N	-1	0	283.360	3.045	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(C)cc(C(=O)[O-])c1	ZINC001211547845	814905433	/nfs/dbraw/zinc/90/54/33/814905433.db2.gz	YIPFCVXREWSIRN-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1ccc(Nc2sccc2C#N)cc1C(=O)[O-]	ZINC001211594354	814913979	/nfs/dbraw/zinc/91/39/79/814913979.db2.gz	UPUQNLQIXWNKKF-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)cc(O)c1F	ZINC001216079444	815684602	/nfs/dbraw/zinc/68/46/02/815684602.db2.gz	MOIHSHJBTBGAOX-UHFFFAOYSA-N	-1	0	264.281	3.222	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)nc2C)cc(C)c1C(=O)[O-]	ZINC001216309845	815775419	/nfs/dbraw/zinc/77/54/19/815775419.db2.gz	MXASOUSUQMYIBV-UHFFFAOYSA-N	-1	0	281.315	3.320	20	30		CGEDRM
Cc1ncc(C#N)c(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242848616	823152241	/nfs/dbraw/zinc/15/22/41/823152241.db2.gz	CLLSXXLRSSACQN-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
Cc1c(Nc2ccc(Cl)nc2C#N)cccc1C(=O)[O-]	ZINC001216656945	815885679	/nfs/dbraw/zinc/88/56/79/815885679.db2.gz	MHTJSZVWQXMTBR-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(Nc2cccc(C(=O)[O-])c2C)cnc1C#N	ZINC001216658820	815886328	/nfs/dbraw/zinc/88/63/28/815886328.db2.gz	JNUAEYPLGAAYAH-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cccc(C(=O)[O-])c2C)c1	ZINC001216661952	815888755	/nfs/dbraw/zinc/88/87/55/815888755.db2.gz	VQDJCICZMFFHKW-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)n1	ZINC001222658102	816492705	/nfs/dbraw/zinc/49/27/05/816492705.db2.gz	KMSXBILLSSQNSX-UHFFFAOYSA-N	-1	0	292.338	3.353	20	30		CGEDRM
Cc1cc(C#N)cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)n1	ZINC001222673035	816496135	/nfs/dbraw/zinc/49/61/35/816496135.db2.gz	VKMVFGDRGRJBGK-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)C(F)(F)F	ZINC001223597519	816655367	/nfs/dbraw/zinc/65/53/67/816655367.db2.gz	WAQNPXLJLBJAMT-WVPVVJIMSA-N	-1	0	267.634	3.443	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H](C)C2CCCC2)c1	ZINC001223890988	816698688	/nfs/dbraw/zinc/69/86/88/816698688.db2.gz	AWOHRGTVKFEGPK-RRGFCBMYSA-N	-1	0	293.363	3.435	20	30		CGEDRM
N#CCc1ccc(-c2ccc(F)c([O-])c2)cc1C#N	ZINC001243048166	823224741	/nfs/dbraw/zinc/22/47/41/823224741.db2.gz	IZPLJMDCOIJUFP-UHFFFAOYSA-N	-1	0	252.248	3.136	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665698	817133260	/nfs/dbraw/zinc/13/32/60/817133260.db2.gz	DKCMRRBKNAJJKN-WCQYABFASA-N	-1	0	290.319	3.375	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2F)C1	ZINC001225882675	817205694	/nfs/dbraw/zinc/20/56/94/817205694.db2.gz	WHGTYFHNZPZWNA-JQWIXIFHSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226014904	817250236	/nfs/dbraw/zinc/25/02/36/817250236.db2.gz	CNINNKWDUQHCRU-AWEZNQCLSA-N	-1	0	296.301	3.007	20	30		CGEDRM
C[C@H]1CC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1	ZINC001226065150	817262619	/nfs/dbraw/zinc/26/26/19/817262619.db2.gz	SHYZEDKKOXXBKK-JGVFFNPUSA-N	-1	0	286.253	3.245	20	30		CGEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1cccc(/C=N/O)c1	ZINC001226115637	817276842	/nfs/dbraw/zinc/27/68/42/817276842.db2.gz	GQEPLAPNRIQFCC-IQGJIOQQSA-N	-1	0	257.333	3.478	20	30		CGEDRM
C[C@@H](Oc1nccc(/C=N/O)n1)c1csc(Cl)c1	ZINC001226252871	817312463	/nfs/dbraw/zinc/31/24/63/817312463.db2.gz	BECLRLJQMLDDQF-LTCVEOEISA-N	-1	0	283.740	3.140	20	30		CGEDRM
CC[C@@H](Oc1nccc(/C=N/O)n1)c1cccc(F)c1C	ZINC001226257277	817313098	/nfs/dbraw/zinc/31/30/98/817313098.db2.gz	YYKQDADMRVAPAC-UHPUNMKFSA-N	-1	0	289.310	3.262	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111068	817561267	/nfs/dbraw/zinc/56/12/67/817561267.db2.gz	DLLVVELSZLZZHC-SECBINFHSA-N	-1	0	256.733	3.268	20	30		CGEDRM
C=CC[C@H](CCC)Oc1[nH]c(=O)ncc1Br	ZINC001227136607	817568210	/nfs/dbraw/zinc/56/82/10/817568210.db2.gz	BBVPJXGAFDKZHI-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cnc3ccc(C#N)cc3n2)c1	ZINC001243178831	823275198	/nfs/dbraw/zinc/27/51/98/823275198.db2.gz	ROQUJYBFESRZLZ-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243200643	823287796	/nfs/dbraw/zinc/28/77/96/823287796.db2.gz	MUNGQTUKGUYIBJ-UHFFFAOYSA-N	-1	0	284.315	3.023	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(C(=O)[O-])cc2C)nc1C#N	ZINC001243202970	823288515	/nfs/dbraw/zinc/28/85/15/823288515.db2.gz	LJVHYCGPXAIQSG-UHFFFAOYSA-N	-1	0	294.310	3.192	20	30		CGEDRM
C[C@H](CS)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228186641	817834055	/nfs/dbraw/zinc/83/40/55/817834055.db2.gz	SQSRBWPKQHBUSP-LLVKDONJSA-N	-1	0	288.368	3.320	20	30		CGEDRM
COC(=O)c1cc(-c2ccc(C(=O)[O-])c(C)c2)ccc1C#N	ZINC001243219012	823298168	/nfs/dbraw/zinc/29/81/68/823298168.db2.gz	YAFYIKBXUPIKDF-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(-c2ncnc3ccc(C#N)cc32)ccc1C(=O)[O-]	ZINC001243210695	823293158	/nfs/dbraw/zinc/29/31/58/823293158.db2.gz	NCDSIFDMPXOZHS-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C#C[C@H](Oc1[n-]ncc(=O)c1Cl)[C@H](CC)CCCC	ZINC001228387351	817896049	/nfs/dbraw/zinc/89/60/49/817896049.db2.gz	NJHZYEFHGHKXDO-PWSUYJOCSA-N	-1	0	282.771	3.433	20	30		CGEDRM
C#C[C@H](CC)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210551	818057071	/nfs/dbraw/zinc/05/70/71/818057071.db2.gz	RWTNLJYAQPBZBU-CYBMUJFWSA-N	-1	0	280.323	3.414	20	30		CGEDRM
C=CCOC(=O)c1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1	ZINC001231302931	818072692	/nfs/dbraw/zinc/07/26/92/818072692.db2.gz	ONYGZPPTESKFLC-ZDUSSCGKSA-N	-1	0	269.320	3.497	20	30		CGEDRM
C[C@H](Oc1ccc(C(=O)CC#N)cc1)C1=CC=C[CH]1	ZINC001233526399	818633867	/nfs/dbraw/zinc/63/38/67/818633867.db2.gz	QQSZBTRABPFPCY-LBPRGKRZSA-N	-1	0	252.293	3.251	20	30		CGEDRM
N#CC1CC(Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234422801	818852097	/nfs/dbraw/zinc/85/20/97/818852097.db2.gz	AFBMUQAYBBOCML-UHFFFAOYSA-N	-1	0	262.359	3.266	20	30		CGEDRM
C=CCC[C@H](CC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514488	818871426	/nfs/dbraw/zinc/87/14/26/818871426.db2.gz	WPWUTSUBGQRPET-LBPRGKRZSA-N	-1	0	283.331	3.331	20	30		CGEDRM
CC[C@@H](C)[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529833	818875960	/nfs/dbraw/zinc/87/59/60/818875960.db2.gz	GOLNUVDFHOMFOH-ZJUUUORDSA-N	-1	0	271.320	3.020	20	30		CGEDRM
N#Cc1c(-c2ccc(C(=O)[O-])cc2)ccc2ncccc12	ZINC001236064795	819296718	/nfs/dbraw/zinc/29/67/18/819296718.db2.gz	WMRJTTIQWBXCQI-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236145127	819345735	/nfs/dbraw/zinc/34/57/35/819345735.db2.gz	VUWQZJBSASATAI-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(Cl)c([O-])c3)ccc2[nH]1	ZINC001243578889	823452961	/nfs/dbraw/zinc/45/29/61/823452961.db2.gz	LBUGFJZLOGUHFG-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
Cc1cnc(-c2ccc(C(F)(F)F)cc2[O-])c(C#N)n1	ZINC001243607925	823465771	/nfs/dbraw/zinc/46/57/71/823465771.db2.gz	ROGMXZDSYLOESQ-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1cc(-c2ccc(Cl)c(C#N)c2)cnc1C(=O)[O-]	ZINC001240403116	821023795	/nfs/dbraw/zinc/02/37/95/821023795.db2.gz	DHZUWDRJLFPXTJ-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cccc(C=CC(=O)[O-])c3)ccc12	ZINC001240547461	821134383	/nfs/dbraw/zinc/13/43/83/821134383.db2.gz	PVUQMFVGLQFYRD-QPJJXVBHSA-N	-1	0	289.294	3.199	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240547464	821134658	/nfs/dbraw/zinc/13/46/58/821134658.db2.gz	VITWXPBCHZMVMB-SOFGYWHQSA-N	-1	0	264.284	3.027	20	30		CGEDRM
C=C(C)c1cncc(-c2ccc(C(=O)[O-])cc2OC)c1	ZINC001240734560	821286937	/nfs/dbraw/zinc/28/69/37/821286937.db2.gz	BDBLHGURZQXHTJ-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
COc1cc(-c2ccc3[nH]c(C#N)cc3c2)ccc1C(=O)[O-]	ZINC001240744010	821295129	/nfs/dbraw/zinc/29/51/29/821295129.db2.gz	XRMRAMCLNXLHGP-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(-c2nc(C)c(C)c(C)c2C#N)ccc1C(=O)[O-]	ZINC001240744126	821295152	/nfs/dbraw/zinc/29/51/52/821295152.db2.gz	ZAHYBOYSZCAJCE-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])s1	ZINC001240847702	821368853	/nfs/dbraw/zinc/36/88/53/821368853.db2.gz	HZSYKMBNMJJXGW-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc2c(c1C#N)CCC2	ZINC001241001462	821479517	/nfs/dbraw/zinc/47/95/17/821479517.db2.gz	YXJKFPXUKPJCCM-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1ccccc1[O-]	ZINC001241002062	821480684	/nfs/dbraw/zinc/48/06/84/821480684.db2.gz	QUPZGLYSFBHBCJ-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
C=CCOc1ccc(-c2cc([O-])cc(F)c2)nc1C#N	ZINC001241261788	821680965	/nfs/dbraw/zinc/68/09/65/821680965.db2.gz	RAZASQHKTKPHOY-UHFFFAOYSA-N	-1	0	270.263	3.030	20	30		CGEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241346178	821750035	/nfs/dbraw/zinc/75/00/35/821750035.db2.gz	ZKVWOBAGGSZKGK-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1ccc(-c2ccc3oc(=S)[n-]c3c2)cn1	ZINC001241428082	821825328	/nfs/dbraw/zinc/82/53/28/821825328.db2.gz	BTJDYIQUKOXDNM-UHFFFAOYSA-N	-1	0	253.286	3.050	20	30		CGEDRM
Nc1cc(C(F)(F)F)c(-c2ccc(/C=N/[O-])c(F)c2)cn1	ZINC001241684237	822066806	/nfs/dbraw/zinc/06/68/06/822066806.db2.gz	QXFCZQVLLRVXAP-DENHBWNVSA-N	-1	0	299.227	3.297	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241828322	822165764	/nfs/dbraw/zinc/16/57/64/822165764.db2.gz	WMGQNWWETNEWLM-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
N#CCc1c(F)cccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241837090	822172862	/nfs/dbraw/zinc/17/28/62/822172862.db2.gz	LEESPYUNAJDBRI-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1cc(C#N)nc(-c2cc(C(F)(F)F)ccc2[O-])n1	ZINC001242131098	822888201	/nfs/dbraw/zinc/88/82/01/822888201.db2.gz	BEEWGLDKCWSXCX-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1cnc(-c2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1	ZINC001242203927	822908945	/nfs/dbraw/zinc/90/89/45/822908945.db2.gz	CJIRDYVATTVTTO-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1nc(-c2ccc(F)cc2[O-])ccc1C(F)(F)F	ZINC001242215796	822913628	/nfs/dbraw/zinc/91/36/28/822913628.db2.gz	GSSBZVIJUCYPCE-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
C[Si](C)(C)C#Cc1ccnc(-c2ccc(C(=O)[O-])nc2)c1	ZINC001242335556	822953891	/nfs/dbraw/zinc/95/38/91/822953891.db2.gz	IGZQFVNNCVBKOP-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
C[Si](C)(C)C#Cc1ccc(-c2ccc(C(=O)[O-])nc2)cn1	ZINC001242338521	822955078	/nfs/dbraw/zinc/95/50/78/822955078.db2.gz	ZHOMJESTKAHVKC-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
Cc1nc(-c2cccc(Cl)c2[O-])ccc1CC#N	ZINC001242365216	822968090	/nfs/dbraw/zinc/96/80/90/822968090.db2.gz	QEGICOOIAOABRJ-UHFFFAOYSA-N	-1	0	258.708	3.482	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cccc(Cl)c2[O-])n1	ZINC001242365288	822968794	/nfs/dbraw/zinc/96/87/94/822968794.db2.gz	TZNIYRSPDNDGKW-UHFFFAOYSA-N	-1	0	258.708	3.482	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(F)(F)F)c(C#N)n2)ccc1[O-]	ZINC001242562490	823032505	/nfs/dbraw/zinc/03/25/05/823032505.db2.gz	BKSSWMYVRXTQSY-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
N#Cc1cc(-c2nccc(-c3ccccc3)n2)ccc1[O-]	ZINC001242562444	823032563	/nfs/dbraw/zinc/03/25/63/823032563.db2.gz	YYWNLEFFMFNALP-UHFFFAOYSA-N	-1	0	273.295	3.388	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1	ZINC001346348946	936845928	/nfs/dbraw/zinc/84/59/28/936845928.db2.gz	CYKWMTKDRUPKKT-JTQLQIEISA-N	-1	0	279.361	3.017	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1[O-]	ZINC001353904961	937080733	/nfs/dbraw/zinc/08/07/33/937080733.db2.gz	NFNSDDXPTJAHFE-NSHDSACASA-N	-1	0	281.302	3.241	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1	ZINC001447059999	937366858	/nfs/dbraw/zinc/36/68/58/937366858.db2.gz	FGPDQPJEFPBCTG-CQSZACIVSA-N	-1	0	296.301	3.071	20	30		CGEDRM
C#CCC1(NC(=O)c2cc(F)cc(F)c2[O-])CCCCC1	ZINC001456184708	937427622	/nfs/dbraw/zinc/42/76/22/937427622.db2.gz	OBYBBQFDLPTKNB-UHFFFAOYSA-N	-1	0	293.313	3.126	20	30		CGEDRM
CCOc1ccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228901127	932047955	/nfs/dbraw/zinc/04/79/55/932047955.db2.gz	JSZYMENCVUNAQR-LLVKDONJSA-N	-1	0	284.315	3.198	20	30		CGEDRM
CCC1=C(Oc2ccc([S-])cc2C)C(=O)[C@H](C)O1	ZINC001229635231	932182426	/nfs/dbraw/zinc/18/24/26/932182426.db2.gz	UADKDWQLEUGBPS-VIFPVBQESA-N	-1	0	264.346	3.272	20	30		CGEDRM
O=C([O-])c1ccccc1C=NNCc1ccccc1Cl	ZINC001322680828	934329370	/nfs/dbraw/zinc/32/93/70/934329370.db2.gz	FDXMVLLSGGUEEB-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
C[C@H]1C(=NOC(C)(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC001326241261	934962285	/nfs/dbraw/zinc/96/22/85/934962285.db2.gz	ZDFIHTOFKCRQAO-VHSXEESVSA-N	-1	0	255.358	3.314	20	30		CGEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC001536827052	938106932	/nfs/dbraw/zinc/10/69/32/938106932.db2.gz	WCMBVFIPVVYYQA-AWEZNQCLSA-N	-1	0	280.755	3.104	20	30		CGEDRM
C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(F)c1[O-]	ZINC001537067173	938107945	/nfs/dbraw/zinc/10/79/45/938107945.db2.gz	AOUJECDSWCEMFI-LLVKDONJSA-N	-1	0	298.317	3.236	20	30		CGEDRM
C=CCCCNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-]	ZINC001556474388	938203935	/nfs/dbraw/zinc/20/39/35/938203935.db2.gz	JTSBHGVJYHNHCH-UHFFFAOYSA-N	-1	0	299.326	3.161	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1c(C)cccc1C(=O)[O-])OCC	ZINC001602706851	971339106	/nfs/dbraw/zinc/33/91/06/971339106.db2.gz	CRTAWRQZCUVVQR-ZDUSSCGKSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C=CCC1(NC(=O)c2cccc(C(=O)[O-])c2)CCCCC1	ZINC001602718494	971375393	/nfs/dbraw/zinc/37/53/93/971375393.db2.gz	OAGSACPYQCOARM-UHFFFAOYSA-N	-1	0	287.359	3.394	20	30		CGEDRM
C=CCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2	ZINC001602718825	971377551	/nfs/dbraw/zinc/37/75/51/971377551.db2.gz	BYXMTUJHMZTOCW-SECBINFHSA-N	-1	0	293.388	3.476	20	30		CGEDRM
CC[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000162512762	949393314	/nfs/dbraw/zinc/39/33/14/949393314.db2.gz	HSCUAXPFJGRGOJ-SECBINFHSA-N	-1	0	255.726	3.167	20	30		CGEDRM
N#Cc1ccc(Oc2ccc(C(=O)[O-])cc2Cl)nc1	ZINC000048803757	957460729	/nfs/dbraw/zinc/46/07/29/957460729.db2.gz	DQGBQECISBOKDQ-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC001589480224	960497173	/nfs/dbraw/zinc/49/71/73/960497173.db2.gz	LWIRIOXUZPDWAZ-UHFFFAOYSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CCCC[C@@H](Nc1ccc(CCC#N)cc1)C(=O)[O-]	ZINC001595642555	960530940	/nfs/dbraw/zinc/53/09/40/960530940.db2.gz	UBUWTNYUDLABNR-CQSZACIVSA-N	-1	0	260.337	3.198	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)s1	ZINC001597626654	960538502	/nfs/dbraw/zinc/53/85/02/960538502.db2.gz	YIXJWJNUDHSKPA-ARJAWSKDSA-N	-1	0	293.369	3.361	20	30		CGEDRM
CCCCCCCNC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC001603641032	960553524	/nfs/dbraw/zinc/55/35/24/960553524.db2.gz	SRXJXLOYYWKFLL-AWEZNQCLSA-N	-1	0	298.427	3.386	20	30		CGEDRM
C#Cc1cccc(NCc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000236476489	960660822	/nfs/dbraw/zinc/66/08/22/960660822.db2.gz	MIHQTQBNAFVXKH-UHFFFAOYSA-N	-1	0	269.275	3.117	20	30		CGEDRM
N#Cc1sccc1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC001566588770	960966734	/nfs/dbraw/zinc/96/67/34/960966734.db2.gz	BLBGLHREKUNBQU-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001573328342	962236880	/nfs/dbraw/zinc/23/68/80/962236880.db2.gz	GWCNEIYJXNXMIN-MRXNPFEDSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C#C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Cl)C(C)(C)C	ZINC001588377669	962756449	/nfs/dbraw/zinc/75/64/49/962756449.db2.gz	PKBZZWBRSOQMBG-OLZOCXBDSA-N	-1	0	279.767	3.103	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001573347986	962954370	/nfs/dbraw/zinc/95/43/70/962954370.db2.gz	RHZLZDSTELUIFA-HNNXBMFYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC001573348170	962955549	/nfs/dbraw/zinc/95/55/49/962955549.db2.gz	SYWVAQQRLBADHS-CZUORRHYSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@H](Nc1cc(C)c(Br)c(C)c1)C(=O)[O-]	ZINC000301054051	963064504	/nfs/dbraw/zinc/06/45/04/963064504.db2.gz	ZOIQCQGTMPVCFD-JTQLQIEISA-N	-1	0	284.153	3.117	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588731356	963144749	/nfs/dbraw/zinc/14/47/49/963144749.db2.gz	HNIJZAUBBVCYDO-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C#C[C@@H](N[C@H](CCCC)C(=O)[O-])c1ccc(Cl)cc1	ZINC001588376105	963267053	/nfs/dbraw/zinc/26/70/53/963267053.db2.gz	BHKVFBFXKFRYCP-ZIAGYGMSSA-N	-1	0	279.767	3.247	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588451105	963267087	/nfs/dbraw/zinc/26/70/87/963267087.db2.gz	MNHVFGOLCIOVBA-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C#C[C@@](C)(CC)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC001588367329	963267782	/nfs/dbraw/zinc/26/77/82/963267782.db2.gz	QFOOEAHCKLERKO-JSGCOSHPSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C#CCN(Cc1ccc(C(=O)[O-])o1)[C@H]1CCc2ccccc21	ZINC001588469516	963273784	/nfs/dbraw/zinc/27/37/84/963273784.db2.gz	JMSXIBMTBRDHAD-INIZCTEOSA-N	-1	0	295.338	3.101	20	30		CGEDRM
C#Cc1ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)cc1	ZINC001588517551	963274222	/nfs/dbraw/zinc/27/42/22/963274222.db2.gz	UVFJDQTVKVVYKK-ZDUSSCGKSA-N	-1	0	279.339	3.468	20	30		CGEDRM
C#Cc1ccc(NCc2cc(C)c(C(=O)[O-])[nH]2)c(Cl)c1	ZINC001588518103	963280287	/nfs/dbraw/zinc/28/02/87/963280287.db2.gz	QLEAMUNIIHWGBB-UHFFFAOYSA-N	-1	0	288.734	3.268	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)OCc1ccccc1C(=O)[O-]	ZINC001588537111	963282279	/nfs/dbraw/zinc/28/22/79/963282279.db2.gz	YTSKQGVTMKINEU-LLVKDONJSA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001588535300	963288554	/nfs/dbraw/zinc/28/85/54/963288554.db2.gz	HIXPLJLMLMTHSM-GFCCVEGCSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccccc1Cl	ZINC001588607212	963290534	/nfs/dbraw/zinc/29/05/34/963290534.db2.gz	WHCHDDAWYFJNOJ-NSHDSACASA-N	-1	0	295.766	3.280	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC(C)C)cc1C	ZINC001588630007	963291416	/nfs/dbraw/zinc/29/14/16/963291416.db2.gz	ZVLWMKQMCUFAKM-UHFFFAOYSA-N	-1	0	291.347	3.142	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(CC(C)C)CCCC1	ZINC001588623776	963292889	/nfs/dbraw/zinc/29/28/89/963292889.db2.gz	XCIQDFGUMYOXMJ-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC(C)(C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001588680673	963297338	/nfs/dbraw/zinc/29/73/38/963297338.db2.gz	DOOCUIFLLNIYLF-UHFFFAOYSA-N	-1	0	282.727	3.124	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588682665	963297864	/nfs/dbraw/zinc/29/78/64/963297864.db2.gz	PCPBJJCXQRPQMV-INIZCTEOSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC001588690733	963297979	/nfs/dbraw/zinc/29/79/79/963297979.db2.gz	JYKHUFCIHLQCAH-GFCCVEGCSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-]	ZINC001588690665	963298027	/nfs/dbraw/zinc/29/80/27/963298027.db2.gz	HMQHKAKTUPWIQL-UKRRQHHQSA-N	-1	0	289.375	3.485	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588677086	963298887	/nfs/dbraw/zinc/29/88/87/963298887.db2.gz	OVNCHOARFJGHSH-UHFFFAOYSA-N	-1	0	290.363	3.417	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)OCc1ccc(C(=O)[O-])s1	ZINC001588682627	963298898	/nfs/dbraw/zinc/29/88/98/963298898.db2.gz	OOJWUJJODRDKTN-CYBMUJFWSA-N	-1	0	268.334	3.092	20	30		CGEDRM
C=C1CC(C)(c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)C1	ZINC001588644206	963299805	/nfs/dbraw/zinc/29/98/05/963299805.db2.gz	HHJVCVJHIRVLJO-WDEREUQCSA-N	-1	0	276.336	3.036	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588683370	963300095	/nfs/dbraw/zinc/30/00/95/963300095.db2.gz	YVWBYNXOQYYPCC-CQSZACIVSA-N	-1	0	296.392	3.046	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588682666	963300329	/nfs/dbraw/zinc/30/03/29/963300329.db2.gz	PCPBJJCXQRPQMV-MRXNPFEDSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588690772	963302896	/nfs/dbraw/zinc/30/28/96/963302896.db2.gz	LFICAPNXLAMFPS-NSHDSACASA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588719145	963304001	/nfs/dbraw/zinc/30/40/01/963304001.db2.gz	MCPHCVGNXKMDPQ-JTQLQIEISA-N	-1	0	292.310	3.096	20	30		CGEDRM
C=C[C@@H](Sc1nc2ccc(F)cc2s1)C(=O)[O-]	ZINC001588714378	963305516	/nfs/dbraw/zinc/30/55/16/963305516.db2.gz	GGENMVYPTRAYKD-MRVPVSSYSA-N	-1	0	269.322	3.167	20	30		CGEDRM
C=C[C@H](SCc1cccc(OC(F)F)c1)C(=O)[O-]	ZINC001588714634	963306651	/nfs/dbraw/zinc/30/66/51/963306651.db2.gz	JUKNYMCKGLQNST-JTQLQIEISA-N	-1	0	274.288	3.160	20	30		CGEDRM
C=C[C@H](Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-]	ZINC001588702538	963307021	/nfs/dbraw/zinc/30/70/21/963307021.db2.gz	TXFHRHSWWNHFLO-LBPRGKRZSA-N	-1	0	292.335	3.085	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CCC1	ZINC001588765219	963307962	/nfs/dbraw/zinc/30/79/62/963307962.db2.gz	UCAUUXOVLASDNW-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=CC[C@H](OC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-]	ZINC001588754336	963310143	/nfs/dbraw/zinc/31/01/43/963310143.db2.gz	YEXHESVSYKETEX-LBPRGKRZSA-N	-1	0	298.285	3.129	20	30		CGEDRM
C=CC[C@@H](Nc1ccc(COC(C)C)cc1)C(=O)[O-]	ZINC001588752554	963310742	/nfs/dbraw/zinc/31/07/42/963310742.db2.gz	YJLDMVCVPLHLBY-CQSZACIVSA-N	-1	0	263.337	3.053	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588771538	963313721	/nfs/dbraw/zinc/31/37/21/963313721.db2.gz	XEUUDYDDOLNINJ-RISCZKNCSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001588783027	963314662	/nfs/dbraw/zinc/31/46/62/963314662.db2.gz	UOAJRDNPVRNIRR-CYBMUJFWSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C=CCCCCCN(C)C(=O)CC(C)(C)CC(=O)[O-]	ZINC001588799907	963320275	/nfs/dbraw/zinc/32/02/75/963320275.db2.gz	OTPNHBCNZIPHKT-UHFFFAOYSA-N	-1	0	269.385	3.082	20	30		CGEDRM
C=CCCCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001588802748	963320970	/nfs/dbraw/zinc/32/09/70/963320970.db2.gz	WWFLWDSPEWLSCT-UHFFFAOYSA-N	-1	0	265.265	3.028	20	30		CGEDRM
C=CCCCN(CC)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588801699	963322583	/nfs/dbraw/zinc/32/25/83/963322583.db2.gz	VFBCQMGPONCGDK-UHFFFAOYSA-N	-1	0	294.326	3.344	20	30		CGEDRM
C/C(=C\C(=O)[O-])CSc1ccc(C#N)cc1Cl	ZINC001588951561	963329631	/nfs/dbraw/zinc/32/96/31/963329631.db2.gz	CLJFFYDMGFBNOU-XBXARRHUSA-N	-1	0	267.737	3.335	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000311732192	963507247	/nfs/dbraw/zinc/50/72/47/963507247.db2.gz	OQQKRLDXUTUSKJ-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
N#CC1(c2ccccc2)CC(Nc2cccc(C(=O)[O-])c2)C1	ZINC000315805638	963937872	/nfs/dbraw/zinc/93/78/72/963937872.db2.gz	HXBXLIWERKXVQR-UHFFFAOYSA-N	-1	0	292.338	3.421	20	30		CGEDRM
C[C@H](C#N)CN(Cc1c(Cl)cccc1C(=O)[O-])C1CC1	ZINC001589330578	963985444	/nfs/dbraw/zinc/98/54/44/963985444.db2.gz	JYAQUMZWAUEJQA-SNVBAGLBSA-N	-1	0	292.766	3.162	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001589645149	964011631	/nfs/dbraw/zinc/01/16/31/964011631.db2.gz	RNXKFNCHADRWJD-MGPQQGTHSA-N	-1	0	283.412	3.210	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC001588440863	964046876	/nfs/dbraw/zinc/04/68/76/964046876.db2.gz	UPATUPNKABEDPU-ZDUSSCGKSA-N	-1	0	287.359	3.397	20	30		CGEDRM
C#CCCCCCOC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588441394	964050867	/nfs/dbraw/zinc/05/08/67/964050867.db2.gz	GGPZBZBUHMMAEF-UHFFFAOYSA-N	-1	0	294.734	3.389	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC000405365278	973850081	/nfs/dbraw/zinc/85/00/81/973850081.db2.gz	FXCDNXMAJKUDSG-QWHCGFSZSA-N	-1	0	269.385	3.107	20	30		CGEDRM
N#Cc1cc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cs1	ZINC001605591820	973889072	/nfs/dbraw/zinc/88/90/72/973889072.db2.gz	BBUAWVIBPQQTBM-AWEZNQCLSA-N	-1	0	298.367	3.198	20	30		CGEDRM
CCCC[C@@H](SCc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC001595654031	982038526	/nfs/dbraw/zinc/03/85/26/982038526.db2.gz	ADZXORJWLNXXAU-CQSZACIVSA-N	-1	0	293.388	3.443	20	30		CGEDRM
CCCCC[C@@H](NC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001595672291	982132026	/nfs/dbraw/zinc/13/20/26/982132026.db2.gz	ODFILJRRHDXRKQ-CYBMUJFWSA-N	-1	0	294.395	3.000	20	30		CGEDRM
CCCCC[C@@H](Nc1nc(C#N)c(Cl)s1)C(=O)[O-]	ZINC001595686834	982177018	/nfs/dbraw/zinc/17/70/18/982177018.db2.gz	IAJUYZGEYAUBRD-SSDOTTSWSA-N	-1	0	287.772	3.114	20	30		CGEDRM
CCCCCCCCNC(=O)NCc1cc(C(=O)[O-])co1	ZINC001595704283	982273636	/nfs/dbraw/zinc/27/36/36/982273636.db2.gz	BWMXWLPHQRFDKJ-UHFFFAOYSA-N	-1	0	296.367	3.138	20	30		CGEDRM
CCN(Cc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1	ZINC001596364404	983845585	/nfs/dbraw/zinc/84/55/85/983845585.db2.gz	DFZRFEMFCKBPLF-UHFFFAOYSA-N	-1	0	298.317	3.422	20	30		CGEDRM
CCc1ccc(NCc2ccc(C#N)cc2)c(C(=O)[O-])c1	ZINC001597552046	988278181	/nfs/dbraw/zinc/27/81/81/988278181.db2.gz	PWFVQBFECXMGJU-UHFFFAOYSA-N	-1	0	280.327	3.431	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(N[C@H](C(=O)[O-])C(C)(C)C)n1	ZINC001590471911	990041908	/nfs/dbraw/zinc/04/19/08/990041908.db2.gz	DFXNGRMLVHKUCV-GFCCVEGCSA-N	-1	0	289.379	3.162	20	30		CGEDRM
COCc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001599295495	997132933	/nfs/dbraw/zinc/13/29/33/997132933.db2.gz	NFUFPXKGXOZZPJ-WAYWQWQTSA-N	-1	0	286.283	3.020	20	30		CGEDRM
CCCc1nc(=NCc2ccc(C#N)c(Cl)c2)s[n-]1	ZINC000589692377	346808454	/nfs/dbraw/zinc/80/84/54/346808454.db2.gz	RYVVJJJFNRYVNY-UHFFFAOYSA-N	-1	0	292.795	3.050	20	30		CGEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000621500929	349536302	/nfs/dbraw/zinc/53/63/02/349536302.db2.gz	HKFFCEOXGUQHFL-UHFFFAOYSA-N	-1	0	281.311	3.218	20	30		CGEDRM
N#CC1(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000590319939	346842343	/nfs/dbraw/zinc/84/23/43/346842343.db2.gz	LTHGPZQCJZZJIE-UHFFFAOYSA-N	-1	0	285.130	3.331	20	30		CGEDRM
CC(C)(CCNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595970588	347373418	/nfs/dbraw/zinc/37/34/18/347373418.db2.gz	ZAMMQRKKPXWIBO-UHFFFAOYSA-N	-1	0	282.290	3.409	20	30		CGEDRM
CC(C)[C@H](CC(F)(F)F)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596203136	347398367	/nfs/dbraw/zinc/39/83/67/347398367.db2.gz	MJVPEUOPYDKCAF-LURJTMIESA-N	-1	0	297.733	3.479	20	30		CGEDRM
CCCC[C@@H](Sc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000600675345	347828307	/nfs/dbraw/zinc/82/83/07/347828307.db2.gz	LPDWBPIBXNPZTH-SNVBAGLBSA-N	-1	0	284.768	3.342	20	30		CGEDRM
CCCCc1[n-]n(Cc2cccc(C#N)c2)c(=O)c1C	ZINC000601944593	347928004	/nfs/dbraw/zinc/92/80/04/347928004.db2.gz	MHOJKJFKGQNFAH-LBPRGKRZSA-N	-1	0	269.348	3.083	20	30		CGEDRM
C=CCN=c1[n-]nc(S[C@@H]2CCC[C@H](C)C2)s1	ZINC000605075991	348146510	/nfs/dbraw/zinc/14/65/10/348146510.db2.gz	BZCWRMOOCJQQTQ-VHSXEESVSA-N	-1	0	269.439	3.229	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)c1cc(=O)[nH][n-]1	ZINC000613900995	348639316	/nfs/dbraw/zinc/63/93/16/348639316.db2.gz	LKVVBTBJXRVQOZ-UHFFFAOYSA-N	-1	0	285.347	3.220	20	30		CGEDRM
Cc1sc(/C=C\c2ccc(C#N)cc2F)nc1C(=O)[O-]	ZINC000352034865	219297411	/nfs/dbraw/zinc/29/74/11/219297411.db2.gz	IVFMOPDREBHLDO-PLNGDYQASA-N	-1	0	288.303	3.331	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630203727	350817266	/nfs/dbraw/zinc/81/72/66/350817266.db2.gz	DMHLZFNSWKYDGY-RYUDHWBXSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=CCN(C(=O)CC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000630290094	350820559	/nfs/dbraw/zinc/82/05/59/350820559.db2.gz	VZQPHJZUXXXRMM-UHFFFAOYSA-N	-1	0	275.348	3.097	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)[O-]	ZINC000630326392	350824047	/nfs/dbraw/zinc/82/40/47/350824047.db2.gz	PHTBRIHDDAHCJD-TZMCWYRMSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC(C)(C)CN=c1[n-]c([C@@H](C)OC)ns1	ZINC000631450431	351043311	/nfs/dbraw/zinc/04/33/11/351043311.db2.gz	IGJDQQNENRLVMU-SNVBAGLBSA-N	-1	0	269.414	3.072	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cccc(Cl)c2[O-])C1	ZINC000632143491	351171891	/nfs/dbraw/zinc/17/18/91/351171891.db2.gz	WSOHPFQEKMJBEG-UHFFFAOYSA-N	-1	0	251.713	3.340	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634927598	351604966	/nfs/dbraw/zinc/60/49/66/351604966.db2.gz	UAELNMVPJMEUDR-XJKCOSOUSA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1nsc(NC(=O)N2C[C@@H](C)c3ccccc32)c1C#N	ZINC000459553516	242130500	/nfs/dbraw/zinc/13/05/00/242130500.db2.gz	YKGMRDXDWNXXOT-SECBINFHSA-N	-1	0	298.371	3.479	20	30		CGEDRM
CCc1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1	ZINC000121749607	370891112	/nfs/dbraw/zinc/89/11/12/370891112.db2.gz	DWMKDCZRYYAKHJ-SECBINFHSA-N	-1	0	296.355	3.072	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000016101208	368707386	/nfs/dbraw/zinc/70/73/86/368707386.db2.gz	LJMMJCVXCSWTJT-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519758	369356845	/nfs/dbraw/zinc/35/68/45/369356845.db2.gz	RDQFWPOIUCKTSN-UHFFFAOYSA-N	-1	0	295.404	3.257	20	30		CGEDRM
Cc1[n-]n(-c2ncc(Cl)cc2Cl)c(=O)c1CCC#N	ZINC000058200905	369557888	/nfs/dbraw/zinc/55/78/88/369557888.db2.gz	ZOWRLYUBIXOAAU-SECBINFHSA-N	-1	0	297.145	3.031	20	30		CGEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000100213236	370273803	/nfs/dbraw/zinc/27/38/03/370273803.db2.gz	JZPRNODNPCZPRF-FFCYNSPCSA-N	-1	0	270.288	3.481	20	30		CGEDRM
Cc1ccncc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000426174626	372151025	/nfs/dbraw/zinc/15/10/25/372151025.db2.gz	OLEOLYSFCXWIOF-LLVKDONJSA-N	-1	0	285.372	3.460	20	30		CGEDRM
CCS[C@@H]1CCC[C@@H](/N=C/c2ccc(O)c(O)c2O)C1	ZINC000176413883	373593226	/nfs/dbraw/zinc/59/32/26/373593226.db2.gz	HHVXMZXHDLHWQU-RTJZQMKSSA-N	-1	0	295.404	3.287	20	30		CGEDRM
C=CC[C@@H](C)[NH2+]Cc1cccc(O)c1Br	ZINC000314936779	374323297	/nfs/dbraw/zinc/32/32/97/374323297.db2.gz	AROUXBLJQGOEHB-SECBINFHSA-N	-1	0	270.170	3.209	20	30		CGEDRM
CCc1c(C)sc(NC(=O)c2cncs2)c1C#N	ZINC000335849284	375481657	/nfs/dbraw/zinc/48/16/57/375481657.db2.gz	WASJFCUPBWGOTB-UHFFFAOYSA-N	-1	0	277.374	3.199	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000192862159	375795448	/nfs/dbraw/zinc/79/54/48/375795448.db2.gz	HHUHHHKFPUVJFL-HIFRSBDPSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CC[C@H](C)[C@H](Nc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000561093742	377206136	/nfs/dbraw/zinc/20/61/36/377206136.db2.gz	XBASTKFJLJHZCQ-BONVTDFDSA-N	-1	0	283.331	3.018	20	30		CGEDRM
CC(C)c1nc(/C=C\c2cc(C#N)cs2)ncc1C(=O)[O-]	ZINC000254988503	377720859	/nfs/dbraw/zinc/72/08/59/377720859.db2.gz	SKMPQBXAHDUWNM-ARJAWSKDSA-N	-1	0	299.355	3.402	20	30		CGEDRM
CCc1nc(C(C)C)ccc1C([O-])=C(C#N)c1ccncn1	ZINC000345989209	378430921	/nfs/dbraw/zinc/43/09/21/378430921.db2.gz	GZKRTDOMYBXHSV-CYBMUJFWSA-N	-1	0	294.358	3.047	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nccc3ccccc32)co1	ZINC000361532195	381789467	/nfs/dbraw/zinc/78/94/67/381789467.db2.gz	WCKRUYGPSIGSMA-CYBMUJFWSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1[nH]c(C#N)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380107	392711473	/nfs/dbraw/zinc/71/14/73/392711473.db2.gz	KJSFCOQSLGMSCP-GFCCVEGCSA-N	-1	0	296.355	3.019	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647376033	392712197	/nfs/dbraw/zinc/71/21/97/392712197.db2.gz	KZIPYCIPXOIHCJ-JTQLQIEISA-N	-1	0	272.329	3.412	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\c1ccc(C#N)cn1	ZINC000530370557	392985485	/nfs/dbraw/zinc/98/54/85/392985485.db2.gz	WYYAFILRUGJLKL-XQRVVYSFSA-N	-1	0	278.311	3.439	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1c(F)ccc(O)c1F	ZINC000351398805	393187899	/nfs/dbraw/zinc/18/78/99/393187899.db2.gz	PFFUGOMIPHHMPL-UHFFFAOYSA-N	-1	0	282.334	3.432	20	30		CGEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1SC(C)C	ZINC000416952110	393344674	/nfs/dbraw/zinc/34/46/74/393344674.db2.gz	JBGCYWXTPFQNIV-LLVKDONJSA-N	-1	0	298.433	3.231	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C(F)F)n1	ZINC000673812322	543255587	/nfs/dbraw/zinc/25/55/87/543255587.db2.gz	VFPJDIGQNCBVDJ-SSDOTTSWSA-N	-1	0	297.286	3.176	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000685019230	544052444	/nfs/dbraw/zinc/05/24/44/544052444.db2.gz	SDWXVRVCQROTPG-JTQLQIEISA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000659166296	418963495	/nfs/dbraw/zinc/96/34/95/418963495.db2.gz	JYKCVLGFPBGIAL-KBUPBQIOSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCCCCN(C)C(=O)C(CC)(CC)C(=O)[O-]	ZINC000653296217	419024331	/nfs/dbraw/zinc/02/43/31/419024331.db2.gz	JZLCXZJKVMIKDE-UHFFFAOYSA-N	-1	0	269.385	3.082	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)NCCCCC(=O)[O-]	ZINC000666562595	419226487	/nfs/dbraw/zinc/22/64/87/419226487.db2.gz	RZWRKDRFQWYXAP-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nc2c(cccc2C)s1	ZINC000427774200	260834425	/nfs/dbraw/zinc/83/44/25/260834425.db2.gz	PNAVDCHPXGJEMF-UHFFFAOYSA-N	-1	0	296.417	3.313	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2cc(F)ccc2[O-])c1C	ZINC000156668126	261128611	/nfs/dbraw/zinc/12/86/11/261128611.db2.gz	RTLWKEKVJRTNRL-SOFGYWHQSA-N	-1	0	288.322	3.261	20	30		CGEDRM
N#CC1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1	ZINC000175209617	261598741	/nfs/dbraw/zinc/59/87/41/261598741.db2.gz	XGOQGDLTPUZCOF-UHFFFAOYSA-N	-1	0	299.157	3.075	20	30		CGEDRM
COc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000106353497	261835038	/nfs/dbraw/zinc/83/50/38/261835038.db2.gz	CUOFFDOIQFMNGC-QMMMGPOBSA-N	-1	0	278.358	3.012	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H](C2CC2)C(F)(F)F)c1	ZINC000287356855	263101766	/nfs/dbraw/zinc/10/17/66/263101766.db2.gz	XXXCSXIYSVRRGM-MTTUFYGSSA-N	-1	0	288.225	3.060	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000192893998	264594706	/nfs/dbraw/zinc/59/47/06/264594706.db2.gz	SYXCUDHJRBFYLW-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
CC(C=C(C)c1nc(C)c(C#N)c(=O)[n-]1)=Cc1ccccc1	ZINC000193611650	270079231	/nfs/dbraw/zinc/07/92/31/270079231.db2.gz	RGGJFERXTUHWHE-NBGAZXPKSA-N	-1	0	291.354	3.457	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361543899	266843147	/nfs/dbraw/zinc/84/31/47/266843147.db2.gz	QVZWYCLAJBWJIE-ZDUSSCGKSA-N	-1	0	277.283	3.021	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/c1ccncc1C#N	ZINC000556779251	289407014	/nfs/dbraw/zinc/40/70/14/289407014.db2.gz	RHGPNPHXFAYFLH-ONEGZZNKSA-N	-1	0	278.311	3.439	20	30		CGEDRM
C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000339068128	289980900	/nfs/dbraw/zinc/98/09/00/289980900.db2.gz	ONTPTBCPHXHCQM-NSHDSACASA-N	-1	0	297.314	3.023	20	30		CGEDRM
Cc1cc2cc(C([O-])=C(C#N)c3ccncn3)oc2cc1C	ZINC000526107517	328738149	/nfs/dbraw/zinc/73/81/49/328738149.db2.gz	QAWSFZOVGLSBDE-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
COc1csc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000177606672	329187963	/nfs/dbraw/zinc/18/79/63/329187963.db2.gz	NUYYDCPCOYWYPZ-SNVBAGLBSA-N	-1	0	298.323	3.388	20	30		CGEDRM
C=CCCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263352927	330052916	/nfs/dbraw/zinc/05/29/16/330052916.db2.gz	IGFNQQHSGYDCAB-AWEZNQCLSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457317107	331218906	/nfs/dbraw/zinc/21/89/06/331218906.db2.gz	QVQRVDXKCJBIPI-UHFFFAOYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
C=CCCCCCOc1ccc(-c2n[n-]c(=N)o2)cc1	ZINC000461053986	331310921	/nfs/dbraw/zinc/31/09/21/331310921.db2.gz	RIEMVJOEQPIFOX-UHFFFAOYSA-N	-1	0	273.336	3.274	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000185022200	333134587	/nfs/dbraw/zinc/13/45/87/333134587.db2.gz	KQMHRBZKTNXNGD-QMMMGPOBSA-N	-1	0	298.726	3.495	20	30		CGEDRM
CC(C)(C)c1[n-]n(CC2CCC2)c(=O)c1CCC#N	ZINC000153458529	334604929	/nfs/dbraw/zinc/60/49/29/334604929.db2.gz	NPGKHKVZISSEAM-UHFFFAOYSA-N	-1	0	261.369	3.142	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)c1cc(C(=O)[O-])co1	ZINC000183790531	518761147	/nfs/dbraw/zinc/76/11/47/518761147.db2.gz	HABCBJNDLITZHT-UHFFFAOYSA-N	-1	0	291.347	3.186	20	30		CGEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1Cl	ZINC000225222600	519196491	/nfs/dbraw/zinc/19/64/91/519196491.db2.gz	KVBAJBFHDIIRBY-UHFFFAOYSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CCC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163844726	521179869	/nfs/dbraw/zinc/17/98/69/521179869.db2.gz	MCJVQRMLNSTKHP-NSHDSACASA-N	-1	0	286.253	3.242	20	30		CGEDRM
Cc1cccc2c1C/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2=O	ZINC000729151660	571879665	/nfs/dbraw/zinc/87/96/65/571879665.db2.gz	UZKUVWORYSGERL-GHXNOFRVSA-N	-1	0	295.294	3.431	20	30		CGEDRM
C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000737692996	571924672	/nfs/dbraw/zinc/92/46/72/571924672.db2.gz	BYIHHWRNMOVDIR-NSHDSACASA-N	-1	0	282.299	3.236	20	30		CGEDRM
CCOc1ccc(C=Nc2cccc(CC(=O)[O-])c2)c(O)c1	ZINC000737886635	572362402	/nfs/dbraw/zinc/36/24/02/572362402.db2.gz	CORKAPJKASHHGZ-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
N#Cc1cc(F)ccc1COc1ccc(NC(=O)[O-])cc1	ZINC000738426339	572375546	/nfs/dbraw/zinc/37/55/46/572375546.db2.gz	YNGXNVHFJSKUKS-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
Cc1ccc(C=NOCc2ccc(F)cc2C(=O)[O-])cc1	ZINC000738583952	572380787	/nfs/dbraw/zinc/38/07/87/572380787.db2.gz	ULXWSWQKEHYCRS-UHFFFAOYSA-N	-1	0	287.290	3.383	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccoc1C(=O)[O-])C2	ZINC000738665242	572385891	/nfs/dbraw/zinc/38/58/91/572385891.db2.gz	JVQYUVIBDYABOL-WQLSENKSSA-N	-1	0	268.268	3.109	20	30		CGEDRM
N#Cc1ccc([C@@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000739111079	572402875	/nfs/dbraw/zinc/40/28/75/572402875.db2.gz	UOTFRQYAUWMXIH-CQSZACIVSA-N	-1	0	286.718	3.449	20	30		CGEDRM
N#Cc1ccc(SCc2cc(C(=O)[O-])co2)c(F)c1	ZINC000739131642	572402955	/nfs/dbraw/zinc/40/29/55/572402955.db2.gz	DJAJKATWIJTZLB-UHFFFAOYSA-N	-1	0	277.276	3.281	20	30		CGEDRM
N#Cc1ccc(COC(=O)c2cccc(NC(=O)[O-])c2)cc1	ZINC000739117143	572403001	/nfs/dbraw/zinc/40/30/01/572403001.db2.gz	AGYSEPJJCISLMG-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC(N(C)C(=O)[O-])CC1	ZINC000737816958	572425190	/nfs/dbraw/zinc/42/51/90/572425190.db2.gz	ZVHQTZYOFKLTQK-UHFFFAOYSA-N	-1	0	298.427	3.338	20	30		CGEDRM
Cc1ccc(C)c(N=NC2CCC[C@H]2CNC(=O)[O-])c1	ZINC000740115748	572433205	/nfs/dbraw/zinc/43/32/05/572433205.db2.gz	LYVKRWGRBWAOIR-LBPRGKRZSA-N	-1	0	275.352	3.139	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCc3ccccc32)c1	ZINC000731938545	572439210	/nfs/dbraw/zinc/43/92/10/572439210.db2.gz	UJTYKPZWEOPIOJ-VBEHJTROSA-N	-1	0	296.326	3.449	20	30		CGEDRM
N#CCc1cccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000740310412	572439950	/nfs/dbraw/zinc/43/99/50/572439950.db2.gz	JXPNHKRHCGVUHT-UHFFFAOYSA-N	-1	0	295.298	3.095	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2c2ccccc2)n1	ZINC000732526972	572470786	/nfs/dbraw/zinc/47/07/86/572470786.db2.gz	BNJXLRYMJLMNIQ-CYBMUJFWSA-N	-1	0	282.347	3.226	20	30		CGEDRM
CC(C)[C@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000747750485	572604942	/nfs/dbraw/zinc/60/49/42/572604942.db2.gz	APWJKPAOFNXQDF-MRVPVSSYSA-N	-1	0	268.748	3.060	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1	ZINC000736091336	572768016	/nfs/dbraw/zinc/76/80/16/572768016.db2.gz	PQQLMBXNIMFMGX-UHFFFAOYSA-N	-1	0	280.283	3.010	20	30		CGEDRM
C#Cc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000736095331	572768215	/nfs/dbraw/zinc/76/82/15/572768215.db2.gz	QKBIQGGQUWICIV-UHFFFAOYSA-N	-1	0	296.351	3.175	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccc(F)cc2C(=O)[O-])c1	ZINC000736091503	572768395	/nfs/dbraw/zinc/76/83/95/572768395.db2.gz	XEJYWTSJPZWAHN-UHFFFAOYSA-N	-1	0	283.302	3.142	20	30		CGEDRM
O=C([O-])CCOc1cccc(C=NOCc2ccccc2)c1	ZINC000746683454	572891492	/nfs/dbraw/zinc/89/14/92/572891492.db2.gz	WRZZGTFBJOYFGI-UHFFFAOYSA-N	-1	0	299.326	3.091	20	30		CGEDRM
N#Cc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1	ZINC000748441722	572977115	/nfs/dbraw/zinc/97/71/15/572977115.db2.gz	TYEXQDIMLCWNIL-KQQUZDAGSA-N	-1	0	282.324	3.283	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2ccc(F)cc2)cc1F	ZINC000749853705	573045442	/nfs/dbraw/zinc/04/54/42/573045442.db2.gz	UKDINHPXSDXFGY-UHFFFAOYSA-N	-1	0	266.222	3.256	20	30		CGEDRM
O=[N+]([O-])c1ccc(NN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000749853105	573047135	/nfs/dbraw/zinc/04/71/35/573047135.db2.gz	CNZGWNVRHIOOSP-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
Cc1ncsc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000749892952	573052607	/nfs/dbraw/zinc/05/26/07/573052607.db2.gz	VVRIEUPJEHPBMF-IHWYPQMZSA-N	-1	0	281.283	3.331	20	30		CGEDRM
COCCCON=Cc1cc(Cl)c([O-])cc1Cl	ZINC000795043629	629626867	/nfs/dbraw/zinc/62/68/67/629626867.db2.gz	FOBKDAJIQNJFFA-UHFFFAOYSA-N	-1	0	278.135	3.086	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000163143693	600284752	/nfs/dbraw/zinc/28/47/52/600284752.db2.gz	ZZQMPLBZWSKRKX-MRVPVSSYSA-N	-1	0	282.727	3.124	20	30		CGEDRM
N#Cc1cc(F)ccc1NCCc1ccc(C(=O)[O-])cc1	ZINC000111025817	600809305	/nfs/dbraw/zinc/80/93/05/600809305.db2.gz	PKNVMKBTMYCNQN-UHFFFAOYSA-N	-1	0	284.290	3.050	20	30		CGEDRM
C=CCCCC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-]	ZINC000825664796	601127009	/nfs/dbraw/zinc/12/70/09/601127009.db2.gz	LTULHMSCXICSBW-CQSZACIVSA-N	-1	0	275.348	3.239	20	30		CGEDRM
N#Cc1cc(F)ccc1COc1ccccc1NC(=O)[O-]	ZINC000833069885	601229644	/nfs/dbraw/zinc/22/96/44/601229644.db2.gz	YWIAVBIZEXESFD-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
CCCCC[C@H](/N=C\c1cccc(OCC)c1O)C(=O)[O-]	ZINC000829311399	601365433	/nfs/dbraw/zinc/36/54/33/601365433.db2.gz	FHLCYPJLWYFGLT-MFVBVHDHSA-N	-1	0	293.363	3.243	20	30		CGEDRM
CCCCC[C@@H](Nc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000829349533	601383443	/nfs/dbraw/zinc/38/34/43/601383443.db2.gz	YKOAFAUDYGNBLF-SNVBAGLBSA-N	-1	0	281.743	3.052	20	30		CGEDRM
Cc1cc(CSc2ccccc2C#N)oc1C(=O)[O-]	ZINC000832885117	601408548	/nfs/dbraw/zinc/40/85/48/601408548.db2.gz	IPMUBNZVVKCFIS-UHFFFAOYSA-N	-1	0	273.313	3.450	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000825671336	601437760	/nfs/dbraw/zinc/43/77/60/601437760.db2.gz	MSSQYLSEFSWAHB-UHFFFAOYSA-N	-1	0	276.336	3.091	20	30		CGEDRM
CCOc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830060090	601791215	/nfs/dbraw/zinc/79/12/15/601791215.db2.gz	ZHEYEHKVNIUUFU-FPYGCLRLSA-N	-1	0	285.299	3.008	20	30		CGEDRM
CSc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000832774520	601792111	/nfs/dbraw/zinc/79/21/11/601792111.db2.gz	NGRYHMJCXGTOGR-FARCUNLSSA-N	-1	0	287.340	3.331	20	30		CGEDRM
Cc1ccc2c(c1)OCC/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832961124	601952159	/nfs/dbraw/zinc/95/21/59/601952159.db2.gz	VLRLIYUGOGEGGU-GHXNOFRVSA-N	-1	0	297.310	3.070	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1ccc(C(=O)[O-])cc1OC	ZINC000825664924	602078158	/nfs/dbraw/zinc/07/81/58/602078158.db2.gz	QEHHZPPSUJSKGU-UHFFFAOYSA-N	-1	0	290.315	3.067	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1cc(OC)ccc1C(=O)[O-]	ZINC000825664662	602179671	/nfs/dbraw/zinc/17/96/71/602179671.db2.gz	HTUCAIWVPYKIGD-UHFFFAOYSA-N	-1	0	290.315	3.067	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000825660146	602291064	/nfs/dbraw/zinc/29/10/64/602291064.db2.gz	WKBXMEYLDOJHKR-UHFFFAOYSA-N	-1	0	273.332	3.116	20	30		CGEDRM
C=C(C)CCOC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823475100	603518259	/nfs/dbraw/zinc/51/82/59/603518259.db2.gz	VQLJLSSWGKDUGZ-JSGCOSHPSA-N	-1	0	291.347	3.141	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2cccc(Cl)c2)CC1	ZINC000831869121	603856360	/nfs/dbraw/zinc/85/63/60/603856360.db2.gz	JBFCWMKCCKKDOC-UHFFFAOYSA-N	-1	0	281.743	3.128	20	30		CGEDRM
C#CC[C@@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccccc1	ZINC000833362810	604462890	/nfs/dbraw/zinc/46/28/90/604462890.db2.gz	LXBSEBGCYBYULR-OAHLLOKOSA-N	-1	0	280.327	3.265	20	30		CGEDRM
CC(=NO[C@H]1CCCCO1)[C@H](C)CCCCC(=O)[O-]	ZINC000814887665	604548138	/nfs/dbraw/zinc/54/81/38/604548138.db2.gz	QGZXVTXKCLOGJZ-RISCZKNCSA-N	-1	0	271.357	3.187	20	30		CGEDRM
C=CCCCC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825671012	604595010	/nfs/dbraw/zinc/59/50/10/604595010.db2.gz	AQNYPQPUHSWXCT-JTQLQIEISA-N	-1	0	266.293	3.247	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C)c(C(=O)[O-])s1)OCC	ZINC000833366788	604606657	/nfs/dbraw/zinc/60/66/57/604606657.db2.gz	DDGAFFGNDURNKC-SNVBAGLBSA-N	-1	0	297.376	3.065	20	30		CGEDRM
O=C(C=Cc1cnn(C2CCC2)c1)c1sccc1[O-]	ZINC000899366845	620675175	/nfs/dbraw/zinc/67/51/75/620675175.db2.gz	PYZGMCLZWZGUQS-PLNGDYQASA-N	-1	0	274.345	3.271	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000833079093	604627949	/nfs/dbraw/zinc/62/79/49/604627949.db2.gz	SUAVCCFVQZQRFW-WAYWQWQTSA-N	-1	0	283.308	3.214	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1cc(C)[nH]c1C(=O)[O-])c1ccccc1	ZINC000833370602	604740351	/nfs/dbraw/zinc/74/03/51/604740351.db2.gz	FFLNUKVDOGODBY-GFCCVEGCSA-N	-1	0	298.342	3.320	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1	ZINC000833370615	604774786	/nfs/dbraw/zinc/77/47/86/604774786.db2.gz	FLJBIINHOBNXFW-GFCCVEGCSA-N	-1	0	298.342	3.022	20	30		CGEDRM
C[C@H]1C/C(=C/c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21	ZINC000833588171	605052229	/nfs/dbraw/zinc/05/22/29/605052229.db2.gz	ONOIEPWXQOKVJS-RGAIUGGKSA-N	-1	0	281.311	3.486	20	30		CGEDRM
C=CCCCSCCOc1ccccc1C(=O)[O-]	ZINC000833373779	605158697	/nfs/dbraw/zinc/15/86/97/605158697.db2.gz	CJNRALLWHRYOLR-UHFFFAOYSA-N	-1	0	266.362	3.463	20	30		CGEDRM
CC(C)(C#N)CCN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000148095242	605191591	/nfs/dbraw/zinc/19/15/91/605191591.db2.gz	VGHQOSZFLFONIP-GFCCVEGCSA-N	-1	0	272.348	3.005	20	30		CGEDRM
N#Cc1csc(CNc2ccc(NC(=O)[O-])cc2)c1	ZINC000831162010	605243195	/nfs/dbraw/zinc/24/31/95/605243195.db2.gz	TXALKAHGVYSBRP-UHFFFAOYSA-N	-1	0	273.317	3.322	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000398189872	605251628	/nfs/dbraw/zinc/25/16/28/605251628.db2.gz	AHHPTGPWLGVHKX-LLVKDONJSA-N	-1	0	276.336	3.251	20	30		CGEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ccc(Cl)nc1	ZINC000824759043	605465031	/nfs/dbraw/zinc/46/50/31/605465031.db2.gz	GXINTSFKUJZSRW-LLVKDONJSA-N	-1	0	296.758	3.055	20	30		CGEDRM
N#CCc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1	ZINC000833968116	605481951	/nfs/dbraw/zinc/48/19/51/605481951.db2.gz	PINXCHRFZYBRFZ-UHFFFAOYSA-N	-1	0	296.282	3.062	20	30		CGEDRM
N#Cc1c(Cl)cccc1SC[C@H]1CCN(C(=O)[O-])C1	ZINC000833970469	605992034	/nfs/dbraw/zinc/99/20/34/605992034.db2.gz	UWRJSLRMQZJJNN-VIFPVBQESA-N	-1	0	296.779	3.304	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cc(Cl)cc(Cl)c1	ZINC000049417901	617608013	/nfs/dbraw/zinc/60/80/13/617608013.db2.gz	QZCDVGCWTSBWEM-UHFFFAOYSA-N	-1	0	296.175	3.036	20	30		CGEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501599	617611262	/nfs/dbraw/zinc/61/12/62/617611262.db2.gz	BVJILTKPSRFUDL-UHFFFAOYSA-N	-1	0	293.388	3.306	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519707	617953129	/nfs/dbraw/zinc/95/31/29/617953129.db2.gz	KMOKCWULAVOBJX-UHFFFAOYSA-N	-1	0	295.404	3.257	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)c1	ZINC000900356007	620782367	/nfs/dbraw/zinc/78/23/67/620782367.db2.gz	YJKMUABTYCNOJG-LLVKDONJSA-N	-1	0	288.347	3.189	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1CC=CC1	ZINC000158648156	618646630	/nfs/dbraw/zinc/64/66/30/618646630.db2.gz	RWGWVKCCCXGIEV-AWEZNQCLSA-N	-1	0	292.338	3.334	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)[C@H]1C[C@@H]1C	ZINC000841632418	618715909	/nfs/dbraw/zinc/71/59/09/618715909.db2.gz	NYTIMZPVKOUALA-ONGXEEELSA-N	-1	0	276.336	3.227	20	30		CGEDRM
CCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176832777	618744057	/nfs/dbraw/zinc/74/40/57/618744057.db2.gz	WONRXVXJAITYHL-UHFFFAOYSA-N	-1	0	266.300	3.079	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c([O-])c1	ZINC000255775745	618790794	/nfs/dbraw/zinc/79/07/94/618790794.db2.gz	RBFWZVXFVXXNJX-YVMONPNESA-N	-1	0	299.282	3.205	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(O)cc1[O-]	ZINC000255896380	618866416	/nfs/dbraw/zinc/86/64/16/618866416.db2.gz	YINWASWOZJKTPM-DAXSKMNVSA-N	-1	0	286.331	3.015	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1C	ZINC000146767786	618924491	/nfs/dbraw/zinc/92/44/91/618924491.db2.gz	FGKVWZVUXYHUQS-VMPITWQZSA-N	-1	0	284.311	3.311	20	30		CGEDRM
Cc1cnc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000175894697	618970854	/nfs/dbraw/zinc/97/08/54/618970854.db2.gz	ZAVHZNKPSWEGSH-CULDGANSSA-N	-1	0	291.332	3.245	20	30		CGEDRM
C=C(C)COc1cccc(NC(=O)CC(C)(C)C(=O)[O-])c1	ZINC000236692621	619075323	/nfs/dbraw/zinc/07/53/23/619075323.db2.gz	PFEHAJPWJVEEOV-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1	ZINC000006221094	619256266	/nfs/dbraw/zinc/25/62/66/619256266.db2.gz	XLZLZCWHIZWSQF-XCVCLJGOSA-N	-1	0	270.259	3.420	20	30		CGEDRM
CCC(CC)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814851776	619425942	/nfs/dbraw/zinc/42/59/42/619425942.db2.gz	UJNAUNSGTSSUDE-ZYHUDNBSSA-N	-1	0	268.401	3.278	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC)cc1	ZINC000048518791	619503161	/nfs/dbraw/zinc/50/31/61/619503161.db2.gz	WQRJZPXXOLPFSX-LLVKDONJSA-N	-1	0	283.393	3.330	20	30		CGEDRM
C=CCC(C)(C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000909458140	619746281	/nfs/dbraw/zinc/74/62/81/619746281.db2.gz	MBDGJVUODJSLOO-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
CCCCCCCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000104149000	620546564	/nfs/dbraw/zinc/54/65/64/620546564.db2.gz	BGNVHQUYTUYXRS-ZIAGYGMSSA-N	-1	0	281.396	3.130	20	30		CGEDRM
Cc1c(N=NC2CC3(C2)CO[C@@H](C)C3)cccc1C(=O)[O-]	ZINC000901261875	620849270	/nfs/dbraw/zinc/84/92/70/620849270.db2.gz	QAEWEOOWMXXMMR-VQVVDHBBSA-N	-1	0	288.347	3.050	20	30		CGEDRM
CS[C@@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000901261727	620849516	/nfs/dbraw/zinc/84/95/16/620849516.db2.gz	MZLLHUSIHKBRJB-CQSZACIVSA-N	-1	0	292.404	3.387	20	30		CGEDRM
C=CCCC[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000901426538	620883972	/nfs/dbraw/zinc/88/39/72/620883972.db2.gz	LADIKCIWKGPUTF-DZGCQCFKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000905056821	622034558	/nfs/dbraw/zinc/03/45/58/622034558.db2.gz	YBKQOIYGWIDIKK-GFCCVEGCSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1C	ZINC000907611235	622302408	/nfs/dbraw/zinc/30/24/08/622302408.db2.gz	UAXATUNLBHINBC-DZGCQCFKSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21	ZINC000907705024	622308212	/nfs/dbraw/zinc/30/82/12/622308212.db2.gz	SSWPJSQCPCFOLW-APIJFGDWSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CC1(CC(=O)N[C@](C)(CC(=O)[O-])C2CC2)CCCCC1	ZINC000907749110	622310371	/nfs/dbraw/zinc/31/03/71/622310371.db2.gz	XNKUQPKEISDDFL-MRXNPFEDSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=C1CCC(C(=O)N[C@H](CC(=O)[O-])c2cccs2)CC1	ZINC000908638281	622360853	/nfs/dbraw/zinc/36/08/53/622360853.db2.gz	NRUYEDFJAANQAT-GFCCVEGCSA-N	-1	0	293.388	3.127	20	30		CGEDRM
C=C1CCC(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000909133559	622395122	/nfs/dbraw/zinc/39/51/22/622395122.db2.gz	IFTSLDBHRXYKHT-UHFFFAOYSA-N	-1	0	287.359	3.090	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000911386463	622531241	/nfs/dbraw/zinc/53/12/41/622531241.db2.gz	FITRWTXNJKFVOZ-UHFFFAOYSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C[C@H]1CC[C@@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000150951380	622706915	/nfs/dbraw/zinc/70/69/15/622706915.db2.gz	OCWKVLBUMIVFLX-WDEREUQCSA-N	-1	0	258.321	3.029	20	30		CGEDRM
Cc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1[N+](=O)[O-]	ZINC000156648591	622831152	/nfs/dbraw/zinc/83/11/52/622831152.db2.gz	KDDNDEUFYOZQQL-GQCTYLIASA-N	-1	0	299.282	3.211	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1	ZINC000225174260	622898459	/nfs/dbraw/zinc/89/84/59/622898459.db2.gz	CQYMFXFNDNKENF-FPLPWBNLSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000111685595	623696250	/nfs/dbraw/zinc/69/62/50/623696250.db2.gz	VRKUYQGTKRVJDZ-XFSBKJJWSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C[C@@H]1CCC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000914703471	623848020	/nfs/dbraw/zinc/84/80/20/623848020.db2.gz	RTWGCBRGPCZCGB-KYMBZKNXSA-N	-1	0	262.309	3.298	20	30		CGEDRM
O=C([O-])c1ccc(CN=Nc2nccc3sccc32)cc1	ZINC000915978884	624087907	/nfs/dbraw/zinc/08/79/07/624087907.db2.gz	GJSZZJSPQPEUBZ-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCCCCC2)c1	ZINC000920943182	624554248	/nfs/dbraw/zinc/55/42/48/624554248.db2.gz	QYGMIHXPICRTIN-GDNBJRDFSA-N	-1	0	262.309	3.442	20	30		CGEDRM
C=CC[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000073769444	626063262	/nfs/dbraw/zinc/06/32/62/626063262.db2.gz	NGWKHJPALYEUFW-QMMMGPOBSA-N	-1	0	262.334	3.185	20	30		CGEDRM
C=C1CC(C)(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)C1	ZINC000923173039	626134483	/nfs/dbraw/zinc/13/44/83/626134483.db2.gz	NDXPYUNFJKKQRH-CQSZACIVSA-N	-1	0	293.407	3.130	20	30		CGEDRM
Cc1ccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000751126634	626376763	/nfs/dbraw/zinc/37/67/63/626376763.db2.gz	ATDOIJMOBLABES-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cccc3[nH]ccc32)cc1	ZINC000755454405	626623847	/nfs/dbraw/zinc/62/38/47/626623847.db2.gz	FQVBANBYQJWJID-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
N#CCOc1cccc(/C=C/C(=O)c2ccc(F)cc2[O-])c1	ZINC000757476227	626782375	/nfs/dbraw/zinc/78/23/75/626782375.db2.gz	OTMSRJRUYNVARQ-QPJJXVBHSA-N	-1	0	297.285	3.330	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCc3cc(F)ccc32)nc1	ZINC000763371717	627154255	/nfs/dbraw/zinc/15/42/55/627154255.db2.gz	JLJZJTAMEWCBMJ-UHFFFAOYSA-N	-1	0	299.305	3.071	20	30		CGEDRM
CC(C)[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372128	627154783	/nfs/dbraw/zinc/15/47/83/627154783.db2.gz	UIJRRMYXALZEOW-NSHDSACASA-N	-1	0	261.325	3.004	20	30		CGEDRM
CN(C)c1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1	ZINC000765825019	627274098	/nfs/dbraw/zinc/27/40/98/627274098.db2.gz	NFPXWPAPQPKXHD-WDZFZDKYSA-N	-1	0	295.338	3.347	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cc(C)oc1C	ZINC000767900639	627442127	/nfs/dbraw/zinc/44/21/27/627442127.db2.gz	JQVXJGLRUCFGKT-UHFFFAOYSA-N	-1	0	288.303	3.049	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2c2ccccc2)nc1	ZINC000769798404	627578947	/nfs/dbraw/zinc/57/89/47/627578947.db2.gz	AYPGVNNWHVJNEZ-CYBMUJFWSA-N	-1	0	281.315	3.125	20	30		CGEDRM
CC1(C)CCCC[C@@H]1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000773126963	627860372	/nfs/dbraw/zinc/86/03/72/627860372.db2.gz	XENWNWDZIJVDEO-AWEZNQCLSA-N	-1	0	291.351	3.193	20	30		CGEDRM
CCOCCON=Cc1cc(Cl)c([O-])cc1Cl	ZINC000774435282	627989512	/nfs/dbraw/zinc/98/95/12/627989512.db2.gz	GHVHADZNYPQPSQ-UHFFFAOYSA-N	-1	0	278.135	3.086	20	30		CGEDRM
N#C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C1CCCCC1	ZINC000776388050	628202856	/nfs/dbraw/zinc/20/28/56/628202856.db2.gz	ZHKDHYUROCIANQ-CYBMUJFWSA-N	-1	0	295.285	3.300	20	30		CGEDRM
CC1(C)C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)O1	ZINC000777874044	628306008	/nfs/dbraw/zinc/30/60/08/628306008.db2.gz	YJEARRPKBZMIHY-WPBJZHHJSA-N	-1	0	292.335	3.065	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\CCc3ccccc3C2=O)ccc1O	ZINC000779358822	628409561	/nfs/dbraw/zinc/40/95/61/628409561.db2.gz	WKZPVQWKEFDAEU-UKTHLTGXSA-N	-1	0	294.306	3.303	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H]2CCC=CO2)c1[O-]	ZINC000780150907	628457831	/nfs/dbraw/zinc/45/78/31/628457831.db2.gz	ZKINHEGZVWNRJX-URXIRXLPSA-N	-1	0	296.710	3.065	20	30		CGEDRM
CC(C)(C)CCNN=Cc1cc(F)c([O-])c(F)c1	ZINC000782903508	628666467	/nfs/dbraw/zinc/66/64/67/628666467.db2.gz	WQEHKXPALXMGOV-UHFFFAOYSA-N	-1	0	256.296	3.030	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2ccc([O-])c(F)c2)s1	ZINC000783706467	628741958	/nfs/dbraw/zinc/74/19/58/628741958.db2.gz	HGOKYNNTNWQBQS-AATRIKPKSA-N	-1	0	277.320	3.446	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccccc2)c(Cl)c1	ZINC000783771109	628746494	/nfs/dbraw/zinc/74/64/94/628746494.db2.gz	CEGCCTLSXVYGOG-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
O=C(OCC#Cc1ccccc1)c1ccc([O-])c(Cl)c1	ZINC000791267096	629263534	/nfs/dbraw/zinc/26/35/34/629263534.db2.gz	SSPRVBQSLVOBDL-UHFFFAOYSA-N	-1	0	286.714	3.254	20	30		CGEDRM
CC[C@@H](NN=C(C)c1cc2ccccc2s1)C(=O)[O-]	ZINC000793058377	629406282	/nfs/dbraw/zinc/40/62/82/629406282.db2.gz	UFHPKYQPOIONQS-LLVKDONJSA-N	-1	0	276.361	3.078	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793058365	629406465	/nfs/dbraw/zinc/40/64/65/629406465.db2.gz	TZRQEMWDCYEMLL-AAEUAGOBSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@@H](NN=Cc1cccc(-c2ccccc2C)c1)C(=O)[O-]	ZINC000793071488	629408213	/nfs/dbraw/zinc/40/82/13/629408213.db2.gz	JSCQKPWWOHMTAQ-QGZVFWFLSA-N	-1	0	296.370	3.449	20	30		CGEDRM
Cc1c(N=NC(C)[C@H]2CCCCO2)cccc1C(=O)[O-]	ZINC000863123889	629479657	/nfs/dbraw/zinc/47/96/57/629479657.db2.gz	MJCDHIICHQHWMY-CQSZACIVSA-N	-1	0	276.336	3.050	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1nccc(C2CC2)n1	ZINC000863449131	629573746	/nfs/dbraw/zinc/57/37/46/629573746.db2.gz	UYESLSJDJFVJAT-UHFFFAOYSA-N	-1	0	297.424	3.066	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccncc1	ZINC000794925994	629600705	/nfs/dbraw/zinc/60/07/05/629600705.db2.gz	GSRQHTZTOSFDRN-ONEGZZNKSA-N	-1	0	281.311	3.293	20	30		CGEDRM
N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@H](C3)[C@@H]2C(=O)[O-])s1	ZINC000864608250	629874554	/nfs/dbraw/zinc/87/45/54/629874554.db2.gz	GGVJFCLBRYSMMR-CFVMTHIKSA-N	-1	0	281.336	3.257	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)oc1C	ZINC000799895494	630240862	/nfs/dbraw/zinc/24/08/62/630240862.db2.gz	CBUZWMCHFGHJFK-GQCTYLIASA-N	-1	0	287.271	3.406	20	30		CGEDRM
Cc1[nH]c(C=NNc2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000800804816	630300199	/nfs/dbraw/zinc/30/01/99/630300199.db2.gz	DQRTWDPESSPMPP-UHFFFAOYSA-N	-1	0	277.711	3.121	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCCF)nc1	ZINC000800814939	630301803	/nfs/dbraw/zinc/30/18/03/630301803.db2.gz	FKUUDNXITNQJNM-SNVBAGLBSA-N	-1	0	279.315	3.098	20	30		CGEDRM
CCn1nc(C)c(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1C	ZINC000806558794	630566953	/nfs/dbraw/zinc/56/69/53/630566953.db2.gz	MDEPWSVOXNJAOP-HJWRWDBZSA-N	-1	0	298.342	3.114	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccs2)c1	ZINC000806558830	630566959	/nfs/dbraw/zinc/56/69/59/630566959.db2.gz	NBGGJDLWSLLKQJ-SREVYHEPSA-N	-1	0	258.298	3.342	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccccc2F)c1	ZINC000806558895	630566978	/nfs/dbraw/zinc/56/69/78/630566978.db2.gz	OSVCHQOTVKEPBF-CMDGGOBGSA-N	-1	0	270.259	3.420	20	30		CGEDRM
O=C([O-])[C@@H]1C/C(=C\c2ccc(F)nc2)C(=O)c2ccccc21	ZINC000806559451	630567006	/nfs/dbraw/zinc/56/70/06/630567006.db2.gz	BKXLAJMHEWLFSE-DPQIITEBSA-N	-1	0	297.285	3.059	20	30		CGEDRM
N#Cc1ccc(/C=C2/Cc3c(ccc([O-])c3F)C2=O)s1	ZINC000806575101	630568497	/nfs/dbraw/zinc/56/84/97/630568497.db2.gz	PRKOCNQMDNFYJR-YVMONPNESA-N	-1	0	285.299	3.287	20	30		CGEDRM
O=C([O-])[C@@H]1CCC(=NOC/C=C\Cl)c2ccccc21	ZINC000811669803	631108360	/nfs/dbraw/zinc/10/83/60/631108360.db2.gz	JIPIELBSOTWAKK-PEQRUFIHSA-N	-1	0	279.723	3.122	20	30		CGEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812441542	631260696	/nfs/dbraw/zinc/26/06/96/631260696.db2.gz	BOLVTBJXTPWKAO-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
CCc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812441986	631261848	/nfs/dbraw/zinc/26/18/48/631261848.db2.gz	LCMZFPAOLCXJCD-UHFFFAOYSA-N	-1	0	268.316	3.393	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](C)Sc1ccccc1Cl	ZINC000837044408	634847194	/nfs/dbraw/zinc/84/71/94/634847194.db2.gz	MEEAMSYKMSWESU-VIFPVBQESA-N	-1	0	271.769	3.054	20	30		CGEDRM
CCCC(=NNc1cccc(C(=O)[O-])c1)c1ccccn1	ZINC000814687802	631624220	/nfs/dbraw/zinc/62/42/20/631624220.db2.gz	UQIFHQUTIDTFSA-UHFFFAOYSA-N	-1	0	283.331	3.396	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cccc3cc[nH]c32)c1	ZINC000814687927	631624369	/nfs/dbraw/zinc/62/43/69/631624369.db2.gz	XZEFFCDAVJDOBE-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
COC1(CC(C)N=Nc2ccccc2C(=O)[O-])CCC1	ZINC000814768360	631635610	/nfs/dbraw/zinc/63/56/10/631635610.db2.gz	STCQWIRGMGJKOH-UHFFFAOYSA-N	-1	0	276.336	3.132	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCCCc1ccccc1	ZINC000814837685	631653090	/nfs/dbraw/zinc/65/30/90/631653090.db2.gz	HDAWSIXBYJWDPG-HIFRSBDPSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(Cl)cc1	ZINC000814875583	631661896	/nfs/dbraw/zinc/66/18/96/631661896.db2.gz	NMHKCCXGAARFPW-JQWIXIFHSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CC(=NOCC(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814884463	631664908	/nfs/dbraw/zinc/66/49/08/631664908.db2.gz	YEHWYQXRIYWWPZ-NEPJUHHUSA-N	-1	0	255.358	3.172	20	30		CGEDRM
C[C@@H]1C(=NO[C@H]2CCCCO2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814887927	631666960	/nfs/dbraw/zinc/66/69/60/631666960.db2.gz	SZJYYTHINLRGCA-MDZLAQPJSA-N	-1	0	283.368	3.043	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(C2CC2)c1	ZINC000814890407	631667004	/nfs/dbraw/zinc/66/70/04/631667004.db2.gz	NBFSGZYQJJAPLC-UHFFFAOYSA-N	-1	0	295.342	3.493	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cc(Cl)ccn1	ZINC000814897769	631669501	/nfs/dbraw/zinc/66/95/01/631669501.db2.gz	DMCLAXXDFGSBGT-UHFFFAOYSA-N	-1	0	281.743	3.168	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1cc(C(=O)[O-])cs1	ZINC000814910569	631677969	/nfs/dbraw/zinc/67/79/69/631677969.db2.gz	WZNPRTWOGWXNST-UHFFFAOYSA-N	-1	0	281.255	3.139	20	30		CGEDRM
C[C@@H]1C(=NN[C@H]2CCCC2(C)C)CC[C@@H]1CC(=O)[O-]	ZINC000814917516	631681326	/nfs/dbraw/zinc/68/13/26/631681326.db2.gz	MNVXPPPMKHBXHZ-LOWVWBTDSA-N	-1	0	266.385	3.032	20	30		CGEDRM
CC(N=Nc1cccc(Cl)n1)c1cc(C(=O)[O-])cs1	ZINC000814939042	631692669	/nfs/dbraw/zinc/69/26/69/631692669.db2.gz	BZOXMVFLEFMVJT-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
CCOc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814985141	631702402	/nfs/dbraw/zinc/70/24/02/631702402.db2.gz	UGBOGTJJMVPRDI-NWDGAFQWSA-N	-1	0	290.363	3.374	20	30		CGEDRM
O=C([O-])c1cc(NN=C2CCn3cccc32)ccc1Cl	ZINC000818201456	632297222	/nfs/dbraw/zinc/29/72/22/632297222.db2.gz	WZAYUYAOCSRGKH-UHFFFAOYSA-N	-1	0	289.722	3.060	20	30		CGEDRM
C[C@H](N[C@H]1CCCC1(F)F)c1cccc(C#N)c1[O-]	ZINC000866356181	633097256	/nfs/dbraw/zinc/09/72/56/633097256.db2.gz	JVCLZMTYWCTPIJ-CABZTGNLSA-N	-1	0	266.291	3.102	20	30		CGEDRM
CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000826604627	633421751	/nfs/dbraw/zinc/42/17/51/633421751.db2.gz	QMFCZPPOGPHXOO-VIFPVBQESA-N	-1	0	286.253	3.181	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NCCCCC2CC2)cc1	ZINC000872386799	634128700	/nfs/dbraw/zinc/12/87/00/634128700.db2.gz	CNEYVRKQIIJJDQ-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
FC(F)(F)c1csc(=NNC=C2CC2(F)F)[n-]1	ZINC000834965334	634296254	/nfs/dbraw/zinc/29/62/54/634296254.db2.gz	ZGYVQLCXSYBVOQ-BYPYZUCNSA-N	-1	0	271.214	3.215	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)C1CCC1	ZINC000834967324	634297529	/nfs/dbraw/zinc/29/75/29/634297529.db2.gz	YJZPCYHDNRDJNI-UHFFFAOYSA-N	-1	0	276.336	3.371	20	30		CGEDRM
CCC[C@@H](C)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010227	634314284	/nfs/dbraw/zinc/31/42/84/634314284.db2.gz	UGICJDSYKDIYOE-SECBINFHSA-N	-1	0	252.289	3.358	20	30		CGEDRM
C[C@@H]1CC[C@H](C)CC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835009964	634314287	/nfs/dbraw/zinc/31/42/87/634314287.db2.gz	JKYUBBUTWMHDLH-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCC(CC)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010046	634314654	/nfs/dbraw/zinc/31/46/54/634314654.db2.gz	MJINFEJGCCIXCC-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/CCOc3ccccc3C2=O)c1	ZINC000126425763	635015947	/nfs/dbraw/zinc/01/59/47/635015947.db2.gz	YVRQDTCIFUFJQE-RAXLEYEMSA-N	-1	0	294.306	3.434	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCC2(F)F)c1	ZINC000840709549	635039133	/nfs/dbraw/zinc/03/91/33/635039133.db2.gz	NPYDWEIIRINDEM-NPVNMOQSSA-N	-1	0	284.262	3.155	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CO1	ZINC000841602278	635194878	/nfs/dbraw/zinc/19/48/78/635194878.db2.gz	FUETWLUUKIPVOV-UHFFFAOYSA-N	-1	0	282.727	3.005	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])nc1)[C@H]1CC1(C)C	ZINC000841641907	635206565	/nfs/dbraw/zinc/20/65/65/635206565.db2.gz	YXUSKOPOVJELFM-SNVBAGLBSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CO1	ZINC000843264016	635627573	/nfs/dbraw/zinc/62/75/73/635627573.db2.gz	LWKTYIDOVFNWCL-XNWIUTFNSA-N	-1	0	274.147	3.295	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC2CCC(F)CC2)c1	ZINC000843265077	635628514	/nfs/dbraw/zinc/62/85/14/635628514.db2.gz	UFFPFQVEAVBNKK-SXGWCWSVSA-N	-1	0	280.299	3.248	20	30		CGEDRM
COc1c(O)cccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000210713099	635931245	/nfs/dbraw/zinc/93/12/45/635931245.db2.gz	FEUYBTWYXFTWGU-KTKRTIGZSA-N	-1	0	270.284	3.003	20	30		CGEDRM
C=C(C)CON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000844619424	635943495	/nfs/dbraw/zinc/94/34/95/635943495.db2.gz	DJCFRPSWFCYATD-NEPJUHHUSA-N	-1	0	253.342	3.092	20	30		CGEDRM
CSCCCCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844624094	635945369	/nfs/dbraw/zinc/94/53/69/635945369.db2.gz	UQCWXYQGIZOAJE-UHFFFAOYSA-N	-1	0	266.366	3.234	20	30		CGEDRM
CC[C@H]1C[C@@H](CN=Nc2cccc(C(=O)[O-])c2C)CCO1	ZINC000844625232	635946437	/nfs/dbraw/zinc/94/64/37/635946437.db2.gz	WYBRZMSFHRKADP-STQMWFEESA-N	-1	0	290.363	3.296	20	30		CGEDRM
N#CC(C(=O)[C@@H]1CC12CC2)=C([O-])c1cc2c(s1)CCCC2	ZINC000845834561	636105466	/nfs/dbraw/zinc/10/54/66/636105466.db2.gz	UUYFMXAZJZQGHL-NEPJUHHUSA-N	-1	0	299.395	3.319	20	30		CGEDRM
N#CC(C(=O)[C@@H]1CC12CC2)=C([O-])c1cc2c(s1)CCCC2	ZINC000845834563	636105531	/nfs/dbraw/zinc/10/55/31/636105531.db2.gz	UUYFMXAZJZQGHL-RYUDHWBXSA-N	-1	0	299.395	3.319	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1ccccc1)[C@@H](C)CC	ZINC000846545343	636197937	/nfs/dbraw/zinc/19/79/37/636197937.db2.gz	NNKWKRZIDROTKZ-YDHLFZDLSA-N	-1	0	261.365	3.439	20	30		CGEDRM
CCC(CC)n1nccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000129556533	636299391	/nfs/dbraw/zinc/29/93/91/636299391.db2.gz	NTQOOYZWYSYHCJ-UHFFFAOYSA-N	-1	0	298.346	3.074	20	30		CGEDRM
C#C[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC000848281375	636551259	/nfs/dbraw/zinc/55/12/59/636551259.db2.gz	ZNBSWQBFKGDEPX-SECBINFHSA-N	-1	0	298.169	3.184	20	30		CGEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H]1C[C@@H]1C	ZINC000848413893	636570535	/nfs/dbraw/zinc/57/05/35/636570535.db2.gz	DVDULVGPLYHGQS-GWCFXTLKSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CSC(C)(C)CCN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413760	636570813	/nfs/dbraw/zinc/57/08/13/636570813.db2.gz	DIZOYPOJLVMCLA-UHFFFAOYSA-N	-1	0	280.393	3.243	20	30		CGEDRM
CC(=NNc1ccc(CC(=O)[O-])cc1)c1cc(C)oc1C	ZINC000848415481	636571264	/nfs/dbraw/zinc/57/12/64/636571264.db2.gz	MGRDKAFHEKBQPB-UHFFFAOYSA-N	-1	0	286.331	3.360	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000107821581	636647338	/nfs/dbraw/zinc/64/73/38/636647338.db2.gz	WIZZABAGCPIMHF-CQSZACIVSA-N	-1	0	283.412	3.450	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2C=CCC2)c1[O-]	ZINC000849170915	636764059	/nfs/dbraw/zinc/76/40/59/636764059.db2.gz	WTMJZHYDLRZGHW-FBWGLTFQSA-N	-1	0	266.684	3.091	20	30		CGEDRM
C[C@]1(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F	ZINC000849172499	636764992	/nfs/dbraw/zinc/76/49/92/636764992.db2.gz	SZENFKBQXVVFAI-QFULYMJESA-N	-1	0	284.262	3.155	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C(C)C)c2)C(=O)O1	ZINC000853000523	637728766	/nfs/dbraw/zinc/72/87/66/637728766.db2.gz	CIYRCXMBTDDJQH-ZPUOCTKUSA-N	-1	0	298.338	3.038	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000887325216	637798074	/nfs/dbraw/zinc/79/80/74/637798074.db2.gz	JNOOWEOXRVKVLQ-LLVKDONJSA-N	-1	0	275.348	3.416	20	30		CGEDRM
Cc1c(N=NC[C@@H]2CC2(Cl)Cl)cccc1C(=O)[O-]	ZINC000853370689	637826524	/nfs/dbraw/zinc/82/65/24/637826524.db2.gz	TZGIHFDBTGSPEL-QMMMGPOBSA-N	-1	0	287.146	3.285	20	30		CGEDRM
CC(=NOCC1CCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000853441021	637844958	/nfs/dbraw/zinc/84/49/58/637844958.db2.gz	PXDOEKBXVMBNRA-NSHDSACASA-N	-1	0	255.358	3.460	20	30		CGEDRM
O=C([O-])c1cccc2c1CC(=NOCC1CCC1)CC2	ZINC000853441304	637845007	/nfs/dbraw/zinc/84/50/07/637845007.db2.gz	VIWURCQOOCACGT-UHFFFAOYSA-N	-1	0	273.332	3.046	20	30		CGEDRM
CC[C@H]([NH2+]Cc1nc(C)cs1)c1cccc(C#N)c1[O-]	ZINC000924617216	638376681	/nfs/dbraw/zinc/37/66/81/638376681.db2.gz	YELVYHFERZYNPB-ZDUSSCGKSA-N	-1	0	287.388	3.270	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000039295929	639675933	/nfs/dbraw/zinc/67/59/33/639675933.db2.gz	WMXGJMOACGXMIU-QPJJXVBHSA-N	-1	0	260.314	3.358	20	30		CGEDRM
N#CC(=C([O-])c1ccnc(Cl)c1)c1nc2ccccc2o1	ZINC000041541147	639905537	/nfs/dbraw/zinc/90/55/37/639905537.db2.gz	IJQJNMUYFGOUDW-SNVBAGLBSA-N	-1	0	297.701	3.366	20	30		CGEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407517	640051510	/nfs/dbraw/zinc/05/15/10/640051510.db2.gz	GOGLSACOMVWVQS-UHFFFAOYSA-N	-1	0	277.345	3.141	20	30		CGEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)C(CC)CC)cc1	ZINC000048451641	640054025	/nfs/dbraw/zinc/05/40/25/640054025.db2.gz	XIFUUGIZZDZCDS-UHFFFAOYSA-N	-1	0	299.392	3.167	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000080298424	640464895	/nfs/dbraw/zinc/46/48/95/640464895.db2.gz	XITHFNLFWPMSAD-UHFFFAOYSA-N	-1	0	289.784	3.484	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1C	ZINC000088799925	640623723	/nfs/dbraw/zinc/62/37/23/640623723.db2.gz	CPXAXKMTMILBDD-UHFFFAOYSA-N	-1	0	279.361	3.059	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC(C(C)(C)C)CC2)n1	ZINC000017750088	641030497	/nfs/dbraw/zinc/03/04/97/641030497.db2.gz	KOZKVEPZEHRGNL-UHFFFAOYSA-N	-1	0	276.384	3.083	20	30		CGEDRM
N#Cc1cccc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001250590246	805711487	/nfs/dbraw/zinc/71/14/87/805711487.db2.gz	JWQHDLOWAYGRFZ-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(C)c1	ZINC001211658595	814928112	/nfs/dbraw/zinc/92/81/12/814928112.db2.gz	UBCICUPXBJANTQ-UHFFFAOYSA-N	-1	0	281.315	3.350	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1C#N	ZINC001252536776	806057626	/nfs/dbraw/zinc/05/76/26/806057626.db2.gz	YVHLWWLBLQEKOE-UHFFFAOYSA-N	-1	0	293.175	3.015	20	30		CGEDRM
N#C[C@@H](Nc1ncc(Cl)cc1C(=O)[O-])c1ccccc1	ZINC001161717264	806430084	/nfs/dbraw/zinc/43/00/84/806430084.db2.gz	GZOQCHJXLOBZPP-GFCCVEGCSA-N	-1	0	287.706	3.110	20	30		CGEDRM
N#C[C@@H](Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC001161717107	806430581	/nfs/dbraw/zinc/43/05/81/806430581.db2.gz	BGJHKVDSYMHELU-CQSZACIVSA-N	-1	0	252.273	3.062	20	30		CGEDRM
[O-]/N=C/c1cc(NCC(F)F)cc(C(F)(F)F)c1	ZINC001161815513	806461316	/nfs/dbraw/zinc/46/13/16/806461316.db2.gz	IAERCKGCGMZLSL-HAVNEIBRSA-N	-1	0	268.185	3.191	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)Nc1cc(F)cc(F)c1[O-]	ZINC001162291399	806550005	/nfs/dbraw/zinc/55/00/05/806550005.db2.gz	NEAZZZNINHWEKN-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C[C@@H](C(=O)[N-]C#N)c1cccc(C(=O)c2ccccc2)c1	ZINC000142702164	799045559	/nfs/dbraw/zinc/04/55/59/799045559.db2.gz	SCRZXZUVNZAFMZ-GFCCVEGCSA-N	-1	0	278.311	3.459	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3o2)c1	ZINC000176409826	799097014	/nfs/dbraw/zinc/09/70/14/799097014.db2.gz	XDSCHIWHYFRBTF-UHFFFAOYSA-N	-1	0	296.257	3.401	20	30		CGEDRM
COc1ccsc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000588489136	799700755	/nfs/dbraw/zinc/70/07/55/799700755.db2.gz	XGHWGGGJMRDYTH-DAXSKMNVSA-N	-1	0	288.324	3.351	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000716523557	800173876	/nfs/dbraw/zinc/17/38/76/800173876.db2.gz	ULWHHYGKXFPLBM-GFCCVEGCSA-N	-1	0	275.348	3.168	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)o1	ZINC000809156446	800413633	/nfs/dbraw/zinc/41/36/33/800413633.db2.gz	BPEGXVDCWBCXTI-DAXSKMNVSA-N	-1	0	286.283	3.142	20	30		CGEDRM
CC(C)c1occc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122644343	802878859	/nfs/dbraw/zinc/87/88/59/802878859.db2.gz	QJQLAXJNTKXQOQ-LLVKDONJSA-N	-1	0	272.279	3.427	20	30		CGEDRM
O=c1cccc(-c2cc(C=N[O-])cc(C(F)(F)F)c2)[nH]1	ZINC001243735648	802975035	/nfs/dbraw/zinc/97/50/35/802975035.db2.gz	HEXHYJUJWIVMQV-REZTVBANSA-N	-1	0	282.221	3.281	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(CC#N)cc2)c1	ZINC001244177430	803226946	/nfs/dbraw/zinc/22/69/46/803226946.db2.gz	SKZNNVZJAGYCQI-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2ccc(Cl)cc2[O-])n1	ZINC001244468785	803384058	/nfs/dbraw/zinc/38/40/58/803384058.db2.gz	WERJKVNQHZUNBD-UHFFFAOYSA-N	-1	0	291.763	3.405	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(Cl)cc3[O-])ccc2[nH]1	ZINC001244467831	803384478	/nfs/dbraw/zinc/38/44/78/803384478.db2.gz	ZMWVTHGCMFVGNR-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
Cc1cnc(-c2cc(F)c([O-])c(Cl)c2)c(C#N)c1	ZINC001244500085	803405864	/nfs/dbraw/zinc/40/58/64/803405864.db2.gz	IQMVFJIKZADMIL-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)cn1	ZINC001244613748	803465093	/nfs/dbraw/zinc/46/50/93/803465093.db2.gz	RTYXIPAGULWDKG-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#CCc1ccncc1-c1ccc(Cl)c([O-])c1F	ZINC001244633994	803475962	/nfs/dbraw/zinc/47/59/62/803475962.db2.gz	RQUROFMFMLPGJS-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1cncnc1-c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001245000824	803609366	/nfs/dbraw/zinc/60/93/66/803609366.db2.gz	TZPSONXCSNEUFR-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2cc(CC(=O)[O-])ccc2F)c1	ZINC001245319485	803700735	/nfs/dbraw/zinc/70/07/35/803700735.db2.gz	OGJJDJBXXDAYRC-UHFFFAOYSA-N	-1	0	294.285	3.473	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C(=O)[O-])cc3Cl)c1-2	ZINC001245371143	803717398	/nfs/dbraw/zinc/71/73/98/803717398.db2.gz	SHQZYNPJWMXGNT-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
[CH2]CCNC(=S)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC001245801000	803969235	/nfs/dbraw/zinc/96/92/35/803969235.db2.gz	DUSKTUNJNKDILN-UHFFFAOYSA-N	-1	0	286.302	3.088	20	30		CGEDRM
CCc1nc(C#N)cc(-c2c(F)ccc([O-])c2Cl)n1	ZINC001245832993	803987742	/nfs/dbraw/zinc/98/77/42/803987742.db2.gz	RHWVXVPPKSUGRA-UHFFFAOYSA-N	-1	0	277.686	3.076	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3cc(F)cc(F)c3)cc2=O)cc1	ZINC001245920657	804049352	/nfs/dbraw/zinc/04/93/52/804049352.db2.gz	FUFSMKMEMIIIGG-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3cc(F)cc(F)c3)cc2=O)c1	ZINC001245921400	804049494	/nfs/dbraw/zinc/04/94/94/804049494.db2.gz	QAWIQDUASUWRFJ-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(C3CCCCC3)cc2=O)cc1	ZINC001245935090	804066070	/nfs/dbraw/zinc/06/60/70/804066070.db2.gz	JVONYXFVIPJFCL-UHFFFAOYSA-N	-1	0	267.332	3.497	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccc(Cl)cn3)[n-]2)c1	ZINC001245937765	804070760	/nfs/dbraw/zinc/07/07/60/804070760.db2.gz	UUWWOBDYBGUZKT-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
C#CCCc1cc(=O)n([C@@H](C)c2ccc(Cl)cc2)[n-]1	ZINC001245952326	804087872	/nfs/dbraw/zinc/08/78/72/804087872.db2.gz	XDCTUIJGPDARJD-NSHDSACASA-N	-1	0	274.751	3.417	20	30		CGEDRM
N#CC1(c2ccc(Nc3cc(=O)[n-]c(Cl)n3)cc2)CC1	ZINC001212249725	814997509	/nfs/dbraw/zinc/99/75/09/814997509.db2.gz	KHZAWULUPFYUAL-UHFFFAOYSA-N	-1	0	286.722	3.134	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1ccncc1)C1CCCCC1	ZINC001144640143	805018027	/nfs/dbraw/zinc/01/80/27/805018027.db2.gz	LPZITRXZKUVVQJ-MRXNPFEDSA-N	-1	0	288.391	3.369	20	30		CGEDRM
N#Cc1cccc(-c2nnc(CC3CCCCC3)o2)c1[O-]	ZINC001257076995	807043967	/nfs/dbraw/zinc/04/39/67/807043967.db2.gz	YATRQAGYDBZUAN-UHFFFAOYSA-N	-1	0	283.331	3.437	20	30		CGEDRM
N#Cc1ccc(NC(=O)CC2Cc3ccccc3C2)c(O)c1	ZINC001146802350	805090530	/nfs/dbraw/zinc/09/05/30/805090530.db2.gz	ZZFBABAGEIQVJA-UHFFFAOYSA-N	-1	0	292.338	3.007	20	30		CGEDRM
N#Cc1cnoc1[N-]c1c(F)ccc(Cl)c1F	ZINC001250086190	805407481	/nfs/dbraw/zinc/40/74/81/805407481.db2.gz	CVMHRAZEUWYLML-UHFFFAOYSA-N	-1	0	255.611	3.221	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1ccc(Cl)c([O-])c1	ZINC001212591413	815080396	/nfs/dbraw/zinc/08/03/96/815080396.db2.gz	LASHBDBHEQXWEN-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1cc(Nc2cccc3[nH]cnc32)c([O-])cc1F	ZINC001213033612	815207133	/nfs/dbraw/zinc/20/71/33/815207133.db2.gz	PCMAAAUEWJPMJK-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
N#Cc1c([O-])csc1N=c1cc[nH]c2ccccc21	ZINC001174038833	808836411	/nfs/dbraw/zinc/83/64/11/808836411.db2.gz	JIDRGZJGZKYVQD-UHFFFAOYSA-N	-1	0	267.313	3.039	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174497507	809044790	/nfs/dbraw/zinc/04/47/90/809044790.db2.gz	VWWNQCDCBYOJGM-AATRIKPKSA-N	-1	0	294.310	3.408	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccsc1C#N	ZINC001174673715	809126027	/nfs/dbraw/zinc/12/60/27/809126027.db2.gz	KSCPNQFSZGMIEL-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(Nc2cc(F)ccc2C#N)ccc1C(=O)[O-]	ZINC001174685552	809130153	/nfs/dbraw/zinc/13/01/53/809130153.db2.gz	SMWHOBGMLRAGBR-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1	ZINC001174687093	809130928	/nfs/dbraw/zinc/13/09/28/809130928.db2.gz	NMXJUFUDFUQHOA-UHFFFAOYSA-N	-1	0	297.310	3.149	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])c(Cl)cc2F)c(N)c1	ZINC001213358275	815269391	/nfs/dbraw/zinc/26/93/91/815269391.db2.gz	QSOORSGENRRZGV-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174951959	809212689	/nfs/dbraw/zinc/21/26/89/809212689.db2.gz	GYCRBGBGPNJCCA-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc(CC(=O)[O-])cc2)c(C#N)c1	ZINC001174955012	809214637	/nfs/dbraw/zinc/21/46/37/809214637.db2.gz	XOGBEGOYDOTZNK-UHFFFAOYSA-N	-1	0	294.310	3.132	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174955684	809215667	/nfs/dbraw/zinc/21/56/67/809215667.db2.gz	DPQLPBXMDHICCM-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001175158434	809292323	/nfs/dbraw/zinc/29/23/23/809292323.db2.gz	RAKKWIDIWCSQLC-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175221762	809314164	/nfs/dbraw/zinc/31/41/64/809314164.db2.gz	LRGFURQITDIBMH-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#C[C@H](NC(=O)c1ccc2ccccc2c1O)C1CCCC1	ZINC001303060823	809603051	/nfs/dbraw/zinc/60/30/51/809603051.db2.gz	OOFFALSIASLZLQ-INIZCTEOSA-N	-1	0	294.354	3.358	20	30		CGEDRM
COCOc1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001176189548	809643292	/nfs/dbraw/zinc/64/32/92/809643292.db2.gz	VWKOTJDPUJDPDE-UHFFFAOYSA-N	-1	0	294.307	3.191	20	30		CGEDRM
C#Cc1cc(Nc2cc(OC)cc(C(=O)[O-])c2)ccc1F	ZINC001213592871	815308603	/nfs/dbraw/zinc/30/86/03/815308603.db2.gz	QJELOGAUVDITKG-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1	ZINC001176587434	809724494	/nfs/dbraw/zinc/72/44/94/809724494.db2.gz	ZPAZTAKZHKQMND-UHFFFAOYSA-N	-1	0	278.311	3.418	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176591346	809725602	/nfs/dbraw/zinc/72/56/02/809725602.db2.gz	YURZGSSMLLQOMM-UHFFFAOYSA-N	-1	0	293.326	3.000	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176594069	809726398	/nfs/dbraw/zinc/72/63/98/809726398.db2.gz	NSLACYHMWBZBSA-VMPITWQZSA-N	-1	0	296.330	3.177	20	30		CGEDRM
N#Cc1ncc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Cl	ZINC001176593735	809726510	/nfs/dbraw/zinc/72/65/10/809726510.db2.gz	GULCVSYHFVXONW-ZZXKWVIFSA-N	-1	0	299.717	3.448	20	30		CGEDRM
COc1ccc(C#N)c(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176672079	809739636	/nfs/dbraw/zinc/73/96/36/809739636.db2.gz	DFUAXBDTACBLEG-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
COc1cc(C#N)cc(Nc2c(F)cc(F)c([O-])c2F)c1	ZINC001176674104	809740847	/nfs/dbraw/zinc/74/08/47/809740847.db2.gz	PUGPTPGZTSDGQA-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#CCc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1F	ZINC001176714478	809748525	/nfs/dbraw/zinc/74/85/25/809748525.db2.gz	NPQOUWMKHHJKRH-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
CC(C)c1cccc(NC(=O)CCC(=O)C2=CC=C[CH]2)n1	ZINC001184240643	810184358	/nfs/dbraw/zinc/18/43/58/810184358.db2.gz	DFOAUATXRCLZCP-UHFFFAOYSA-N	-1	0	283.351	3.193	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001184508455	810205942	/nfs/dbraw/zinc/20/59/42/810205942.db2.gz	HVVLYAVBKIWUCK-ZJUUUORDSA-N	-1	0	276.311	3.168	20	30		CGEDRM
CCc1cc(C(=O)[N-]c2c(C#N)oc3ccccc32)no1	ZINC001189996885	810600492	/nfs/dbraw/zinc/60/04/92/810600492.db2.gz	ZCFVIEDXAIMGPO-UHFFFAOYSA-N	-1	0	281.271	3.107	20	30		CGEDRM
CCCCCCCCCCN(C)C(=O)c1cc(=O)[nH][n-]1	ZINC001193469592	810892050	/nfs/dbraw/zinc/89/20/50/810892050.db2.gz	PIOPKXIEEZOUES-UHFFFAOYSA-N	-1	0	281.400	3.328	20	30		CGEDRM
C=CCOC(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001194319133	811050626	/nfs/dbraw/zinc/05/06/26/811050626.db2.gz	LGIKCGPDUJEGDW-UHFFFAOYSA-N	-1	0	262.092	3.434	20	30		CGEDRM
Cc1noc(Nc2c(Cl)ccc([O-])c2F)c1C#N	ZINC001214553841	815422427	/nfs/dbraw/zinc/42/24/27/815422427.db2.gz	BZZATXXLNKHRHG-UHFFFAOYSA-N	-1	0	267.647	3.096	20	30		CGEDRM
CC(C)(C)C1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1	ZINC001195733567	811283764	/nfs/dbraw/zinc/28/37/64/811283764.db2.gz	QYHUKZDHBHFSGY-UHFFFAOYSA-N	-1	0	286.375	3.162	20	30		CGEDRM
CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764155	811289894	/nfs/dbraw/zinc/28/98/94/811289894.db2.gz	HFPSNPXRQWDQKN-GFCCVEGCSA-N	-1	0	274.364	3.208	20	30		CGEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2occc2c1	ZINC001198855064	811548207	/nfs/dbraw/zinc/54/82/07/811548207.db2.gz	FDLGOOPCNMPIJK-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
CC(C)c1oncc1C(=O)Nc1c(C#N)ccc(F)c1F	ZINC001199748578	811595170	/nfs/dbraw/zinc/59/51/70/811595170.db2.gz	NDJVXHJIILONMR-UHFFFAOYSA-N	-1	0	291.257	3.200	20	30		CGEDRM
C[C@@H](C#N)c1ccc(Nc2cnc(F)c(C(=O)[O-])c2)cc1	ZINC001215109420	815483490	/nfs/dbraw/zinc/48/34/90/815483490.db2.gz	DFDPAQOWJMXALT-VIFPVBQESA-N	-1	0	285.278	3.290	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc2ccccc2[nH]c1=O	ZINC001201753358	811959321	/nfs/dbraw/zinc/95/93/21/811959321.db2.gz	UDZCMXVSDYGCJV-UHFFFAOYSA-N	-1	0	283.312	3.323	20	30		CGEDRM
N#Cc1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)nc1	ZINC001215153723	815488802	/nfs/dbraw/zinc/48/88/02/815488802.db2.gz	IODMODHRVQCYOI-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc2n[nH]cc2c(F)c1	ZINC001215553820	815531587	/nfs/dbraw/zinc/53/15/87/815531587.db2.gz	JCURAVXIUSRSIR-UHFFFAOYSA-N	-1	0	274.280	3.084	20	30		CGEDRM
Cc1cccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1F	ZINC001204642261	812698893	/nfs/dbraw/zinc/69/88/93/812698893.db2.gz	BQTYWHAVJBROQJ-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
Cc1oc(Nc2c(F)cc(C(=O)[O-])cc2F)c(C#N)c1C	ZINC001215612007	815547192	/nfs/dbraw/zinc/54/71/92/815547192.db2.gz	JAKZIYZGIXJOFQ-UHFFFAOYSA-N	-1	0	292.241	3.488	20	30		CGEDRM
COc1cc(-c2ccsc2C(=O)[O-])cc(F)c1C#N	ZINC001205614325	813024855	/nfs/dbraw/zinc/02/48/55/813024855.db2.gz	MQOUFTYBKHNIJN-UHFFFAOYSA-N	-1	0	277.276	3.133	20	30		CGEDRM
N#C[C@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1F	ZINC001205690929	813053260	/nfs/dbraw/zinc/05/32/60/813053260.db2.gz	RNDGXHOKMZLWKT-HNNXBMFYSA-N	-1	0	285.274	3.305	20	30		CGEDRM
N#Cc1ccc(F)c(-c2noc(-c3ccc([O-])c(F)c3)n2)c1	ZINC001215792549	815593649	/nfs/dbraw/zinc/59/36/49/815593649.db2.gz	VNEQHTATCGOWOT-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccc(O)cc2F)n1	ZINC001206029760	813171205	/nfs/dbraw/zinc/17/12/05/813171205.db2.gz	IFQZXJLBOHUXRZ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1csc(C(=O)[O-])c1	ZINC001206250422	813256079	/nfs/dbraw/zinc/25/60/79/813256079.db2.gz	ODCYXMUZAHKEPT-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2csc(C(=O)[O-])c2)c1	ZINC001206298639	813277966	/nfs/dbraw/zinc/27/79/66/813277966.db2.gz	LECXSXXRXXYNQV-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
COc1cc(-c2csc(C(=O)[O-])c2)cc(F)c1C#N	ZINC001206302795	813279078	/nfs/dbraw/zinc/27/90/78/813279078.db2.gz	ADOFBJZMFHSDCC-UHFFFAOYSA-N	-1	0	277.276	3.133	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)OCCCO2	ZINC001209999023	814237328	/nfs/dbraw/zinc/23/73/28/814237328.db2.gz	HHSUNALCCVUCFJ-UHFFFAOYSA-N	-1	0	288.328	3.230	20	30		CGEDRM
N#Cc1ncccc1Nc1cc([O-])c(Cl)cc1F	ZINC001210147347	814309838	/nfs/dbraw/zinc/30/98/38/814309838.db2.gz	BRVKRSFQQKCXGF-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210242588	814361870	/nfs/dbraw/zinc/36/18/70/814361870.db2.gz	VHPCLGHEALHLJS-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
COc1cc(F)c(F)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210549871	814520509	/nfs/dbraw/zinc/52/05/09/814520509.db2.gz	LUHJMSNPFACUMN-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1cc([N-]c2noc(C(C)(C)C)n2)ccc1C#N	ZINC001210803504	814635463	/nfs/dbraw/zinc/63/54/63/814635463.db2.gz	SEGAOCVPNVRUJS-UHFFFAOYSA-N	-1	0	256.309	3.291	20	30		CGEDRM
Cc1cc(Cl)nc(Nc2ccccc2C(=O)[O-])c1C#N	ZINC001210965211	814693400	/nfs/dbraw/zinc/69/34/00/814693400.db2.gz	HRQSBRBNLFAMJX-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1cccc([O-])c1Cl	ZINC001242801995	823137854	/nfs/dbraw/zinc/13/78/54/823137854.db2.gz	LHMFTRBSBQUOOB-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
Cc1cc(Nc2cccc(F)c2C#N)cc(C(=O)[O-])c1	ZINC001211542932	814904409	/nfs/dbraw/zinc/90/44/09/814904409.db2.gz	UIUULTYVTNZORE-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(Nc2cccc(C#N)c2)cc(C(=O)[O-])c1	ZINC001211542716	814904615	/nfs/dbraw/zinc/90/46/15/814904615.db2.gz	PALLISYNAIOADX-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2)cc(C(=O)[O-])c1	ZINC001211542929	814905058	/nfs/dbraw/zinc/90/50/58/814905058.db2.gz	UEBPXYBKKWQRJW-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1cnc(Nc2ccc(C(=O)[O-])cc2C)c(C#N)c1	ZINC001211618956	814918876	/nfs/dbraw/zinc/91/88/76/814918876.db2.gz	ZFBVZXBFFPQKDX-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc(Nc2ccnc(Cl)c2[O-])cc1C#N	ZINC001216074361	815681010	/nfs/dbraw/zinc/68/10/10/815681010.db2.gz	CGWNCBKZULQJSM-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
Cc1cnc(C#N)c(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242851970	823152680	/nfs/dbraw/zinc/15/26/80/823152680.db2.gz	RGEWEZUQQRLASR-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3ccccc3F)no2)c([O-])c1	ZINC001217040642	815907820	/nfs/dbraw/zinc/90/78/20/815907820.db2.gz	YOWJDLJTXGHRME-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3ccccc3C(=O)[O-])c2c1	ZINC001242877606	823161461	/nfs/dbraw/zinc/16/14/61/823161461.db2.gz	MZCMEFPICGRGBI-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C)c(C#N)c(F)c1	ZINC001242923536	823173641	/nfs/dbraw/zinc/17/36/41/823173641.db2.gz	ABPQQVLCZGOUNI-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#CCc1cnc(F)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001222698029	816503002	/nfs/dbraw/zinc/50/30/02/816503002.db2.gz	OHEVYGNNJIVTDS-UHFFFAOYSA-N	-1	0	296.301	3.070	20	30		CGEDRM
C[C@H]1C[C@@H](O/C(=N\O)c2ccc(Cl)cc2)CCO1	ZINC001223592766	816654571	/nfs/dbraw/zinc/65/45/71/816654571.db2.gz	DXKSFOVTMWPSIT-BTCRKOMKSA-N	-1	0	269.728	3.060	20	30		CGEDRM
C=CC[C@@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)C	ZINC001223891344	816698843	/nfs/dbraw/zinc/69/88/43/816698843.db2.gz	IKSPJOIYTZCEHM-UPTRSRDDSA-N	-1	0	293.363	3.457	20	30		CGEDRM
CCC[C@@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893075	816699350	/nfs/dbraw/zinc/69/93/50/816699350.db2.gz	QNMHTKSDRCYNFQ-YZSSSTSJSA-N	-1	0	281.352	3.435	20	30		CGEDRM
C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1C#N	ZINC001225491557	817073266	/nfs/dbraw/zinc/07/32/66/817073266.db2.gz	QHQWODRWBPSFJV-SNVBAGLBSA-N	-1	0	284.271	3.312	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225513207	817080102	/nfs/dbraw/zinc/08/01/02/817080102.db2.gz	FVGHBNXTAZERJM-LBPRGKRZSA-N	-1	0	284.377	3.447	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(Cl)cc(=O)[n-]2)O1	ZINC001225562857	817093014	/nfs/dbraw/zinc/09/30/14/817093014.db2.gz	MWGXZGILTHPZCR-YMTOWFKASA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225624325	817117123	/nfs/dbraw/zinc/11/71/23/817117123.db2.gz	ARZWKZSXOQXBJQ-SNVBAGLBSA-N	-1	0	251.282	3.424	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(=C)C	ZINC001226009395	817248194	/nfs/dbraw/zinc/24/81/94/817248194.db2.gz	WSXMRXRCDFXZIG-LBPRGKRZSA-N	-1	0	262.284	3.088	20	30		CGEDRM
CCCCCCC[C@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-]	ZINC001226332114	817331058	/nfs/dbraw/zinc/33/10/58/817331058.db2.gz	SNYUJTGPBPDMCC-JTQLQIEISA-N	-1	0	283.328	3.218	20	30		CGEDRM
CCCCCCC[C@@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-]	ZINC001226332120	817331086	/nfs/dbraw/zinc/33/10/86/817331086.db2.gz	SNYUJTGPBPDMCC-SNVBAGLBSA-N	-1	0	283.328	3.218	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226345377	817332318	/nfs/dbraw/zinc/33/23/18/817332318.db2.gz	BAXGWRMWUPVYBP-ZCFIWIBFSA-N	-1	0	296.314	3.067	20	30		CGEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226557077	817396591	/nfs/dbraw/zinc/39/65/91/817396591.db2.gz	VUOQMIDLSOILSI-QMMMGPOBSA-N	-1	0	279.727	3.117	20	30		CGEDRM
C=C[C@H](CCCC)Oc1n[n-]c(=O)cc1Br	ZINC001226848580	817483535	/nfs/dbraw/zinc/48/35/35/817483535.db2.gz	FZUIJFSPSCKLTA-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2ccccc21	ZINC001226976984	817522134	/nfs/dbraw/zinc/52/21/34/817522134.db2.gz	JQRCIOCCFYFRNQ-UHFFFAOYSA-N	-1	0	256.305	3.235	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)nc2cnccc21	ZINC001226976406	817522764	/nfs/dbraw/zinc/52/27/64/817522764.db2.gz	NQAWLGITKXJTRC-HUBLWGQQSA-N	-1	0	299.374	3.078	20	30		CGEDRM
C=C(C)C[C@H](Oc1nc(=O)[n-]c(C)c1Cl)C(=C)C	ZINC001227114177	817561913	/nfs/dbraw/zinc/56/19/13/817561913.db2.gz	XXYBKSWRHMEJEM-JTQLQIEISA-N	-1	0	268.744	3.434	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc3c(C#N)c[nH]c3n2)c1	ZINC001243176810	823273854	/nfs/dbraw/zinc/27/38/54/823273854.db2.gz	DBUSHZFFSOVCFS-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=S)nnc1C	ZINC001227602786	817680625	/nfs/dbraw/zinc/68/06/25/817680625.db2.gz	XHEVCFXDUBXBNT-AWEZNQCLSA-N	-1	0	299.399	3.068	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227606646	817680695	/nfs/dbraw/zinc/68/06/95/817680695.db2.gz	CZAASQCMIKKRSS-VIFPVBQESA-N	-1	0	279.365	3.306	20	30		CGEDRM
Cc1ccc(-c2cccc(CC#N)c2)cc1C(=O)[O-]	ZINC001243196139	823285558	/nfs/dbraw/zinc/28/55/58/823285558.db2.gz	YTGGNHKERCOWMH-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227787204	817720034	/nfs/dbraw/zinc/72/00/34/817720034.db2.gz	ZKINJCHMVZEJOF-LBPRGKRZSA-N	-1	0	293.363	3.065	20	30		CGEDRM
N#CC[C@H](Oc1[n-]c(=O)nc2sccc21)c1ccccc1	ZINC001227843753	817732060	/nfs/dbraw/zinc/73/20/60/817732060.db2.gz	VFFSPDXLSQCZHX-LBPRGKRZSA-N	-1	0	297.339	3.431	20	30		CGEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227989503	817774950	/nfs/dbraw/zinc/77/49/50/817774950.db2.gz	NPDCBHCDXLMMMJ-SECBINFHSA-N	-1	0	264.712	3.332	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccccc1CC#N	ZINC001243203817	823289311	/nfs/dbraw/zinc/28/93/11/823289311.db2.gz	MFBGAEISHWGAST-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
C#C[C@@H](CC)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228186569	817833679	/nfs/dbraw/zinc/83/36/79/817833679.db2.gz	SGDWHQILRJBWGS-HNNXBMFYSA-N	-1	0	280.323	3.414	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243210864	823293647	/nfs/dbraw/zinc/29/36/47/823293647.db2.gz	CNKYQPXHJQGDIW-UHFFFAOYSA-N	-1	0	284.315	3.023	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243212866	823294456	/nfs/dbraw/zinc/29/44/56/823294456.db2.gz	UVJMLHKXJBOLKI-UHFFFAOYSA-N	-1	0	299.355	3.052	20	30		CGEDRM
CCc1nnc(-c2ccc(C(=O)[O-])c(C)c2)c(C#N)c1CC	ZINC001243214537	823295556	/nfs/dbraw/zinc/29/55/56/823295556.db2.gz	RFCBMOZSBQFEQF-UHFFFAOYSA-N	-1	0	295.342	3.147	20	30		CGEDRM
C=C[C@H](CCCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228440211	817906803	/nfs/dbraw/zinc/90/68/03/817906803.db2.gz	FMEZPOQICNFTGP-GFCCVEGCSA-N	-1	0	290.392	3.075	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)ncc2Cl)O1	ZINC001228480457	817918338	/nfs/dbraw/zinc/91/83/38/817918338.db2.gz	KSUVUIKJFFVXHO-QMTHXVAHSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CC[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228861800	818026464	/nfs/dbraw/zinc/02/64/64/818026464.db2.gz	HHNYBKVSDJHSIR-ZCFIWIBFSA-N	-1	0	292.213	3.058	20	30		CGEDRM
CN(CCC#N)Cc1ccccc1-c1ccccc1C(=O)[O-]	ZINC001231678416	818156423	/nfs/dbraw/zinc/15/64/23/818156423.db2.gz	ZPLCQKKMMMSBGY-UHFFFAOYSA-N	-1	0	294.354	3.397	20	30		CGEDRM
C=CCN(Cc1c(F)ccc(O)c1F)C(C)(C)C	ZINC001233396541	818611238	/nfs/dbraw/zinc/61/12/38/818611238.db2.gz	IRLJOVUMRCZCCU-UHFFFAOYSA-N	-1	0	255.308	3.457	20	30		CGEDRM
CC[C@H]1CCCC[C@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915321	818730827	/nfs/dbraw/zinc/73/08/27/818730827.db2.gz	IFOOXILMSURDDA-WCQYABFASA-N	-1	0	260.337	3.315	20	30		CGEDRM
COc1cc(-c2ccc([O-])c(F)c2F)cc(F)c1C#N	ZINC001243343379	823359718	/nfs/dbraw/zinc/35/97/18/823359718.db2.gz	AIVUPRHZRJIUNN-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
C#CC[C@H](C)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234411930	818848980	/nfs/dbraw/zinc/84/89/80/818848980.db2.gz	LJCIFKGYHSMFEZ-QMMMGPOBSA-N	-1	0	296.248	3.145	20	30		CGEDRM
Cc1nc(-c2c(F)cc(F)c([O-])c2F)ccc1CC#N	ZINC001235994517	819263948	/nfs/dbraw/zinc/26/39/48/819263948.db2.gz	SLIMHSMQJQRVRQ-UHFFFAOYSA-N	-1	0	278.233	3.246	20	30		CGEDRM
N#CCc1cc(-c2c(F)cc(F)c([O-])c2F)ccc1C#N	ZINC001235999050	819267842	/nfs/dbraw/zinc/26/78/42/819267842.db2.gz	WAPKPBSJDVFRMT-UHFFFAOYSA-N	-1	0	288.228	3.414	20	30		CGEDRM
N#Cc1nccc2cc(-c3ccc(C(=O)[O-])cc3)ccc12	ZINC001236064396	819297383	/nfs/dbraw/zinc/29/73/83/819297383.db2.gz	OXDIKCREQFKKHO-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1cccnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236143570	819343687	/nfs/dbraw/zinc/34/36/87/819343687.db2.gz	PSHCZSKWOLZYOE-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cc(F)cc(F)c3[O-])nc2c1	ZINC001243503912	823422182	/nfs/dbraw/zinc/42/21/82/823422182.db2.gz	MYZNJWAAYILVRA-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(C(=O)[O-])c(F)c3F)ccc2[nH]1	ZINC001243511909	823426352	/nfs/dbraw/zinc/42/63/52/823426352.db2.gz	OTZVUBGAHNOPAX-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1cc(-c2ccc(Cl)c([O-])c2)nc(C2CC2)n1	ZINC001243579993	823453634	/nfs/dbraw/zinc/45/36/34/823453634.db2.gz	ZKIBDYGFPPIXJK-UHFFFAOYSA-N	-1	0	271.707	3.252	20	30		CGEDRM
COc1cnc(-c2ccc(C(F)(F)F)cc2[O-])c(C#N)c1	ZINC001243607749	823465727	/nfs/dbraw/zinc/46/57/27/823465727.db2.gz	CAEWHBXFQSTNAZ-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
CC#Cc1cncc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240551274	821137834	/nfs/dbraw/zinc/13/78/34/821137834.db2.gz	SLSPFQPXRNEPHL-BQYQJAHWSA-N	-1	0	263.296	3.218	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc([O-])c(F)c1)CCCC2	ZINC001240782733	821321983	/nfs/dbraw/zinc/32/19/83/821321983.db2.gz	GYJLZRFRRJVVFB-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(C(=O)[O-])s2)c1	ZINC001240847090	821367503	/nfs/dbraw/zinc/36/75/03/821367503.db2.gz	ATKSHDQABONSLR-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccc(C(=O)[O-])s1	ZINC001240848084	821368780	/nfs/dbraw/zinc/36/87/80/821368780.db2.gz	DKZHLGDLYKHEDL-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1ccc(-c2ccc(CC(=O)[O-])cc2)c(C)c1C#N	ZINC001240975770	821459472	/nfs/dbraw/zinc/45/94/72/821459472.db2.gz	HEFKKIIEPYHBKG-UHFFFAOYSA-N	-1	0	265.312	3.469	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2[nH]c(C#N)cc2n1	ZINC001241000172	821478881	/nfs/dbraw/zinc/47/88/81/821478881.db2.gz	GSGHVWPPEBHFHN-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc(C#N)c1	ZINC001241001975	821481155	/nfs/dbraw/zinc/48/11/55/821481155.db2.gz	NSGKWQLWEXJBFH-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2c(F)cc([O-])cc2F)n1	ZINC001241116965	821572041	/nfs/dbraw/zinc/57/20/41/821572041.db2.gz	JORPMSJJIGHGFN-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1c(F)cc([O-])cc1F	ZINC001241118063	821573372	/nfs/dbraw/zinc/57/33/72/821573372.db2.gz	FPQFKTQAOQRULD-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#CCCOc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001241246586	821667850	/nfs/dbraw/zinc/66/78/50/821667850.db2.gz	XBYSEDVVQGZLOY-UHFFFAOYSA-N	-1	0	285.274	3.483	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2c(F)ccc(O)c2F)cc1F	ZINC001241293857	821712064	/nfs/dbraw/zinc/71/20/64/821712064.db2.gz	CUKRCODNZVUIEM-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C(=O)[O-])c(Cl)c3)c1-2	ZINC001241346661	821750959	/nfs/dbraw/zinc/75/09/59/821750959.db2.gz	HSYPVWBRALGFML-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
Cc1cc(C#N)nc(-c2ccc([O-])c(C(F)(F)F)c2)n1	ZINC001242151642	822896328	/nfs/dbraw/zinc/89/63/28/822896328.db2.gz	SNHCNGLFEGQIME-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1cc(-c2cccc(CC(=O)[O-])c2)cc(F)c1C#N	ZINC001242264624	822930776	/nfs/dbraw/zinc/93/07/76/822930776.db2.gz	WMFILZWHNZTHPQ-UHFFFAOYSA-N	-1	0	269.275	3.300	20	30		CGEDRM
COc1cc(-c2cccc(CC(=O)[O-])c2)cc(F)c1C#N	ZINC001242265655	822931114	/nfs/dbraw/zinc/93/11/14/822931114.db2.gz	JZJPZAXSRQPLBC-UHFFFAOYSA-N	-1	0	285.274	3.000	20	30		CGEDRM
N#Cc1cc(-c2cccc(Cl)c2[O-])nc(C2CC2)n1	ZINC001242365003	822968443	/nfs/dbraw/zinc/96/84/43/822968443.db2.gz	GLMUKQUXQPQLTG-UHFFFAOYSA-N	-1	0	271.707	3.252	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1nc(C(C)C)ccc1C#N	ZINC001242388347	822978469	/nfs/dbraw/zinc/97/84/69/822978469.db2.gz	XFPVVFXOKFDPSL-UHFFFAOYSA-N	-1	0	296.326	3.450	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc2c(C#N)c[nH]c2c1	ZINC001242391657	822979066	/nfs/dbraw/zinc/97/90/66/822979066.db2.gz	ZRCAJCHWUKWSCT-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccccc1CS	ZINC001242392555	822979575	/nfs/dbraw/zinc/97/95/75/822979575.db2.gz	WTSZXGCVYDKKKJ-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC001341324952	936434439	/nfs/dbraw/zinc/43/44/39/936434439.db2.gz	DSNUTAYFKYTXIY-ZDUSSCGKSA-N	-1	0	296.411	3.018	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3c(o2)CCCC3)n1	ZINC001341725808	936449017	/nfs/dbraw/zinc/44/90/17/936449017.db2.gz	YKKKVNPKSNUEKQ-NSHDSACASA-N	-1	0	286.356	3.413	20	30		CGEDRM
CC(C)c1nc(C([O-])=C(C#N)c2cccc(F)n2)cs1	ZINC001342557953	936469864	/nfs/dbraw/zinc/46/98/64/936469864.db2.gz	KTRKZEBFSDYURI-SECBINFHSA-N	-1	0	289.335	3.291	20	30		CGEDRM
N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1cccc(F)n1	ZINC001343312039	936494785	/nfs/dbraw/zinc/49/47/85/936494785.db2.gz	JYEWLTBHJMOLMH-LBPRGKRZSA-N	-1	0	298.321	3.022	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1cccc(F)n1	ZINC001343350718	936496352	/nfs/dbraw/zinc/49/63/52/936496352.db2.gz	MYFWDEDXKRSIQY-NSHDSACASA-N	-1	0	299.692	3.236	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1cccc(F)n1	ZINC001343350715	936496484	/nfs/dbraw/zinc/49/64/84/936496484.db2.gz	MYFWDEDXKRSIQY-LLVKDONJSA-N	-1	0	299.692	3.236	20	30		CGEDRM
CCc1ncoc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC001343754235	936513139	/nfs/dbraw/zinc/51/31/39/936513139.db2.gz	HWSRTTXRZJMXBJ-VIFPVBQESA-N	-1	0	287.344	3.061	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC001353067914	937056899	/nfs/dbraw/zinc/05/68/99/937056899.db2.gz	JIWWMOZCNSNXPW-GFCCVEGCSA-N	-1	0	294.326	3.271	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1[O-]	ZINC001353904960	937081042	/nfs/dbraw/zinc/08/10/42/937081042.db2.gz	NFNSDDXPTJAHFE-LLVKDONJSA-N	-1	0	281.302	3.241	20	30		CGEDRM
O=C([O-])COc1ccc(/C=C\C(=O)c2cccs2)cc1	ZINC000211717041	927244825	/nfs/dbraw/zinc/24/48/25/927244825.db2.gz	JEGVHGHZUGOYEX-YVMONPNESA-N	-1	0	288.324	3.108	20	30		CGEDRM
C=C(C)C(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC000200266452	937216737	/nfs/dbraw/zinc/21/67/37/937216737.db2.gz	LXBIZASZMHUOIA-UHFFFAOYSA-N	-1	0	250.348	3.473	20	30		CGEDRM
CC[C@@H](Nc1cnn(CC)c1)c1cccc(C#N)c1O	ZINC000925944268	928613593	/nfs/dbraw/zinc/61/35/93/928613593.db2.gz	YJNFMWMDFRHZHN-CQSZACIVSA-N	-1	0	270.336	3.043	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])cc1	ZINC001450215545	937384003	/nfs/dbraw/zinc/38/40/03/937384003.db2.gz	DCYYZLAIDCTLLX-UHFFFAOYSA-N	-1	0	293.322	3.219	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1cc2ccccc2o1	ZINC001452741481	937397867	/nfs/dbraw/zinc/39/78/67/937397867.db2.gz	WYACILPBUGPYAB-QWRGUYRKSA-N	-1	0	259.305	3.159	20	30		CGEDRM
Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=O)ccc1C#N	ZINC001228898851	932048183	/nfs/dbraw/zinc/04/81/83/932048183.db2.gz	NLYWKTKJKFQSMO-AWEZNQCLSA-N	-1	0	266.300	3.034	20	30		CGEDRM
CCCCC(=O)[C@H](CCCC)Oc1[n-]c(=O)ccc1C#N	ZINC001228903344	932049523	/nfs/dbraw/zinc/04/95/23/932049523.db2.gz	XESHPMBIRATNGN-AWEZNQCLSA-N	-1	0	290.363	3.356	20	30		CGEDRM
C=C[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228972728	932063371	/nfs/dbraw/zinc/06/33/71/932063371.db2.gz	CXJNLCBTTOYYGG-ZDUSSCGKSA-N	-1	0	287.271	3.312	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882565	932634471	/nfs/dbraw/zinc/63/44/71/932634471.db2.gz	GQGHAZACKHBWNB-QMMMGPOBSA-N	-1	0	296.367	3.340	20	30		CGEDRM
CC#C[C@@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231049601	932666302	/nfs/dbraw/zinc/66/63/02/932666302.db2.gz	METARYGBBNCCKR-SSDOTTSWSA-N	-1	0	284.146	3.445	20	30		CGEDRM
C#CC(C)(C)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001465165346	937698535	/nfs/dbraw/zinc/69/85/35/937698535.db2.gz	IPTWFOJMFHPFCL-UHFFFAOYSA-N	-1	0	287.746	3.340	20	30		CGEDRM
Nc1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC001319544216	933890435	/nfs/dbraw/zinc/89/04/35/933890435.db2.gz	ZNUNQYLHBIRGBL-UHFFFAOYSA-N	-1	0	289.722	3.066	20	30		CGEDRM
Cc1cc(C(=O)Nc2c([O-])cccc2F)cc(C)c1C#N	ZINC001469928146	937745565	/nfs/dbraw/zinc/74/55/65/937745565.db2.gz	FIWXWSBTRZXZMA-UHFFFAOYSA-N	-1	0	284.290	3.272	20	30		CGEDRM
C=CC[C@@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001321203912	934163516	/nfs/dbraw/zinc/16/35/16/934163516.db2.gz	LXGLQIOZTZJPIG-ZIAGYGMSSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCO[N-]C(=O)/C(=C\c1ccccc1)C(F)(F)F	ZINC001470616152	937755771	/nfs/dbraw/zinc/75/57/71/937755771.db2.gz	KFVXLWMCWPEYLX-ZRDIBKRKSA-N	-1	0	285.265	3.256	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1nccc(Br)c1[O-]	ZINC001470752108	937757117	/nfs/dbraw/zinc/75/71/17/937757117.db2.gz	KYRSBHLFYRMSFH-QMMMGPOBSA-N	-1	0	299.168	3.091	20	30		CGEDRM
C[C@@H]1C(=NOC(C)(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC001326241259	934962471	/nfs/dbraw/zinc/96/24/71/934962471.db2.gz	ZDFIHTOFKCRQAO-NXEZZACHSA-N	-1	0	255.358	3.314	20	30		CGEDRM
C=C(C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC001526721459	938057585	/nfs/dbraw/zinc/05/75/85/938057585.db2.gz	KZVRNAGQBNYLPG-ZDUSSCGKSA-N	-1	0	299.729	3.077	20	30		CGEDRM
CCN(C(=O)c1cccc(F)c1[O-])c1ccc(C#N)cc1	ZINC001532303219	938085996	/nfs/dbraw/zinc/08/59/96/938085996.db2.gz	WRYBOGXGDMREQK-UHFFFAOYSA-N	-1	0	284.290	3.070	20	30		CGEDRM
Cc1cc(C#N)ccc1C(=O)Nc1cc(F)cc(F)c1[O-]	ZINC001557086755	938207738	/nfs/dbraw/zinc/20/77/38/938207738.db2.gz	CVLCKAFEDZCPKC-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)[O-])c1	ZINC001602718906	971378207	/nfs/dbraw/zinc/37/82/07/971378207.db2.gz	YQYVRBZJWSDHFZ-SWLSCSKDSA-N	-1	0	287.359	3.250	20	30		CGEDRM
N#Cc1c(F)cccc1OCc1ccsc1C(=O)[O-]	ZINC000110952988	958403443	/nfs/dbraw/zinc/40/34/43/958403443.db2.gz	MOPPTYQORSNYPN-UHFFFAOYSA-N	-1	0	277.276	3.036	20	30		CGEDRM
CCCCCCCC(=O)Nc1cccnc1C(=O)[O-]	ZINC000132197778	958774722	/nfs/dbraw/zinc/77/47/22/958774722.db2.gz	VRTMGADUEHQXOS-UHFFFAOYSA-N	-1	0	264.325	3.079	20	30		CGEDRM
Cc1cccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1	ZINC000201240629	959638831	/nfs/dbraw/zinc/63/88/31/959638831.db2.gz	UZVWWRUBQJZHPL-YHYXMXQVSA-N	-1	0	296.322	3.355	20	30		CGEDRM
C=C[C@@H](Nc1ccc(COC(C)(C)C)cc1)C(=O)[O-]	ZINC001602821108	960549281	/nfs/dbraw/zinc/54/92/81/960549281.db2.gz	VKRWYLKGYYILMM-CYBMUJFWSA-N	-1	0	263.337	3.053	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001573328998	962242661	/nfs/dbraw/zinc/24/26/61/962242661.db2.gz	UYGDHUUNRVXWFA-CQSZACIVSA-N	-1	0	295.423	3.328	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC001573330017	962246345	/nfs/dbraw/zinc/24/63/45/962246345.db2.gz	RZKJFIINFWYMET-JSGCOSHPSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C#CCOCCSc1cc2ccccc2cc1C(=O)[O-]	ZINC001573311340	962699314	/nfs/dbraw/zinc/69/93/14/962699314.db2.gz	MWLZZHCZRAYHFX-UHFFFAOYSA-N	-1	0	286.352	3.280	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1	ZINC001573311748	962710835	/nfs/dbraw/zinc/71/08/35/962710835.db2.gz	GBQGALNAPWXJJO-LBPRGKRZSA-N	-1	0	293.322	3.108	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CCCC1CCCCC1)C(=O)[O-]	ZINC001573322464	962770909	/nfs/dbraw/zinc/77/09/09/962770909.db2.gz	ZUVLFYYHZYEAFU-AWEZNQCLSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(C)c2)CCCC1	ZINC001583408671	962800227	/nfs/dbraw/zinc/80/02/27/962800227.db2.gz	PPCWSCLKJUWQTR-AWEZNQCLSA-N	-1	0	273.376	3.429	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc12	ZINC001573346610	962940950	/nfs/dbraw/zinc/94/09/50/962940950.db2.gz	DZKZSTHHEBAVKW-UHFFFAOYSA-N	-1	0	284.315	3.084	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001573348407	962959224	/nfs/dbraw/zinc/95/92/24/962959224.db2.gz	WMZPMPFSZCSLPU-UHFFFAOYSA-N	-1	0	296.392	3.397	20	30		CGEDRM
C=CCCO[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC001586065561	963063630	/nfs/dbraw/zinc/06/36/30/963063630.db2.gz	DRWZSBQABXZYPR-RBSFLKMASA-N	-1	0	283.412	3.088	20	30		CGEDRM
C#C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1	ZINC001588377575	963267159	/nfs/dbraw/zinc/26/71/59/963267159.db2.gz	NEJKLXOVQZGDNE-HOTGVXAUSA-N	-1	0	299.757	3.430	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NCCC(C)(C)C(=O)[O-])c1	ZINC001588444799	963270554	/nfs/dbraw/zinc/27/05/54/963270554.db2.gz	SFXHPQOLVDDINW-UHFFFAOYSA-N	-1	0	290.363	3.342	20	30		CGEDRM
C#CCOc1ccc(CNc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001588497481	963275023	/nfs/dbraw/zinc/27/50/23/963275023.db2.gz	JDMZBTSDDQMCRE-UHFFFAOYSA-N	-1	0	299.301	3.148	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588451263	963279247	/nfs/dbraw/zinc/27/92/47/963279247.db2.gz	QVORMNOGMGSSON-JKIFEVAISA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=CCC1(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CCCCC1	ZINC001588457610	963280423	/nfs/dbraw/zinc/28/04/23/963280423.db2.gz	HLTSSPDXABXGGQ-KBPBESRZSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC001588534659	963283041	/nfs/dbraw/zinc/28/30/41/963283041.db2.gz	BUVIOTIYRBHOKE-LLVKDONJSA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001588536190	963284582	/nfs/dbraw/zinc/28/45/82/963284582.db2.gz	PUKQSEAAWLKSRJ-QMMMGPOBSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C(C)CNc1cc(C(=O)[O-])c(Br)cc1C	ZINC001588569496	963287233	/nfs/dbraw/zinc/28/72/33/963287233.db2.gz	CKGXZEQCLOPCGD-UHFFFAOYSA-N	-1	0	284.153	3.444	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(C2CCC2)c1	ZINC001588634596	963289656	/nfs/dbraw/zinc/28/96/56/963289656.db2.gz	XPTFSNBESJKDKW-UHFFFAOYSA-N	-1	0	273.332	3.314	20	30		CGEDRM
C=C1CCC(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)CC1	ZINC001588649813	963297078	/nfs/dbraw/zinc/29/70/78/963297078.db2.gz	FRJZDGNXAKPJRF-UHFFFAOYSA-N	-1	0	291.322	3.000	20	30		CGEDRM
C=C1CCC(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])CC1	ZINC001588644332	963297747	/nfs/dbraw/zinc/29/77/47/963297747.db2.gz	PVIQSHBFWDIQNZ-MRXNPFEDSA-N	-1	0	299.370	3.084	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1c(F)c(OC)ccc1C(=O)[O-]	ZINC001588690693	963298420	/nfs/dbraw/zinc/29/84/20/963298420.db2.gz	IONHTEBNKDKZFG-SECBINFHSA-N	-1	0	295.310	3.073	20	30		CGEDRM
C=CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588681009	963299928	/nfs/dbraw/zinc/29/99/28/963299928.db2.gz	KWEYWIVFCOBXEN-UHFFFAOYSA-N	-1	0	276.336	3.033	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC001588690734	963300124	/nfs/dbraw/zinc/30/01/24/963300124.db2.gz	JYKHUFCIHLQCAH-LBPRGKRZSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588672949	963300895	/nfs/dbraw/zinc/30/08/95/963300895.db2.gz	FYFSVZHMECPFPS-UHFFFAOYSA-N	-1	0	293.338	3.246	20	30		CGEDRM
C=C[C@@H](OC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1	ZINC001588712329	963303524	/nfs/dbraw/zinc/30/35/24/963303524.db2.gz	JCASATOAFJJNCK-GFCCVEGCSA-N	-1	0	286.283	3.370	20	30		CGEDRM
C=C[C@@H](OC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1	ZINC001588713365	963303976	/nfs/dbraw/zinc/30/39/76/963303976.db2.gz	VPPAQIVUEHRQKP-RBJHHQRMSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])CCCCC1	ZINC001588714911	963304933	/nfs/dbraw/zinc/30/49/33/963304933.db2.gz	PLUXHHPSEKAOEB-ZIAGYGMSSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588718849	963307127	/nfs/dbraw/zinc/30/71/27/963307127.db2.gz	HXOCSWDBPOCCKJ-CYBMUJFWSA-N	-1	0	288.347	3.266	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC001588772497	963313768	/nfs/dbraw/zinc/31/37/68/963313768.db2.gz	GFJWMUKMFDPZIO-LLVKDONJSA-N	-1	0	299.330	3.048	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(Cl)cc1C)C(=O)[O-]	ZINC001588793061	963314290	/nfs/dbraw/zinc/31/42/90/963314290.db2.gz	RPYWTRKCIJBVGK-ZDUSSCGKSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CCCCC(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21	ZINC001588781574	963315236	/nfs/dbraw/zinc/31/52/36/963315236.db2.gz	CLCZTLVHTRTEOP-UHFFFAOYSA-N	-1	0	287.359	3.329	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588785479	963316815	/nfs/dbraw/zinc/31/68/15/963316815.db2.gz	HKSSHRBJXNRHHG-LBPRGKRZSA-N	-1	0	276.332	3.215	20	30		CGEDRM
C=CCC1(NC(=O)c2cc(C)c(C(=O)[O-])o2)CCCCC1	ZINC001588767145	963317825	/nfs/dbraw/zinc/31/78/25/963317825.db2.gz	LNXCNZMAJSVCKB-UHFFFAOYSA-N	-1	0	291.347	3.295	20	30		CGEDRM
C=CCCCC(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588782745	963318461	/nfs/dbraw/zinc/31/84/61/963318461.db2.gz	MGSGCHBHBLNDOU-UHFFFAOYSA-N	-1	0	253.323	3.050	20	30		CGEDRM
CC#CCCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001588926955	963330605	/nfs/dbraw/zinc/33/06/05/963330605.db2.gz	FBBIUPPZFPYAGW-UHFFFAOYSA-N	-1	0	291.372	3.239	20	30		CGEDRM
CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cccc(CO)c1	ZINC001589016484	963345036	/nfs/dbraw/zinc/34/50/36/963345036.db2.gz	OLIODKRKTFVAIG-UHFFFAOYSA-N	-1	0	298.342	3.022	20	30		CGEDRM
CC(=NNc1cccc2cnccc21)c1cc(C(=O)[O-])co1	ZINC001589017455	963345933	/nfs/dbraw/zinc/34/59/33/963345933.db2.gz	QNFUEUBYINQJQF-UHFFFAOYSA-N	-1	0	295.298	3.362	20	30		CGEDRM
C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(C(=O)[O-])c1	ZINC001589175183	963349940	/nfs/dbraw/zinc/34/99/40/963349940.db2.gz	ROEIURWYSAWLHJ-CYBMUJFWSA-N	-1	0	294.354	3.449	20	30		CGEDRM
N#CCc1cccc(NCc2ccsc2C(=O)[O-])c1	ZINC000313477549	963645401	/nfs/dbraw/zinc/64/54/01/963645401.db2.gz	LAVMOHGRZUNPAV-UHFFFAOYSA-N	-1	0	272.329	3.124	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000315000595	963841840	/nfs/dbraw/zinc/84/18/40/963841840.db2.gz	WKVPWTBWXWSVJJ-UHFFFAOYSA-N	-1	0	290.363	3.417	20	30		CGEDRM
CC(C)(C(=O)[O-])c1cccc(OCc2ccc(C#N)o2)c1	ZINC001589649001	964010077	/nfs/dbraw/zinc/01/00/77/964010077.db2.gz	JNXOCLIXSQLDIO-UHFFFAOYSA-N	-1	0	285.299	3.092	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(Nc2ncc(C#N)cc2F)cc1	ZINC001589641549	964013060	/nfs/dbraw/zinc/01/30/60/964013060.db2.gz	WVOAJACWKIOXCV-UHFFFAOYSA-N	-1	0	299.305	3.198	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001588440769	964045677	/nfs/dbraw/zinc/04/56/77/964045677.db2.gz	PVGZNSRBGJLJSA-UHFFFAOYSA-N	-1	0	297.713	3.309	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NCCCCCC(=O)[O-])c1	ZINC001588444910	964065806	/nfs/dbraw/zinc/06/58/06/964065806.db2.gz	YKZDTQFTJNSBNV-UHFFFAOYSA-N	-1	0	290.363	3.486	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCc1ccc(CC#N)cc1	ZINC000399143365	973193492	/nfs/dbraw/zinc/19/34/92/973193492.db2.gz	VTSIEMKZJNBWLC-UHFFFAOYSA-N	-1	0	281.311	3.338	20	30		CGEDRM
C[C@H](CC#N)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001592210194	977253675	/nfs/dbraw/zinc/25/36/75/977253675.db2.gz	BKBKZFADUBMOMY-SNVBAGLBSA-N	-1	0	282.299	3.026	20	30		CGEDRM
C[C@@H](CC#N)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21	ZINC001592211671	977263367	/nfs/dbraw/zinc/26/33/67/977263367.db2.gz	MMJHVQRSVKWTNN-JTQLQIEISA-N	-1	0	282.299	3.026	20	30		CGEDRM
C[C@H](CCC#N)CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC001592471921	978234821	/nfs/dbraw/zinc/23/48/21/978234821.db2.gz	WVYXAEZJIKXJIV-SECBINFHSA-N	-1	0	266.728	3.390	20	30		CGEDRM
CCCC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595631298	981836784	/nfs/dbraw/zinc/83/67/84/981836784.db2.gz	KBFPEEKWELNXFP-BXUZGUMPSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCCC[C@H](S[C@H](C#N)Cc1ccccc1)C(=O)[O-]	ZINC001595652629	982035533	/nfs/dbraw/zinc/03/55/33/982035533.db2.gz	VWCOONWSQATDID-KBPBESRZSA-N	-1	0	277.389	3.498	20	30		CGEDRM
CCCC[C@H](Sc1snc(Cl)c1C#N)C(=O)[O-]	ZINC001595656880	982057128	/nfs/dbraw/zinc/05/71/28/982057128.db2.gz	GWBVKEGGHVMVTK-ZETCQYMHSA-N	-1	0	290.797	3.404	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)c1cc(C(=O)[O-])on1	ZINC001595704597	982277120	/nfs/dbraw/zinc/27/71/20/982277120.db2.gz	CHTNQLVTJZVQSL-UHFFFAOYSA-N	-1	0	296.367	3.195	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1	ZINC001596194261	983576816	/nfs/dbraw/zinc/57/68/16/983576816.db2.gz	GLVFNTSCJCCJJU-HJWRWDBZSA-N	-1	0	299.326	3.330	20	30		CGEDRM
CCOc1ccc(/C=N/[C@H](C[C@@H](C)CC)C(=O)[O-])c(O)c1	ZINC001597081233	986623917	/nfs/dbraw/zinc/62/39/17/986623917.db2.gz	DTUAEFMVGCTFAD-RUECKKTJSA-N	-1	0	293.363	3.099	20	30		CGEDRM
CCOc1ccc(/C=N\[C@H](C[C@H](C)CC)C(=O)[O-])c(O)c1	ZINC001597081229	986624059	/nfs/dbraw/zinc/62/40/59/986624059.db2.gz	DTUAEFMVGCTFAD-HVIMTOHBSA-N	-1	0	293.363	3.099	20	30		CGEDRM
CCc1ccc(C(=O)[O-])c(OC(=O)c2ccc(C#N)cc2)c1	ZINC001597506556	988076047	/nfs/dbraw/zinc/07/60/47/988076047.db2.gz	GKBKTAFTWDDVHI-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
CCc1oc(C=NNc2cccc(C)c2)cc1C(=O)[O-]	ZINC001597793274	989343187	/nfs/dbraw/zinc/34/31/87/989343187.db2.gz	YZRVIYQWGWNGIP-UHFFFAOYSA-N	-1	0	272.304	3.295	20	30		CGEDRM
C[C@]1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CC=CCC1	ZINC001593812793	996544613	/nfs/dbraw/zinc/54/46/13/996544613.db2.gz	JZZFMRQROSACSA-KRWDZBQOSA-N	-1	0	299.326	3.046	20	30		CGEDRM
COCc1cc(NC2CCC(C#N)CC2)cc(C(=O)[O-])c1	ZINC001599288078	997014779	/nfs/dbraw/zinc/01/47/79/997014779.db2.gz	PTHHOOQFJLXJRE-UHFFFAOYSA-N	-1	0	288.347	3.025	20	30		CGEDRM
C[C@@]1(CN=Nc2cccc(F)c2C(=O)[O-])CCCS1	ZINC001593995906	997297878	/nfs/dbraw/zinc/29/78/78/997297878.db2.gz	APYGBSYZFJQTTK-ZDUSSCGKSA-N	-1	0	282.340	3.207	20	30		CGEDRM
COc1cc(CNc2ccc(C)c(C(=O)[O-])c2)ccc1C#N	ZINC001599418093	997544826	/nfs/dbraw/zinc/54/48/26/997544826.db2.gz	CHAGQUBBESXRHU-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
COc1ccc(C#N)cc1N[C@H](C)CC(C)(C)CC(=O)[O-]	ZINC001599477018	998549078	/nfs/dbraw/zinc/54/90/78/998549078.db2.gz	UFZMSBIXCGOYAA-LLVKDONJSA-N	-1	0	290.363	3.258	20	30		CGEDRM
Cc1nsc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1C#N	ZINC000593326624	347063930	/nfs/dbraw/zinc/06/39/30/347063930.db2.gz	IEWDJHZNGSQTJL-YPMHNXCESA-N	-1	0	299.355	3.048	20	30		CGEDRM
Cc1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000334518924	346494673	/nfs/dbraw/zinc/49/46/73/346494673.db2.gz	FVQAIYZJGVHHLR-VIFPVBQESA-N	-1	0	262.359	3.312	20	30		CGEDRM
C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1cccc(C#N)c1	ZINC000587988977	346744157	/nfs/dbraw/zinc/74/41/57/346744157.db2.gz	URSOVHRVYKUJOT-ZETCQYMHSA-N	-1	0	298.293	3.024	20	30		CGEDRM
Cc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cn1	ZINC000594483109	347176988	/nfs/dbraw/zinc/17/69/88/347176988.db2.gz	BSMKTZOHDRHFQM-UHFFFAOYSA-N	-1	0	298.390	3.094	20	30		CGEDRM
CC(C)(C)c1[n-]n(C[C@@H]2C[C@H]3C[C@H]3C2)c(=O)c1CCC#N	ZINC000596260638	347406979	/nfs/dbraw/zinc/40/69/79/347406979.db2.gz	NEUIAUAZXAUOEH-CLLJXQQHSA-N	-1	0	287.407	3.388	20	30		CGEDRM
CC(C)OC1CCC(Nc2nc(C#N)c(Cl)s2)CC1	ZINC000596175195	347394519	/nfs/dbraw/zinc/39/45/19/347394519.db2.gz	PMFXFEKUSLAKBP-UHFFFAOYSA-N	-1	0	299.827	3.238	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCC3)cc1Cl	ZINC000601946506	347927818	/nfs/dbraw/zinc/92/78/18/347927818.db2.gz	AUTOXTBKOWHUDC-GFCCVEGCSA-N	-1	0	287.750	3.495	20	30		CGEDRM
Cc1[n-]n(-c2cccc(Cl)c2C)c(=O)c1CCC#N	ZINC000603920995	348102899	/nfs/dbraw/zinc/10/28/99/348102899.db2.gz	JOFCDOYLRPBTSC-LLVKDONJSA-N	-1	0	275.739	3.291	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C	ZINC000604691066	348127720	/nfs/dbraw/zinc/12/77/20/348127720.db2.gz	ZHRGTESFGPSWOW-ZDUSSCGKSA-N	-1	0	290.326	3.065	20	30		CGEDRM
C=CCC1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCCC1	ZINC000619110819	349205551	/nfs/dbraw/zinc/20/55/51/349205551.db2.gz	JPKVEGCFAJLNNL-UHFFFAOYSA-N	-1	0	299.292	3.428	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-]	ZINC000630182624	350816377	/nfs/dbraw/zinc/81/63/77/350816377.db2.gz	OIGUDVLLFRBFRQ-OAHLLOKOSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-]	ZINC000630317886	350823357	/nfs/dbraw/zinc/82/33/57/350823357.db2.gz	UZQFJIUNWMSEEX-HNNXBMFYSA-N	-1	0	289.375	3.034	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634927577	351604914	/nfs/dbraw/zinc/60/49/14/351604914.db2.gz	SWQQUJPQRBGCCE-KGLIPLIRSA-N	-1	0	293.407	3.273	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(C)C)nc2)n1	ZINC000121865189	370901343	/nfs/dbraw/zinc/90/13/43/370901343.db2.gz	NLUKZCGLBKOTJV-LBPRGKRZSA-N	-1	0	285.372	3.460	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NCCCCCC(=O)[O-]	ZINC000052856093	369474139	/nfs/dbraw/zinc/47/41/39/369474139.db2.gz	ZXRIZEAMIZCBEQ-UHFFFAOYSA-N	-1	0	266.728	3.269	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(C)=O)ccc2[O-])CCC1	ZINC000276578038	193387092	/nfs/dbraw/zinc/38/70/92/193387092.db2.gz	BLICLIMTXVDKIJ-UHFFFAOYSA-N	-1	0	273.332	3.280	20	30		CGEDRM
CS[C@@H]1CCC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000117107605	370577830	/nfs/dbraw/zinc/57/78/30/370577830.db2.gz	XKXPXHJBQQJMAV-RLYUOEPHSA-N	-1	0	294.376	3.394	20	30		CGEDRM
C=CCCC1(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC1	ZINC000574379691	335014568	/nfs/dbraw/zinc/01/45/68/335014568.db2.gz	CXBHBXXMZSYWRJ-UHFFFAOYSA-N	-1	0	293.370	3.250	20	30		CGEDRM
C=C(C)CNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000154296749	371833712	/nfs/dbraw/zinc/83/37/12/371833712.db2.gz	IFRDPSZJBSVPDM-UHFFFAOYSA-N	-1	0	260.120	3.005	20	30		CGEDRM
CC(C)(C#N)CCCCSc1n[n-]c(=NC2CC2)s1	ZINC000436125897	372829383	/nfs/dbraw/zinc/82/93/83/372829383.db2.gz	KRFOFOGDBOOYTH-UHFFFAOYSA-N	-1	0	296.465	3.346	20	30		CGEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1	ZINC000442873354	373113408	/nfs/dbraw/zinc/11/34/08/373113408.db2.gz	OTVNCLRPJXPOJC-UHFFFAOYSA-N	-1	0	280.327	3.239	20	30		CGEDRM
CC(C)c1n[n-]c(=N[C@H](CCC#N)c2ccccc2)o1	ZINC000450385454	374094940	/nfs/dbraw/zinc/09/49/40/374094940.db2.gz	CXZZWHPEOSFODA-CYBMUJFWSA-N	-1	0	270.336	3.072	20	30		CGEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000183634042	374436843	/nfs/dbraw/zinc/43/68/43/374436843.db2.gz	UMZDCTMXPSAYHA-MEBBXXQBSA-N	-1	0	292.766	3.248	20	30		CGEDRM
Cc1cc(CN=c2[n-]nc(C(C)(C)C)s2)ccc1C#N	ZINC000331343978	374524178	/nfs/dbraw/zinc/52/41/78/374524178.db2.gz	PFHBVCCXJMVGMV-UHFFFAOYSA-N	-1	0	286.404	3.050	20	30		CGEDRM
N#Cc1cscc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000334405688	374722123	/nfs/dbraw/zinc/72/21/23/374722123.db2.gz	GFKCEZNTIGMYOQ-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
N#Cc1ccsc1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000335015630	375073031	/nfs/dbraw/zinc/07/30/31/375073031.db2.gz	SLABPIWJJAWDPG-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
COc1c(C)ccc(NC(=O)c2ccc(C#N)c([O-])c2)c1C	ZINC000188285162	375190502	/nfs/dbraw/zinc/19/05/02/375190502.db2.gz	XTNQTMIPCSBJLT-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ns1	ZINC000519581762	375846146	/nfs/dbraw/zinc/84/61/46/375846146.db2.gz	QWJBNEMTCJPGME-SECBINFHSA-N	-1	0	283.312	3.083	20	30		CGEDRM
N#Cc1cccc(C2(C(=O)Nc3cccc(O)c3F)CC2)c1	ZINC000336629066	375888815	/nfs/dbraw/zinc/88/88/15/375888815.db2.gz	AQZBBIYLJQLWKJ-UHFFFAOYSA-N	-1	0	296.301	3.073	20	30		CGEDRM
C=CCOc1ccc(CN=c2[n-]nc(C(C)C)s2)cc1	ZINC000343244092	377938407	/nfs/dbraw/zinc/93/84/07/377938407.db2.gz	BYKXNIPOMJOEPJ-UHFFFAOYSA-N	-1	0	289.404	3.260	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/C=C\c1ccccc1	ZINC000349895109	379439663	/nfs/dbraw/zinc/43/96/63/379439663.db2.gz	PNISEVCACYCHMM-MVTUOISNSA-N	-1	0	276.295	3.378	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)co1	ZINC000362116783	381884459	/nfs/dbraw/zinc/88/44/59/381884459.db2.gz	ICCPMXZOIWYQPA-NSHDSACASA-N	-1	0	294.232	3.492	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000398018568	542619247	/nfs/dbraw/zinc/61/92/47/542619247.db2.gz	BCKZNXUCHQLFTG-CYBMUJFWSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000192891594	130559170	/nfs/dbraw/zinc/55/91/70/130559170.db2.gz	VEDSTDWLJUZIIO-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
N#CC(=C([O-])c1cc(C#N)cs1)c1nc(C2CC2)cs1	ZINC000647378289	392711579	/nfs/dbraw/zinc/71/15/79/392711579.db2.gz	LOCINHPURHNPFQ-JTQLQIEISA-N	-1	0	299.380	3.444	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)s1)c1nc(C2CC2)cs1	ZINC000647378201	392711915	/nfs/dbraw/zinc/71/19/15/392711915.db2.gz	DQCWOCHAOLVCAK-JTQLQIEISA-N	-1	0	299.380	3.444	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)n[nH]1	ZINC000338177011	392899883	/nfs/dbraw/zinc/89/98/83/392899883.db2.gz	AOCMAQVRJRPTEG-SNVBAGLBSA-N	-1	0	296.355	3.072	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000355241450	393276407	/nfs/dbraw/zinc/27/64/07/393276407.db2.gz	QNDSNXRQHKUFGU-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000647120978	393342115	/nfs/dbraw/zinc/34/21/15/393342115.db2.gz	NUYKZCFPWUEHTD-UHFFFAOYSA-N	-1	0	269.291	3.003	20	30		CGEDRM
CCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C	ZINC000443126469	393745092	/nfs/dbraw/zinc/74/50/92/393745092.db2.gz	ZEYHFIPGBYXHTM-UHFFFAOYSA-N	-1	0	280.327	3.387	20	30		CGEDRM
N#CC(=C([O-])c1ccccc1)c1nc2ccccc2o1	ZINC000041546161	397612042	/nfs/dbraw/zinc/61/20/42/397612042.db2.gz	ZLUPIUIQYRVLNL-GFCCVEGCSA-N	-1	0	262.268	3.318	20	30		CGEDRM
CCC(CC)(CC(=O)Nc1scc(C)c1C#N)C(=O)[O-]	ZINC000285075865	196191121	/nfs/dbraw/zinc/19/11/21/196191121.db2.gz	KXGHHVWIJLCUAK-UHFFFAOYSA-N	-1	0	294.376	3.148	20	30		CGEDRM
Cc1c2cccc(C)c2oc1C([O-])=C(C#N)c1ccncn1	ZINC000354466011	227003728	/nfs/dbraw/zinc/00/37/28/227003728.db2.gz	MDRLOXXGMLMKOW-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
N#CC(=C([O-])c1ccc(-c2cccs2)o1)c1ccncn1	ZINC000354470232	227005823	/nfs/dbraw/zinc/00/58/23/227005823.db2.gz	NFCLMSZXPADXDG-JTQLQIEISA-N	-1	0	295.323	3.288	20	30		CGEDRM
N#Cc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1F	ZINC000355909453	228046358	/nfs/dbraw/zinc/04/63/58/228046358.db2.gz	SVSNZCSCAFMCRQ-RQOWECAXSA-N	-1	0	274.276	3.022	20	30		CGEDRM
N#Cc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1F	ZINC000355909451	228046644	/nfs/dbraw/zinc/04/66/44/228046644.db2.gz	SVSNZCSCAFMCRQ-DUXPYHPUSA-N	-1	0	274.276	3.022	20	30		CGEDRM
CCCCCCCCOCC(=O)[N-]OCc1cccnc1	ZINC000269544996	262971367	/nfs/dbraw/zinc/97/13/67/262971367.db2.gz	ZRTCOCYWAWCPSW-UHFFFAOYSA-N	-1	0	294.395	3.007	20	30		CGEDRM
C=CCC(C)(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000340119454	263072809	/nfs/dbraw/zinc/07/28/09/263072809.db2.gz	OAVMSTJGKFCCST-UHFFFAOYSA-N	-1	0	293.417	3.229	20	30		CGEDRM
C=C[C@@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-]	ZINC000340879633	263311327	/nfs/dbraw/zinc/31/13/27/263311327.db2.gz	OQJBZYHQKASZAI-GFCCVEGCSA-N	-1	0	299.374	3.006	20	30		CGEDRM
Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1	ZINC000357809608	266370032	/nfs/dbraw/zinc/37/00/32/266370032.db2.gz	PPHDDVQDLHQVSE-LLVKDONJSA-N	-1	0	281.340	3.125	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nccc2ccccc21	ZINC000429563487	268207374	/nfs/dbraw/zinc/20/73/74/268207374.db2.gz	CDHLSMAAHSVUKC-AWEZNQCLSA-N	-1	0	287.278	3.190	20	30		CGEDRM
C=CCN(CCC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000293927946	328278571	/nfs/dbraw/zinc/27/85/71/328278571.db2.gz	NHCKBZIJXSUHFP-UHFFFAOYSA-N	-1	0	268.719	3.086	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000194681325	329687780	/nfs/dbraw/zinc/68/77/80/329687780.db2.gz	OFHSDHUNMKFWSM-VIFPVBQESA-N	-1	0	283.312	3.083	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000262064501	329996048	/nfs/dbraw/zinc/99/60/48/329996048.db2.gz	DLHVBZQSWGZPKZ-HUUCEWRRSA-N	-1	0	293.407	3.295	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000448997774	330890594	/nfs/dbraw/zinc/89/05/94/330890594.db2.gz	GWCAYGXLRKTFPH-GXTWGEPZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C[C@H](F)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000505547453	332743760	/nfs/dbraw/zinc/74/37/60/332743760.db2.gz	QOJGEQXSTNQEQM-JTQLQIEISA-N	-1	0	267.348	3.090	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000186828347	518700315	/nfs/dbraw/zinc/70/03/15/518700315.db2.gz	WWAWQIMQRNEDNN-UHFFFAOYSA-N	-1	0	283.318	3.489	20	30		CGEDRM
Cc1ccsc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000357569248	534455666	/nfs/dbraw/zinc/45/56/66/534455666.db2.gz	QNYVCNLHLFTMTG-SNAWJCMRSA-N	-1	0	270.313	3.192	20	30		CGEDRM
C=CCCC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000262244713	534625881	/nfs/dbraw/zinc/62/58/81/534625881.db2.gz	WLPQMQAWBPSURE-HNNXBMFYSA-N	-1	0	295.766	3.112	20	30		CGEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)cc2ccccc21	ZINC000334902701	529270683	/nfs/dbraw/zinc/27/06/83/529270683.db2.gz	XEUVDBQXPUISNM-ZDUSSCGKSA-N	-1	0	288.372	3.192	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CCCOc2ccccc21	ZINC000728425914	571805443	/nfs/dbraw/zinc/80/54/43/571805443.db2.gz	OYZHACNKNBTZGS-UHFFFAOYSA-N	-1	0	296.326	3.374	20	30		CGEDRM
CC(Cc1cccs1)N=Nc1ccccc1C(=O)[O-]	ZINC000729635460	571925793	/nfs/dbraw/zinc/92/57/93/571925793.db2.gz	VILMTJZXPDBSNW-UHFFFAOYSA-N	-1	0	274.345	3.477	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000742432665	572354822	/nfs/dbraw/zinc/35/48/22/572354822.db2.gz	ZIDIHAMPBYWGDC-NSCUHMNNSA-N	-1	0	279.342	3.107	20	30		CGEDRM
COc1ccc(O)c(C=Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC000738041902	572363243	/nfs/dbraw/zinc/36/32/43/572363243.db2.gz	OZKQHDQQUYNZNC-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
CCCCCCCC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1	ZINC000739328598	572410568	/nfs/dbraw/zinc/41/05/68/572410568.db2.gz	DQKCQQZGTNHLEQ-ZDUSSCGKSA-N	-1	0	298.427	3.242	20	30		CGEDRM
Cc1cc(C)cc(N=NC2CCC[C@H]2CNC(=O)[O-])c1	ZINC000740068001	572430876	/nfs/dbraw/zinc/43/08/76/572430876.db2.gz	ZHVPEVAEYHTRTR-LBPRGKRZSA-N	-1	0	275.352	3.139	20	30		CGEDRM
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-]	ZINC000737695268	572560171	/nfs/dbraw/zinc/56/01/71/572560171.db2.gz	OFUMXDURMBNWBM-LLVKDONJSA-N	-1	0	282.299	3.236	20	30		CGEDRM
C=C(Cl)CS[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735402569	572719693	/nfs/dbraw/zinc/71/96/93/572719693.db2.gz	XJYVFJXKKGDTNV-SECBINFHSA-N	-1	0	280.784	3.413	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736096048	572767942	/nfs/dbraw/zinc/76/79/42/572767942.db2.gz	GHKHSDWJXLUCJR-QMMMGPOBSA-N	-1	0	281.287	3.002	20	30		CGEDRM
C#CCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1	ZINC000736089580	572768120	/nfs/dbraw/zinc/76/81/20/572768120.db2.gz	NSOZCQUGOVTVKA-MRXNPFEDSA-N	-1	0	299.301	3.076	20	30		CGEDRM
C=CCCC(=O)Oc1ccc(C(=O)[O-])cc1Br	ZINC000736097343	572769044	/nfs/dbraw/zinc/76/90/44/572769044.db2.gz	ISDOUNUASFQGLU-UHFFFAOYSA-N	-1	0	299.120	3.019	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000736098088	572769188	/nfs/dbraw/zinc/76/91/88/572769188.db2.gz	RLEFNEPFTWQEHI-UHFFFAOYSA-N	-1	0	277.324	3.206	20	30		CGEDRM
CCCC[C@H](Nc1cc(C#N)ccc1OCC)C(=O)[O-]	ZINC000736982104	572831604	/nfs/dbraw/zinc/83/16/04/572831604.db2.gz	LLFLWFYPPTYQNN-LBPRGKRZSA-N	-1	0	276.336	3.012	20	30		CGEDRM
Cc1cscc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000747690408	572940990	/nfs/dbraw/zinc/94/09/90/572940990.db2.gz	JFMQDYCSYUBIMP-UHFFFAOYSA-N	-1	0	262.290	3.421	20	30		CGEDRM
C=CC1(CC(=O)NCc2cc(C(=O)[O-])co2)CCCCC1	ZINC000899297010	620636922	/nfs/dbraw/zinc/63/69/22/620636922.db2.gz	FRMPAXAJIIRCFL-UHFFFAOYSA-N	-1	0	291.347	3.121	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147322750	600284427	/nfs/dbraw/zinc/28/44/27/600284427.db2.gz	DCDNXWLGBCKFDJ-UHFFFAOYSA-N	-1	0	294.738	3.244	20	30		CGEDRM
COc1cccc(O)c1C=Nc1ccc(C)c(C(=O)[O-])c1	ZINC000832563002	601177643	/nfs/dbraw/zinc/17/76/43/601177643.db2.gz	RTRGAERUESABNI-UHFFFAOYSA-N	-1	0	285.299	3.158	20	30		CGEDRM
Cc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F	ZINC000832949203	601297913	/nfs/dbraw/zinc/29/79/13/601297913.db2.gz	PUPOJDDXCHNRPU-HNNXBMFYSA-N	-1	0	284.290	3.244	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000830094623	601331669	/nfs/dbraw/zinc/33/16/69/601331669.db2.gz	RVGJRVPWFSLEQH-VQHVLOKHSA-N	-1	0	285.299	3.008	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCc3cc(F)ccc3C2=O)[nH]1	ZINC000833312697	601332896	/nfs/dbraw/zinc/33/28/96/601332896.db2.gz	TXJYVSFEJVHRGC-NTMALXAHSA-N	-1	0	285.274	3.065	20	30		CGEDRM
CCC[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209187	601351874	/nfs/dbraw/zinc/35/18/74/601351874.db2.gz	SBSKARHRAYQCBT-IAQYHMDHSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCC[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209186	601351944	/nfs/dbraw/zinc/35/19/44/601351944.db2.gz	SBSKARHRAYQCBT-ABAIWWIYSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C=CCCCC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000825664939	601452226	/nfs/dbraw/zinc/45/22/26/601452226.db2.gz	QUOFWPODULIKKG-GJZGRUSLSA-N	-1	0	293.407	3.225	20	30		CGEDRM
Cc1cc(NCCCC(C)(C)C#N)ccc1C(=O)[O-]	ZINC000832896866	601909099	/nfs/dbraw/zinc/90/90/99/601909099.db2.gz	GZCXNWXHCBXSLC-UHFFFAOYSA-N	-1	0	260.337	3.435	20	30		CGEDRM
CC(C)(C#N)CCCOc1ccc(CC(=O)[O-])cc1	ZINC000087596447	601932789	/nfs/dbraw/zinc/93/27/89/601932789.db2.gz	GTMCHYXXUUROBP-UHFFFAOYSA-N	-1	0	261.321	3.022	20	30		CGEDRM
C=C(C)CCOC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823475101	603518236	/nfs/dbraw/zinc/51/82/36/603518236.db2.gz	VQLJLSSWGKDUGZ-OCCSQVGLSA-N	-1	0	291.347	3.141	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)cc2F)c(=O)c1CCC#N	ZINC000899360920	620666830	/nfs/dbraw/zinc/66/68/30/620666830.db2.gz	RBLAZMXUSZMEJU-JTQLQIEISA-N	-1	0	279.702	3.122	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1C)OCC	ZINC000833367137	604542098	/nfs/dbraw/zinc/54/20/98/604542098.db2.gz	IWILLBNWBOCVIP-AWEZNQCLSA-N	-1	0	291.347	3.003	20	30		CGEDRM
Cc1cccc(C)c1OCc1cccc(C(=O)[O-])c1C#N	ZINC000833752659	604546872	/nfs/dbraw/zinc/54/68/72/604546872.db2.gz	PWXFNDWWJAQMAS-UHFFFAOYSA-N	-1	0	281.311	3.452	20	30		CGEDRM
CC(=NO[C@@H]1CCCCO1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814887666	604547994	/nfs/dbraw/zinc/54/79/94/604547994.db2.gz	QGZXVTXKCLOGJZ-SMDDNHRTSA-N	-1	0	271.357	3.187	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(Nc2cccc(C#N)n2)cc1	ZINC000833419489	604557305	/nfs/dbraw/zinc/55/73/05/604557305.db2.gz	VDEPBVRHQSTCPO-UHFFFAOYSA-N	-1	0	281.315	3.059	20	30		CGEDRM
CC(=CN=Nc1ccc(C(=O)[O-])cn1)Cc1ccccc1	ZINC000763367604	604665976	/nfs/dbraw/zinc/66/59/76/604665976.db2.gz	CTRUMASJVRQWEX-AGEXOYPBSA-N	-1	0	281.315	3.281	20	30		CGEDRM
C=C[C@@H](CC(=O)N[C@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000761649046	604771318	/nfs/dbraw/zinc/77/13/18/604771318.db2.gz	ISSPEXNABMJPEF-SUMWQHHRSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C#CCOc1ccc(F)cc1NCc1ccc(C(=O)[O-])cc1	ZINC000833367251	604774999	/nfs/dbraw/zinc/77/49/99/604774999.db2.gz	SWJGSRWQCKXZPM-UHFFFAOYSA-N	-1	0	299.301	3.148	20	30		CGEDRM
C=CCCCC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1	ZINC000833373684	604974953	/nfs/dbraw/zinc/97/49/53/604974953.db2.gz	XYIPWLKOLACCMY-OAHLLOKOSA-N	-1	0	289.375	3.407	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC=CCc1ccccc1	ZINC000812442447	605101057	/nfs/dbraw/zinc/10/10/57/605101057.db2.gz	CDVIBJYNZGEXEX-VFXUPEKQSA-N	-1	0	266.300	3.496	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC=CCc1ccco1	ZINC000833783692	605102022	/nfs/dbraw/zinc/10/20/22/605102022.db2.gz	DBXNXDAMVPAPGJ-DIBKDCFRSA-N	-1	0	256.261	3.089	20	30		CGEDRM
C#CCCCSCc1ccc(C(=O)[O-])c(F)c1	ZINC000833362520	605180858	/nfs/dbraw/zinc/18/08/58/605180858.db2.gz	WLFJMMBJRIYGBV-UHFFFAOYSA-N	-1	0	252.310	3.171	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)C1CC1	ZINC000833375477	605283508	/nfs/dbraw/zinc/28/35/08/605283508.db2.gz	ZUSHNWOMMJZZMM-UHFFFAOYSA-N	-1	0	293.298	3.098	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000398107241	605412485	/nfs/dbraw/zinc/41/24/85/605412485.db2.gz	WNOZZWYLMVUIFA-CYBMUJFWSA-N	-1	0	296.411	3.066	20	30		CGEDRM
CC(C)(C)c1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)cc1	ZINC000814901078	605594930	/nfs/dbraw/zinc/59/49/30/605594930.db2.gz	XLRIIOFGGWXGEC-UHFFFAOYSA-N	-1	0	285.347	3.456	20	30		CGEDRM
C#CCCCCCC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000833361529	605625431	/nfs/dbraw/zinc/62/54/31/605625431.db2.gz	ACYXJZFNKVQTMZ-LSDHHAIUSA-N	-1	0	293.407	3.110	20	30		CGEDRM
C#CCCCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000833362126	605673500	/nfs/dbraw/zinc/67/35/00/605673500.db2.gz	ZWKGKPMDAYJWGF-OAHLLOKOSA-N	-1	0	292.306	3.078	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1cc(C(=O)[O-])ccc1F	ZINC000833483324	605837813	/nfs/dbraw/zinc/83/78/13/605837813.db2.gz	IBOSOPHHYXWZCW-UHFFFAOYSA-N	-1	0	292.354	3.286	20	30		CGEDRM
Cc1csc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1C#N	ZINC000899783099	620727133	/nfs/dbraw/zinc/72/71/33/620727133.db2.gz	TWIVXTFWOOMWDX-JTQLQIEISA-N	-1	0	294.376	3.004	20	30		CGEDRM
N#Cc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)s1	ZINC000177448886	617932249	/nfs/dbraw/zinc/93/22/49/617932249.db2.gz	TZYQHANNMYIGEV-GGWOSOGESA-N	-1	0	288.353	3.344	20	30		CGEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513466	617613560	/nfs/dbraw/zinc/61/35/60/617613560.db2.gz	IRFKPZFEJMLMEM-UHFFFAOYSA-N	-1	0	287.406	3.024	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc([O-])c(F)c1	ZINC000175326249	617675913	/nfs/dbraw/zinc/67/59/13/617675913.db2.gz	NRTFGNDGIRPTMM-HNQUOIGGSA-N	-1	0	294.228	3.411	20	30		CGEDRM
O=C(/C=C\c1cccnc1Cl)c1ccc([O-])c(F)c1	ZINC000255509910	618637338	/nfs/dbraw/zinc/63/73/38/618637338.db2.gz	HGTXDMPNGMWUSE-HYXAFXHYSA-N	-1	0	277.682	3.476	20	30		CGEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1cccc(O)c1	ZINC000255568473	618714378	/nfs/dbraw/zinc/71/43/78/618714378.db2.gz	ZPVQFROXVJWSPZ-XQRVVYSFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2ccccc2[O-])cn1	ZINC000176953457	618769572	/nfs/dbraw/zinc/76/95/72/618769572.db2.gz	CAZINXRJSSWBFJ-BQYQJAHWSA-N	-1	0	256.305	3.066	20	30		CGEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(F)c1	ZINC000179731246	618800303	/nfs/dbraw/zinc/80/03/03/618800303.db2.gz	HHXOWRVUGBCNPU-UHFFFAOYSA-N	-1	0	298.317	3.319	20	30		CGEDRM
O=C(C#Cc1ccccc1)Nc1cccc(Cl)c1[O-]	ZINC000179724765	618800337	/nfs/dbraw/zinc/80/03/37/618800337.db2.gz	LAYFPWRQJAKUTK-UHFFFAOYSA-N	-1	0	271.703	3.036	20	30		CGEDRM
CCCCCCCC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000311394616	618906263	/nfs/dbraw/zinc/90/62/63/618906263.db2.gz	DJWKWAOTDDKQJS-UHFFFAOYSA-N	-1	0	269.385	3.203	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2nccc3ccccc32)c1	ZINC000176823600	618984652	/nfs/dbraw/zinc/98/46/52/618984652.db2.gz	QEHVBHSBSKEDMV-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CC(=NOC(C)C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853353459	618987169	/nfs/dbraw/zinc/98/71/69/618987169.db2.gz	BVNHATZTTZINCU-UHFFFAOYSA-N	-1	0	279.336	3.321	20	30		CGEDRM
CC(C)OC(=O)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000103716724	619070718	/nfs/dbraw/zinc/07/07/18/619070718.db2.gz	ICTWHGYLVZMNNZ-PJQLUOCWSA-N	-1	0	290.146	3.070	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1c(Cl)cccc1Cl	ZINC000092466728	619095093	/nfs/dbraw/zinc/09/50/93/619095093.db2.gz	LKCJHKUXLDEXPZ-UHFFFAOYSA-N	-1	0	274.147	3.066	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518936	619502854	/nfs/dbraw/zinc/50/28/54/619502854.db2.gz	BKAMBIKCMRJKGV-UHFFFAOYSA-N	-1	0	289.784	3.421	20	30		CGEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519358	619504081	/nfs/dbraw/zinc/50/40/81/619504081.db2.gz	CYNVUZNXWSWTFT-UHFFFAOYSA-N	-1	0	295.404	3.443	20	30		CGEDRM
Cc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1	ZINC000008322904	620372425	/nfs/dbraw/zinc/37/24/25/620372425.db2.gz	XHFXAODUGSFKRI-MDZDMXLPSA-N	-1	0	296.322	3.355	20	30		CGEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(F)c(C#N)c2)n1	ZINC000901020381	620827896	/nfs/dbraw/zinc/82/78/96/620827896.db2.gz	UJSJIZISUBZTSC-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
C#Cc1cccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])c1	ZINC000901449220	620890443	/nfs/dbraw/zinc/89/04/43/620890443.db2.gz	IJJWRMHXLPDPCY-LBPRGKRZSA-N	-1	0	259.349	3.359	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cncn2C(C)C)c([O-])c1	ZINC000901483966	620908698	/nfs/dbraw/zinc/90/86/98/620908698.db2.gz	YNCGAFPMMPXDEU-FNORWQNLSA-N	-1	0	270.332	3.374	20	30		CGEDRM
C=CCC[C@H](N[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901690773	620990571	/nfs/dbraw/zinc/99/05/71/620990571.db2.gz	QPIGYEDYTLZJME-KBPBESRZSA-N	-1	0	297.345	3.262	20	30		CGEDRM
C=CCCCCCN(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000901786968	621026563	/nfs/dbraw/zinc/02/65/63/621026563.db2.gz	UIKJQTNUDWZZFL-LUAWRHEFSA-N	-1	0	291.347	3.196	20	30		CGEDRM
C[C@@H]1COC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000905003243	622027770	/nfs/dbraw/zinc/02/77/70/622027770.db2.gz	PWTWPIJDENWFFL-LNAFZJSBSA-N	-1	0	274.147	3.153	20	30		CGEDRM
N#C[C@]1(C(=O)[N-]OC2CCCCC2)CC2CCC1CC2	ZINC000907542263	622301319	/nfs/dbraw/zinc/30/13/19/622301319.db2.gz	BGZLRBNOQZAIJU-SEEARECTSA-N	-1	0	276.380	3.087	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000908219351	622333857	/nfs/dbraw/zinc/33/38/57/622333857.db2.gz	GIIIFPODRXAJBY-UHFFFAOYSA-N	-1	0	275.348	3.122	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000909223021	622407964	/nfs/dbraw/zinc/40/79/64/622407964.db2.gz	LUHKAFDMJFJCCW-HNNXBMFYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CCC1(CNC(=O)c2oc(C(=O)[O-])cc2C)CCCC1	ZINC000910240563	622469377	/nfs/dbraw/zinc/46/93/77/622469377.db2.gz	ASZSPDZBMYHVPT-UHFFFAOYSA-N	-1	0	291.347	3.153	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC000910291105	622473098	/nfs/dbraw/zinc/47/30/98/622473098.db2.gz	CWZCUJGPDDITMR-LBPRGKRZSA-N	-1	0	295.766	3.106	20	30		CGEDRM
C=C1CCC(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CC1	ZINC000910361021	622477753	/nfs/dbraw/zinc/47/77/53/622477753.db2.gz	PDIMIEZNQYDZTD-CQSZACIVSA-N	-1	0	299.370	3.338	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000910473867	622487994	/nfs/dbraw/zinc/48/79/94/622487994.db2.gz	QVORMNOGMGSSON-VBQJREDUSA-N	-1	0	287.359	3.018	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cn1	ZINC000156611403	622830517	/nfs/dbraw/zinc/83/05/17/622830517.db2.gz	NALLAVMQZBXYJL-RMKNXTFCSA-N	-1	0	278.311	3.175	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])s1	ZINC000156714975	622840950	/nfs/dbraw/zinc/84/09/50/622840950.db2.gz	LNBTVDZPEXRACT-GQCTYLIASA-N	-1	0	273.288	3.361	20	30		CGEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000157199830	622875532	/nfs/dbraw/zinc/87/55/32/622875532.db2.gz	OGAPRFYUJGXFHP-RMKNXTFCSA-N	-1	0	269.256	3.197	20	30		CGEDRM
C[C@@H](C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl	ZINC000817440135	625612198	/nfs/dbraw/zinc/61/21/98/625612198.db2.gz	WSGNGONNQTUDFZ-LURJTMIESA-N	-1	0	293.100	3.113	20	30		CGEDRM
COCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000060802472	623070857	/nfs/dbraw/zinc/07/08/57/623070857.db2.gz	TZBLOZZUCDJIFP-VGOFMYFVSA-N	-1	0	262.136	3.154	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@H]3CCCC[C@H]3C2)n1	ZINC000916241423	624124045	/nfs/dbraw/zinc/12/40/45/624124045.db2.gz	AIYIXTPWCOBKAG-NEPJUHHUSA-N	-1	0	274.368	3.249	20	30		CGEDRM
Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)c(C)c1	ZINC000916255202	624126165	/nfs/dbraw/zinc/12/61/65/624126165.db2.gz	JOZZMIQOZLIWQA-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
CCc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255282	624126311	/nfs/dbraw/zinc/12/63/11/624126311.db2.gz	ORWOVRFVODDEJP-UHFFFAOYSA-N	-1	0	268.316	3.393	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccccc2Cl)cc1	ZINC000916262439	624132012	/nfs/dbraw/zinc/13/20/12/624132012.db2.gz	FVBGVGLHBRPUHP-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2F)n1	ZINC000916843810	624217685	/nfs/dbraw/zinc/21/76/85/624217685.db2.gz	KJSGCIKYRQIJER-DGMVEKRQSA-N	-1	0	286.331	3.480	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2o1	ZINC000916875194	624221423	/nfs/dbraw/zinc/22/14/23/624221423.db2.gz	VNRWXVWBGZQISP-ZDUSSCGKSA-N	-1	0	298.342	3.062	20	30		CGEDRM
Cc1ncc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)s1	ZINC000917532626	624283730	/nfs/dbraw/zinc/28/37/30/624283730.db2.gz	NJQLFMDSTWCLHD-UHFFFAOYSA-N	-1	0	295.751	3.249	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C(C)(C)C)n2)n1	ZINC000873495176	634390164	/nfs/dbraw/zinc/39/01/64/634390164.db2.gz	DQQZVIGUPVKHEJ-VIFPVBQESA-N	-1	0	289.360	3.227	20	30		CGEDRM
Cc1cc(C)cc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000921252197	624576816	/nfs/dbraw/zinc/57/68/16/624576816.db2.gz	DCKCDLJRBFSVLC-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
O=C1c2ccccc2C/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000175315947	624628016	/nfs/dbraw/zinc/62/80/16/624628016.db2.gz	ZXIFDZDAFBFFKL-WZUFQYTHSA-N	-1	0	272.250	3.493	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000751134715	626377379	/nfs/dbraw/zinc/37/73/79/626377379.db2.gz	OTFBKHPSEJAHAQ-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
CCCCCC(C)(C)CNS(=O)(=O)c1ccc(C#N)o1	ZINC000805033197	626447164	/nfs/dbraw/zinc/44/71/64/626447164.db2.gz	GHOFDIVMZGMIQW-UHFFFAOYSA-N	-1	0	298.408	3.036	20	30		CGEDRM
Cc1cccc2c1O/C(=C/c1ccc(O)c(F)c1)C2=O	ZINC000755594387	626630570	/nfs/dbraw/zinc/63/05/70/626630570.db2.gz	SORRHHVBSHKUJP-RIYZIHGNSA-N	-1	0	270.259	3.456	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)c([O-])c1	ZINC000755599095	626631111	/nfs/dbraw/zinc/63/11/11/626631111.db2.gz	OWDGQJIOOMNLQT-ZZXKWVIFSA-N	-1	0	272.275	3.441	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C1CCCC1	ZINC000756905507	626740344	/nfs/dbraw/zinc/74/03/44/626740344.db2.gz	BVVGSBMQYNFNGP-UHFFFAOYSA-N	-1	0	276.336	3.371	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)C(C)C	ZINC000756899297	626740356	/nfs/dbraw/zinc/74/03/56/626740356.db2.gz	UXVMRICIVXUHMW-UHFFFAOYSA-N	-1	0	264.325	3.227	20	30		CGEDRM
O=C(/C=C1\COc2ccc(F)cc21)c1cc(F)ccc1[O-]	ZINC000757467333	626780702	/nfs/dbraw/zinc/78/07/02/626780702.db2.gz	DJKLCPBDQQGVPQ-WEVVVXLNSA-N	-1	0	288.249	3.329	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2nc(Cl)cs2)s1	ZINC000759075748	626873093	/nfs/dbraw/zinc/87/30/93/626873093.db2.gz	JCHMGIRZGJOBRE-RJRFIUFISA-N	-1	0	299.760	3.452	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCc3sccc32)c1	ZINC000759714117	626917854	/nfs/dbraw/zinc/91/78/54/626917854.db2.gz	VTWNBYDYLKPNIA-LBPRGKRZSA-N	-1	0	298.367	3.384	20	30		CGEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000835531982	634535383	/nfs/dbraw/zinc/53/53/83/634535383.db2.gz	LQGWXLZVJFCBSC-UHFFFAOYSA-N	-1	0	289.441	3.126	20	30		CGEDRM
CCC(N=Nc1ccc(C)cn1)c1ccc(C(=O)[O-])cc1	ZINC000760249122	626947777	/nfs/dbraw/zinc/94/77/77/626947777.db2.gz	RZOLOFRDQOADIK-UHFFFAOYSA-N	-1	0	283.331	3.314	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NCC2CCC(C)(C)CC2)n1	ZINC000764640450	627216004	/nfs/dbraw/zinc/21/60/04/627216004.db2.gz	LPJFKVSBBBGBRR-UHFFFAOYSA-N	-1	0	262.357	3.105	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000765822612	627273574	/nfs/dbraw/zinc/27/35/74/627273574.db2.gz	AZSOLZZDDHNTHE-SNAWJCMRSA-N	-1	0	283.308	3.214	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000765822607	627273756	/nfs/dbraw/zinc/27/37/56/627273756.db2.gz	AZSOLZZDDHNTHE-PLNGDYQASA-N	-1	0	283.308	3.214	20	30		CGEDRM
CCO[C@H]1CCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000766428034	627330796	/nfs/dbraw/zinc/33/07/96/627330796.db2.gz	AGPHHZMLEPDDCL-ZDUSSCGKSA-N	-1	0	296.754	3.395	20	30		CGEDRM
Cc1cccc2c1OC/C(=C/c1cccc(C(=O)[O-])c1)C2=O	ZINC000774127965	627949142	/nfs/dbraw/zinc/94/91/42/627949142.db2.gz	YJVSDRBODDXKLB-ZROIWOOFSA-N	-1	0	294.306	3.352	20	30		CGEDRM
Cc1ccc(CCCN=Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000774300249	627974054	/nfs/dbraw/zinc/97/40/54/627974054.db2.gz	CBPPEHSPKSMFCQ-UHFFFAOYSA-N	-1	0	283.331	3.119	20	30		CGEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)C1CCSCC1	ZINC000777419204	628269010	/nfs/dbraw/zinc/26/90/10/628269010.db2.gz	WCAUSURAYILYKH-UHFFFAOYSA-N	-1	0	278.377	3.316	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782206930	628624802	/nfs/dbraw/zinc/62/48/02/628624802.db2.gz	MEAZPGWPSZCDSP-IHWYPQMZSA-N	-1	0	262.286	3.244	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000782322254	628638572	/nfs/dbraw/zinc/63/85/72/628638572.db2.gz	FPSCSGONVMRGFO-DUXPYHPUSA-N	-1	0	291.303	3.185	20	30		CGEDRM
CS[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000783681567	628739178	/nfs/dbraw/zinc/73/91/78/628739178.db2.gz	HUMYFBSCUPWGDP-ATDKOCKZSA-N	-1	0	296.392	3.497	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000783776903	628747761	/nfs/dbraw/zinc/74/77/61/628747761.db2.gz	MHWUCZWMXOMODY-LBPRGKRZSA-N	-1	0	282.727	3.005	20	30		CGEDRM
CC[C@@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000783862133	628752259	/nfs/dbraw/zinc/75/22/59/628752259.db2.gz	IJJRZJWGWXJLEC-VXGBXAGGSA-N	-1	0	275.352	3.394	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)CCC=C3)c1	ZINC000788304329	629045294	/nfs/dbraw/zinc/04/52/94/629045294.db2.gz	GOPUGZXDHWLNQP-UHFFFAOYSA-N	-1	0	290.322	3.476	20	30		CGEDRM
Cc1ccc2nc(/C=C\C(=O)c3ccc(F)cc3[O-])cn2c1	ZINC000789141968	629107609	/nfs/dbraw/zinc/10/76/09/629107609.db2.gz	IMHIDJWDXQWFBZ-XQRVVYSFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
C[C@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1	ZINC000789147875	629107954	/nfs/dbraw/zinc/10/79/54/629107954.db2.gz	LKQSTEHEDYNVTA-BXETVTBUSA-N	-1	0	294.310	3.241	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(Cl)cs2)n1	ZINC000789393014	629129402	/nfs/dbraw/zinc/12/94/02/629129402.db2.gz	NSTSHNWLDFWOJL-LURJTMIESA-N	-1	0	283.765	3.052	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@@H](CC(C)C)C1)C(=O)[O-]	ZINC000793071308	629407403	/nfs/dbraw/zinc/40/74/03/629407403.db2.gz	HRXXXIIJFJVXLF-WCQYABFASA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@H](NN=Cc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-]	ZINC000793073372	629408083	/nfs/dbraw/zinc/40/80/83/629408083.db2.gz	UHNBXDZVAMCDHQ-AWEZNQCLSA-N	-1	0	286.331	3.042	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)CCCCCCC)C(=O)[O-]	ZINC000864181728	629792763	/nfs/dbraw/zinc/79/27/63/629792763.db2.gz	FWOPZGQWLYYQPL-LLVKDONJSA-N	-1	0	275.776	3.059	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)/C=C\C1CCCCCC1)C(=O)[O-]	ZINC000864187311	629795807	/nfs/dbraw/zinc/79/58/07/629795807.db2.gz	IUAGSCFSXFJNHR-CFYYFVFUSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](CCCC)C(C)C)C(=O)[O-]	ZINC000864186811	629795885	/nfs/dbraw/zinc/79/58/85/629795885.db2.gz	XYTTVBMMLGUPPE-RYUDHWBXSA-N	-1	0	289.803	3.161	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)CCCCC)C(=O)[O-]	ZINC000864187499	629795979	/nfs/dbraw/zinc/79/59/79/629795979.db2.gz	MIQRJVXOQWTLBZ-CHWSQXEVSA-N	-1	0	269.385	3.129	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@@H]2CCCS2)c1	ZINC000864347007	629815352	/nfs/dbraw/zinc/81/53/52/629815352.db2.gz	IJPSCBDUWGUIJK-IGVUGNCQSA-N	-1	0	280.349	3.005	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1C#N	ZINC000799497668	630191259	/nfs/dbraw/zinc/19/12/59/630191259.db2.gz	YHZLZOUQVDUYGA-VQHVLOKHSA-N	-1	0	279.295	3.169	20	30		CGEDRM
Cn1cnc(/C=C\C(=O)c2cc(Cl)c(Cl)cc2[O-])c1	ZINC000800794295	630297995	/nfs/dbraw/zinc/29/79/95/630297995.db2.gz	BIRXJSQSPAUXPC-IHWYPQMZSA-N	-1	0	297.141	3.329	20	30		CGEDRM
O=C([O-])[C@H]1C/C(=C/c2cccc(O)c2)C(=O)c2ccccc21	ZINC000806562874	630566757	/nfs/dbraw/zinc/56/67/57/630566757.db2.gz	PXRQTVCZAJBRIB-LJEUOOAZSA-N	-1	0	294.306	3.230	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2nc(Cl)cs2)c1	ZINC000806558626	630566907	/nfs/dbraw/zinc/56/69/07/630566907.db2.gz	HUOKUVMXALWNAR-PLNGDYQASA-N	-1	0	293.731	3.391	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NN[C@@H]2CCSC2)cc1Cl	ZINC000808000177	630614469	/nfs/dbraw/zinc/61/44/69/630614469.db2.gz	GQXBOLXWDINOCS-MRVPVSSYSA-N	-1	0	291.203	3.128	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000811691382	631110226	/nfs/dbraw/zinc/11/02/26/631110226.db2.gz	LZNOUXHSOKLCOU-CMDGGOBGSA-N	-1	0	267.259	3.299	20	30		CGEDRM
CCOc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000812442153	631261824	/nfs/dbraw/zinc/26/18/24/631261824.db2.gz	RRDAGMCSYFSKEL-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1	ZINC000837048436	634847876	/nfs/dbraw/zinc/84/78/76/634847876.db2.gz	RWHOIIUSZUJXKL-GFCCVEGCSA-N	-1	0	287.281	3.433	20	30		CGEDRM
COC1(CC(C)N=Nc2ccc(C(=O)[O-])cc2)CCC1	ZINC000814680715	631620929	/nfs/dbraw/zinc/62/09/29/631620929.db2.gz	FWOHBRKHZKHUAK-UHFFFAOYSA-N	-1	0	276.336	3.132	20	30		CGEDRM
CCc1nc2ccccc2n1N=Cc1cccc(C(=O)[O-])c1	ZINC000814786778	631639882	/nfs/dbraw/zinc/63/98/82/631639882.db2.gz	BURYPOZQMQEETF-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1cc(C(=O)[O-])cs1	ZINC000814803228	631642871	/nfs/dbraw/zinc/64/28/71/631642871.db2.gz	NQSCAJXIOKYYKP-UHFFFAOYSA-N	-1	0	285.328	3.154	20	30		CGEDRM
N#Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2Cl)cc1	ZINC000814803624	631643003	/nfs/dbraw/zinc/64/30/03/631643003.db2.gz	VQZKUVXWFRIOHY-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
C[C@H]1C(N=Nc2cc(F)cc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814813068	631647009	/nfs/dbraw/zinc/64/70/09/631647009.db2.gz	HHZZFEOCRCPOOK-BDAKNGLRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NNC1CCCC1	ZINC000814832758	631652173	/nfs/dbraw/zinc/65/21/73/631652173.db2.gz	MQQHBVBBZOGWJP-UHFFFAOYSA-N	-1	0	254.374	3.320	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCCCc1ccccc1	ZINC000814837687	631652598	/nfs/dbraw/zinc/65/25/98/631652598.db2.gz	HDAWSIXBYJWDPG-ZFWWWQNUSA-N	-1	0	288.391	3.086	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cnnc2ccccc12	ZINC000814849364	631654845	/nfs/dbraw/zinc/65/48/45/631654845.db2.gz	RRNPNCSGGFKMBH-UHFFFAOYSA-N	-1	0	298.346	3.063	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCCC3)nc1	ZINC000814889825	631666780	/nfs/dbraw/zinc/66/67/80/631666780.db2.gz	AXPIRZUWQJDION-UHFFFAOYSA-N	-1	0	273.336	3.292	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H]1CCOC(C)(C)C1	ZINC000814908338	631676063	/nfs/dbraw/zinc/67/60/63/631676063.db2.gz	NZQMAASPLXOFJB-AWEZNQCLSA-N	-1	0	298.427	3.335	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000814923175	631684241	/nfs/dbraw/zinc/68/42/41/631684241.db2.gz	AMGSLHLXOZFCBM-BXUZGUMPSA-N	-1	0	291.347	3.089	20	30		CGEDRM
C[C@H]1CC(N=Nc2cccc(Cl)n2)CC[C@H]1C(=O)[O-]	ZINC000814939638	631694151	/nfs/dbraw/zinc/69/41/51/631694151.db2.gz	XRYOPCQGITUASF-WCBMZHEXSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC(=NNCC(=O)[O-])c1ccc(C2CCCCC2)cc1	ZINC000814959166	631697798	/nfs/dbraw/zinc/69/77/98/631697798.db2.gz	RBZPXKRJGXGPJB-UHFFFAOYSA-N	-1	0	274.364	3.133	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000819433585	632459101	/nfs/dbraw/zinc/45/91/01/632459101.db2.gz	OTKDDYZQTNILTP-PWSUYJOCSA-N	-1	0	258.321	3.029	20	30		CGEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=C3CCC3)nc21	ZINC000820086350	632570028	/nfs/dbraw/zinc/57/00/28/632570028.db2.gz	ZUBOLUKPUIBDDG-LLVKDONJSA-N	-1	0	283.306	3.455	20	30		CGEDRM
CCCCCCCC(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000823341508	633091445	/nfs/dbraw/zinc/09/14/45/633091445.db2.gz	YLCWWEANXLJBFR-HNNXBMFYSA-N	-1	0	271.401	3.353	20	30		CGEDRM
CCN(C(=O)c1cc(Cl)cc(Cl)c1[O-])[C@H](C)C#N	ZINC000825634072	633368963	/nfs/dbraw/zinc/36/89/63/633368963.db2.gz	DHMICIZZBDWGIC-SSDOTTSWSA-N	-1	0	287.146	3.073	20	30		CGEDRM
CC1=C(C)C[C@](C)(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000828148263	633573250	/nfs/dbraw/zinc/57/32/50/633573250.db2.gz	NQQPNNQWVGYLAD-QGZVFWFLSA-N	-1	0	284.359	3.495	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)/C(F)=C/C2CCCCC2)c1	ZINC000870690184	633626434	/nfs/dbraw/zinc/62/64/34/633626434.db2.gz	JYHUHMMAPHCMFR-GDNBJRDFSA-N	-1	0	288.322	3.402	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1	ZINC000829618973	633757745	/nfs/dbraw/zinc/75/77/45/633757745.db2.gz	OAOOSTAIUFVQLP-TWGQIWQCSA-N	-1	0	299.326	3.330	20	30		CGEDRM
CCCc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1CC	ZINC000871954548	633925757	/nfs/dbraw/zinc/92/57/57/633925757.db2.gz	LJKJGFHBHZZHAR-SNVBAGLBSA-N	-1	0	290.754	3.136	20	30		CGEDRM
CCCC[C@](C)(F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831271781	633935409	/nfs/dbraw/zinc/93/54/09/633935409.db2.gz	MJIBCPGGPMTVBV-AWEZNQCLSA-N	-1	0	264.300	3.121	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)C1CCCC1	ZINC000834966251	634296766	/nfs/dbraw/zinc/29/67/66/634296766.db2.gz	FOJSICRNSXRYJF-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC(C)=CCCC(C)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006198	634311690	/nfs/dbraw/zinc/31/16/90/634311690.db2.gz	AYTKSMKBUJHBDT-UHFFFAOYSA-N	-1	0	261.325	3.314	20	30		CGEDRM
C[C@H]1CC[C@@H](CN=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835007877	634312449	/nfs/dbraw/zinc/31/24/49/634312449.db2.gz	AXORKLRCGBWDEO-VHSXEESVSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C[C@@H]1CC[C@@H](C)C(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835009962	634314587	/nfs/dbraw/zinc/31/45/87/634314587.db2.gz	JKYUBBUTWMHDLH-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	ZINC000837043661	634845996	/nfs/dbraw/zinc/84/59/96/634845996.db2.gz	DTJZAGWLANGRPD-CYBMUJFWSA-N	-1	0	277.364	3.120	20	30		CGEDRM
CC(C)(C)C#CC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000837536719	634929456	/nfs/dbraw/zinc/92/94/56/634929456.db2.gz	BRCAPKSGLZEPCL-UHFFFAOYSA-N	-1	0	269.703	3.173	20	30		CGEDRM
COc1ccc2c(c1)O/C(=C\c1cccc(C(=O)[O-])c1)C2=O	ZINC000126460211	635024271	/nfs/dbraw/zinc/02/42/71/635024271.db2.gz	KZVMUDDFJHKRMX-NVNXTCNLSA-N	-1	0	296.278	3.010	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3C=C[C@@H]2CC3)c(F)c1	ZINC000842536763	635395829	/nfs/dbraw/zinc/39/58/29/635395829.db2.gz	YXDGAGXXVRNVID-VHSXEESVSA-N	-1	0	274.295	3.278	20	30		CGEDRM
C[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845833693	636104672	/nfs/dbraw/zinc/10/46/72/636104672.db2.gz	HUNOXPWRSJERSC-JLLWLGSASA-N	-1	0	287.384	3.174	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccccc1Cl	ZINC000846538239	636195002	/nfs/dbraw/zinc/19/50/02/636195002.db2.gz	GTWPMGAWKKACQI-UHFFFAOYSA-N	-1	0	267.756	3.242	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccccc2F)CCCC1	ZINC000846538466	636195483	/nfs/dbraw/zinc/19/54/83/636195483.db2.gz	RHIHWSWMYFHZPH-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1Cl	ZINC000846545533	636198400	/nfs/dbraw/zinc/19/84/00/636198400.db2.gz	HFIYHCURCGBHCI-CMPLNLGQSA-N	-1	0	283.755	3.120	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]O[C@@H](C)C=C)c1ccccc1	ZINC000846547738	636198806	/nfs/dbraw/zinc/19/88/06/636198806.db2.gz	FLTKHDQVQXNHTN-DZGCQCFKSA-N	-1	0	259.349	3.359	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](Sc1ccccc1)C(C)C	ZINC000846547410	636198915	/nfs/dbraw/zinc/19/89/15/636198915.db2.gz	ACIBZCYMEVWNPW-JSGCOSHPSA-N	-1	0	279.405	3.426	20	30		CGEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H]1C[C@@H]1C	ZINC000848413894	636570506	/nfs/dbraw/zinc/57/05/06/636570506.db2.gz	DVDULVGPLYHGQS-GXFFZTMASA-N	-1	0	260.337	3.148	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CS1	ZINC000848414350	636570610	/nfs/dbraw/zinc/57/06/10/636570610.db2.gz	MQIMNFRJIYQYJG-AWEZNQCLSA-N	-1	0	292.404	3.243	20	30		CGEDRM
C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(CC(=O)[O-])cc2)o1	ZINC000848416046	636571163	/nfs/dbraw/zinc/57/11/63/636571163.db2.gz	XBHIOVAZFHYWLE-NHYWBVRUSA-N	-1	0	298.342	3.476	20	30		CGEDRM
Cc1c(N=NC2CC[C@@H](C)SC2)cccc1C(=O)[O-]	ZINC000848415661	636571236	/nfs/dbraw/zinc/57/12/36/636571236.db2.gz	WYSBLRGBAPANDB-SECBINFHSA-N	-1	0	278.377	3.377	20	30		CGEDRM
CC(C)(CCC#N)CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415946	636571450	/nfs/dbraw/zinc/57/14/50/636571450.db2.gz	UBOIARLTONZWDL-UHFFFAOYSA-N	-1	0	273.336	3.041	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC[C@H]2CC=CCC2)cc1	ZINC000848414784	636571751	/nfs/dbraw/zinc/57/17/51/636571751.db2.gz	CZOVGKMDOWBICK-ZDUSSCGKSA-N	-1	0	258.321	3.068	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CC3(CCC3)C2)cc1	ZINC000848414758	636571766	/nfs/dbraw/zinc/57/17/66/636571766.db2.gz	CJIQJGFEVKDNBN-UHFFFAOYSA-N	-1	0	258.321	3.046	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2C=CCC2)c1[O-]	ZINC000849170918	636763840	/nfs/dbraw/zinc/76/38/40/636763840.db2.gz	WTMJZHYDLRZGHW-UQDQQJHMSA-N	-1	0	266.684	3.091	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000851599665	637457839	/nfs/dbraw/zinc/45/78/39/637457839.db2.gz	ABERCZZZWGIAML-KGLIPLIRSA-N	-1	0	283.412	3.306	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC2(Cl)Cl)cc1F	ZINC000853354261	637822316	/nfs/dbraw/zinc/82/23/16/637822316.db2.gz	BTLKMKRUWYZWGQ-LURJTMIESA-N	-1	0	291.109	3.115	20	30		CGEDRM
O=C([O-])c1ccc(N=NCC2CCSCC2)c(F)c1	ZINC000853354483	637823379	/nfs/dbraw/zinc/82/33/79/637823379.db2.gz	LGMZTPHAIXHLOD-UHFFFAOYSA-N	-1	0	282.340	3.065	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1cc(Cl)cc(F)c1[O-]	ZINC000853379222	637829041	/nfs/dbraw/zinc/82/90/41/637829041.db2.gz	HDPIBAHHGMYEAB-VIFPVBQESA-N	-1	0	270.735	3.393	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccnc(Cl)c1	ZINC000853395090	637835159	/nfs/dbraw/zinc/83/51/59/637835159.db2.gz	KKSHDSDZEHTDSN-UHFFFAOYSA-N	-1	0	281.743	3.168	20	30		CGEDRM
C#CCO[N-]C(=O)C1(c2ccc(C(C)C)cc2)CCCC1	ZINC000855603527	638221995	/nfs/dbraw/zinc/22/19/95/638221995.db2.gz	QNXAJSUYJFSIQY-UHFFFAOYSA-N	-1	0	285.387	3.303	20	30		CGEDRM
O=C(/C=C\c1ccc2c(c1)OCCO2)c1ccccc1[O-]	ZINC000035377366	638960566	/nfs/dbraw/zinc/96/05/66/638960566.db2.gz	YHHQYEGIPUJTNX-ALCCZGGFSA-N	-1	0	282.295	3.060	20	30		CGEDRM
C#CCN(C(=O)c1cc(F)cc(F)c1[O-])C1CCCCC1	ZINC000930958442	639091717	/nfs/dbraw/zinc/09/17/17/639091717.db2.gz	DAEDKGPOLUXXOX-UHFFFAOYSA-N	-1	0	293.313	3.079	20	30		CGEDRM
CC(C)CCN(CCC#N)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000931942540	639239706	/nfs/dbraw/zinc/23/97/06/639239706.db2.gz	WAEAZTAOZXCODQ-UHFFFAOYSA-N	-1	0	296.317	3.072	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)c(C)c1	ZINC000042244233	639913658	/nfs/dbraw/zinc/91/36/58/639913658.db2.gz	MPLBHQCPJOYWND-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1cccc(C)c1	ZINC000042343844	639916737	/nfs/dbraw/zinc/91/67/37/639916737.db2.gz	CDWZIJLMALYMGR-UHFFFAOYSA-N	-1	0	283.393	3.014	20	30		CGEDRM
O=C([O-])c1ccccc1CN=NC(=S)Nc1ccccc1	ZINC000254760289	640914559	/nfs/dbraw/zinc/91/45/59/640914559.db2.gz	WIYRMWYUCHYYHR-UHFFFAOYSA-N	-1	0	299.355	3.117	20	30		CGEDRM
CCCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1C#N	ZINC001253715235	806281937	/nfs/dbraw/zinc/28/19/37/806281937.db2.gz	GBZTZHQLRGOANA-UHFFFAOYSA-N	-1	0	293.175	3.017	20	30		CGEDRM
CCCCCCCCCCc1cn(CCC(=O)[O-])nn1	ZINC001254094274	806342023	/nfs/dbraw/zinc/34/20/23/806342023.db2.gz	PNJNMKUGNMHXEM-UHFFFAOYSA-N	-1	0	281.400	3.436	20	30		CGEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000046927339	798891128	/nfs/dbraw/zinc/89/11/28/798891128.db2.gz	HKPFKSFVGSHUDJ-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000046927903	798891422	/nfs/dbraw/zinc/89/14/22/798891422.db2.gz	LDHCWFJOQLVRBG-UHFFFAOYSA-N	-1	0	269.366	3.221	20	30		CGEDRM
CC(C)C[C@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176398164	799094700	/nfs/dbraw/zinc/09/47/00/799094700.db2.gz	XWZWLKYXMYPUKO-NSHDSACASA-N	-1	0	260.337	3.275	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2cccc(Cl)c2)c1	ZINC000176402370	799096970	/nfs/dbraw/zinc/09/69/70/799096970.db2.gz	GXBBDFFPLNUCFI-UHFFFAOYSA-N	-1	0	286.718	3.098	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000316430724	799240813	/nfs/dbraw/zinc/24/08/13/799240813.db2.gz	JHQKALTVENIWNL-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1F	ZINC000588384536	799685675	/nfs/dbraw/zinc/68/56/75/799685675.db2.gz	APIKWHJTXLDZFY-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
O=C(/C=C\c1ccc(F)nc1)c1cc(Cl)ccc1[O-]	ZINC000588524133	799707105	/nfs/dbraw/zinc/70/71/05/799707105.db2.gz	XFTHSQBQXBCDEV-RJRFIUFISA-N	-1	0	277.682	3.476	20	30		CGEDRM
N#Cc1cc(F)cc(NCc2ccc(F)c(F)c2[O-])c1	ZINC000718619828	800218305	/nfs/dbraw/zinc/21/83/05/800218305.db2.gz	TXIHEZQEZYNNQQ-UHFFFAOYSA-N	-1	0	278.233	3.293	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000809154368	800413841	/nfs/dbraw/zinc/41/38/41/800413841.db2.gz	UCROFSNXGSSIKS-DJWKRKHSSA-N	-1	0	298.294	3.001	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/Cc3ccc(F)cc3C2=O)ccc1O	ZINC000809154298	800413877	/nfs/dbraw/zinc/41/38/77/800413877.db2.gz	RDURTAMHXMMYHG-WZUFQYTHSA-N	-1	0	298.269	3.052	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/Cc3c(cccc3F)C2=O)ccc1O	ZINC000809154145	800413885	/nfs/dbraw/zinc/41/38/85/800413885.db2.gz	OANJBQZFCHQVPM-POHAHGRESA-N	-1	0	298.269	3.052	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC001119356398	802654372	/nfs/dbraw/zinc/65/43/72/802654372.db2.gz	IFRJFZXCEUOVIY-CYBMUJFWSA-N	-1	0	290.363	3.440	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(CCC(=O)[O-])cc3)nc2)CC1	ZINC001244187469	803233945	/nfs/dbraw/zinc/23/39/45/803233945.db2.gz	PVEITAFAARLXTQ-UHFFFAOYSA-N	-1	0	292.338	3.321	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2cc(F)c(CO)c(F)c2)c1	ZINC001244341805	803316182	/nfs/dbraw/zinc/31/61/82/803316182.db2.gz	NOIFNDDSPPOSKQ-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cc(F)c([O-])c(Cl)c2)n1	ZINC001244500325	803405980	/nfs/dbraw/zinc/40/59/80/803405980.db2.gz	KWIRPCIWSYYFIJ-UHFFFAOYSA-N	-1	0	295.726	3.235	20	30		CGEDRM
Cc1ccnc(-c2ccc(Cl)c([O-])c2F)c1C#N	ZINC001244631699	803474827	/nfs/dbraw/zinc/47/48/27/803474827.db2.gz	YISWDZKCNOSZQM-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cnc2cc(-c3cnc(F)c(C(=O)[O-])c3)ccc2c1	ZINC001244755481	803520711	/nfs/dbraw/zinc/52/07/11/803520711.db2.gz	VHFMCCFZNJZWAW-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cc(-c2ccc(C#N)c(C)n2)cc(C)c1C(=O)[O-]	ZINC001244944830	803586048	/nfs/dbraw/zinc/58/60/48/803586048.db2.gz	LGSMANNJPFTOQL-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cc(-c2cc(F)cnc2C#N)cc(C)c1C(=O)[O-]	ZINC001244947299	803587207	/nfs/dbraw/zinc/58/72/07/803587207.db2.gz	SSFQVIFMMDCXDF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
COC(=O)c1ccc(-c2cc(Cl)ccc2[O-])c(C#N)c1	ZINC001245051204	803622970	/nfs/dbraw/zinc/62/29/70/803622970.db2.gz	SHSYNAGTDJREIV-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211966636	814962775	/nfs/dbraw/zinc/96/27/75/814962775.db2.gz	IYRUZXUEKXFVFO-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
CC(C)(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])nc1	ZINC001137934427	803801980	/nfs/dbraw/zinc/80/19/80/803801980.db2.gz	XOEYGPKHURSNHK-UHFFFAOYSA-N	-1	0	295.342	3.209	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cc([O-])c(F)c(F)c3F)cnc12	ZINC001245639896	803877038	/nfs/dbraw/zinc/87/70/38/803877038.db2.gz	WGDGPSIUDLVNIJ-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3c([O-])cccc3F)c2c1	ZINC001245652208	803882653	/nfs/dbraw/zinc/88/26/53/803882653.db2.gz	UQCAILDTRADNSB-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1cc2c(nc1-c1c([O-])cccc1F)CCCC2	ZINC001245652416	803882894	/nfs/dbraw/zinc/88/28/94/803882894.db2.gz	DEFFUEKDIMDCSC-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
N#Cc1ccc2ncc(-c3c([O-])cccc3F)nc2c1	ZINC001245655555	803889262	/nfs/dbraw/zinc/88/92/62/803889262.db2.gz	ZOAJSALYYZLXEI-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1c(F)ccc([O-])c1Cl	ZINC001245828340	803982292	/nfs/dbraw/zinc/98/22/92/803982292.db2.gz	TWJJDDLQCXBLNX-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1nccc(-c2c(F)ccc([O-])c2Cl)c1C#N	ZINC001245833860	803989217	/nfs/dbraw/zinc/98/92/17/803989217.db2.gz	DVDZQVRNJCBDIC-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2c(F)cccc2F)cc1=O	ZINC001245933665	804062608	/nfs/dbraw/zinc/06/26/08/804062608.db2.gz	YGFPONRETOJQNH-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(Cc2ccccc2F)cc1=O	ZINC001245936605	804067204	/nfs/dbraw/zinc/06/72/04/804067204.db2.gz	YLJQVVPVVKKRGZ-UHFFFAOYSA-N	-1	0	293.301	3.179	20	30		CGEDRM
CC(C)(C#N)C(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001143401584	804848774	/nfs/dbraw/zinc/84/87/74/804848774.db2.gz	SBROCVKEDMACBK-UHFFFAOYSA-N	-1	0	273.119	3.187	20	30		CGEDRM
Cc1c(Cl)cc(NC(=O)C(C)(C)C#N)c([O-])c1Cl	ZINC001143401067	804849215	/nfs/dbraw/zinc/84/92/15/804849215.db2.gz	DCXGYMSIIIWJMW-UHFFFAOYSA-N	-1	0	287.146	3.496	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249965071	805332706	/nfs/dbraw/zinc/33/27/06/805332706.db2.gz	SYLPUUDZSOIFMK-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1C#N	ZINC001249964959	805332942	/nfs/dbraw/zinc/33/29/42/805332942.db2.gz	PVGOKWORZARXRM-UHFFFAOYSA-N	-1	0	289.216	3.296	20	30		CGEDRM
Cc1cc(Cc2cccc(C#N)c2)ccc1C(=O)[O-]	ZINC001250048563	805388645	/nfs/dbraw/zinc/38/86/45/805388645.db2.gz	CVAXHLBVDFEZCH-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#Cc1cccc(Cc2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001250050786	805389832	/nfs/dbraw/zinc/38/98/32/805389832.db2.gz	KELYUCATHBIDBT-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
N#Cc1ccc(Cc2c(F)cc(F)c([O-])c2F)cc1	ZINC001250054085	805392838	/nfs/dbraw/zinc/39/28/38/805392838.db2.gz	BUXIBTMAAGEXMI-UHFFFAOYSA-N	-1	0	263.218	3.272	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2ccc3ccncc3c2)c(O)c1	ZINC001154598390	805465926	/nfs/dbraw/zinc/46/59/26/805465926.db2.gz	IEBQJIRSCYQEHS-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212591528	815079627	/nfs/dbraw/zinc/07/96/27/815079627.db2.gz	QQENOFMEZHAGNN-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
Cc1nc(C#N)c(Nc2c(F)ccc([O-])c2Cl)o1	ZINC001250229238	805504903	/nfs/dbraw/zinc/50/49/03/805504903.db2.gz	DWZQATUKKRWYKJ-UHFFFAOYSA-N	-1	0	267.647	3.096	20	30		CGEDRM
N#Cc1cc(N)c(Nc2ccc(Cl)c([O-])c2)cc1C#N	ZINC001212593651	815081199	/nfs/dbraw/zinc/08/11/99/815081199.db2.gz	CKOTYAOYENDBSU-UHFFFAOYSA-N	-1	0	284.706	3.115	20	30		CGEDRM
N#C[C@H]1CC[C@H](Nc2ccccc2/C=C/C(=O)[O-])CC1	ZINC001167844217	807261070	/nfs/dbraw/zinc/26/10/70/807261070.db2.gz	BUAGKMMSMRVRKK-VVZIRHQTSA-N	-1	0	270.332	3.279	20	30		CGEDRM
N#CCCCCNc1ccc(Br)cc1C(=O)[O-]	ZINC001168428711	807412461	/nfs/dbraw/zinc/41/24/61/807412461.db2.gz	AYUDBXQSPIOOLC-UHFFFAOYSA-N	-1	0	297.152	3.253	20	30		CGEDRM
N#Cc1cc(Nc2cccc(CO)c2Cl)c([O-])cc1F	ZINC001212765085	815131462	/nfs/dbraw/zinc/13/14/62/815131462.db2.gz	INIZMBYNHOEOPR-UHFFFAOYSA-N	-1	0	292.697	3.292	20	30		CGEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc3occc32)c1	ZINC001259125745	807674935	/nfs/dbraw/zinc/67/49/35/807674935.db2.gz	PPMOXXZZJUUNJN-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
N#Cc1cc(NC2=CC[C@@H](C#N)CC2)c([O-])cc1F	ZINC001212865406	815165302	/nfs/dbraw/zinc/16/53/02/815165302.db2.gz	HYXJCHFDZSUVQG-SECBINFHSA-N	-1	0	257.268	3.022	20	30		CGEDRM
N#CC(=C([O-])C=C1CCCC1)c1ncc(F)cc1F	ZINC001263664612	807991958	/nfs/dbraw/zinc/99/19/58/807991958.db2.gz	HJGDPKVATQCZGV-LLVKDONJSA-N	-1	0	262.259	3.036	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cccc(C(C)=O)c1O	ZINC001263824132	808007797	/nfs/dbraw/zinc/00/77/97/808007797.db2.gz	DDQSBWNHEOPXBG-UHFFFAOYSA-N	-1	0	261.321	3.136	20	30		CGEDRM
COc1cccc(Nc2scc([O-])c2C#N)c1F	ZINC001173971177	808796117	/nfs/dbraw/zinc/79/61/17/808796117.db2.gz	MHUXDTMIDCXWRK-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
CC(=O)Nc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001173975913	808799465	/nfs/dbraw/zinc/79/94/65/808799465.db2.gz	ZLWPDZDUKNEOMS-UHFFFAOYSA-N	-1	0	273.317	3.027	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174495092	809042614	/nfs/dbraw/zinc/04/26/14/809042614.db2.gz	KTIMACNTDHCBTN-AATRIKPKSA-N	-1	0	279.299	3.103	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cc(C#N)ccc1C	ZINC001174677569	809127212	/nfs/dbraw/zinc/12/72/12/809127212.db2.gz	NBEYMUCSEZNSLC-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cc(C)ccc1C#N	ZINC001174678035	809127919	/nfs/dbraw/zinc/12/79/19/809127919.db2.gz	XOKTWIRFEZUYTE-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])s1	ZINC001174810438	809169281	/nfs/dbraw/zinc/16/92/81/809169281.db2.gz	NCXVSQSLASNUDQ-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1c(Nc2ccc(CC(=O)[O-])cc2)sc2c1CCC2	ZINC001174949680	809211285	/nfs/dbraw/zinc/21/12/85/809211285.db2.gz	OOGOXLIFKCSDMO-UHFFFAOYSA-N	-1	0	298.367	3.479	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(CC(=O)[O-])cc2)c(F)c1	ZINC001174954090	809214355	/nfs/dbraw/zinc/21/43/55/809214355.db2.gz	ZSIMDLBLVCPWMT-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC001175157087	809291358	/nfs/dbraw/zinc/29/13/58/809291358.db2.gz	DAYAUJIKXPBAJZ-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175162408	809294518	/nfs/dbraw/zinc/29/45/18/809294518.db2.gz	YUPDALNKAUZUHW-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CC(=O)c1ccc(F)c(Nc2scc([O-])c2C#N)c1	ZINC001175272270	809335335	/nfs/dbraw/zinc/33/53/35/809335335.db2.gz	PUYKEAUUZFBNBT-UHFFFAOYSA-N	-1	0	276.292	3.411	20	30		CGEDRM
N#Cc1cc(Nc2ccc(-n3cccn3)cc2)c([O-])cc1F	ZINC001175371003	809381815	/nfs/dbraw/zinc/38/18/15/809381815.db2.gz	JZZDVYNTUXUVPI-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
N#Cc1cc(F)c(Nc2cncc(C(=O)[O-])c2)c(Cl)c1	ZINC001175842407	809554119	/nfs/dbraw/zinc/55/41/19/809554119.db2.gz	FTEWBFGUCCGUPP-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1ccc(C)c(Nc2cncc(C(=O)[O-])c2)c1C#N	ZINC001175846391	809555449	/nfs/dbraw/zinc/55/54/49/809555449.db2.gz	BUILBCQWZIBEOU-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
COc1cc(Nc2ccc(C)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001213592415	815307951	/nfs/dbraw/zinc/30/79/51/815307951.db2.gz	GKJWDEJPWHWXAR-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cc(Nc2csc(C(=O)[O-])c2)ccc1F	ZINC001176435867	809696782	/nfs/dbraw/zinc/69/67/82/809696782.db2.gz	GARRYZASYGTISK-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1csc(C(=O)[O-])c1	ZINC001176437346	809697552	/nfs/dbraw/zinc/69/75/52/809697552.db2.gz	TXYVPZYHXAQRPO-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
CC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)c(C#N)c1	ZINC001176439855	809698658	/nfs/dbraw/zinc/69/86/58/809698658.db2.gz	AVUQMORZURCNTG-UHFFFAOYSA-N	-1	0	286.312	3.264	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176670877	809739307	/nfs/dbraw/zinc/73/93/07/809739307.db2.gz	OQNAKFOEQXVDER-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176712562	809746606	/nfs/dbraw/zinc/74/66/06/809746606.db2.gz	HRIOTZRQPNLQJH-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1	ZINC001213627854	815313916	/nfs/dbraw/zinc/31/39/16/815313916.db2.gz	QHNNKUJQSJHFFB-UHFFFAOYSA-N	-1	0	266.300	3.319	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1ccc(Cl)c([O-])c1	ZINC001180033041	809968777	/nfs/dbraw/zinc/96/87/77/809968777.db2.gz	UOUUQPPZHCSWAY-UHFFFAOYSA-N	-1	0	267.756	3.474	20	30		CGEDRM
CNc1ccc(C#N)cc1NC(=O)Cc1ccc([S-])cc1	ZINC001183189926	810139686	/nfs/dbraw/zinc/13/96/86/810139686.db2.gz	YGRMGTMNQFTXNG-UHFFFAOYSA-N	-1	0	297.383	3.070	20	30		CGEDRM
N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccsc2)c1	ZINC001185391819	810260642	/nfs/dbraw/zinc/26/06/42/810260642.db2.gz	SBHABFPMKPWOGL-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2ccc(O)cc2C)s1	ZINC001186167545	810318167	/nfs/dbraw/zinc/31/81/67/810318167.db2.gz	SECZXIFJJCJFNZ-UHFFFAOYSA-N	-1	0	272.329	3.195	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc([O-])c(C(F)(F)F)c1	ZINC001188577942	810488942	/nfs/dbraw/zinc/48/89/42/810488942.db2.gz	XVVNHCASKLJLPH-UHFFFAOYSA-N	-1	0	287.281	3.449	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2c(C)cccc2[O-])s1	ZINC001188638008	810496869	/nfs/dbraw/zinc/49/68/69/810496869.db2.gz	FUWOFQVBVUUVAO-UHFFFAOYSA-N	-1	0	272.329	3.195	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2cc(O)cc(Cl)c2)c1F	ZINC001190557388	810634262	/nfs/dbraw/zinc/63/42/62/810634262.db2.gz	SFXUCTULBAKQET-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(O)cc1C#N	ZINC001214276686	815392981	/nfs/dbraw/zinc/39/29/81/815392981.db2.gz	SLLJWLZPIGESBO-UHFFFAOYSA-N	-1	0	298.298	3.104	20	30		CGEDRM
Cc1ccc(CN(C)C(=O)c2cccc(C#N)c2[O-])cc1C	ZINC001193647278	810927554	/nfs/dbraw/zinc/92/75/54/810927554.db2.gz	YKUZLZWRPVXQDF-UHFFFAOYSA-N	-1	0	294.354	3.153	20	30		CGEDRM
CN(C(=O)c1ccc(C#N)cc1[O-])[C@@H]1CCc2ccccc21	ZINC001195751136	811286643	/nfs/dbraw/zinc/28/66/43/811286643.db2.gz	QODLGVGFRJRIQB-MRXNPFEDSA-N	-1	0	292.338	3.023	20	30		CGEDRM
N#Cc1ncccc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214738391	815447543	/nfs/dbraw/zinc/44/75/43/815447543.db2.gz	IPUWWWKKUWDKJQ-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201222547	811798655	/nfs/dbraw/zinc/79/86/55/811798655.db2.gz	ONFZEDMDZZWIQN-UHFFFAOYSA-N	-1	0	294.270	3.096	20	30		CGEDRM
N#Cc1c(F)c(Cl)ccc1Nc1cncc(O)c1	ZINC001201646383	811929369	/nfs/dbraw/zinc/92/93/69/811929369.db2.gz	FWAZFJHDHGTCHY-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001215280979	815502737	/nfs/dbraw/zinc/50/27/37/815502737.db2.gz	AJNOIKNBFQMQAT-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2cc(F)ccc2F)c1	ZINC001202659111	812147553	/nfs/dbraw/zinc/14/75/53/812147553.db2.gz	ZKDZVKILEHHLLO-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
C#Cc1cc(Nc2ccsc2C(=O)[O-])ccc1F	ZINC001215393941	815514784	/nfs/dbraw/zinc/51/47/84/815514784.db2.gz	BLUPAOOJZNLMAB-UHFFFAOYSA-N	-1	0	261.277	3.310	20	30		CGEDRM
N#CCc1ccccc1Nc1ccsc1C(=O)[O-]	ZINC001215396122	815516438	/nfs/dbraw/zinc/51/64/38/815516438.db2.gz	XVZAFRBYLPRKLS-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccsc1C(=O)[O-]	ZINC001215397206	815516747	/nfs/dbraw/zinc/51/67/47/815516747.db2.gz	CKFNSFVIRHXAPQ-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])cc2F)c1F	ZINC001203293113	812295787	/nfs/dbraw/zinc/29/57/87/812295787.db2.gz	SPSQQNSGXDVZGX-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1cc(F)ccc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1	ZINC001204642862	812698813	/nfs/dbraw/zinc/69/88/13/812698813.db2.gz	ITWYYTFILWRDEO-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1ccsc1C(=O)[O-]	ZINC001205605883	813020666	/nfs/dbraw/zinc/02/06/66/813020666.db2.gz	SKXADHANKNBEST-UHFFFAOYSA-N	-1	0	257.314	3.488	20	30		CGEDRM
N#Cc1cc2c(nc1-c1csc(C(=O)[O-])c1)CCCC2	ZINC001206257082	813258146	/nfs/dbraw/zinc/25/81/46/813258146.db2.gz	PVCNRZYNMMCDOJ-UHFFFAOYSA-N	-1	0	284.340	3.259	20	30		CGEDRM
C#Cc1cc(Nc2cc(F)cc(C(=O)[O-])c2)ccc1F	ZINC001209889713	814189845	/nfs/dbraw/zinc/18/98/45/814189845.db2.gz	QHVZPFCTAQRJIU-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890388	814190760	/nfs/dbraw/zinc/19/07/60/814190760.db2.gz	LRIMCWJOHVFPGF-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(Nc2cc(C)ccc2C#N)cc1C(=O)[O-]	ZINC001209901075	814194154	/nfs/dbraw/zinc/19/41/54/814194154.db2.gz	QZUQDLOPOXHHGX-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210007332	814239301	/nfs/dbraw/zinc/23/93/01/814239301.db2.gz	LJEDDZTZHGMCQZ-UHFFFAOYSA-N	-1	0	299.305	3.489	20	30		CGEDRM
N#Cc1cccc(Nc2cccc(C(=O)[O-])c2F)c1F	ZINC001210240889	814359929	/nfs/dbraw/zinc/35/99/29/814359929.db2.gz	KJYCGRZWXMNIHY-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1F	ZINC001210242557	814361828	/nfs/dbraw/zinc/36/18/28/814361828.db2.gz	PBZOETJUXGHQFJ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1scc(C)c1C#N	ZINC001210252838	814368454	/nfs/dbraw/zinc/36/84/54/814368454.db2.gz	QGYZDSYOHZZASB-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
Cc1cc(C#N)ccc1[N-]c1nnc(-c2ccco2)o1	ZINC001210374496	814429877	/nfs/dbraw/zinc/42/98/77/814429877.db2.gz	MHFXTAZHTHIHIF-UHFFFAOYSA-N	-1	0	266.260	3.253	20	30		CGEDRM
Cc1oc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C#N)c1C	ZINC001210392712	814440506	/nfs/dbraw/zinc/44/05/06/814440506.db2.gz	IFWMLLFIZMMUAB-UHFFFAOYSA-N	-1	0	273.248	3.126	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccnc(Cl)c1[O-]	ZINC001210500985	814492461	/nfs/dbraw/zinc/49/24/61/814492461.db2.gz	RMZYTTPFULVJDX-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1cc(Nc2cncc(N3CCCC3)c2)c([O-])cc1F	ZINC001210609727	814554591	/nfs/dbraw/zinc/55/45/91/814554591.db2.gz	MFKUZECFIOYXHT-UHFFFAOYSA-N	-1	0	298.321	3.142	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccccc1C(=O)[O-]	ZINC001210969268	814696393	/nfs/dbraw/zinc/69/63/93/814696393.db2.gz	KEAMDANWCPJVRN-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
COc1c(Nc2cccc(C#N)c2F)cccc1C(=O)[O-]	ZINC001211037153	814714404	/nfs/dbraw/zinc/71/44/04/814714404.db2.gz	ITYSNIIYEULRBB-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc([O-])c1Cl)CCC2	ZINC001242799698	823136331	/nfs/dbraw/zinc/13/63/31/823136331.db2.gz	YNLSTZCWMQNZIH-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
COC(=O)c1ccc(Nc2scc([O-])c2C#N)cc1C	ZINC001211168507	814840449	/nfs/dbraw/zinc/84/04/49/814840449.db2.gz	FHMRKAZCGYDRCB-UHFFFAOYSA-N	-1	0	288.328	3.164	20	30		CGEDRM
Cc1ccc(Nc2ccc(C#N)nc2C)cc1C(=O)[O-]	ZINC001211597246	814914844	/nfs/dbraw/zinc/91/48/44/814914844.db2.gz	UXKVDGCGJOIPJV-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)cc1O	ZINC001211626663	814921792	/nfs/dbraw/zinc/92/17/92/814921792.db2.gz	QKOHREBRUVKFEC-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
COC(OC)c1c(C#N)ccnc1-c1cccc([S-])c1	ZINC001242866377	823158245	/nfs/dbraw/zinc/15/82/45/823158245.db2.gz	WIOBFUIRCHWSOH-UHFFFAOYSA-N	-1	0	286.356	3.200	20	30		CGEDRM
Cc1ccc(F)c(-c2noc(-c3ccc(C#N)cc3[O-])n2)c1	ZINC001217040637	815907283	/nfs/dbraw/zinc/90/72/83/815907283.db2.gz	YKUQWWRJZJBLHD-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(C2(C#N)CC2)cn1	ZINC001242920978	823172494	/nfs/dbraw/zinc/17/24/94/823172494.db2.gz	LGYOBKZYIMRICN-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(CC#N)c1	ZINC001242922658	823173144	/nfs/dbraw/zinc/17/31/44/823173144.db2.gz	KGPLAYJRYBIWNM-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
Cc1cc(-c2c(F)cc(C(=O)[O-])cc2F)nc(C)c1C#N	ZINC001222398651	816432535	/nfs/dbraw/zinc/43/25/35/816432535.db2.gz	QPYBLUJDJXSCPJ-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3c(F)cc(C(=O)[O-])cc3F)cnc12	ZINC001222413120	816439032	/nfs/dbraw/zinc/43/90/32/816439032.db2.gz	XFZJPXMMUNLBLE-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
Cc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)n1	ZINC001222686368	816499056	/nfs/dbraw/zinc/49/90/56/816499056.db2.gz	PMWVADIYXQNDND-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
C#C[C@@H](CCCCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225492616	817073621	/nfs/dbraw/zinc/07/36/21/817073621.db2.gz	YFMJVJNBZOLSEC-LBPRGKRZSA-N	-1	0	263.293	3.261	20	30		CGEDRM
N#C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1F	ZINC001225625568	817118741	/nfs/dbraw/zinc/11/87/41/817118741.db2.gz	LBIOLZBXXOTDTH-ZDUSSCGKSA-N	-1	0	288.234	3.083	20	30		CGEDRM
CCC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)[C@H](C)CC	ZINC001226008519	817247469	/nfs/dbraw/zinc/24/74/69/817247469.db2.gz	HWGDGAKEOZPJFG-SKDRFNHKSA-N	-1	0	266.316	3.392	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCCc2ccccc21	ZINC001226007856	817247575	/nfs/dbraw/zinc/24/75/75/817247575.db2.gz	AUKBJFRUNVHOPP-CQSZACIVSA-N	-1	0	284.290	3.254	20	30		CGEDRM
CC/C=C(\C)[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009111	817247895	/nfs/dbraw/zinc/24/78/95/817247895.db2.gz	SKQICTBMHBOYIH-UVMWJGKXSA-N	-1	0	264.300	3.312	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccnc2Cl)c1C#N	ZINC001226221659	817302048	/nfs/dbraw/zinc/30/20/48/817302048.db2.gz	PBQVUTLNBIYTTP-VIFPVBQESA-N	-1	0	289.722	3.156	20	30		CGEDRM
C=C(C)C[C@@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)C(=C)C	ZINC001226347940	817333350	/nfs/dbraw/zinc/33/33/50/817333350.db2.gz	XHGLDLZBKQFELR-SECBINFHSA-N	-1	0	288.269	3.491	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2ccccc21	ZINC001226979799	817523871	/nfs/dbraw/zinc/52/38/71/817523871.db2.gz	AIQVGZRZHOAYOY-VIFPVBQESA-N	-1	0	278.377	3.201	20	30		CGEDRM
C=C[C@@H](CCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601920	817678784	/nfs/dbraw/zinc/67/87/84/817678784.db2.gz	JAXIUMAPQVHZGW-LURJTMIESA-N	-1	0	263.124	3.223	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=S)nnc1C)c1ccccc1	ZINC001227599312	817678972	/nfs/dbraw/zinc/67/89/72/817678972.db2.gz	YPTBPQVRDGXNJF-GFCCVEGCSA-N	-1	0	273.361	3.165	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227606022	817680402	/nfs/dbraw/zinc/68/04/02/817680402.db2.gz	WMFWMCFTLQVPCE-RXMQYKEDSA-N	-1	0	297.207	3.355	20	30		CGEDRM
C[C@@H](Oc1cc(F)c(C#N)cc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001227874944	817740429	/nfs/dbraw/zinc/74/04/29/817740429.db2.gz	KYPHSOWXLSOTRV-SECBINFHSA-N	-1	0	273.243	3.073	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2C)nc(C)c1C#N	ZINC001243203506	823289116	/nfs/dbraw/zinc/28/91/16/823289116.db2.gz	SNGKQRIYHWDXCB-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COc1c(F)cc(-c2ccccc2C=N[O-])cc1F	ZINC001243226548	823301777	/nfs/dbraw/zinc/30/17/77/823301777.db2.gz	BHDCDYCXINJCFZ-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231225547	818061108	/nfs/dbraw/zinc/06/11/08/818061108.db2.gz	ZKXYZJPDLBCMDL-VIFPVBQESA-N	-1	0	296.279	3.332	20	30		CGEDRM
C=CC[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C	ZINC001231227861	818062006	/nfs/dbraw/zinc/06/20/06/818062006.db2.gz	OAZWLIGXCPVWMW-LBPRGKRZSA-N	-1	0	296.279	3.188	20	30		CGEDRM
Cc1cnc(-c2cc(Cl)cc(C(=O)[O-])c2)cc1C#N	ZINC001243323386	823348152	/nfs/dbraw/zinc/34/81/52/823348152.db2.gz	CAGXXAAUKHRNOX-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
C=C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1	ZINC001233588108	818650472	/nfs/dbraw/zinc/65/04/72/818650472.db2.gz	ATEXPGHWGRAQRG-LLVKDONJSA-N	-1	0	262.696	3.142	20	30		CGEDRM
N#CCc1cc(-c2ccc([O-])c(F)c2F)ccc1C#N	ZINC001243342702	823357051	/nfs/dbraw/zinc/35/70/51/823357051.db2.gz	PBBPOQOXSOCSHG-UHFFFAOYSA-N	-1	0	270.238	3.275	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2C[C@H](C)C[C@H](C)C2)c1C#N	ZINC001233915718	818730512	/nfs/dbraw/zinc/73/05/12/818730512.db2.gz	ZPUPJAFUOMHGEK-IAZYJMLFSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511592	818869596	/nfs/dbraw/zinc/86/95/96/818869596.db2.gz	RPBCYDPVZGSRMF-GWCFXTLKSA-N	-1	0	283.331	3.165	20	30		CGEDRM
C#C[C@@H](CC(C)C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234817894	818925594	/nfs/dbraw/zinc/92/55/94/818925594.db2.gz	GWGLBRQNLRFUCU-ZDUSSCGKSA-N	-1	0	286.327	3.234	20	30		CGEDRM
C[C@H](C#C[Si](C)(C)C)Oc1ccccc1C=N[O-]	ZINC001234819858	818927712	/nfs/dbraw/zinc/92/77/12/818927712.db2.gz	PXMALIOQZUTCCQ-GFCCVEGCSA-N	-1	0	261.397	3.143	20	30		CGEDRM
COc1cc(C#N)cc(C)c1O[C@@H](C)C1=CC=C[CH]1	ZINC001234864341	818938379	/nfs/dbraw/zinc/93/83/79/818938379.db2.gz	DKOBFJQUINNPPV-LBPRGKRZSA-N	-1	0	254.309	3.343	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3c(F)cc(F)c([O-])c3F)cc12	ZINC001236002993	819269534	/nfs/dbraw/zinc/26/95/34/819269534.db2.gz	XIVGAQCWYSENGO-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccc(C(=O)[O-])cc1	ZINC001236059811	819292595	/nfs/dbraw/zinc/29/25/95/819292595.db2.gz	BMSVWYNXBZQMSU-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
Cc1c(Cl)c(-c2ccc(CC#N)cn2)ccc1C(=O)[O-]	ZINC001236109610	819325911	/nfs/dbraw/zinc/32/59/11/819325911.db2.gz	WBEZGWLTYLEAAK-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
Cc1c(Cl)c(-c2cc(CC#N)ccn2)ccc1C(=O)[O-]	ZINC001236114208	819326373	/nfs/dbraw/zinc/32/63/73/819326373.db2.gz	KMUHFVRUZVDXIX-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
Cc1ccc(F)c(-c2ncnc3ccc(C#N)cc32)c1[O-]	ZINC001236390274	819446373	/nfs/dbraw/zinc/44/63/73/819446373.db2.gz	IGHMVPSKYWWDQG-UHFFFAOYSA-N	-1	0	279.274	3.322	20	30		CGEDRM
CCCCN(CC#N)Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237540605	819773752	/nfs/dbraw/zinc/77/37/52/819773752.db2.gz	ZACKJIDXWWHQKT-UHFFFAOYSA-N	-1	0	288.178	3.220	20	30		CGEDRM
N#C[C@@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)CC1	ZINC001237997768	819908157	/nfs/dbraw/zinc/90/81/57/819908157.db2.gz	OUUWXSSSKXMFOO-SNVBAGLBSA-N	-1	0	282.746	3.310	20	30		CGEDRM
Cc1ccnc(-c2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001240548515	821134312	/nfs/dbraw/zinc/13/43/12/821134312.db2.gz	UZNKXJIQZSCMPG-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc(/C=C/C(=O)[O-])c1)CCC2	ZINC001240549122	821135541	/nfs/dbraw/zinc/13/55/41/821135541.db2.gz	SIYGLNWRSYDXCX-BQYQJAHWSA-N	-1	0	290.322	3.207	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cccc(C=CC(=O)[O-])c3)cc12	ZINC001240549929	821136694	/nfs/dbraw/zinc/13/66/94/821136694.db2.gz	HRXBQEFLVXSZPC-SNAWJCMRSA-N	-1	0	289.294	3.199	20	30		CGEDRM
N#CCc1cnc(F)c(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240550399	821136777	/nfs/dbraw/zinc/13/67/77/821136777.db2.gz	FQPJIFOMPTZBAW-SNAWJCMRSA-N	-1	0	282.274	3.052	20	30		CGEDRM
O=C([O-])/C=C/c1cccc(-c2ccccc2C=NO)c1	ZINC001240550529	821136877	/nfs/dbraw/zinc/13/68/77/821136877.db2.gz	IRYIDVQADARIGY-INVVTGPASA-N	-1	0	267.284	3.260	20	30		CGEDRM
COc1cc(-c2cccc(F)c2C#N)ccc1C(=O)[O-]	ZINC001240742366	821293657	/nfs/dbraw/zinc/29/36/57/821293657.db2.gz	AUETUALCXDNTRP-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
COc1cc(-c2ccc(CC#N)cc2C)ccc1C(=O)[O-]	ZINC001240744624	821295703	/nfs/dbraw/zinc/29/57/03/821295703.db2.gz	ISLJWKVCTKPIHF-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
N#CCc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1F	ZINC001240974331	821458538	/nfs/dbraw/zinc/45/85/38/821458538.db2.gz	ZEYPYJBFDJHZNY-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#CCc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241245764	821667363	/nfs/dbraw/zinc/66/73/63/821667363.db2.gz	PEZVCCWCLRUYTO-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241246266	821667713	/nfs/dbraw/zinc/66/77/13/821667713.db2.gz	ZDMYUIDHBUVKDP-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1	ZINC001241346851	821750642	/nfs/dbraw/zinc/75/06/42/821750642.db2.gz	MEIBEVXVPAXDTE-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
COc1ccc(-c2cc(F)ccc2CC#N)cc1C(=O)[O-]	ZINC001241868325	822187306	/nfs/dbraw/zinc/18/73/06/822187306.db2.gz	DXTFYOGYQBMINX-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(-c2cccc(C(=O)[O-])c2F)ccc1CC#N	ZINC001242379232	822974454	/nfs/dbraw/zinc/97/44/54/822974454.db2.gz	JKRASDSEHROIMS-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(O)ccc1C=CC(=O)c1sccc1[O-]	ZINC001343884148	936516490	/nfs/dbraw/zinc/51/64/90/936516490.db2.gz	JNTWWOCYTWZPEP-HWKANZROSA-N	-1	0	276.313	3.064	20	30		CGEDRM
CC[C@@H](F)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC001345951258	936830445	/nfs/dbraw/zinc/83/04/45/936830445.db2.gz	IEWVCGCMGVNKNR-VXGBXAGGSA-N	-1	0	286.306	3.116	20	30		CGEDRM
C#C[C@@H](CC)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001448962574	937377154	/nfs/dbraw/zinc/37/71/54/937377154.db2.gz	LEXCRAKFJLGVMA-JTQLQIEISA-N	-1	0	287.746	3.340	20	30		CGEDRM
C=C1CCC(CNC(=O)c2c([O-])cc(F)cc2F)CC1	ZINC001457992249	937448590	/nfs/dbraw/zinc/44/85/90/937448590.db2.gz	CVWKOKCJKQPZFU-UHFFFAOYSA-N	-1	0	281.302	3.147	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1cccc(F)c1[O-]	ZINC001458275974	937457141	/nfs/dbraw/zinc/45/71/41/937457141.db2.gz	YDFICTHVNBHFEC-JTQLQIEISA-N	-1	0	251.301	3.006	20	30		CGEDRM
N#Cc1ccc(C=CNc2ccc(C(=O)[O-])cc2)cc1	ZINC001203306257	931999017	/nfs/dbraw/zinc/99/90/17/931999017.db2.gz	BHCRMZOAANQNCK-MDZDMXLPSA-N	-1	0	264.284	3.339	20	30		CGEDRM
CC(C)(C)c1nnc([N-]c2cccc(C#N)c2F)o1	ZINC001216412620	932019131	/nfs/dbraw/zinc/01/91/31/932019131.db2.gz	JPHIMXXUYQJDLA-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
C=CC(C=C)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229356104	932138206	/nfs/dbraw/zinc/13/82/06/932138206.db2.gz	PUFWNZDOHZYJLJ-UHFFFAOYSA-N	-1	0	290.340	3.206	20	30		CGEDRM
C=CC[C@@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC001321203911	934162385	/nfs/dbraw/zinc/16/23/85/934162385.db2.gz	LXGLQIOZTZJPIG-UONOGXRCSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C[C@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1	ZINC001329496345	935221291	/nfs/dbraw/zinc/22/12/91/935221291.db2.gz	VBFLFMAWPHBROH-CYBMUJFWSA-N	-1	0	289.375	3.058	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1	ZINC001334155725	936087789	/nfs/dbraw/zinc/08/77/89/936087789.db2.gz	JXSWFZLHMIPURW-CQSZACIVSA-N	-1	0	289.375	3.229	20	30		CGEDRM
N#CC(=C([O-])C=Cc1nccs1)c1nc2ccccc2o1	ZINC001516674717	938009385	/nfs/dbraw/zinc/00/93/85/938009385.db2.gz	GHPQQGNLCOFYHR-OMMCCPJFSA-N	-1	0	295.323	3.174	20	30		CGEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001516710460	938009501	/nfs/dbraw/zinc/00/95/01/938009501.db2.gz	LJACAWIJGVYPPJ-VIFPVBQESA-N	-1	0	289.335	3.038	20	30		CGEDRM
Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001524741712	938045253	/nfs/dbraw/zinc/04/52/53/938045253.db2.gz	WCXWHALWKDZQKR-JTQLQIEISA-N	-1	0	287.294	3.131	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(F)c1[O-]	ZINC001532333213	938086057	/nfs/dbraw/zinc/08/60/57/938086057.db2.gz	OUZSHNXEYKAHLE-BXUZGUMPSA-N	-1	0	277.339	3.396	20	30		CGEDRM
CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)c([O-])c1	ZINC001543046075	938137730	/nfs/dbraw/zinc/13/77/30/938137730.db2.gz	GQAQMUCXOYWRHX-UHFFFAOYSA-N	-1	0	294.782	3.448	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000384914562	971967467	/nfs/dbraw/zinc/96/74/67/971967467.db2.gz	FBCOBPSPLDWZLQ-UHFFFAOYSA-N	-1	0	276.336	3.027	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1COc1ccc(C#N)cc1Cl	ZINC000051361096	957504076	/nfs/dbraw/zinc/50/40/76/957504076.db2.gz	MPXMPMCEKLZAIA-UHFFFAOYSA-N	-1	0	291.690	3.390	20	30		CGEDRM
CCCC[C@H](SCC1(C#N)CCCC1)C(=O)[O-]	ZINC001595655775	960531696	/nfs/dbraw/zinc/53/16/96/960531696.db2.gz	PDTDRJWOSLPGGI-NSHDSACASA-N	-1	0	255.383	3.447	20	30		CGEDRM
C=CC(C)(C)NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001602808947	960549863	/nfs/dbraw/zinc/54/98/63/960549863.db2.gz	ACMXDZZOGQXAJY-UHFFFAOYSA-N	-1	0	294.376	3.193	20	30		CGEDRM
C#C[C@](C)(CC)N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC001573303177	962672091	/nfs/dbraw/zinc/67/20/91/962672091.db2.gz	WBDDDMLEYOAMSR-GXTWGEPZSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC1(CCC)CCC	ZINC001588615072	962936976	/nfs/dbraw/zinc/93/69/76/962936976.db2.gz	JCGNEDKDNRLWPP-UHFFFAOYSA-N	-1	0	281.396	3.369	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(CCC(=O)[O-])c1ccccc1C	ZINC001573346859	962943392	/nfs/dbraw/zinc/94/33/92/962943392.db2.gz	HEIFUTQHIKAAMA-UHFFFAOYSA-N	-1	0	289.375	3.405	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F	ZINC001573347818	962952108	/nfs/dbraw/zinc/95/21/08/962952108.db2.gz	ONVNYXCDXYBNQQ-HNNXBMFYSA-N	-1	0	298.285	3.309	20	30		CGEDRM
C=CCCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-]	ZINC001573352807	962993001	/nfs/dbraw/zinc/99/30/01/962993001.db2.gz	KLPWVKZMIPOKTI-UHFFFAOYSA-N	-1	0	271.675	3.082	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)C(=O)[O-]	ZINC001573356132	963006761	/nfs/dbraw/zinc/00/67/61/963006761.db2.gz	AFVFCZUPIAHPPP-ILXRZTDVSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)C(=O)[O-]	ZINC001573356136	963006825	/nfs/dbraw/zinc/00/68/25/963006825.db2.gz	AFVFCZUPIAHPPP-ZNMIVQPWSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001573365916	963056561	/nfs/dbraw/zinc/05/65/61/963056561.db2.gz	IYCRLSJIBGOBMM-UHFFFAOYSA-N	-1	0	265.265	3.028	20	30		CGEDRM
C=C[C@@H](Nc1cc(C)c(Br)c(C)c1)C(=O)[O-]	ZINC000301054052	963063870	/nfs/dbraw/zinc/06/38/70/963063870.db2.gz	ZOIQCQGTMPVCFD-SNVBAGLBSA-N	-1	0	284.153	3.117	20	30		CGEDRM
C=CCC(C)(C)CNc1nc(C(=O)[O-])c(C)s1	ZINC001588736029	963151140	/nfs/dbraw/zinc/15/11/40/963151140.db2.gz	CIBVPOHHFLACEY-UHFFFAOYSA-N	-1	0	254.355	3.164	20	30		CGEDRM
C=CCC(C)(C)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588736843	963158788	/nfs/dbraw/zinc/15/87/88/963158788.db2.gz	WRSWFSUTTBKTHN-NWDGAFQWSA-N	-1	0	268.353	3.023	20	30		CGEDRM
C=CCCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000306060058	963182413	/nfs/dbraw/zinc/18/24/13/963182413.db2.gz	WFKIMBZKLFBJET-UHFFFAOYSA-N	-1	0	282.727	3.126	20	30		CGEDRM
C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001588368058	963272122	/nfs/dbraw/zinc/27/21/22/963272122.db2.gz	GDSXTXOHWJRIMY-GFCCVEGCSA-N	-1	0	283.327	3.098	20	30		CGEDRM
C#CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2	ZINC001588392271	963273137	/nfs/dbraw/zinc/27/31/37/963273137.db2.gz	WGCZHVXGBABCRE-UHFFFAOYSA-N	-1	0	291.372	3.067	20	30		CGEDRM
C#CCN(Cc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1C	ZINC001588469358	963278564	/nfs/dbraw/zinc/27/85/64/963278564.db2.gz	GTQLRUUGXDBHQM-GOSISDBHSA-N	-1	0	293.366	3.256	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1	ZINC001588516738	963279663	/nfs/dbraw/zinc/27/96/63/963279663.db2.gz	ZTQLZMRMRALLLT-GFCCVEGCSA-N	-1	0	293.322	3.108	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-]	ZINC001588535278	963284852	/nfs/dbraw/zinc/28/48/52/963284852.db2.gz	GRSSZJGHYRGGGP-MLGOLLRUSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1cccc2ccsc21)C(=O)[O-]	ZINC001588548306	963286037	/nfs/dbraw/zinc/28/60/37/963286037.db2.gz	PMHDPRMRKBRZFM-GFCCVEGCSA-N	-1	0	289.356	3.051	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)c1ccc(CCCC)cc1	ZINC001588612169	963289340	/nfs/dbraw/zinc/28/93/40/963289340.db2.gz	KGOXYFADZRCOGH-UHFFFAOYSA-N	-1	0	289.375	3.413	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1/C=C/c1ccccc1	ZINC001588615406	963290667	/nfs/dbraw/zinc/29/06/67/963290667.db2.gz	SSHDDQBAGFHIFE-SIFUEBAJSA-N	-1	0	299.370	3.112	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001588605568	963293955	/nfs/dbraw/zinc/29/39/55/963293955.db2.gz	GXNCIFGOYGRUIT-UHFFFAOYSA-N	-1	0	291.347	3.324	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC001588682682	963297288	/nfs/dbraw/zinc/29/72/88/963297288.db2.gz	PVZCNMGZWQYCOY-OAHLLOKOSA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588691314	963302138	/nfs/dbraw/zinc/30/21/38/963302138.db2.gz	XNVQRRRKGIWEPS-CJNGLKHVSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@@H](Nc1cc(-c2nc(C)co2)ccc1C)C(=O)[O-]	ZINC001588702120	963302159	/nfs/dbraw/zinc/30/21/59/963302159.db2.gz	JSBIPKQHJBTXSG-GFCCVEGCSA-N	-1	0	272.304	3.010	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588719146	963303863	/nfs/dbraw/zinc/30/38/63/963303863.db2.gz	MCPHCVGNXKMDPQ-SNVBAGLBSA-N	-1	0	292.310	3.096	20	30		CGEDRM
C=CCC(C)(C)c1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC001588736938	963310542	/nfs/dbraw/zinc/31/05/42/963310542.db2.gz	ZUYRSNFGWSCQCS-QWRGUYRKSA-N	-1	0	278.352	3.282	20	30		CGEDRM
C=CC[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588745309	963312157	/nfs/dbraw/zinc/31/21/57/963312157.db2.gz	HNVVQKCLVKYBGA-DGCLKSJQSA-N	-1	0	286.331	3.022	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1	ZINC001588772399	963313954	/nfs/dbraw/zinc/31/39/54/963313954.db2.gz	FDTSGDYEDVOJLC-GFCCVEGCSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=CCC[C@H](C(=O)O[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC001588776940	963314727	/nfs/dbraw/zinc/31/47/27/963314727.db2.gz	NXOFTUXQHJYWIL-JSGCOSHPSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C=CCCC[C@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC001588789938	963317832	/nfs/dbraw/zinc/31/78/32/963317832.db2.gz	NNXZVMVFIZIYGT-AWEZNQCLSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1cncc(C(=O)[O-])c1	ZINC001588817570	963319698	/nfs/dbraw/zinc/31/96/98/963319698.db2.gz	NCEHUIFVHAPOSM-UHFFFAOYSA-N	-1	0	296.326	3.151	20	30		CGEDRM
C=CCCCCCn1nc(C)c([C@H](C)C(=O)[O-])c1C	ZINC001588799909	963320563	/nfs/dbraw/zinc/32/05/63/963320563.db2.gz	OUJKZSWAOVQYOU-NSHDSACASA-N	-1	0	264.369	3.434	20	30		CGEDRM
C=CCCCN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001588801759	963321701	/nfs/dbraw/zinc/32/17/01/963321701.db2.gz	ZIYCMSPTZJUAIQ-UHFFFAOYSA-N	-1	0	294.326	3.344	20	30		CGEDRM
C=CCCCNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001588803798	963321851	/nfs/dbraw/zinc/32/18/51/963321851.db2.gz	LEWWNTNSCQQEFY-GFCCVEGCSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C=CCCCCCCNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588798948	963322760	/nfs/dbraw/zinc/32/27/60/963322760.db2.gz	VVAXRHXDYJLPMH-UHFFFAOYSA-N	-1	0	289.375	3.180	20	30		CGEDRM
C/C(=C/C(=O)[O-])CSc1cccc(C#N)c1Cl	ZINC001588951960	963333212	/nfs/dbraw/zinc/33/32/12/963333212.db2.gz	JKVVIGWNMWUKNE-YVMONPNESA-N	-1	0	267.737	3.335	20	30		CGEDRM
C[C@H](C(=O)[O-])c1cccc(Nc2ncc(C#N)cc2F)c1	ZINC001589540005	963996053	/nfs/dbraw/zinc/99/60/53/963996053.db2.gz	NMFSNKMNCZNRTK-VIFPVBQESA-N	-1	0	285.278	3.024	20	30		CGEDRM
CC[C@]1(C(=O)[O-])CCCN(c2cc(C)cc(F)c2C#N)C1	ZINC001589607134	964009511	/nfs/dbraw/zinc/00/95/11/964009511.db2.gz	DAXVTWYVSINZMR-INIZCTEOSA-N	-1	0	290.338	3.087	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000393795619	972641283	/nfs/dbraw/zinc/64/12/83/972641283.db2.gz	NCRGPQMOOAPMPY-GFCCVEGCSA-N	-1	0	276.336	3.169	20	30		CGEDRM
Cc1ccc2cc(OC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2c1	ZINC001605314566	973140872	/nfs/dbraw/zinc/14/08/72/973140872.db2.gz	VOHINWITTAQCMC-KRWDZBQOSA-N	-1	0	297.310	3.058	20	30		CGEDRM
CC[C@H](C)[C@H](Nc1ncc(C#N)c2ccsc21)C(=O)[O-]	ZINC001603938130	974424138	/nfs/dbraw/zinc/42/41/38/974424138.db2.gz	GAMDMNGCKVRRHF-KWQFWETISA-N	-1	0	289.360	3.079	20	30		CGEDRM
C[C@H](CC=NOCc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC001592469746	978213350	/nfs/dbraw/zinc/21/33/50/978213350.db2.gz	ASEVZMCBSFPNRP-SECBINFHSA-N	-1	0	289.253	3.319	20	30		CGEDRM
C[C@@H](CC=NOc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC001592471842	978234781	/nfs/dbraw/zinc/23/47/81/978234781.db2.gz	WGEJMJMZSMQDJQ-QMMMGPOBSA-N	-1	0	275.226	3.181	20	30		CGEDRM
C[C@@H](Cc1ccc(NCC#Cc2ccccc2)cc1)C(=O)[O-]	ZINC001592877588	979744979	/nfs/dbraw/zinc/74/49/79/979744979.db2.gz	NICNKXONSZAXMG-HNNXBMFYSA-N	-1	0	293.366	3.413	20	30		CGEDRM
CCCC[C@H](Nc1ccc(CCC#N)cc1)C(=O)[O-]	ZINC001595642554	981973441	/nfs/dbraw/zinc/97/34/41/981973441.db2.gz	UBUWTNYUDLABNR-AWEZNQCLSA-N	-1	0	260.337	3.198	20	30		CGEDRM
CCCC[C@H](SCCCC1(C#N)CCOCC1)C(=O)[O-]	ZINC001595655585	982046218	/nfs/dbraw/zinc/04/62/18/982046218.db2.gz	MKMHOCKFIVYJTI-ZDUSSCGKSA-N	-1	0	299.436	3.464	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001595703594	982270225	/nfs/dbraw/zinc/27/02/25/982270225.db2.gz	VWCGYWWCUXLOLL-RHSMWYFYSA-N	-1	0	295.423	3.450	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001595704796	982279699	/nfs/dbraw/zinc/27/96/99/982279699.db2.gz	HMZNVYBCTMHKOW-IHRRRGAJSA-N	-1	0	298.427	3.145	20	30		CGEDRM
CC[C@@H](C)C[C@@H](Nc1ncc(Cl)c(C)c1C#N)C(=O)[O-]	ZINC001594952415	982669152	/nfs/dbraw/zinc/66/91/52/982669152.db2.gz	IJQYULSIUADWQO-PRHODGIISA-N	-1	0	295.770	3.216	20	30		CGEDRM
CCCOc1cccc(Nc2ccc(C(=O)[O-])nc2C#N)c1	ZINC001595970356	983195590	/nfs/dbraw/zinc/19/55/90/983195590.db2.gz	ZKYWNNLMYJYECL-UHFFFAOYSA-N	-1	0	297.314	3.184	20	30		CGEDRM
CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C#N)cc1	ZINC001597594308	988432939	/nfs/dbraw/zinc/43/29/39/988432939.db2.gz	SKSJDPCKRAGKBI-UHFFFAOYSA-N	-1	0	294.310	3.071	20	30		CGEDRM
CC(C)(CS[C@@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001590812423	990645713	/nfs/dbraw/zinc/64/57/13/990645713.db2.gz	SKBFAEVSULIJSM-CYBMUJFWSA-N	-1	0	277.389	3.355	20	30		CGEDRM
CO[C@@]1(C)CC(N=Nc2ccc(F)c(C(=O)[O-])c2)C1(C)C	ZINC001599086475	997107334	/nfs/dbraw/zinc/10/73/34/997107334.db2.gz	XQVUWEXRAMIQRB-HNNXBMFYSA-N	-1	0	294.326	3.127	20	30		CGEDRM
COc1cc(NN=Cc2cc(C(=O)[O-])co2)ccc1Cl	ZINC001599444935	997992259	/nfs/dbraw/zinc/99/22/59/997992259.db2.gz	NWARKALRYLDRCA-UHFFFAOYSA-N	-1	0	294.694	3.086	20	30		CGEDRM
C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(CC#N)cc1	ZINC001594185750	998719902	/nfs/dbraw/zinc/71/99/02/998719902.db2.gz	RPOKMLGQUCOEFM-ZLDLUXBVSA-N	-1	0	272.348	3.054	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1ccc2ccccc2n1	ZINC000590880764	346882835	/nfs/dbraw/zinc/88/28/35/346882835.db2.gz	WDECZOCILCWKHG-NSHDSACASA-N	-1	0	279.324	3.181	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cccc(Br)c1[O-]	ZINC000592829037	347018713	/nfs/dbraw/zinc/01/87/13/347018713.db2.gz	UBPWTHBZQJDVNE-UHFFFAOYSA-N	-1	0	298.180	3.193	20	30		CGEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000051897147	345093810	/nfs/dbraw/zinc/09/38/10/345093810.db2.gz	NZNNUIFDVDHVCD-SECBINFHSA-N	-1	0	291.401	3.269	20	30		CGEDRM
Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1	ZINC000076905375	345554296	/nfs/dbraw/zinc/55/42/96/345554296.db2.gz	ZGZOHUKKSHXGSR-UHFFFAOYSA-N	-1	0	299.367	3.101	20	30		CGEDRM
N#CC(=C([O-])c1cc2ccccc2s1)c1ccncn1	ZINC000354462660	346541444	/nfs/dbraw/zinc/54/14/44/346541444.db2.gz	IABAYWLJJWMCQP-NSHDSACASA-N	-1	0	279.324	3.181	20	30		CGEDRM
CC(C)c1noc(=NCc2ccc(C(C)(C)C#N)cc2)[n-]1	ZINC000593945392	347122009	/nfs/dbraw/zinc/12/20/09/347122009.db2.gz	KUMDQWSEWSSNNP-UHFFFAOYSA-N	-1	0	284.363	3.028	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000595978515	347373470	/nfs/dbraw/zinc/37/34/70/347373470.db2.gz	XDDWJFTZNPQWCE-GFCCVEGCSA-N	-1	0	278.739	3.124	20	30		CGEDRM
C[C@@H]1CN(c2cccc(C(F)F)c2C#N)CC[C@H]1C(=O)[O-]	ZINC000600802105	347838075	/nfs/dbraw/zinc/83/80/75/347838075.db2.gz	SIIMXYOZWMTKSV-NXEZZACHSA-N	-1	0	294.301	3.043	20	30		CGEDRM
Cc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1C	ZINC000603748257	348094516	/nfs/dbraw/zinc/09/45/16/348094516.db2.gz	JJKQCIOFVUMUGM-FNORWQNLSA-N	-1	0	278.311	3.439	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1cc(CCC)c(C)s1)C(=O)[O-]	ZINC000630318853	350823407	/nfs/dbraw/zinc/82/34/07/350823407.db2.gz	NDBIGZWSLFDFCD-GFCCVEGCSA-N	-1	0	295.404	3.158	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(Cl)c([O-])cc2F)C1	ZINC000633063250	351240609	/nfs/dbraw/zinc/24/06/09/351240609.db2.gz	JOPCTERSSQFLJW-UHFFFAOYSA-N	-1	0	269.703	3.480	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)CC1(C(=O)[O-])CCCCC1	ZINC000634847922	351595803	/nfs/dbraw/zinc/59/58/03/351595803.db2.gz	QSZMTRBDHGOABT-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC[C@H](C)NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634899126	351601811	/nfs/dbraw/zinc/60/18/11/351601811.db2.gz	DEYKPSNBIJEBSW-BLLLJJGKSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CC(C)(C#N)CCCO[N-]C(=O)C(C)(C)c1ccccc1	ZINC000158127553	188358655	/nfs/dbraw/zinc/35/86/55/188358655.db2.gz	KOAIQXNFMXWLKZ-UHFFFAOYSA-N	-1	0	288.391	3.342	20	30		CGEDRM
CC[C@H](C)CO[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000293815467	372490710	/nfs/dbraw/zinc/49/07/10/372490710.db2.gz	UPQXHQHKMYVHBL-NSHDSACASA-N	-1	0	292.354	3.069	20	30		CGEDRM
C=CCC[C@@H](N=c1[n-]nc(COC)s1)c1ccccc1	ZINC000434942481	372717597	/nfs/dbraw/zinc/71/75/97/372717597.db2.gz	JNXUTVPOICFARM-CYBMUJFWSA-N	-1	0	289.404	3.226	20	30		CGEDRM
Cc1noc(C2CC2)c1NC(=O)c1cc(C2CC2)on1	ZINC000329839124	374434664	/nfs/dbraw/zinc/43/46/64/374434664.db2.gz	VZPBSJWWHFAKDA-UHFFFAOYSA-N	-1	0	273.292	3.362	20	30		CGEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl	ZINC000189755998	375444339	/nfs/dbraw/zinc/44/43/39/375444339.db2.gz	SERJTAPDMDCKHJ-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000189779668	375445835	/nfs/dbraw/zinc/44/58/35/375445835.db2.gz	GJZOPSMNOFMUJR-UHFFFAOYSA-N	-1	0	266.300	3.079	20	30		CGEDRM
CCn1nccc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000122860801	542025038	/nfs/dbraw/zinc/02/50/38/542025038.db2.gz	ZLJICCAMXFKATL-JTQLQIEISA-N	-1	0	296.355	3.003	20	30		CGEDRM
CCn1nccc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000122860550	542025505	/nfs/dbraw/zinc/02/55/05/542025505.db2.gz	ZLJICCAMXFKATL-SNVBAGLBSA-N	-1	0	296.355	3.003	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000192889564	375799826	/nfs/dbraw/zinc/79/98/26/375799826.db2.gz	CYQMHYLVKZNNAD-LBPRGKRZSA-N	-1	0	275.348	3.245	20	30		CGEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000537269337	376157279	/nfs/dbraw/zinc/15/72/79/376157279.db2.gz	YRZCHSMWTZPXAI-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000338184025	376275860	/nfs/dbraw/zinc/27/58/60/376275860.db2.gz	DSQFUZHYHVZNHD-SNVBAGLBSA-N	-1	0	281.340	3.423	20	30		CGEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000338184024	376275884	/nfs/dbraw/zinc/27/58/84/376275884.db2.gz	DSQFUZHYHVZNHD-JTQLQIEISA-N	-1	0	281.340	3.423	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1	ZINC000345388107	378274906	/nfs/dbraw/zinc/27/49/06/378274906.db2.gz	AUXAYQQDYNZXRZ-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)CCC(C)(C)C)[n-]1	ZINC000347602489	218287533	/nfs/dbraw/zinc/28/75/33/218287533.db2.gz	SYKXUSDOOPYVQU-GFCCVEGCSA-N	-1	0	290.411	3.158	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)o1	ZINC000361527952	381787026	/nfs/dbraw/zinc/78/70/26/381787026.db2.gz	TXHZXSUAOSZMSL-AWEZNQCLSA-N	-1	0	291.310	3.330	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)cc1[O-]	ZINC000191218059	392826813	/nfs/dbraw/zinc/82/68/13/392826813.db2.gz	UEOYTIWQBZNIGO-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(F)c(F)c1	ZINC000356211647	393384418	/nfs/dbraw/zinc/38/44/18/393384418.db2.gz	GTEIVXPNOBAJJZ-DJWKRKHSSA-N	-1	0	286.237	3.100	20	30		CGEDRM
C[C@@H]1CCN(C(=O)N=c2cn[n-]s2)CC12CCCCC2	ZINC000330204211	296545504	/nfs/dbraw/zinc/54/55/04/296545504.db2.gz	BLNZLXQICUZRPM-LLVKDONJSA-N	-1	0	294.424	3.376	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C(F)F)n1	ZINC000673812327	543255809	/nfs/dbraw/zinc/25/58/09/543255809.db2.gz	VFPJDIGQNCBVDJ-ZETCQYMHSA-N	-1	0	297.286	3.176	20	30		CGEDRM
CCCC[C@H](Nc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000068769189	165044896	/nfs/dbraw/zinc/04/48/96/165044896.db2.gz	FPPSIMDXJFXQCI-AWEZNQCLSA-N	-1	0	283.331	3.162	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1	ZINC000659169777	418963356	/nfs/dbraw/zinc/96/33/56/418963356.db2.gz	KDXZXHWEIMHOPJ-CYBMUJFWSA-N	-1	0	287.359	3.122	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000653296543	419024345	/nfs/dbraw/zinc/02/43/45/419024345.db2.gz	TYHFNNNHEKILOC-MRXNPFEDSA-N	-1	0	279.380	3.002	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ns1	ZINC000447632605	260085843	/nfs/dbraw/zinc/08/58/43/260085843.db2.gz	MCIYKXULTZLTKE-ZDUSSCGKSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000186987546	262332969	/nfs/dbraw/zinc/33/29/69/262332969.db2.gz	HPAXDLAUQWOZRD-VIFPVBQESA-N	-1	0	269.291	3.145	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@H](C#N)c1cccc(Cl)c1Cl	ZINC000294059066	263155278	/nfs/dbraw/zinc/15/52/78/263155278.db2.gz	KACMZIJSAWFSBW-MRVPVSSYSA-N	-1	0	293.100	3.329	20	30		CGEDRM
C=CCCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000280442528	264445768	/nfs/dbraw/zinc/44/57/68/264445768.db2.gz	KBNFRIKKMFGNMY-INIZCTEOSA-N	-1	0	281.396	3.130	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cncc3ccccc32)cc1[O-]	ZINC000527485211	268205596	/nfs/dbraw/zinc/20/55/96/268205596.db2.gz	VMJFCZMEJAIJOO-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nccc2ccccc21	ZINC000429563489	268207187	/nfs/dbraw/zinc/20/71/87/268207187.db2.gz	CDHLSMAAHSVUKC-CQSZACIVSA-N	-1	0	287.278	3.190	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccnn2C(C)C)c([O-])c1	ZINC000280001822	328234226	/nfs/dbraw/zinc/23/42/26/328234226.db2.gz	HXZMADCJVXQACX-QPJJXVBHSA-N	-1	0	286.331	3.074	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nc(C(C)C)c(C)s1	ZINC000569501510	327186448	/nfs/dbraw/zinc/18/64/48/327186448.db2.gz	FGFQYSKIWIFRLS-UHFFFAOYSA-N	-1	0	288.438	3.283	20	30		CGEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)C(=O)[O-]	ZINC000262834874	330034846	/nfs/dbraw/zinc/03/48/46/330034846.db2.gz	GHHVPTHSNPSHRQ-GXTWGEPZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000263557629	330059571	/nfs/dbraw/zinc/05/95/71/330059571.db2.gz	ZQMKLLPEFYQELS-DZGCQCFKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCN=c1[n-]nc(SCCCCC(C)(C)C#N)s1	ZINC000436111732	330669066	/nfs/dbraw/zinc/66/90/66/330669066.db2.gz	FXZJCDUUKXDMLU-UHFFFAOYSA-N	-1	0	296.465	3.370	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000464555504	331362504	/nfs/dbraw/zinc/36/25/04/331362504.db2.gz	IDOVBSBGKQQHDC-LLVKDONJSA-N	-1	0	287.388	3.168	20	30		CGEDRM
C=CCCC1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1	ZINC000479743596	331744914	/nfs/dbraw/zinc/74/49/14/331744914.db2.gz	OHXGGRYBQBTPSO-UHFFFAOYSA-N	-1	0	299.399	3.312	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2conc2C(C)C)n1	ZINC000528910394	333464220	/nfs/dbraw/zinc/46/42/20/333464220.db2.gz	ROBGFIUWHIIGDF-VIFPVBQESA-N	-1	0	275.333	3.053	20	30		CGEDRM
C=CCC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000579248220	335727458	/nfs/dbraw/zinc/72/74/58/335727458.db2.gz	RAXAGLXKKAJFIC-UHFFFAOYSA-N	-1	0	292.335	3.236	20	30		CGEDRM
CC#CCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000184630193	519335213	/nfs/dbraw/zinc/33/52/13/519335213.db2.gz	PHDLCTBZKFABSW-UHFFFAOYSA-N	-1	0	274.345	3.249	20	30		CGEDRM
Cc1cccc2c1C/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2=O	ZINC000729151662	571879685	/nfs/dbraw/zinc/87/96/85/571879685.db2.gz	UZKUVWORYSGERL-KPKJPENVSA-N	-1	0	295.294	3.431	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(O)cc1F	ZINC000729931884	571937309	/nfs/dbraw/zinc/93/73/09/571937309.db2.gz	YHMAGNOJKNOJDS-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
CC(=NOCc1cccnc1)c1cc(F)cc(F)c1[O-]	ZINC000746588079	571975110	/nfs/dbraw/zinc/97/51/10/571975110.db2.gz	KCWAFFYSAVMWEA-UHFFFAOYSA-N	-1	0	278.258	3.006	20	30		CGEDRM
Cc1cc(C)cc([C@H](C)/N=C/c2c(O)c(C)ncc2CO)c1	ZINC000730434289	572353351	/nfs/dbraw/zinc/35/33/51/572353351.db2.gz	IQPZBKXDYUCZMO-QOJWJBQSSA-N	-1	0	298.386	3.385	20	30		CGEDRM
COc1cccc(/C=N\[C@H](CC(=O)[O-])c2ccccc2)c1O	ZINC000738095861	572364157	/nfs/dbraw/zinc/36/41/57/572364157.db2.gz	KKIBTWZLFZQFJL-JVVDOCDTSA-N	-1	0	299.326	3.036	20	30		CGEDRM
COc1ccccc1S[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738142367	572365759	/nfs/dbraw/zinc/36/57/59/572365759.db2.gz	BQUILJFANBIDKY-OAHLLOKOSA-N	-1	0	299.351	3.485	20	30		CGEDRM
Cc1cc(C)cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738365168	572373266	/nfs/dbraw/zinc/37/32/66/572373266.db2.gz	XDSGHLSKTKZZQJ-INIZCTEOSA-N	-1	0	280.327	3.413	20	30		CGEDRM
Cc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F	ZINC000738628351	572383427	/nfs/dbraw/zinc/38/34/27/572383427.db2.gz	POBZNJJRHGVJMK-HNNXBMFYSA-N	-1	0	284.290	3.244	20	30		CGEDRM
CC(C)NC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953081	572385859	/nfs/dbraw/zinc/38/58/59/572385859.db2.gz	MLPNXPVWIHIHND-UHFFFAOYSA-N	-1	0	279.434	3.387	20	30		CGEDRM
Cc1cccc(C=NNc2ccccc2C(=O)[O-])c1C	ZINC000731150982	572396903	/nfs/dbraw/zinc/39/69/03/572396903.db2.gz	KNQRJKDOTZZSSC-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
O=C([O-])c1cc(Cl)cc(N=Cc2ccccc2O)c1	ZINC000740074114	572431030	/nfs/dbraw/zinc/43/10/30/572431030.db2.gz	IFQYRJMUQUYGKB-UHFFFAOYSA-N	-1	0	275.691	3.494	20	30		CGEDRM
O=C([O-])N1CCC[C@H]1C/N=C/c1c(O)ccc2ccccc21	ZINC000740518332	572444620	/nfs/dbraw/zinc/44/46/20/572444620.db2.gz	DWKVIKFCEUJXQZ-FHXOWUIVSA-N	-1	0	298.342	3.107	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@H]2Cc2ccccc2)c1	ZINC000741463432	572499818	/nfs/dbraw/zinc/49/98/18/572499818.db2.gz	FNBIEWIINYTKGV-SIUHFWHKSA-N	-1	0	296.326	3.351	20	30		CGEDRM
C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000737696741	572568125	/nfs/dbraw/zinc/56/81/25/572568125.db2.gz	VDXHEDTZTDFSSJ-GFCCVEGCSA-N	-1	0	296.326	3.022	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC(C2CC2)C2CC2)c1	ZINC000743044921	572635686	/nfs/dbraw/zinc/63/56/86/572635686.db2.gz	UHTKTRJNEGHJJS-PXNMLYILSA-N	-1	0	274.320	3.156	20	30		CGEDRM
C=CCc1ccc(OCc2cc(C(=O)[O-])co2)c(OC)c1	ZINC000736114176	572768738	/nfs/dbraw/zinc/76/87/38/572768738.db2.gz	JBWYLRIZGZBZFA-UHFFFAOYSA-N	-1	0	288.299	3.294	20	30		CGEDRM
C=CCn1c(S[C@H](CCCC)C(=O)[O-])nnc1C1CC1	ZINC000736118471	572768896	/nfs/dbraw/zinc/76/88/96/572768896.db2.gz	TYLWBVNMOAQKMQ-LLVKDONJSA-N	-1	0	295.408	3.077	20	30		CGEDRM
Cc1ccc(CCC(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC000747998312	572957246	/nfs/dbraw/zinc/95/72/46/572957246.db2.gz	DFLICRUBDKOIAH-UHFFFAOYSA-N	-1	0	294.354	3.452	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c(F)c1	ZINC000774132235	597669839	/nfs/dbraw/zinc/66/98/39/597669839.db2.gz	ZVRSWJXSQHTLNT-ALCCZGGFSA-N	-1	0	295.269	3.292	20	30		CGEDRM
C[C@@H](Nc1cccc(CC(=O)[O-])c1)c1cccc(C#N)c1	ZINC000820154779	598198349	/nfs/dbraw/zinc/19/83/49/598198349.db2.gz	YCGZXHAOEBBSSQ-GFCCVEGCSA-N	-1	0	280.327	3.358	20	30		CGEDRM
C=CCCCN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000384479226	600259552	/nfs/dbraw/zinc/25/95/52/600259552.db2.gz	WYNPWCHGKJLDOK-CLFYSBASSA-N	-1	0	290.319	3.095	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000136015184	600274580	/nfs/dbraw/zinc/27/45/80/600274580.db2.gz	FTBJAPSELIPWAT-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000163143610	600284726	/nfs/dbraw/zinc/28/47/26/600284726.db2.gz	ZZQMPLBZWSKRKX-QMMMGPOBSA-N	-1	0	282.727	3.124	20	30		CGEDRM
C=CCCO[C@@H](C)c1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000825676047	600695242	/nfs/dbraw/zinc/69/52/42/600695242.db2.gz	QBDRBSYQIPUQMS-JTQLQIEISA-N	-1	0	288.303	3.089	20	30		CGEDRM
N#Cc1ccccc1S[C@@H](C(=O)[O-])c1ccccc1	ZINC000833076675	600729731	/nfs/dbraw/zinc/72/97/31/600729731.db2.gz	LWKWXXUTJJKJTA-CQSZACIVSA-N	-1	0	269.325	3.476	20	30		CGEDRM
N#Cc1ccnc(S[C@H](C(=O)[O-])c2ccccc2F)c1	ZINC000833076306	600837703	/nfs/dbraw/zinc/83/77/03/600837703.db2.gz	BHJLJQCNVHDGHX-ZDUSSCGKSA-N	-1	0	288.303	3.010	20	30		CGEDRM
C=CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC000825671484	601126550	/nfs/dbraw/zinc/12/65/50/601126550.db2.gz	QLZUBUVYQLUKFL-UHFFFAOYSA-N	-1	0	279.361	3.230	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(COC(=O)[C@H](NC(=O)[O-])C(C)C)CC1	ZINC000825642168	601194437	/nfs/dbraw/zinc/19/44/37/601194437.db2.gz	IXSNSLBDFBXJGJ-ZIAGYGMSSA-N	-1	0	295.379	3.124	20	30		CGEDRM
N#Cc1cccc([C@@H](Nc2ccc(F)c(F)c2)C(=O)[O-])c1	ZINC000833076537	601299992	/nfs/dbraw/zinc/29/99/92/601299992.db2.gz	WOXPMSPZYMKCRV-CQSZACIVSA-N	-1	0	288.253	3.074	20	30		CGEDRM
Cn1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c2ccccc21	ZINC000833042283	601331856	/nfs/dbraw/zinc/33/18/56/601331856.db2.gz	ZLIPZXYQHHSYCT-CLFYSBASSA-N	-1	0	294.310	3.101	20	30		CGEDRM
CCCCC[C@@H](/N=C/c1ccc(OCC)cc1O)C(=O)[O-]	ZINC000829312755	601365921	/nfs/dbraw/zinc/36/59/21/601365921.db2.gz	ZZHQPVCMYLFHIA-SWEABUAFSA-N	-1	0	293.363	3.243	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000825671214	601438686	/nfs/dbraw/zinc/43/86/86/601438686.db2.gz	GTCKQQZRCJVADC-UHFFFAOYSA-N	-1	0	275.348	3.344	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)c(C2CC2)n1	ZINC000899353672	620649576	/nfs/dbraw/zinc/64/95/76/620649576.db2.gz	VVGXNPQSRGKUQX-AATRIKPKSA-N	-1	0	286.306	3.038	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c(C)c1	ZINC000832911432	601792264	/nfs/dbraw/zinc/79/22/64/601792264.db2.gz	NGCSNABQCUCQAC-XQRVVYSFSA-N	-1	0	269.300	3.226	20	30		CGEDRM
CCOc1ccc(/C=N/Cc2cccc(C(=O)[O-])c2)c(O)c1	ZINC000830063852	601845148	/nfs/dbraw/zinc/84/51/48/601845148.db2.gz	KLBIDNJZRDUANY-WOJGMQOQSA-N	-1	0	299.326	3.108	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1cc(C(=O)[O-])ccc1C	ZINC000825665108	602180554	/nfs/dbraw/zinc/18/05/54/602180554.db2.gz	UNJZUHDLQSTUOG-UHFFFAOYSA-N	-1	0	274.316	3.367	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000825660073	602291789	/nfs/dbraw/zinc/29/17/89/602291789.db2.gz	QQZKIWHKJLKSJK-UHFFFAOYSA-N	-1	0	295.285	3.370	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000823496240	603996729	/nfs/dbraw/zinc/99/67/29/603996729.db2.gz	GQOWFFKVBJMOCR-UHFFFAOYSA-N	-1	0	266.272	3.210	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000823491551	604048074	/nfs/dbraw/zinc/04/80/74/604048074.db2.gz	WZNWDSSIHNIPES-UHFFFAOYSA-N	-1	0	288.347	3.161	20	30		CGEDRM
CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])cc1	ZINC000825809065	604632766	/nfs/dbraw/zinc/63/27/66/604632766.db2.gz	LSDKMGIYBFKZRZ-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C=C(C)[C@@H]1CCC(C)=C(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763369087	604666759	/nfs/dbraw/zinc/66/67/59/604666759.db2.gz	UECBDESWWMWFMW-GFCCVEGCSA-N	-1	0	285.347	3.480	20	30		CGEDRM
CN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cc1F	ZINC000833696655	604751401	/nfs/dbraw/zinc/75/14/01/604751401.db2.gz	QPSJJCBLEAODDO-UHFFFAOYSA-N	-1	0	298.317	3.028	20	30		CGEDRM
C#CCCCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC000833362956	605020533	/nfs/dbraw/zinc/02/05/33/605020533.db2.gz	SXHBAYVKULNALL-UHFFFAOYSA-N	-1	0	280.707	3.137	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)c1ccc(C(=O)[O-])s1	ZINC000833373825	605021862	/nfs/dbraw/zinc/02/18/62/605021862.db2.gz	DWMMWMBLHLPJKT-VIFPVBQESA-N	-1	0	268.334	3.348	20	30		CGEDRM
C[C@@H]1C/C(=C\c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21	ZINC000833588162	605052223	/nfs/dbraw/zinc/05/22/23/605052223.db2.gz	ONOIEPWXQOKVJS-OYVNLZQHSA-N	-1	0	281.311	3.486	20	30		CGEDRM
CC(C)(C#N)CCN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000167282174	605191245	/nfs/dbraw/zinc/19/12/45/605191245.db2.gz	UEKNPENDRBQAQV-ZDUSSCGKSA-N	-1	0	272.348	3.005	20	30		CGEDRM
C=CCCCCCN(C)C(=O)Cc1ccccc1C(=O)[O-]	ZINC000833374255	605251014	/nfs/dbraw/zinc/25/10/14/605251014.db2.gz	WHJCSMTVMNKOML-UHFFFAOYSA-N	-1	0	289.375	3.132	20	30		CGEDRM
N#Cc1ccc(OCc2cccc(NC(=O)[O-])c2)c(F)c1	ZINC000833976952	605574610	/nfs/dbraw/zinc/57/46/10/605574610.db2.gz	IKXFVGLEJCJEQQ-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
N#Cc1ccc(OCc2cccc(NC(=O)[O-])c2)cc1	ZINC000833977637	605637216	/nfs/dbraw/zinc/63/72/16/605637216.db2.gz	QVNAZPLDSXBBRN-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)c([O-])c1	ZINC000255200297	618071865	/nfs/dbraw/zinc/07/18/65/618071865.db2.gz	DBXHRFIGJFDOIL-CLFYSBASSA-N	-1	0	263.296	3.468	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(CC(=O)[O-])C2CCC2)c1	ZINC000900355238	620781760	/nfs/dbraw/zinc/78/17/60/620781760.db2.gz	IUYGBCZCXGVBJY-UHFFFAOYSA-N	-1	0	288.347	3.191	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1cccc(C(=C)C)c1)C(=O)[O-]	ZINC000900356022	620782241	/nfs/dbraw/zinc/78/22/41/620782241.db2.gz	YZBSWKFGLBDEQR-CQSZACIVSA-N	-1	0	288.347	3.261	20	30		CGEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccco1	ZINC000255640248	618770820	/nfs/dbraw/zinc/77/08/20/618770820.db2.gz	BDJMCWRADWGBEQ-ARJAWSKDSA-N	-1	0	250.200	3.160	20	30		CGEDRM
O=C(/C=C/c1cccc2nccn21)c1ccc([O-])c(F)c1	ZINC000180313600	618873794	/nfs/dbraw/zinc/87/37/94/618873794.db2.gz	ISRCAXLOVDZBEK-FNORWQNLSA-N	-1	0	282.274	3.075	20	30		CGEDRM
C#CCC1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCCCC1	ZINC000909330831	619144137	/nfs/dbraw/zinc/14/41/37/619144137.db2.gz	BLEFPOIRYPUOEU-UHFFFAOYSA-N	-1	0	299.370	3.226	20	30		CGEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000034872064	619497502	/nfs/dbraw/zinc/49/75/02/619497502.db2.gz	VRKUYQGTKRVJDZ-LREOWRDNSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1	ZINC000048518781	619503042	/nfs/dbraw/zinc/50/30/42/619503042.db2.gz	JXMWYGYRZSXNHE-UHFFFAOYSA-N	-1	0	269.366	3.084	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518899	619503063	/nfs/dbraw/zinc/50/30/63/619503063.db2.gz	LCIBUHFFWNUPGC-UHFFFAOYSA-N	-1	0	289.784	3.421	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)NCCCCCCCC(=O)[O-]	ZINC000909469010	619751898	/nfs/dbraw/zinc/75/18/98/619751898.db2.gz	ZQMPBVCQYDIICO-UHFFFAOYSA-N	-1	0	269.385	3.130	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000909511810	619792659	/nfs/dbraw/zinc/79/26/59/619792659.db2.gz	XOZGXEWZMBFJQK-INIZCTEOSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=C(C)C[C@H](NCc1cccc(Cl)c1[O-])C(=O)OCC	ZINC000895598273	619856202	/nfs/dbraw/zinc/85/62/02/619856202.db2.gz	QANSWRXGAASRIJ-ZDUSSCGKSA-N	-1	0	297.782	3.033	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCCc3cccnc32)c1	ZINC000899227744	620627441	/nfs/dbraw/zinc/62/74/41/620627441.db2.gz	RANDRYBMKOASTA-FNHQQPGVSA-N	-1	0	297.314	3.192	20	30		CGEDRM
Cc1ccc(C=NNC[C@H]2CCCC2(F)F)cc1C(=O)[O-]	ZINC000901270913	620849908	/nfs/dbraw/zinc/84/99/08/620849908.db2.gz	DKGJWVVVVZOTCS-GFCCVEGCSA-N	-1	0	296.317	3.052	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NNC1C[C@@H](C)O[C@H](C)C1	ZINC000901304912	620851982	/nfs/dbraw/zinc/85/19/82/620851982.db2.gz	WIIWDXRGDPWREG-ZIAGYGMSSA-N	-1	0	298.427	3.333	20	30		CGEDRM
C=CCCC[C@H](C(=O)NCCCC(=O)[O-])c1ccccc1	ZINC000901437062	620887724	/nfs/dbraw/zinc/88/77/24/620887724.db2.gz	ANOZSFCQBWBEGW-HNNXBMFYSA-N	-1	0	289.375	3.108	20	30		CGEDRM
N#Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1C1CC1	ZINC000902700642	621397898	/nfs/dbraw/zinc/39/78/98/621397898.db2.gz	DQYNWVPKRJMKGP-UHFFFAOYSA-N	-1	0	286.331	3.019	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1CCC#N	ZINC000905022960	622031432	/nfs/dbraw/zinc/03/14/32/622031432.db2.gz	IQKNVCNDYGNBAQ-LBPRGKRZSA-N	-1	0	275.739	3.291	20	30		CGEDRM
N#Cc1sccc1-c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C(=O)[O-]	ZINC000906243337	622196578	/nfs/dbraw/zinc/19/65/78/622196578.db2.gz	SNLFWDJJHOHYTK-CFVMTHIKSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000907599069	622303303	/nfs/dbraw/zinc/30/33/03/622303303.db2.gz	VDJOKMGEYYZEJQ-LBPRGKRZSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000907598098	622303619	/nfs/dbraw/zinc/30/36/19/622303619.db2.gz	YUXKSLQLOOLEJL-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1	ZINC000908248875	622337627	/nfs/dbraw/zinc/33/76/27/622337627.db2.gz	JFTRBZYQRZTYQL-ZDUSSCGKSA-N	-1	0	261.321	3.015	20	30		CGEDRM
C=CC[C@H](C(=O)NCCCCCC(=O)[O-])c1ccccc1	ZINC000909089899	622390511	/nfs/dbraw/zinc/39/05/11/622390511.db2.gz	TZKYOSZSYYAQQN-HNNXBMFYSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910296108	622474274	/nfs/dbraw/zinc/47/42/74/622474274.db2.gz	JQGGGQFRJHFMHW-UONOGXRCSA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000910515148	622489923	/nfs/dbraw/zinc/48/99/23/622489923.db2.gz	CFPOQHBGEOKRJT-ZFWWWQNUSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000910915735	622508607	/nfs/dbraw/zinc/50/86/07/622508607.db2.gz	QSEUWJMNZSLNQQ-LBPRGKRZSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=C1CCC(CNC(=O)c2ccc(C(=O)[O-])cc2F)CC1	ZINC000910990770	622514093	/nfs/dbraw/zinc/51/40/93/622514093.db2.gz	KOTQBYZGXIXTCJ-UHFFFAOYSA-N	-1	0	291.322	3.000	20	30		CGEDRM
CCN(C)c1ccc(/C=C/C(=O)c2ccccc2[O-])cn1	ZINC000191318563	622801220	/nfs/dbraw/zinc/80/12/20/622801220.db2.gz	XIZQPWAJKMWKQV-CSKARUKUSA-N	-1	0	282.343	3.139	20	30		CGEDRM
CCCCCCCC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000165615225	622866198	/nfs/dbraw/zinc/86/61/98/622866198.db2.gz	TZXWTKYIOPWPRS-UHFFFAOYSA-N	-1	0	283.412	3.498	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000229026433	623093904	/nfs/dbraw/zinc/09/39/04/623093904.db2.gz	ZKMUKDFWEDWYQE-GZBFAFLISA-N	-1	0	281.396	3.059	20	30		CGEDRM
O=C(/C=C/c1cnn2ccccc12)c1ccc([O-])c(F)c1	ZINC000171737582	623188248	/nfs/dbraw/zinc/18/82/48/623188248.db2.gz	JFGRNVNNYUOMGM-AATRIKPKSA-N	-1	0	282.274	3.075	20	30		CGEDRM
CCCCc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1	ZINC000916283117	624132021	/nfs/dbraw/zinc/13/20/21/624132021.db2.gz	YWJWCLLERFCNQY-UHFFFAOYSA-N	-1	0	299.378	3.064	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cc(F)cc(F)c2)cc1	ZINC000920376709	624485758	/nfs/dbraw/zinc/48/57/58/624485758.db2.gz	OPSHEQKQUJUWAS-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000920954768	624557057	/nfs/dbraw/zinc/55/70/57/624557057.db2.gz	HRUGFDFQDWYPHK-UHFFFAOYSA-N	-1	0	260.318	3.201	20	30		CGEDRM
O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc([O-])c(F)c1	ZINC000170851756	624656515	/nfs/dbraw/zinc/65/65/15/624656515.db2.gz	UYHATVOFGRXZSK-DAFODLJHSA-N	-1	0	284.286	3.362	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2o1	ZINC000788082262	626095397	/nfs/dbraw/zinc/09/53/97/626095397.db2.gz	YKMQYYSUDFTDHO-KRZKBDHCSA-N	-1	0	277.283	3.046	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)c([O-])c1	ZINC000121324945	626194020	/nfs/dbraw/zinc/19/40/20/626194020.db2.gz	RVJHSBPSNATWEX-QHHAFSJGSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CCCCCCCC(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000103092908	626233121	/nfs/dbraw/zinc/23/31/21/626233121.db2.gz	FPOUOUXWAFOHJR-ZDUSSCGKSA-N	-1	0	269.385	3.203	20	30		CGEDRM
CN1CCc2cc(/C=C/C(=O)c3ccc(F)cc3[O-])ccc21	ZINC000751535247	626395121	/nfs/dbraw/zinc/39/51/21/626395121.db2.gz	NFSZQDSGNJPOEG-XVNBXDOJSA-N	-1	0	297.329	3.420	20	30		CGEDRM
CCCCCCCCCCN=Nc1nnc(C)c(=O)[n-]1	ZINC000755525238	626628793	/nfs/dbraw/zinc/62/87/93/626628793.db2.gz	SZOSLQUSEPOIMG-UHFFFAOYSA-N	-1	0	279.388	3.424	20	30		CGEDRM
CCC(=NNC1CCCC1)c1cc(C(=O)[O-])ccc1F	ZINC000756888481	626739786	/nfs/dbraw/zinc/73/97/86/626739786.db2.gz	CRWRJIRVMDSSRE-UHFFFAOYSA-N	-1	0	278.327	3.170	20	30		CGEDRM
Cc1cccc2ncc(/C=C\C(=O)c3cc(F)ccc3[O-])n21	ZINC000757466986	626780681	/nfs/dbraw/zinc/78/06/81/626780681.db2.gz	BBAZKRRRKSDZOM-VURMDHGXSA-N	-1	0	296.301	3.384	20	30		CGEDRM
COc1c(O)cccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000757476219	626782110	/nfs/dbraw/zinc/78/21/10/626782110.db2.gz	OPZOGTZPIKFWCG-VMPITWQZSA-N	-1	0	288.274	3.142	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000757476843	626782364	/nfs/dbraw/zinc/78/23/64/626782364.db2.gz	USVWYPIEDIXHIS-WAYWQWQTSA-N	-1	0	294.713	3.123	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091341	626874007	/nfs/dbraw/zinc/87/40/07/626874007.db2.gz	QQZBZLMSOSOOHV-VURMDHGXSA-N	-1	0	299.282	3.205	20	30		CGEDRM
O=C(/C=C\c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759092139	626874134	/nfs/dbraw/zinc/87/41/34/626874134.db2.gz	WHZFKMSOMDRCDP-CLTKARDFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3ccsc3[nH]2)c1	ZINC000759720774	626918201	/nfs/dbraw/zinc/91/82/01/626918201.db2.gz	WDBOZQFQIMEBKB-UHFFFAOYSA-N	-1	0	283.312	3.059	20	30		CGEDRM
CCC(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000760978855	627006937	/nfs/dbraw/zinc/00/69/37/627006937.db2.gz	HXHXROQUYIHYCY-RIYZIHGNSA-N	-1	0	250.298	3.156	20	30		CGEDRM
O=C([O-])c1ccc(N=NCC2CCCCCC2)nc1	ZINC000763368091	627154354	/nfs/dbraw/zinc/15/43/54/627154354.db2.gz	JYGCDHGPPMSDAD-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000764431455	627207058	/nfs/dbraw/zinc/20/70/58/627207058.db2.gz	CVLLYVBBTCNPNO-IHWYPQMZSA-N	-1	0	294.353	3.413	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccc(O)cc2)c1	ZINC000765824078	627273716	/nfs/dbraw/zinc/27/37/16/627273716.db2.gz	JHWFJNRYUQDOEZ-WAYWQWQTSA-N	-1	0	274.297	3.048	20	30		CGEDRM
C[C@@H]1CC(C)(C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000766029320	627289109	/nfs/dbraw/zinc/28/91/09/627289109.db2.gz	KJAIKSZSBICAFY-SECBINFHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000766771310	627359368	/nfs/dbraw/zinc/35/93/68/627359368.db2.gz	BWAFCXPFOOXRKJ-YVMONPNESA-N	-1	0	281.311	3.238	20	30		CGEDRM
C[C@@H]1CCC[C@H](C=Nn2c(=S)[n-]nc2C(F)(F)F)C1	ZINC000768352682	627474988	/nfs/dbraw/zinc/47/49/88/627474988.db2.gz	QIGIQVGLUMSWQE-SFYZADRCSA-N	-1	0	292.330	3.246	20	30		CGEDRM
CC1(C)CCC(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000769155163	627526923	/nfs/dbraw/zinc/52/69/23/627526923.db2.gz	OPRCJEUGJGCVQK-UHFFFAOYSA-N	-1	0	272.348	3.419	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2c2ccccc2)nc1	ZINC000769798407	627579049	/nfs/dbraw/zinc/57/90/49/627579049.db2.gz	AYPGVNNWHVJNEZ-ZDUSSCGKSA-N	-1	0	281.315	3.125	20	30		CGEDRM
Cc1cccc2c1OC/C(=C\c1cccc(C(=O)[O-])c1)C2=O	ZINC000774127963	627948937	/nfs/dbraw/zinc/94/89/37/627948937.db2.gz	YJVSDRBODDXKLB-NTEUORMPSA-N	-1	0	294.306	3.352	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1F	ZINC000775705290	628127421	/nfs/dbraw/zinc/12/74/21/628127421.db2.gz	IZBUSGSLMBQSTM-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cscn1	ZINC000776193454	628179528	/nfs/dbraw/zinc/17/95/28/628179528.db2.gz	ZDLMXHMRCSGSHI-UPHRSURJSA-N	-1	0	267.256	3.023	20	30		CGEDRM
CCCCCCCC(=O)N(C[C@H](C)C(=O)[O-])C1CC1	ZINC000777380298	628263862	/nfs/dbraw/zinc/26/38/62/628263862.db2.gz	ZFRCKSFFOJWJNL-LBPRGKRZSA-N	-1	0	269.385	3.059	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1O	ZINC000779358843	628409608	/nfs/dbraw/zinc/40/96/08/628409608.db2.gz	XHBUKTUPDPKHLV-LREOWRDNSA-N	-1	0	286.258	3.126	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccnc(Cl)c2)cc1	ZINC000779460781	628414590	/nfs/dbraw/zinc/41/45/90/628414590.db2.gz	SUGOHBOTDSCNRH-ZZXKWVIFSA-N	-1	0	287.702	3.329	20	30		CGEDRM
O=C(/C=C/c1cncnc1)c1ccc2ccccc2c1[O-]	ZINC000781111938	628537341	/nfs/dbraw/zinc/53/73/41/628537341.db2.gz	RZUGTWSNTQKDSM-VMPITWQZSA-N	-1	0	276.295	3.232	20	30		CGEDRM
COc1cc(C)c(/C=C/C(=O)c2ccc(O)cc2[O-])c(C)n1	ZINC000781550395	628570436	/nfs/dbraw/zinc/57/04/36/628570436.db2.gz	VFOIQALNNOBIMP-VOTSOKGWSA-N	-1	0	299.326	3.014	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cnccc2C)n1	ZINC000784819005	628834230	/nfs/dbraw/zinc/83/42/30/628834230.db2.gz	GVBNXXRAUMCMCB-DHCBQETCSA-N	-1	0	283.356	3.045	20	30		CGEDRM
CCC(N=Nc1ncccc1C)c1ccc(C(=O)[O-])cc1	ZINC000790192981	629192226	/nfs/dbraw/zinc/19/22/26/629192226.db2.gz	MKIWLXWSCDCTHM-UHFFFAOYSA-N	-1	0	283.331	3.314	20	30		CGEDRM
CC[C@H](NN=Cc1cccc(-c2ccc(C)cc2)c1)C(=O)[O-]	ZINC000793055692	629405784	/nfs/dbraw/zinc/40/57/84/629405784.db2.gz	BLPPGVBJQXHVID-KRWDZBQOSA-N	-1	0	296.370	3.449	20	30		CGEDRM
CC[C@H](NN=C1C[C@H](C)C[C@H](c2ccccc2)C1)C(=O)[O-]	ZINC000793056595	629406479	/nfs/dbraw/zinc/40/64/79/629406479.db2.gz	HIITWTDJCHBKFP-INWMFGNUSA-N	-1	0	288.391	3.399	20	30		CGEDRM
CC[C@@H](NN=C(C)c1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000793071707	629407989	/nfs/dbraw/zinc/40/79/89/629407989.db2.gz	GJNCKOIEWOEXPK-SNVBAGLBSA-N	-1	0	289.162	3.170	20	30		CGEDRM
O=C(/C=C/c1cnc2ccccn12)c1ccc([O-])c(F)c1	ZINC000119138884	629445924	/nfs/dbraw/zinc/44/59/24/629445924.db2.gz	QGORMWAPAIHHBS-FNORWQNLSA-N	-1	0	282.274	3.075	20	30		CGEDRM
CSCCON=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000794573037	629557436	/nfs/dbraw/zinc/55/74/36/629557436.db2.gz	NYOUMMHFZFGYQX-UHFFFAOYSA-N	-1	0	280.176	3.413	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(C)c1	ZINC000794923712	629599370	/nfs/dbraw/zinc/59/93/70/629599370.db2.gz	TXKXOWJNTKNMCZ-UHFFFAOYSA-N	-1	0	283.331	3.314	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000794940973	629603177	/nfs/dbraw/zinc/60/31/77/629603177.db2.gz	HEFBJFDZYWGIBI-XQRVVYSFSA-N	-1	0	274.295	3.205	20	30		CGEDRM
CCC(N=Nc1ncccc1F)c1ccc(C(=O)[O-])cc1	ZINC000794989915	629614921	/nfs/dbraw/zinc/61/49/21/629614921.db2.gz	FYPNXQARXTXVHC-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000864155245	629786141	/nfs/dbraw/zinc/78/61/41/629786141.db2.gz	JNTNWLXVKYJXHD-OKILXGFUSA-N	-1	0	285.343	3.016	20	30		CGEDRM
CCCCCCCNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000864158610	629787049	/nfs/dbraw/zinc/78/70/49/629787049.db2.gz	CTEJMPAFGGHGGK-NTMALXAHSA-N	-1	0	279.336	3.078	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCCC[C@@H]2F)c1	ZINC000864346919	629815131	/nfs/dbraw/zinc/81/51/31/629815131.db2.gz	GXXANCGKBOEBNH-AQXMUXADSA-N	-1	0	266.272	3.000	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000864581283	629871871	/nfs/dbraw/zinc/87/18/71/629871871.db2.gz	LTNWXIYLLXUQNV-LBPRGKRZSA-N	-1	0	296.754	3.021	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H](C)CC(C)C	ZINC000799112307	630144107	/nfs/dbraw/zinc/14/41/07/630144107.db2.gz	RQMXBCFCQHRHAH-NSHDSACASA-N	-1	0	278.352	3.473	20	30		CGEDRM
CC(C)(C#N)CCONC(=O)CCC1CCCCC1	ZINC000799961116	630246475	/nfs/dbraw/zinc/24/64/75/630246475.db2.gz	BLXHACWFWBJQTF-UHFFFAOYSA-N	-1	0	266.385	3.335	20	30		CGEDRM
CC(=NOC/C=C\Cl)c1ccc(C(=O)[O-])c(F)c1	ZINC000811672441	631109432	/nfs/dbraw/zinc/10/94/32/631109432.db2.gz	YZUCQTLFNIDXAP-QHFDXLHDSA-N	-1	0	271.675	3.017	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811812409	631122519	/nfs/dbraw/zinc/12/25/19/631122519.db2.gz	QXHUZTMYQJPDBE-UHFFFAOYSA-N	-1	0	281.739	3.076	20	30		CGEDRM
CC(C)OCCON=C1C[C@@H](C)c2c1c(O)ccc2F	ZINC000812240607	631230418	/nfs/dbraw/zinc/23/04/18/631230418.db2.gz	WNJGXYMEKWBGAI-SNVBAGLBSA-N	-1	0	281.327	3.184	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814693274	631625016	/nfs/dbraw/zinc/62/50/16/631625016.db2.gz	GSOBIBNJXGAAEH-VHSXEESVSA-N	-1	0	264.300	3.114	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814693273	631625215	/nfs/dbraw/zinc/62/52/15/631625215.db2.gz	GSOBIBNJXGAAEH-UWVGGRQHSA-N	-1	0	264.300	3.114	20	30		CGEDRM
CC(C)c1cnc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000814768844	631635624	/nfs/dbraw/zinc/63/56/24/631635624.db2.gz	NTPZVJFFFNEXKS-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(F)cn1	ZINC000814768448	631635718	/nfs/dbraw/zinc/63/57/18/631635718.db2.gz	BWYRYJPYFBKGDB-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
C[C@H]1C(=NOCc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814791409	631639422	/nfs/dbraw/zinc/63/94/22/631639422.db2.gz	GLVAKPZGJHREJP-YPMHNXCESA-N	-1	0	261.321	3.080	20	30		CGEDRM
C[C@H]1C(=NNC2CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814832382	631650813	/nfs/dbraw/zinc/65/08/13/631650813.db2.gz	DDIXSYIUFZYAPZ-JQWIXIFHSA-N	-1	0	266.385	3.032	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(Cl)nc2)CC[C@H]1CC(=O)[O-]	ZINC000814858987	631656403	/nfs/dbraw/zinc/65/64/03/631656403.db2.gz	KWDBWOTXGJNQDZ-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN=C(C)c1cnccn1	ZINC000814860039	631657695	/nfs/dbraw/zinc/65/76/95/631657695.db2.gz	AZRXOMYVRDFZKI-UHFFFAOYSA-N	-1	0	290.367	3.087	20	30		CGEDRM
C[C@H]1CC(=NNCc2ccc(Cl)cc2)CC[C@H]1C(=O)[O-]	ZINC000814873232	631661446	/nfs/dbraw/zinc/66/14/46/631661446.db2.gz	SCLWVRKMMBVGSO-IINYFYTJSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CC(=NNc1cc(Cl)ccn1)c1csc(C(=O)[O-])c1	ZINC000814897901	631669468	/nfs/dbraw/zinc/66/94/68/631669468.db2.gz	GEIPRNAKSSYRRL-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
CC(N=Nc1ccnc(F)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814902013	631671263	/nfs/dbraw/zinc/67/12/63/631671263.db2.gz	DJJWHRVUZIUZJW-PWSUYJOCSA-N	-1	0	293.342	3.146	20	30		CGEDRM
CCC(CC)CNN=Cc1cc(C(=O)[O-])c(C)cc1C	ZINC000814906056	631674952	/nfs/dbraw/zinc/67/49/52/631674952.db2.gz	DPLJDPLYUCOPDM-UHFFFAOYSA-N	-1	0	276.380	3.361	20	30		CGEDRM
C[C@@H]1C(=NOC2CCCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814909227	631676551	/nfs/dbraw/zinc/67/65/51/631676551.db2.gz	FLHOETPMXLSROB-WDEREUQCSA-N	-1	0	253.342	3.213	20	30		CGEDRM
C[C@@H]1C(=NOC/C=C/Cl)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814933886	631688872	/nfs/dbraw/zinc/68/88/72/631688872.db2.gz	DPELQOMDPBEMEB-TWQSPIJBSA-N	-1	0	273.760	3.268	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NOC/C=C\Cl	ZINC000814934410	631689632	/nfs/dbraw/zinc/68/96/32/631689632.db2.gz	UPIGPPAKNNLGBX-MTTUKDABSA-N	-1	0	264.083	3.288	20	30		CGEDRM
CC[C@H](NN=C1CCCC[C@H]1C1=CCCCC1)C(=O)[O-]	ZINC000814936848	631690546	/nfs/dbraw/zinc/69/05/46/631690546.db2.gz	LYCXZWVZZCRRIG-KBPBESRZSA-N	-1	0	278.396	3.486	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@@H](C)C(C)(C)C	ZINC000814937429	631691528	/nfs/dbraw/zinc/69/15/28/631691528.db2.gz	GEIRPJRCZAAPEZ-LBPRGKRZSA-N	-1	0	276.380	3.360	20	30		CGEDRM
O=C([N-]C1(C(F)(F)F)CCCCC1)C(F)C(F)(F)F	ZINC000815577797	631797982	/nfs/dbraw/zinc/79/79/82/631797982.db2.gz	ZHTRPLLMAHPENC-ZCFIWIBFSA-N	-1	0	295.198	3.268	20	30		CGEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]Oc1ccccc1	ZINC000816684517	632041388	/nfs/dbraw/zinc/04/13/88/632041388.db2.gz	FBKVOGXIIVUMIB-AWEZNQCLSA-N	-1	0	278.352	3.068	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OC[C@H](C)CC)c1ccccc1	ZINC000816978927	632068611	/nfs/dbraw/zinc/06/86/11/632068611.db2.gz	DORMYDDHHJKQTL-HIFRSBDPSA-N	-1	0	261.365	3.440	20	30		CGEDRM
CN(C)c1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1	ZINC000017354079	633403053	/nfs/dbraw/zinc/40/30/53/633403053.db2.gz	TUYBADKHDCWVJW-UITAMQMPSA-N	-1	0	285.318	3.493	20	30		CGEDRM
C=C1CCC(CNC(=O)c2cc(F)c([O-])c(F)c2)CC1	ZINC000830994321	633906915	/nfs/dbraw/zinc/90/69/15/633906915.db2.gz	JIYALQAOBDWWLD-UHFFFAOYSA-N	-1	0	281.302	3.147	20	30		CGEDRM
O=C([O-])c1ccc(N=NC(C2CCC2)[C@@H]2CCCO2)cc1	ZINC000872323939	634108564	/nfs/dbraw/zinc/10/85/64/634108564.db2.gz	FQPQIZUQNVIOQW-AWEZNQCLSA-N	-1	0	288.347	3.132	20	30		CGEDRM
CC(C)C1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000872380088	634127569	/nfs/dbraw/zinc/12/75/69/634127569.db2.gz	ULBNTYFKBCCMBC-UHFFFAOYSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cccc(CC(=O)[O-])c1	ZINC000872751666	634202418	/nfs/dbraw/zinc/20/24/18/634202418.db2.gz	GJJCCEGINYGCCX-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
CCC(=NNC1CC[C@@H](c2ccc(Cl)cc2)C1)C(=O)[O-]	ZINC000834981184	634303092	/nfs/dbraw/zinc/30/30/92/634303092.db2.gz	JOMMZOKAPBOUAV-BXUZGUMPSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CCCCC(COC)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009936	634314224	/nfs/dbraw/zinc/31/42/24/634314224.db2.gz	ISXAJHBRLBBSQE-UHFFFAOYSA-N	-1	0	282.315	3.128	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC1(C)C	ZINC000125928254	634831372	/nfs/dbraw/zinc/83/13/72/634831372.db2.gz	NEBZFYNNBSCCMG-CHWSQXEVSA-N	-1	0	294.354	3.414	20	30		CGEDRM
CCCCCCCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000104148997	635114838	/nfs/dbraw/zinc/11/48/38/635114838.db2.gz	BGNVHQUYTUYXRS-KBPBESRZSA-N	-1	0	281.396	3.130	20	30		CGEDRM
CC[C@H](NN=C1CC[C@@H](c2cccc(Cl)c2)C1)C(=O)[O-]	ZINC000841642492	635206584	/nfs/dbraw/zinc/20/65/84/635206584.db2.gz	SJYVLIHBEMAAOY-RISCZKNCSA-N	-1	0	294.782	3.416	20	30		CGEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000844005468	635805727	/nfs/dbraw/zinc/80/57/27/635805727.db2.gz	OGLXFNLXRDOYNY-SNVBAGLBSA-N	-1	0	295.741	3.060	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000844622949	635944791	/nfs/dbraw/zinc/94/47/91/635944791.db2.gz	JKTALEQCCTWEGP-LBPRGKRZSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccccc2Cl)CCC1	ZINC000846531994	636193410	/nfs/dbraw/zinc/19/34/10/636193410.db2.gz	KLOVDCKVUCYRDM-UHFFFAOYSA-N	-1	0	279.767	3.386	20	30		CGEDRM
C=C(C)CO[N-]C(=O)COc1ccccc1[C@@H](C)CC	ZINC000846538237	636195031	/nfs/dbraw/zinc/19/50/31/636195031.db2.gz	SBDONKJWRPJVDT-ZDUSSCGKSA-N	-1	0	277.364	3.203	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	ZINC000846539084	636196475	/nfs/dbraw/zinc/19/64/75/636196475.db2.gz	XICRQAXIQRGBOF-NSHDSACASA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2)CCCC1	ZINC000846545310	636198174	/nfs/dbraw/zinc/19/81/74/636198174.db2.gz	VRRQKQLQHTWBJL-ZDUSSCGKSA-N	-1	0	259.349	3.121	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]O[C@H](C)C=C)c1ccccc1	ZINC000846547740	636199394	/nfs/dbraw/zinc/19/93/94/636199394.db2.gz	FLTKHDQVQXNHTN-HIFRSBDPSA-N	-1	0	259.349	3.359	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCC1	ZINC000846552009	636200813	/nfs/dbraw/zinc/20/08/13/636200813.db2.gz	ZBZRYEHUQWQNII-ZDUSSCGKSA-N	-1	0	289.375	3.048	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2c(F)cccc2F)CCC1	ZINC000846554598	636202192	/nfs/dbraw/zinc/20/21/92/636202192.db2.gz	MKXKFIIIVRELAT-JTQLQIEISA-N	-1	0	281.302	3.009	20	30		CGEDRM
C=CC[C@H](C)C(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848416073	636571244	/nfs/dbraw/zinc/57/12/44/636571244.db2.gz	XXASUFCCCPELFK-NSHDSACASA-N	-1	0	260.337	3.314	20	30		CGEDRM
Cc1c(N=NC2CC[C@H](C)SC2)cccc1C(=O)[O-]	ZINC000848415662	636571468	/nfs/dbraw/zinc/57/14/68/636571468.db2.gz	WYSBLRGBAPANDB-VIFPVBQESA-N	-1	0	278.377	3.377	20	30		CGEDRM
C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000848923551	636694018	/nfs/dbraw/zinc/69/40/18/636694018.db2.gz	GMFRASMKEJDSNM-JTQLQIEISA-N	-1	0	267.731	3.030	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1/N=C\c1c(O)c(C)ncc1CO	ZINC000849170507	636761516	/nfs/dbraw/zinc/76/15/16/636761516.db2.gz	MODOZMITVZZOBW-WJYNFUASSA-N	-1	0	288.391	3.142	20	30		CGEDRM
CC1(C)CCC[C@H]1NN=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853341168	637817233	/nfs/dbraw/zinc/81/72/33/637817233.db2.gz	ORBZARYTCFSYGD-CYBMUJFWSA-N	-1	0	278.327	3.026	20	30		CGEDRM
C=CC[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000853354976	637823198	/nfs/dbraw/zinc/82/31/98/637823198.db2.gz	ZJYUFWGASVATAE-NSHDSACASA-N	-1	0	273.336	3.314	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCSCC2)cc1F	ZINC000853354495	637823451	/nfs/dbraw/zinc/82/34/51/637823451.db2.gz	LPDRBOJCSJEWQN-UHFFFAOYSA-N	-1	0	282.340	3.209	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1cccc(C(=O)[O-])c1Cl	ZINC000853381487	637830617	/nfs/dbraw/zinc/83/06/17/637830617.db2.gz	DOSOUYDORJEGOX-JTQLQIEISA-N	-1	0	280.755	3.247	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN1CCCC[C@@H]1C	ZINC000853382090	637831552	/nfs/dbraw/zinc/83/15/52/637831552.db2.gz	SGJAQXDDVMIXGN-ZDUSSCGKSA-N	-1	0	274.364	3.210	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1F	ZINC000853438338	637842989	/nfs/dbraw/zinc/84/29/89/637842989.db2.gz	XXCYZXAVWVONMC-GHMZBOCLSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](OC(C)(C)C)c1ccccc1	ZINC000856034290	638289449	/nfs/dbraw/zinc/28/94/49/638289449.db2.gz	KNOTVMLABSODCJ-CQSZACIVSA-N	-1	0	277.364	3.167	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c(C)c1	ZINC000042275600	639915057	/nfs/dbraw/zinc/91/50/57/639915057.db2.gz	WKNBVMOJOPRBQP-CYBMUJFWSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)C1CC1	ZINC000048472519	640054822	/nfs/dbraw/zinc/05/48/22/640054822.db2.gz	KQROUZXVDZRBLD-FMIVXFBMSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CC1	ZINC000048496674	640056754	/nfs/dbraw/zinc/05/67/54/640056754.db2.gz	YLOVKNZLOBLPQI-VQHVLOKHSA-N	-1	0	299.779	3.342	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC=CCC1	ZINC000077880076	640266240	/nfs/dbraw/zinc/26/62/40/640266240.db2.gz	MHLLBPSCEVBZCF-TZMCWYRMSA-N	-1	0	293.388	3.390	20	30		CGEDRM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000254347552	640908517	/nfs/dbraw/zinc/90/85/17/640908517.db2.gz	JCBDBOWOQYOUJO-UHFFFAOYSA-N	-1	0	284.344	3.391	20	30		CGEDRM
C=C[C@@H](Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-]	ZINC000301053031	963063024	/nfs/dbraw/zinc/06/30/24/963063024.db2.gz	XIMNLHVWIRFVBO-MRVPVSSYSA-N	-1	0	264.083	3.184	20	30		CGEDRM
COCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001211644230	814924534	/nfs/dbraw/zinc/92/45/34/814924534.db2.gz	WCOZIPXLPQDPSH-UHFFFAOYSA-N	-1	0	288.278	3.129	20	30		CGEDRM
N#Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001250587274	805709473	/nfs/dbraw/zinc/70/94/73/805709473.db2.gz	IGHIFALDBJBFEF-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C#N)ccc1F	ZINC001250632853	805739870	/nfs/dbraw/zinc/73/98/70/805739870.db2.gz	NXJCGSKJFMYNOD-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(F)c(C#N)c1	ZINC001250636628	805741581	/nfs/dbraw/zinc/74/15/81/805741581.db2.gz	MLZZNCPPOCJZQN-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(F)c(C#N)c1	ZINC001250636550	805742356	/nfs/dbraw/zinc/74/23/56/805742356.db2.gz	HHOZOIHJAVRJFU-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCC(C)C)c1	ZINC000046929381	798891662	/nfs/dbraw/zinc/89/16/62/798891662.db2.gz	BQQGRRJLARWGRN-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000255525583	799172056	/nfs/dbraw/zinc/17/20/56/799172056.db2.gz	ZCQOSWSBDAIGHS-YWEYNIOJSA-N	-1	0	299.301	3.386	20	30		CGEDRM
N#CCc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1	ZINC000313457148	799232091	/nfs/dbraw/zinc/23/20/91/799232091.db2.gz	ZJXMNIUYCQBVBT-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
Cc1cncc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c1	ZINC000588476176	799698090	/nfs/dbraw/zinc/69/80/90/799698090.db2.gz	DQRXPVOVTNICBT-IHWYPQMZSA-N	-1	0	275.254	3.270	20	30		CGEDRM
Cc1cccn2c(C=CC(=O)c3sccc3[O-])cnc12	ZINC000588495761	799701260	/nfs/dbraw/zinc/70/12/60/799701260.db2.gz	PBZRVJYFXKXBER-PLNGDYQASA-N	-1	0	284.340	3.306	20	30		CGEDRM
CCOC(=O)c1ccc(C=CC(=O)c2sccc2[O-])o1	ZINC000588495662	799701477	/nfs/dbraw/zinc/70/14/77/799701477.db2.gz	HARPAIIUEHASHI-HYXAFXHYSA-N	-1	0	292.312	3.120	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccccc2F)ccc1O	ZINC000809152172	800412614	/nfs/dbraw/zinc/41/26/14/800412614.db2.gz	NWXMICCXVJNFRJ-FNORWQNLSA-N	-1	0	286.258	3.126	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccsc2)ccc1O	ZINC000809154434	800413524	/nfs/dbraw/zinc/41/35/24/800413524.db2.gz	VJTSFLISCZMJGU-HNQUOIGGSA-N	-1	0	274.297	3.048	20	30		CGEDRM
CC(C)CON=c1nccc(Oc2cccc(C#N)c2)[n-]1	ZINC001119340051	802651331	/nfs/dbraw/zinc/65/13/31/802651331.db2.gz	IFZAKFPDRMQQTN-UHFFFAOYSA-N	-1	0	284.319	3.140	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cc(F)c([O-])c(F)c2)n1	ZINC001244094684	803182164	/nfs/dbraw/zinc/18/21/64/803182164.db2.gz	RLHINJGWWJCZLT-UHFFFAOYSA-N	-1	0	293.298	3.029	20	30		CGEDRM
N#CC1(c2ccnc(-c3cc(F)c([O-])c(F)c3)c2)CC1	ZINC001244096067	803184358	/nfs/dbraw/zinc/18/43/58/803184358.db2.gz	VKPVUPGDBMJKHW-UHFFFAOYSA-N	-1	0	272.254	3.288	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2cc(F)c(O)c(F)c2)c1	ZINC001244097871	803185385	/nfs/dbraw/zinc/18/53/85/803185385.db2.gz	SOMMXNDFPOLEKU-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(F)cc2CC#N)c1	ZINC001244177840	803227678	/nfs/dbraw/zinc/22/76/78/803227678.db2.gz	NZZIDDDDQJPURI-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
O=C([O-])CCc1ccc(-c2cccc(/C=N/O)c2)cc1	ZINC001244190540	803235049	/nfs/dbraw/zinc/23/50/49/803235049.db2.gz	FRRYOKNLOQZERB-GZTJUZNOSA-N	-1	0	269.300	3.179	20	30		CGEDRM
Cc1cc(-c2ccc(C#N)cc2Cl)cnc1C(=O)[O-]	ZINC001244329351	803308125	/nfs/dbraw/zinc/30/81/25/803308125.db2.gz	RJJJGPZBTVSGRZ-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(Cl)cc1[O-]	ZINC001244469336	803385545	/nfs/dbraw/zinc/38/55/45/803385545.db2.gz	HXBXGEOMGQPJSR-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)nc1F	ZINC001244610514	803463469	/nfs/dbraw/zinc/46/34/69/803463469.db2.gz	HNAZKQPURMXLED-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
N#Cc1cccnc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244610628	803464359	/nfs/dbraw/zinc/46/43/59/803464359.db2.gz	PFYYQUYTOZDWHU-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1nccc2cc(-c3cnc(F)c(C(=O)[O-])c3)ccc21	ZINC001244754471	803520754	/nfs/dbraw/zinc/52/07/54/803520754.db2.gz	HASPQPHWSIEEND-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cc(-c2ncc(F)cc2C#N)cc(C)c1C(=O)[O-]	ZINC001244945704	803585752	/nfs/dbraw/zinc/58/57/52/803585752.db2.gz	KSBPSVHGMICIJF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cc(C)c(C(=O)[O-])c(C)c1	ZINC001244945713	803585948	/nfs/dbraw/zinc/58/59/48/803585948.db2.gz	LHFQRIWOPQJFTJ-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
O=C(C#Cc1cccs1)Nc1cccc(Cl)c1[O-]	ZINC001137933211	803800657	/nfs/dbraw/zinc/80/06/57/803800657.db2.gz	XLRPPNBDIXVLSK-UHFFFAOYSA-N	-1	0	277.732	3.097	20	30		CGEDRM
Cc1nc(-c2cc([O-])c(F)c(F)c2F)ccc1C#N	ZINC001245636451	803872614	/nfs/dbraw/zinc/87/26/14/803872614.db2.gz	YKRPRVCXVRSSIO-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#CCCn1[n-]c(-c2ccc(Cl)c(Cl)c2)cc1=O	ZINC001245927129	804055641	/nfs/dbraw/zinc/05/56/41/804055641.db2.gz	MUFHOBIFJSWZOE-UHFFFAOYSA-N	-1	0	282.130	3.476	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(CCc3ccccc3)[n-]2)cc1	ZINC001245932183	804060368	/nfs/dbraw/zinc/06/03/68/804060368.db2.gz	CUQRVMNGWBEJQV-UHFFFAOYSA-N	-1	0	289.338	3.370	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccccc3)[n-]2)c1	ZINC001245936551	804068341	/nfs/dbraw/zinc/06/83/41/804068341.db2.gz	APJYUTIVQRBTQL-UHFFFAOYSA-N	-1	0	261.284	3.117	20	30		CGEDRM
N#CCCN(CCC#N)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140833573	804532115	/nfs/dbraw/zinc/53/21/15/804532115.db2.gz	XEDRBABGUQCGER-UHFFFAOYSA-N	-1	0	298.173	3.328	20	30		CGEDRM
C=CCCNC(=S)Nc1cc(Cl)ccc1[S-]	ZINC001247643638	804791776	/nfs/dbraw/zinc/79/17/76/804791776.db2.gz	HLJWXVXLSBRTBE-UHFFFAOYSA-N	-1	0	272.826	3.491	20	30		CGEDRM
CC#Cc1nc(-c2ccc3[n-]c(=S)sc3c2)no1	ZINC001247985309	804864763	/nfs/dbraw/zinc/86/47/63/804864763.db2.gz	RQSALFAUBKDAKE-UHFFFAOYSA-N	-1	0	273.342	3.006	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212513312	815045349	/nfs/dbraw/zinc/04/53/49/815045349.db2.gz	KLIDCAPHSFLQNA-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212514524	815045828	/nfs/dbraw/zinc/04/58/28/815045828.db2.gz	XQTHWWDNENGFLX-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C=CC[N@H+](Cc1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C	ZINC001249779954	805242671	/nfs/dbraw/zinc/24/26/71/805242671.db2.gz	KGJYLXPVQWUWEB-UHFFFAOYSA-N	-1	0	283.318	3.450	20	30		CGEDRM
Cc1cccc2[nH]c(C(=O)Nc3ccc(C#N)cc3O)cc21	ZINC001151076956	805280612	/nfs/dbraw/zinc/28/06/12/805280612.db2.gz	DFJDURAAXNWUDD-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
N#CCCCCNc1cc(Br)cc(C(=O)[O-])c1	ZINC001168433419	807414229	/nfs/dbraw/zinc/41/42/29/807414229.db2.gz	CANCVEGHHAFLQP-UHFFFAOYSA-N	-1	0	297.152	3.253	20	30		CGEDRM
Cc1ccc(-c2nnc(-c3ccc([O-])c(C#N)c3)o2)cc1F	ZINC001258799586	807621449	/nfs/dbraw/zinc/62/14/49/807621449.db2.gz	GYFOQSYEMXELGR-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC001265982340	808199202	/nfs/dbraw/zinc/19/92/02/808199202.db2.gz	NRADZYDWMROWAX-AWEZNQCLSA-N	-1	0	280.755	3.104	20	30		CGEDRM
N#Cc1cc(Nc2ccnc3ccccc32)c([O-])cc1F	ZINC001174038917	808836862	/nfs/dbraw/zinc/83/68/62/808836862.db2.gz	GHWJDZYOZYNRAY-UHFFFAOYSA-N	-1	0	279.274	3.117	20	30		CGEDRM
COCc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174106126	808869271	/nfs/dbraw/zinc/86/92/71/808869271.db2.gz	LQZIEWCPUKZZDU-UHFFFAOYSA-N	-1	0	272.279	3.293	20	30		CGEDRM
N#Cc1cc(Nc2ccc(CC(=O)[O-])cc2)cc(F)c1F	ZINC001174954986	809214487	/nfs/dbraw/zinc/21/44/87/809214487.db2.gz	WQKJGUPMTJOWOY-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1noc([N-]c2c(F)ccc(F)c2F)c1C#N	ZINC001175024739	809242852	/nfs/dbraw/zinc/24/28/52/809242852.db2.gz	AMVCUPCNGKDGGD-UHFFFAOYSA-N	-1	0	253.183	3.016	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)cs1	ZINC001175158485	809292557	/nfs/dbraw/zinc/29/25/57/809292557.db2.gz	OPZSVRHCSLQTLB-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223099	809313749	/nfs/dbraw/zinc/31/37/49/809313749.db2.gz	BACQBEXPLHEYBE-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
C[C@@H](C#N)c1ccc(Nc2cncc(C(=O)[O-])c2)cc1	ZINC001175841650	809553017	/nfs/dbraw/zinc/55/30/17/809553017.db2.gz	PROYXEFIJFKCJE-JTQLQIEISA-N	-1	0	267.288	3.150	20	30		CGEDRM
COc1cc(Nc2oc(C)c(C)c2C#N)cc(C(=O)[O-])c1	ZINC001213587002	815307032	/nfs/dbraw/zinc/30/70/32/815307032.db2.gz	YHFHTYZGXLCAHD-UHFFFAOYSA-N	-1	0	286.287	3.219	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176583271	809724073	/nfs/dbraw/zinc/72/40/73/809724073.db2.gz	VWZSOLZCABBYBN-UHFFFAOYSA-N	-1	0	284.340	3.480	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1	ZINC001180210953	809984438	/nfs/dbraw/zinc/98/44/38/809984438.db2.gz	REEGPAQMCCHHFH-UHFFFAOYSA-N	-1	0	271.703	3.279	20	30		CGEDRM
Cc1sc([N-]S(=O)(=O)c2ccsc2)c(C#N)c1C	ZINC001185341675	810257159	/nfs/dbraw/zinc/25/71/59/810257159.db2.gz	CNSNQNJOKFTUCF-UHFFFAOYSA-N	-1	0	298.414	3.099	20	30		CGEDRM
N#Cc1cnccc1Nc1cc(Cl)cc(Cl)c1[O-]	ZINC001214015454	815356694	/nfs/dbraw/zinc/35/66/94/815356694.db2.gz	RJNTVUYRMLHKBM-UHFFFAOYSA-N	-1	0	280.114	3.131	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2cc(F)c([O-])cc2F)s1	ZINC001192852486	810824080	/nfs/dbraw/zinc/82/40/80/810824080.db2.gz	CJFGOKOGRPJOFO-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
C[C@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514816	810902125	/nfs/dbraw/zinc/90/21/25/810902125.db2.gz	HSNYAXVXKXZDBP-CYBMUJFWSA-N	-1	0	294.354	3.015	20	30		CGEDRM
N#Cc1cccc(Nc2cc(F)c([O-])c(Cl)c2)n1	ZINC001214482585	815416760	/nfs/dbraw/zinc/41/67/60/815416760.db2.gz	CIVJBYRLJDVLMV-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1ccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)cn1	ZINC001214738833	815447251	/nfs/dbraw/zinc/44/72/51/815447251.db2.gz	UQMJCDKQHPZCPO-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
C=CCNC(=O)Nc1c(Cl)ccc([O-])c1Cl	ZINC001202570354	812125288	/nfs/dbraw/zinc/12/52/88/812125288.db2.gz	VJSAJGPIUMFPKS-UHFFFAOYSA-N	-1	0	261.108	3.007	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2c(F)ccc([N+](=O)[O-])c2F)c1	ZINC001215298110	815504111	/nfs/dbraw/zinc/50/41/11/815504111.db2.gz	YQSBJWHVOQAGPP-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
COc1ccc(Nc2ccsc2C(=O)[O-])c(C#N)c1	ZINC001215391625	815514763	/nfs/dbraw/zinc/51/47/63/815514763.db2.gz	DLDJAKUAZIMEIH-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1F	ZINC001203324905	812311795	/nfs/dbraw/zinc/31/17/95/812311795.db2.gz	RZIWMADEUGFTCB-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(O)cc1F	ZINC001215571605	815537142	/nfs/dbraw/zinc/53/71/42/815537142.db2.gz	FLZKBARCKBKZGJ-UHFFFAOYSA-N	-1	0	268.244	3.053	20	30		CGEDRM
N#CCc1cccc(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205089326	812857394	/nfs/dbraw/zinc/85/73/94/812857394.db2.gz	SHFRGOUJCHBHNB-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3ccc(F)c(C(=O)[O-])c3F)cc12	ZINC001205100625	812864911	/nfs/dbraw/zinc/86/49/11/812864911.db2.gz	UDEIEEDUOKHRLQ-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206045360	813180412	/nfs/dbraw/zinc/18/04/12/813180412.db2.gz	SJOMETSKSFLIPL-UHFFFAOYSA-N	-1	0	299.236	3.030	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1ccc([O-])cc1F	ZINC001206051991	813183240	/nfs/dbraw/zinc/18/32/40/813183240.db2.gz	WGAUTQBFUOFTGU-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1c(-c2csc(C(=O)[O-])c2)ncc2c1CCCC2	ZINC001206272242	813265992	/nfs/dbraw/zinc/26/59/92/813265992.db2.gz	HQCIAQLSMLCMAG-UHFFFAOYSA-N	-1	0	284.340	3.259	20	30		CGEDRM
N#Cc1cc2nc(-c3cc(F)c([O-])cc3F)ccc2[nH]1	ZINC001206768475	813430956	/nfs/dbraw/zinc/43/09/56/813430956.db2.gz	VGNGFACEGRRVAH-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209888287	814188572	/nfs/dbraw/zinc/18/85/72/814188572.db2.gz	AMWBKASFPNKSEH-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001209893762	814191415	/nfs/dbraw/zinc/19/14/15/814191415.db2.gz	MSXRQAJISDVLSA-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
COc1ccc(Nc2cc(C)cc(C#N)c2)cc1C(=O)[O-]	ZINC001209904180	814195298	/nfs/dbraw/zinc/19/52/98/814195298.db2.gz	CLQHPELGCJIXLD-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)cc2OC)cc1C(=O)[O-]	ZINC001209903214	814195408	/nfs/dbraw/zinc/19/54/08/814195408.db2.gz	QWJKOUNIIASMSC-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210076026	814275649	/nfs/dbraw/zinc/27/56/49/814275649.db2.gz	BPPCHXLHMWYCSI-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210242117	814361260	/nfs/dbraw/zinc/36/12/60/814361260.db2.gz	BZLPVPONAWJDIU-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210377028	814431888	/nfs/dbraw/zinc/43/18/88/814431888.db2.gz	VPADFTSMCMIDLO-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
COc1c(F)cccc1Nc1scc([O-])c1C#N	ZINC001210404306	814447232	/nfs/dbraw/zinc/44/72/32/814447232.db2.gz	QFLIQDMNTWKUQI-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
Cc1cc(Nc2cnc(C#N)c(Cl)c2)cc(C(=O)[O-])c1	ZINC001211539114	814903513	/nfs/dbraw/zinc/90/35/13/814903513.db2.gz	GJBLTOLHIXUSEK-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(Nc2cc(Cl)cnc2C#N)cc(C(=O)[O-])c1	ZINC001211542402	814903519	/nfs/dbraw/zinc/90/35/19/814903519.db2.gz	IRTNOIBNNYEKOI-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cc(C)cc(C(=O)[O-])c1	ZINC001211547758	814905412	/nfs/dbraw/zinc/90/54/12/814905412.db2.gz	XBRYABSHDYUCDJ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])cc2C)ccc1C#N	ZINC001211624861	814920429	/nfs/dbraw/zinc/92/04/29/814920429.db2.gz	WUDDSSWXUQXYAQ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(O)c(C#N)c1	ZINC001211624263	814920843	/nfs/dbraw/zinc/92/08/43/814920843.db2.gz	ARHQPTZDTKEBLV-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
CSc1ncc(C)cc1Nc1scc([O-])c1C#N	ZINC001216240880	815752206	/nfs/dbraw/zinc/75/22/06/815752206.db2.gz	JZHFCGRPNCVRIA-UHFFFAOYSA-N	-1	0	277.374	3.494	20	30		CGEDRM
CCc1cc(Nc2cc(=O)[n-]c(Cl)n2)ccc1C#N	ZINC001216316007	815777934	/nfs/dbraw/zinc/77/79/34/815777934.db2.gz	GAJZCUGGKGEFPP-UHFFFAOYSA-N	-1	0	274.711	3.013	20	30		CGEDRM
Cc1c(Nc2ccsc2C#N)cccc1C(=O)[O-]	ZINC001216657610	815886766	/nfs/dbraw/zinc/88/67/66/815886766.db2.gz	FSFJOFGYDYCWMT-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1c(Nc2c(C#N)cnn2C(C)C)cccc1C(=O)[O-]	ZINC001216657703	815886854	/nfs/dbraw/zinc/88/68/54/815886854.db2.gz	IXZOSQIOGDTTDL-UHFFFAOYSA-N	-1	0	284.319	3.086	20	30		CGEDRM
Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1C#N	ZINC001216680998	815891913	/nfs/dbraw/zinc/89/19/13/815891913.db2.gz	KIHWGCIGZIOJHB-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3ccccc3F)no2)c1[O-]	ZINC001216979186	815904033	/nfs/dbraw/zinc/90/40/33/815904033.db2.gz	ZPSVTKXUSNWAIN-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
Cc1cccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1F	ZINC001216969683	815904245	/nfs/dbraw/zinc/90/42/45/815904245.db2.gz	MJHZXGCFTMJZMD-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1ccccc1C(=O)[O-]	ZINC001242879796	823162815	/nfs/dbraw/zinc/16/28/15/823162815.db2.gz	HVBUNRBQQZCOFY-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
N#Cc1c2cccnc2ccc1-c1ccccc1C(=O)[O-]	ZINC001242880315	823162817	/nfs/dbraw/zinc/16/28/17/823162817.db2.gz	BDSJSZBHVGJRMC-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2ccccc2C(=O)[O-])c1	ZINC001242881190	823163391	/nfs/dbraw/zinc/16/33/91/823163391.db2.gz	RXFKLKJHQYYPML-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1-c1ccc(S(=O)(=O)[O-])cc1	ZINC001222672873	816495955	/nfs/dbraw/zinc/49/59/55/816495955.db2.gz	RWAKEOBMIIXWGD-UHFFFAOYSA-N	-1	0	287.340	3.089	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cncnc1	ZINC001223593852	816655256	/nfs/dbraw/zinc/65/52/56/816655256.db2.gz	PNTDONNDIYSRIL-FCZKIDGVSA-N	-1	0	277.711	3.044	20	30		CGEDRM
[O-]/N=C(\OC1CC(F)(F)C1)c1ccc(Cl)cc1	ZINC001223594792	816655605	/nfs/dbraw/zinc/65/56/05/816655605.db2.gz	BMKNKYXFDMUULF-GDNBJRDFSA-N	-1	0	261.655	3.290	20	30		CGEDRM
CCC[C@@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893475	816699276	/nfs/dbraw/zinc/69/92/76/816699276.db2.gz	WHHQUOXOECYARG-ZEIZSXSISA-N	-1	0	267.325	3.045	20	30		CGEDRM
CCCCCCC[C@@H](C)OCCCS(=O)(=O)[O-]	ZINC001224894664	816904142	/nfs/dbraw/zinc/90/41/42/816904142.db2.gz	WNKQFFUUEDBIDR-GFCCVEGCSA-N	-1	0	266.403	3.030	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1ccc2c(c1)OCC2=O	ZINC001225340121	817016030	/nfs/dbraw/zinc/01/60/30/817016030.db2.gz	DBMYOAUQKDYVPJ-OAHLLOKOSA-N	-1	0	292.334	3.471	20	30		CGEDRM
N#CC[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001225489940	817072289	/nfs/dbraw/zinc/07/22/89/817072289.db2.gz	DNTJWNRBACGWQZ-CQSZACIVSA-N	-1	0	284.271	3.334	20	30		CGEDRM
N#CC[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001225619629	817115027	/nfs/dbraw/zinc/11/50/27/817115027.db2.gz	FPMPFZSTWHOHIV-ZDUSSCGKSA-N	-1	0	284.271	3.334	20	30		CGEDRM
C#CC[C@@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885609	817205991	/nfs/dbraw/zinc/20/59/91/817205991.db2.gz	NDAYZDLEHBESOL-ZCFIWIBFSA-N	-1	0	262.202	3.129	20	30		CGEDRM
C[C@@H]1CCC[C@H](C)[C@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008531	817246847	/nfs/dbraw/zinc/24/68/47/817246847.db2.gz	HYBXRSUXRVROFT-GDGBQDQQSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC[C@@H](C)CC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008170	817247058	/nfs/dbraw/zinc/24/70/58/817247058.db2.gz	FQCDCZYQQQWWFO-ZJUUUORDSA-N	-1	0	266.316	3.392	20	30		CGEDRM
C[C@@H]1CC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C[C@@H]1C	ZINC001226009673	817248597	/nfs/dbraw/zinc/24/85/97/817248597.db2.gz	ZDMCWHHUAFIHIY-YWVKMMECSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1c(F)cccc1F	ZINC001226013239	817249427	/nfs/dbraw/zinc/24/94/27/817249427.db2.gz	KWLUFXSDILBIAK-ZETCQYMHSA-N	-1	0	294.232	3.216	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccc(F)cc2)c1C#N	ZINC001226222356	817302337	/nfs/dbraw/zinc/30/23/37/817302337.db2.gz	YQQPTGGKSOCRQR-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCc3ccccc32)c1C#N	ZINC001226220750	817302360	/nfs/dbraw/zinc/30/23/60/817302360.db2.gz	ABKPDVTTWACLRP-AWEZNQCLSA-N	-1	0	266.300	3.034	20	30		CGEDRM
COc1cccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c1	ZINC001226221732	817302694	/nfs/dbraw/zinc/30/26/94/817302694.db2.gz	QFADUXJYTLQECO-NSHDSACASA-N	-1	0	284.315	3.116	20	30		CGEDRM
C=C[C@H](CCCC)Oc1nc[n-]c(=O)c1Br	ZINC001226721646	817445482	/nfs/dbraw/zinc/44/54/82/817445482.db2.gz	LEBYHPSVFXYLKA-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1	ZINC001243155776	823267336	/nfs/dbraw/zinc/26/73/36/823267336.db2.gz	PRXSUHUAHOWERP-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227709856	817699447	/nfs/dbraw/zinc/69/94/47/817699447.db2.gz	HGUMPMMOBDIDDY-MNOVXSKESA-N	-1	0	278.352	3.287	20	30		CGEDRM
Cc1ccc(-c2cnc3c(C#N)c[nH]c3c2)cc1C(=O)[O-]	ZINC001243194252	823284026	/nfs/dbraw/zinc/28/40/26/823284026.db2.gz	CGFICZDQJWPCBY-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243200320	823287169	/nfs/dbraw/zinc/28/71/69/823287169.db2.gz	GLWDIAQVIHUFCR-UHFFFAOYSA-N	-1	0	299.355	3.052	20	30		CGEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2cc(Br)ccc21	ZINC001228062439	817799908	/nfs/dbraw/zinc/79/99/08/817799908.db2.gz	NLQHNWWSKGMYNQ-SSDOTTSWSA-N	-1	0	295.136	3.051	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(C(=O)[O-])c(C)c1	ZINC001243212496	823294381	/nfs/dbraw/zinc/29/43/81/823294381.db2.gz	PYUDPJLZILWZTQ-UHFFFAOYSA-N	-1	0	293.326	3.291	20	30		CGEDRM
Cc1cc(-c2ccc3[nH]c(C#N)cc3n2)ccc1C(=O)[O-]	ZINC001243212762	823294401	/nfs/dbraw/zinc/29/44/01/823294401.db2.gz	UJDHDQVGNPGKPM-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228387954	817895536	/nfs/dbraw/zinc/89/55/36/817895536.db2.gz	SIIRZTUCABFGNB-VIFPVBQESA-N	-1	0	256.733	3.349	20	30		CGEDRM
Cc1cnc(-c2cc(Cl)cc(C(=O)[O-])c2)c(/C=N/O)c1	ZINC001243324476	823348064	/nfs/dbraw/zinc/34/80/64/823348064.db2.gz	RZRLUGFPZHOSLZ-REZTVBANSA-N	-1	0	290.706	3.217	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc([O-])c(F)c1F)CCC2	ZINC001243340085	823354474	/nfs/dbraw/zinc/35/44/74/823354474.db2.gz	QIOJWCMCVIPBLT-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
Cc1cc(=O)[n-]c(OC2[C@H](C)CCC[C@H]2C)c1C#N	ZINC001233919320	818730229	/nfs/dbraw/zinc/73/02/29/818730229.db2.gz	GMJPXZYEOHHESM-NXEZZACHSA-N	-1	0	260.337	3.171	20	30		CGEDRM
CC(C)Oc1ncccc1COc1ccccc1C=N[O-]	ZINC001234820584	818927756	/nfs/dbraw/zinc/92/77/56/818927756.db2.gz	XFWBKDPRLWUMRJ-UHFFFAOYSA-N	-1	0	286.331	3.256	20	30		CGEDRM
COc1cc(C#N)cc(C)c1O[C@H](C)C1=CC=C[CH]1	ZINC001234864340	818938007	/nfs/dbraw/zinc/93/80/07/818938007.db2.gz	DKOBFJQUINNPPV-GFCCVEGCSA-N	-1	0	254.309	3.343	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235030464	818982838	/nfs/dbraw/zinc/98/28/38/818982838.db2.gz	YHHMUSLECDKEOQ-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C#N)n1	ZINC001235457673	819104195	/nfs/dbraw/zinc/10/41/95/819104195.db2.gz	FGNNRVIETPBVDP-WEVVVXLNSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#CC1(c2ccc(-c3ccccc3S(=O)(=O)[O-])cc2)CC1	ZINC001243419805	823399915	/nfs/dbraw/zinc/39/99/15/823399915.db2.gz	DZDVBRUKNJTMPB-UHFFFAOYSA-N	-1	0	299.351	3.155	20	30		CGEDRM
Cc1ccc(F)c(-c2cc(C#N)nc(C3CC3)n2)c1[O-]	ZINC001236401620	819451172	/nfs/dbraw/zinc/45/11/72/819451172.db2.gz	AFWJNTFOCCRTET-UHFFFAOYSA-N	-1	0	269.279	3.046	20	30		CGEDRM
COc1ccc(C#N)cc1-c1ccccc1/C=C/C(=O)[O-]	ZINC001236543876	819531080	/nfs/dbraw/zinc/53/10/80/819531080.db2.gz	PUZDIAAHRDNSJZ-VQHVLOKHSA-N	-1	0	279.295	3.332	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243513294	823426890	/nfs/dbraw/zinc/42/68/90/823426890.db2.gz	BVRJMPQNOGKQGO-UHFFFAOYSA-N	-1	0	299.236	3.030	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1	ZINC001243604327	823463737	/nfs/dbraw/zinc/46/37/37/823463737.db2.gz	DEQPWGIBBZYVLZ-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1F	ZINC001243610723	823467111	/nfs/dbraw/zinc/46/71/11/823467111.db2.gz	PUMFHFNSXWDFTM-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1nc(C(C)C)ccc1C#N	ZINC001240733855	821287370	/nfs/dbraw/zinc/28/73/70/821287370.db2.gz	XDKMTSSVPPWYSP-UHFFFAOYSA-N	-1	0	296.326	3.450	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(CC#N)ccc1F	ZINC001240736655	821289365	/nfs/dbraw/zinc/28/93/65/821289365.db2.gz	HCNDLVCLNPMWJT-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C=C(C)c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC001240833401	821360418	/nfs/dbraw/zinc/36/04/18/821360418.db2.gz	WYHAVVSEFZCSFH-UHFFFAOYSA-N	-1	0	292.335	3.055	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1c(F)cc([O-])cc1F	ZINC001241122373	821578240	/nfs/dbraw/zinc/57/82/40/821578240.db2.gz	BHYWMDKKCPZDJQ-UHFFFAOYSA-N	-1	0	271.226	3.037	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2cccc(C(=O)[O-])c2)c1	ZINC001241360583	821762049	/nfs/dbraw/zinc/76/20/49/821762049.db2.gz	NLBBXXZUATWGPG-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cccc(CC(=O)[O-])c2)c1F	ZINC001242265172	822930785	/nfs/dbraw/zinc/93/07/85/822930785.db2.gz	SCPRCQZWACOIIS-UHFFFAOYSA-N	-1	0	273.238	3.131	20	30		CGEDRM
Cc1cc(-c2ccccc2/C=C/C(=O)[O-])cnc1C#N	ZINC001242355853	822964351	/nfs/dbraw/zinc/96/43/51/822964351.db2.gz	BMOZKFIFCOEDIV-VOTSOKGWSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Nc1cncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)c1	ZINC001242502480	823012513	/nfs/dbraw/zinc/01/25/13/823012513.db2.gz	ZZEHANVGIJNNTQ-PTXOJBNSSA-N	-1	0	281.237	3.158	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1	ZINC001343953582	936520610	/nfs/dbraw/zinc/52/06/10/936520610.db2.gz	LBTMAYREUUUYEQ-CQSZACIVSA-N	-1	0	293.322	3.211	20	30		CGEDRM
C=C(C)CCC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC001347574649	936889033	/nfs/dbraw/zinc/88/90/33/936889033.db2.gz	IWJWSIMRXZRBCA-UHFFFAOYSA-N	-1	0	267.369	3.027	20	30		CGEDRM
C[C@@H](Cc1ccsc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000124768673	926951325	/nfs/dbraw/zinc/95/13/25/926951325.db2.gz	ZKNABZRLGCKITH-CYANDVJASA-N	-1	0	290.344	3.412	20	30		CGEDRM
CCCCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H](C)CC	ZINC001362238558	937229935	/nfs/dbraw/zinc/22/99/35/937229935.db2.gz	IQDDWGMEVFEOHQ-LBPRGKRZSA-N	-1	0	289.379	3.008	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2ccc(F)c(O)c2)c1	ZINC001202786727	928738912	/nfs/dbraw/zinc/73/89/12/928738912.db2.gz	CMTPBRYVGPLINX-UHFFFAOYSA-N	-1	0	271.251	3.047	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1	ZINC001457012067	937437291	/nfs/dbraw/zinc/43/72/91/937437291.db2.gz	BMUIOGDUCIWCRO-UHFFFAOYSA-N	-1	0	291.228	3.043	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2c1cc(F)cc2F	ZINC001228901083	932047805	/nfs/dbraw/zinc/04/78/05/932047805.db2.gz	JCZDVQQTNXNCGS-ZDUSSCGKSA-N	-1	0	288.253	3.003	20	30		CGEDRM
C=C(C)C[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(=C)C	ZINC001228972963	932063500	/nfs/dbraw/zinc/06/35/00/932063500.db2.gz	FPAYCTAJICFDSW-LBPRGKRZSA-N	-1	0	279.292	3.296	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230665674	932605865	/nfs/dbraw/zinc/60/58/65/932605865.db2.gz	HESKOJXAQWFZAD-JQWIXIFHSA-N	-1	0	294.310	3.262	20	30		CGEDRM
N#C[C@@H]1CC[C@@H](Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1	ZINC001231044532	932664104	/nfs/dbraw/zinc/66/41/04/932664104.db2.gz	JYCCWTHYQSNWPK-RNFRBKRXSA-N	-1	0	297.145	3.336	20	30		CGEDRM
C=C1O[C@@H](CC)C(=O)C1Oc1cccc2oc(=S)[n-]c21	ZINC001231064595	932669690	/nfs/dbraw/zinc/66/96/90/932669690.db2.gz	GMTJBLBZVNPWOG-QMMMGPOBSA-N	-1	0	291.328	3.105	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CC(C2CC2)C2CC2)c1	ZINC001318980107	933806713	/nfs/dbraw/zinc/80/67/13/933806713.db2.gz	NVJQDWDDRIPNNA-UHFFFAOYSA-N	-1	0	270.332	3.029	20	30		CGEDRM
N#Cc1ccc(C(=O)N(c2ccccc2)C2CCC2)cc1[O-]	ZINC001470653871	937756164	/nfs/dbraw/zinc/75/61/64/937756164.db2.gz	UVEUVFCVAISEFO-UHFFFAOYSA-N	-1	0	292.338	3.463	20	30		CGEDRM
COC(=O)c1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC001324737093	934559655	/nfs/dbraw/zinc/55/96/55/934559655.db2.gz	TXWDYRRKYUVIRO-WAYWQWQTSA-N	-1	0	288.324	3.136	20	30		CGEDRM
CC[C@H](NN=Cc1ccc(-c2ccccc2)s1)C(=O)[O-]	ZINC001326113749	934952171	/nfs/dbraw/zinc/95/21/71/934952171.db2.gz	ZTVKYPCZQNWORX-ZDUSSCGKSA-N	-1	0	288.372	3.202	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3cnccc3c2)c1	ZINC001546332923	938000607	/nfs/dbraw/zinc/00/06/07/938000607.db2.gz	OWPSDQAQFAVERA-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1C	ZINC001523759391	938041242	/nfs/dbraw/zinc/04/12/42/938041242.db2.gz	DSCWZDLKJDTWCQ-AWEZNQCLSA-N	-1	0	298.367	3.453	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cccc(F)c2[O-])c(Cl)c1	ZINC001538775065	938120557	/nfs/dbraw/zinc/12/05/57/938120557.db2.gz	QLZCLIDCHFAASH-UHFFFAOYSA-N	-1	0	289.693	3.418	20	30		CGEDRM
Cc1ccc(C#N)cc1NCc1cccc(C(=O)[O-])c1	ZINC000235767329	949880687	/nfs/dbraw/zinc/88/06/87/949880687.db2.gz	DAWBYALWOAIRJS-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC000380355888	971690212	/nfs/dbraw/zinc/69/02/12/971690212.db2.gz	MCFXBGPTTTWMBY-UHFFFAOYSA-N	-1	0	273.332	3.079	20	30		CGEDRM
N#CC1(CC(=O)Nc2sccc2C(=O)[O-])CCCCC1	ZINC001594604440	956163098	/nfs/dbraw/zinc/16/30/98/956163098.db2.gz	VAUCOSCVTFIWJH-UHFFFAOYSA-N	-1	0	292.360	3.249	20	30		CGEDRM
N#Cc1ccc2c(c1)CCCN2Cc1ccc(C(=O)[O-])cc1	ZINC001594627799	956324665	/nfs/dbraw/zinc/32/46/65/956324665.db2.gz	WIOWTRGJEDHAPJ-UHFFFAOYSA-N	-1	0	292.338	3.209	20	30		CGEDRM
CCCCCCCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000147289864	958998305	/nfs/dbraw/zinc/99/83/05/958998305.db2.gz	HTDFLAWXSDYFCS-ZIAGYGMSSA-N	-1	0	283.412	3.354	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1CN(CCC#N)CC(C)C	ZINC000155975578	959044349	/nfs/dbraw/zinc/04/43/49/959044349.db2.gz	QLVLRTGVKVIRGI-UHFFFAOYSA-N	-1	0	280.393	3.126	20	30		CGEDRM
N#Cc1cc(NCc2cc(C(=O)[O-])co2)ccc1Cl	ZINC000228160781	959995787	/nfs/dbraw/zinc/99/57/87/959995787.db2.gz	HJLGLUNZVWJRDH-UHFFFAOYSA-N	-1	0	276.679	3.115	20	30		CGEDRM
C=CCO[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl	ZINC001569150458	960448024	/nfs/dbraw/zinc/44/80/24/960448024.db2.gz	AFTZYPASGMKRQV-UHFFFAOYSA-N	-1	0	296.100	3.319	20	30		CGEDRM
C=C[C@@H](Sc1ncnc2sc(C)c(C)c21)C(=O)[O-]	ZINC001588715239	963124487	/nfs/dbraw/zinc/12/44/87/963124487.db2.gz	UDPZEAVGTSDOTP-MRVPVSSYSA-N	-1	0	280.374	3.039	20	30		CGEDRM
C#C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccccc1	ZINC001588376649	963267150	/nfs/dbraw/zinc/26/71/50/963267150.db2.gz	WHJOLILJEYNXDU-ZDUSSCGKSA-N	-1	0	286.718	3.220	20	30		CGEDRM
C#C[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C(=O)[O-]	ZINC001588369365	963270938	/nfs/dbraw/zinc/27/09/38/963270938.db2.gz	JFPMTQBFKSDUSY-GFCCVEGCSA-N	-1	0	294.306	3.230	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c1	ZINC001588444430	963272113	/nfs/dbraw/zinc/27/21/13/963272113.db2.gz	BTWCHVWBBRSCQB-FZMZJTMJSA-N	-1	0	290.363	3.341	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC001588536633	963274071	/nfs/dbraw/zinc/27/40/71/963274071.db2.gz	SIALPXBOXWYEAY-VIFPVBQESA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=CCC1(NC(=O)c2cc(C)cc(C(=O)[O-])c2)CCCC1	ZINC001588457986	963278668	/nfs/dbraw/zinc/27/86/68/963278668.db2.gz	OEKZCHVBNISEOY-UHFFFAOYSA-N	-1	0	287.359	3.312	20	30		CGEDRM
C=C(C)CS[C@H](Cc1ccc(C)cc1)C(=O)[O-]	ZINC001588576995	963282498	/nfs/dbraw/zinc/28/24/98/963282498.db2.gz	KDKYLKMIFHYFAF-CYBMUJFWSA-N	-1	0	250.363	3.300	20	30		CGEDRM
C=C[C@H](S[C@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001588715582	963304617	/nfs/dbraw/zinc/30/46/17/963304617.db2.gz	ZOWYDJAARMWXMB-SKDRFNHKSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=C[C@H](S[C@@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001588715580	963305222	/nfs/dbraw/zinc/30/52/22/963305222.db2.gz	ZOWYDJAARMWXMB-CABZTGNLSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=CC[C@H](SC[C@@H]1OCCc2ccccc21)C(=O)[O-]	ZINC001588758386	963307983	/nfs/dbraw/zinc/30/79/83/963307983.db2.gz	FNUORNCAAHUUGS-KBPBESRZSA-N	-1	0	278.373	3.063	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588736401	963308813	/nfs/dbraw/zinc/30/88/13/963308813.db2.gz	YRJGKQLHHSOBES-ZDUSSCGKSA-N	-1	0	290.363	3.423	20	30		CGEDRM
C=CC[C@@H](Sc1nccn1Cc1ccccc1)C(=O)[O-]	ZINC001588759590	963308866	/nfs/dbraw/zinc/30/88/66/963308866.db2.gz	XLZFIWFRWWZHHT-CYBMUJFWSA-N	-1	0	288.372	3.053	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccccc1	ZINC001588778443	963315896	/nfs/dbraw/zinc/31/58/96/963315896.db2.gz	AREKYYYOGUQFNX-CQSZACIVSA-N	-1	0	299.326	3.415	20	30		CGEDRM
C=CCCCCCCCNC(=O)c1cccc(C(=O)[O-])n1	ZINC001588798862	963321624	/nfs/dbraw/zinc/32/16/24/963321624.db2.gz	SUSZQSSJEUTSKN-UHFFFAOYSA-N	-1	0	290.363	3.036	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000393731830	972632231	/nfs/dbraw/zinc/63/22/31/972632231.db2.gz	IWBSPQVGLDLOIC-NSHDSACASA-N	-1	0	276.336	3.169	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001595705219	982282673	/nfs/dbraw/zinc/28/26/73/982282673.db2.gz	RNXKFNCHADRWJD-MELADBBJSA-N	-1	0	283.412	3.210	20	30		CGEDRM
CCc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F	ZINC001597483452	987987714	/nfs/dbraw/zinc/98/77/14/987987714.db2.gz	RXLQMFNAKHPYMO-MRXNPFEDSA-N	-1	0	298.317	3.498	20	30		CGEDRM
CC(C)(CCC#N)CN1CCc2cc(C(=O)[O-])ccc21	ZINC001590654173	990346244	/nfs/dbraw/zinc/34/62/44/990346244.db2.gz	LDGOMLWSTZOLFP-UHFFFAOYSA-N	-1	0	272.348	3.077	20	30		CGEDRM
CC(C)=CCS[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590926836	990927362	/nfs/dbraw/zinc/92/73/62/990927362.db2.gz	HONZGCZCFIVGLB-CYBMUJFWSA-N	-1	0	261.346	3.383	20	30		CGEDRM
CC1(C)CCC[C@H]1CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001593902896	996768355	/nfs/dbraw/zinc/76/83/55/996768355.db2.gz	ATFYOUUUOKITMP-NSHDSACASA-N	-1	0	287.363	3.280	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)c(F)c1	ZINC000080667345	345682134	/nfs/dbraw/zinc/68/21/34/345682134.db2.gz	IKNZWWUWJNGSHI-UHFFFAOYSA-N	-1	0	299.367	3.360	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1	ZINC000172112235	346216087	/nfs/dbraw/zinc/21/60/87/346216087.db2.gz	WGMKRCJCPBCZLZ-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
CC(C)(C#N)c1ccc(CN=c2[n-]nc(C3CC3)s2)cc1	ZINC000593945132	347121787	/nfs/dbraw/zinc/12/17/87/347121787.db2.gz	ICZHGLNOKRIDCO-UHFFFAOYSA-N	-1	0	298.415	3.251	20	30		CGEDRM
CC(C)[C@H](CNc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000594540899	347191815	/nfs/dbraw/zinc/19/18/15/347191815.db2.gz	LHZBTAQBTKOMHU-LBPRGKRZSA-N	-1	0	289.379	3.019	20	30		CGEDRM
Cc1ccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])c(C#N)c1	ZINC000594871875	347217448	/nfs/dbraw/zinc/21/74/48/347217448.db2.gz	AWINQCSNYFXAGE-UHFFFAOYSA-N	-1	0	283.331	3.183	20	30		CGEDRM
CC(C)(C)n1cc(-c2cccc(F)c2C#N)c(C(=O)[O-])n1	ZINC000594874486	347217546	/nfs/dbraw/zinc/21/75/46/347217546.db2.gz	SHSIYIBOMQQLQX-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2ccccc2OC[C@H]2CCOC2)c1	ZINC000600779254	347834846	/nfs/dbraw/zinc/83/48/46/347834846.db2.gz	SHDFNCLRJYIBLA-AWEZNQCLSA-N	-1	0	295.338	3.346	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(F)F)o2)n1	ZINC000626283500	350291649	/nfs/dbraw/zinc/29/16/49/350291649.db2.gz	ZAILTTMPMJLGLN-SSDOTTSWSA-N	-1	0	282.271	3.472	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634853866	351596283	/nfs/dbraw/zinc/59/62/83/351596283.db2.gz	GZXJPMBDMXXFGD-OAHLLOKOSA-N	-1	0	295.404	3.154	20	30		CGEDRM
N#Cc1cnc2ccccc2c1NCCCCCC(=O)[O-]	ZINC000036913122	369037284	/nfs/dbraw/zinc/03/72/84/369037284.db2.gz	DXLCYXGPKGADRB-UHFFFAOYSA-N	-1	0	283.331	3.163	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519700	369357203	/nfs/dbraw/zinc/35/72/03/369357203.db2.gz	CIWMCSYDCWNLKA-UHFFFAOYSA-N	-1	0	295.404	3.257	20	30		CGEDRM
COC(=O)C(C)(C)C/N=C/c1c(O)ccc2ccccc21	ZINC000129359674	370983076	/nfs/dbraw/zinc/98/30/76/370983076.db2.gz	HNFYKNYEQITKCD-VCHYOVAHSA-N	-1	0	285.343	3.164	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nc(C(C)(C)C)cs1	ZINC000427779431	372174995	/nfs/dbraw/zinc/17/49/95/372174995.db2.gz	LBQNGIRLZXEPHV-UHFFFAOYSA-N	-1	0	288.438	3.149	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1nccc2ccccc21	ZINC000429563839	372374001	/nfs/dbraw/zinc/37/40/01/372374001.db2.gz	CYQVGMTZDKFWQZ-GFCCVEGCSA-N	-1	0	279.324	3.181	20	30		CGEDRM
CCSCc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000434643863	372697648	/nfs/dbraw/zinc/69/76/48/372697648.db2.gz	SNOQOZLYYRXBQX-AWEZNQCLSA-N	-1	0	297.383	3.220	20	30		CGEDRM
O=C(NC[C@H]1CCC2(CCCCC2)O1)c1csc(=O)[nH]1	ZINC000329943978	374444892	/nfs/dbraw/zinc/44/48/92/374444892.db2.gz	DWEHVBLUDGEDCN-SNVBAGLBSA-N	-1	0	296.392	3.035	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1n[nH]c(-c2ccccc2F)n1	ZINC000190966293	375555227	/nfs/dbraw/zinc/55/52/27/375555227.db2.gz	SNLHRERELPWVIY-HNNXBMFYSA-N	-1	0	288.326	3.152	20	30		CGEDRM
Cn1cc(/C=C/c2ccc3cccc(O)c3n2)cc1C#N	ZINC000191237603	375600233	/nfs/dbraw/zinc/60/02/33/375600233.db2.gz	PZPDHTXAUIAQPD-FNORWQNLSA-N	-1	0	275.311	3.321	20	30		CGEDRM
CCOCc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188418785	249057824	/nfs/dbraw/zinc/05/78/24/249057824.db2.gz	COFQUEFDPCYXSA-UHFFFAOYSA-N	-1	0	296.326	3.053	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000342633377	377700402	/nfs/dbraw/zinc/70/04/02/377700402.db2.gz	NJNWQKXYICHUQF-NSHDSACASA-N	-1	0	274.345	3.487	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000342642792	377707261	/nfs/dbraw/zinc/70/72/61/377707261.db2.gz	ZXIXICWBGNQALZ-CYBMUJFWSA-N	-1	0	283.331	3.129	20	30		CGEDRM
C=CCN(Cc1c(Cl)cccc1C(=O)[O-])C1CC1	ZINC000578199706	378046170	/nfs/dbraw/zinc/04/61/70/378046170.db2.gz	SUHOJKRRWXNZRW-UHFFFAOYSA-N	-1	0	265.740	3.189	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000398085122	379926240	/nfs/dbraw/zinc/92/62/40/379926240.db2.gz	LYHFQHFTGBWXLT-CYBMUJFWSA-N	-1	0	296.411	3.208	20	30		CGEDRM
CC(C)n1c(SCCC2(C#N)CCCCC2)n[n-]c1=N	ZINC000418884696	380743108	/nfs/dbraw/zinc/74/31/08/380743108.db2.gz	NWROYFGROSAOAT-UHFFFAOYSA-N	-1	0	293.440	3.228	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C3CCC3)n2)n1	ZINC000195260140	542279575	/nfs/dbraw/zinc/27/95/75/542279575.db2.gz	ABRZVXGRLFNMHV-JTQLQIEISA-N	-1	0	287.344	3.197	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nccc3ccccc32)s1	ZINC000361518018	381784787	/nfs/dbraw/zinc/78/47/87/381784787.db2.gz	HCGYXUIJIIJLNZ-ZDUSSCGKSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)co1	ZINC000647379308	392712633	/nfs/dbraw/zinc/71/26/33/392712633.db2.gz	ZWPHXTFSOKBKHS-NSHDSACASA-N	-1	0	272.329	3.412	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)n[nH]1	ZINC000338177008	392899529	/nfs/dbraw/zinc/89/95/29/392899529.db2.gz	AOCMAQVRJRPTEG-JTQLQIEISA-N	-1	0	296.355	3.072	20	30		CGEDRM
Cc1cc(/C=C\c2cc(C(=O)[O-])ccn2)ccc1C#N	ZINC000520622591	392923739	/nfs/dbraw/zinc/92/37/39/392923739.db2.gz	SNBSKTIPEKIVJQ-HYXAFXHYSA-N	-1	0	264.284	3.130	20	30		CGEDRM
C=C[C@@H](C)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-]	ZINC000342830848	393009051	/nfs/dbraw/zinc/00/90/51/393009051.db2.gz	VSNBKNXGXOPYGF-GFCCVEGCSA-N	-1	0	299.374	3.006	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000679838634	543663970	/nfs/dbraw/zinc/66/39/70/543663970.db2.gz	AYPIOYDKHDDXDC-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(CC#N)cc1	ZINC000346025796	225667975	/nfs/dbraw/zinc/66/79/75/225667975.db2.gz	LWMXDKSAKIEYDB-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1ccc(Cl)c(C)c1)C(=O)[O-]	ZINC000653488733	419036867	/nfs/dbraw/zinc/03/68/67/419036867.db2.gz	JXYHCMOLGYPLMX-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655581273	419059773	/nfs/dbraw/zinc/05/97/73/419059773.db2.gz	WXGOKMYNHHXCPZ-KWCYVHTRSA-N	-1	0	293.407	3.006	20	30		CGEDRM
N#CC1CCC(CN=c2nc(C3CCCC3)[n-]s2)CC1	ZINC000333813754	228215628	/nfs/dbraw/zinc/21/56/28/228215628.db2.gz	GEHTVZBCZBYOBJ-UHFFFAOYSA-N	-1	0	290.436	3.359	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1	ZINC000076766001	260166763	/nfs/dbraw/zinc/16/67/63/260166763.db2.gz	VCYUHUHGAPYZGO-TZMCWYRMSA-N	-1	0	295.404	3.299	20	30		CGEDRM
C=C(CN=c1[n-]nc(C(F)F)s1)c1ccccc1	ZINC000340972020	263316739	/nfs/dbraw/zinc/31/67/39/263316739.db2.gz	PDYNXSAWHNTYQD-UHFFFAOYSA-N	-1	0	267.304	3.023	20	30		CGEDRM
CC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CCOCC1	ZINC000331251396	264181213	/nfs/dbraw/zinc/18/12/13/264181213.db2.gz	ZVMNUMNUNOVPJQ-CYBMUJFWSA-N	-1	0	299.317	3.180	20	30		CGEDRM
C[C@@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC=CCC1	ZINC000331349241	264205757	/nfs/dbraw/zinc/20/57/57/264205757.db2.gz	NJFFIXXNVXOFSG-CQSZACIVSA-N	-1	0	276.292	3.104	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361541658	266842662	/nfs/dbraw/zinc/84/26/62/266842662.db2.gz	RNRCJRCSRJUMIF-ZDUSSCGKSA-N	-1	0	293.351	3.490	20	30		CGEDRM
O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@@H]1CC12CCCC2	ZINC000329090058	304819784	/nfs/dbraw/zinc/81/97/84/304819784.db2.gz	IVOWJFUIVJIWRI-LBPRGKRZSA-N	-1	0	298.346	3.346	20	30		CGEDRM
C=CC[C@H](Cc1ccccc1)N=c1[n-]nc(C(F)F)s1	ZINC000413578918	328149867	/nfs/dbraw/zinc/14/98/67/328149867.db2.gz	OEXQBZQNSCXPQL-LLVKDONJSA-N	-1	0	295.358	3.497	20	30		CGEDRM
CC(C)C[C@@H](Nc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000563522249	322001458	/nfs/dbraw/zinc/00/14/58/322001458.db2.gz	HBZWXHFBQJEWRO-CQSZACIVSA-N	-1	0	283.331	3.018	20	30		CGEDRM
CC(=Cc1ccc(C2CC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000565586170	322082581	/nfs/dbraw/zinc/08/25/81/322082581.db2.gz	NQMIOQLHXSGGSD-PKNBQFBNSA-N	-1	0	291.354	3.388	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccoc2)n1	ZINC000177766738	329186773	/nfs/dbraw/zinc/18/67/73/329186773.db2.gz	YQZHQCYNJBLOSQ-JTQLQIEISA-N	-1	0	260.318	3.350	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1	ZINC000126607145	329593166	/nfs/dbraw/zinc/59/31/66/329593166.db2.gz	XKWOTZMQBDMHIJ-SECBINFHSA-N	-1	0	289.360	3.307	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000262910935	330036814	/nfs/dbraw/zinc/03/68/14/330036814.db2.gz	NDURVFSLMKDDNM-KBPBESRZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCN(CCc1ccccc1)C(=O)c1c([O-])cccc1F	ZINC000121218615	330397741	/nfs/dbraw/zinc/39/77/41/330397741.db2.gz	OGZCWCNOOBAVCM-UHFFFAOYSA-N	-1	0	299.345	3.402	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000092546106	330411262	/nfs/dbraw/zinc/41/12/62/330411262.db2.gz	SACOXOQREPHAPO-UHFFFAOYSA-N	-1	0	276.292	3.007	20	30		CGEDRM
Cc1ccsc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000429569915	330549619	/nfs/dbraw/zinc/54/96/19/330549619.db2.gz	TUSYYHBYTJGOCT-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C(C)C)nc2C)n1	ZINC000429690004	330552171	/nfs/dbraw/zinc/55/21/71/330552171.db2.gz	HCHWTHNWZLMRII-SNVBAGLBSA-N	-1	0	289.360	3.361	20	30		CGEDRM
C=CCC(C)(C)CN=c1[n-]nc(-c2ccccn2)s1	ZINC000432148597	330593968	/nfs/dbraw/zinc/59/39/68/330593968.db2.gz	NFWYBVBZHRLCOD-UHFFFAOYSA-N	-1	0	274.393	3.036	20	30		CGEDRM
CC[C@@H](F)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000441848967	330772662	/nfs/dbraw/zinc/77/26/62/330772662.db2.gz	PLQMTGYDIBDSQL-SNVBAGLBSA-N	-1	0	267.348	3.090	20	30		CGEDRM
C=CCCCCCNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000581261393	336033944	/nfs/dbraw/zinc/03/39/44/336033944.db2.gz	PAMXMFIRVVIREP-UHFFFAOYSA-N	-1	0	279.311	3.000	20	30		CGEDRM
CCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)s1	ZINC000581348290	336056205	/nfs/dbraw/zinc/05/62/05/336056205.db2.gz	VYGBVTHVEPIWBE-VQHVLOKHSA-N	-1	0	285.372	3.134	20	30		CGEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1	ZINC000353569244	534628318	/nfs/dbraw/zinc/62/83/18/534628318.db2.gz	VCODZIINUUUXAF-NSHDSACASA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=C[C@H](CC(=O)N[C@@](C)(CCC)C(=O)[O-])c1ccccc1	ZINC000190706934	534675102	/nfs/dbraw/zinc/67/51/02/534675102.db2.gz	YZTDMHNLEAGBAN-DYVFJYSZSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000190611591	568585256	/nfs/dbraw/zinc/58/52/56/568585256.db2.gz	PYYREAXMMJGVEY-UHFFFAOYSA-N	-1	0	295.404	3.154	20	30		CGEDRM
N#Cc1ccccc1CNc1ccc(CCC(=O)[O-])cc1	ZINC000738433507	571745189	/nfs/dbraw/zinc/74/51/89/571745189.db2.gz	GJQUUJJRMWEZGT-UHFFFAOYSA-N	-1	0	280.327	3.188	20	30		CGEDRM
Cc1cccc(F)c1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000743041707	572392836	/nfs/dbraw/zinc/39/28/36/572392836.db2.gz	CEVUKPZWYFYDDV-CAOOACKPSA-N	-1	0	288.278	3.367	20	30		CGEDRM
N#Cc1cccc(COC(=O)c2ccccc2NC(=O)[O-])c1	ZINC000739134170	572403036	/nfs/dbraw/zinc/40/30/36/572403036.db2.gz	XPELAVSTEDLUDS-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000740315036	572439492	/nfs/dbraw/zinc/43/94/92/572439492.db2.gz	JYBHKPIHXYZPIK-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
N#Cc1ccc(NCC[C@@H]2CCN(C(=O)[O-])C2)cc1Cl	ZINC000740319409	572439564	/nfs/dbraw/zinc/43/95/64/572439564.db2.gz	RXHAUHZYVIAQAI-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cccc2cnccc21	ZINC000740619129	572448877	/nfs/dbraw/zinc/44/88/77/572448877.db2.gz	CDPPNWVZHDYHSC-LBPRGKRZSA-N	-1	0	298.346	3.070	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2c2ccccc2)n1	ZINC000732526973	572471042	/nfs/dbraw/zinc/47/10/42/572471042.db2.gz	BNJXLRYMJLMNIQ-ZDUSSCGKSA-N	-1	0	282.347	3.226	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2c(F)cccc2F)c1	ZINC000735615705	572734825	/nfs/dbraw/zinc/73/48/25/572734825.db2.gz	WKIMTTLEQTZUEB-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2CC=CCC2)c1[O-]	ZINC000735979024	572758814	/nfs/dbraw/zinc/75/88/14/572758814.db2.gz	UNMBSAHOORBQCM-LWHXSLQUSA-N	-1	0	280.711	3.481	20	30		CGEDRM
C=CC[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736096991	572768221	/nfs/dbraw/zinc/76/82/21/572768221.db2.gz	VCRCSHAEFQSYSX-BJPMOSCESA-N	-1	0	276.292	3.069	20	30		CGEDRM
C#CCOc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1	ZINC000736089579	572768247	/nfs/dbraw/zinc/76/82/47/572768247.db2.gz	NSOZCQUGOVTVKA-INIZCTEOSA-N	-1	0	299.301	3.076	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2cccc(NC(=O)[O-])c2)c1	ZINC000736090761	572768339	/nfs/dbraw/zinc/76/83/39/572768339.db2.gz	JVKAFAFVTRRQAE-UHFFFAOYSA-N	-1	0	294.310	3.034	20	30		CGEDRM
CCON=C(C)c1cc(Br)c(F)cc1[O-]	ZINC000746563408	572879434	/nfs/dbraw/zinc/87/94/34/572879434.db2.gz	ADOYMVUKPGRQEZ-UHFFFAOYSA-N	-1	0	276.105	3.054	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2=O	ZINC000748146692	572963340	/nfs/dbraw/zinc/96/33/40/572963340.db2.gz	LMTKEMCENLNCLD-NTUHNPAUSA-N	-1	0	295.294	3.431	20	30		CGEDRM
C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410467	572975802	/nfs/dbraw/zinc/97/58/02/572975802.db2.gz	NEIQHEAWCKXOHO-AAEUAGOBSA-N	-1	0	272.348	3.419	20	30		CGEDRM
O=C([O-])c1ccccc1NN=C1CCc2ccc(F)cc21	ZINC000748780817	572983709	/nfs/dbraw/zinc/98/37/09/572983709.db2.gz	OTUCJGHXUGGVKE-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccnc(Cl)c2)c1	ZINC000774135521	597718366	/nfs/dbraw/zinc/71/83/66/597718366.db2.gz	QDBDISPMFYQSQZ-SNAWJCMRSA-N	-1	0	287.702	3.329	20	30		CGEDRM
N#Cc1c(F)cccc1Oc1cccc(CC(=O)[O-])c1	ZINC000093410597	600011470	/nfs/dbraw/zinc/01/14/70/600011470.db2.gz	GLKMAKQLTVNBQW-UHFFFAOYSA-N	-1	0	271.247	3.117	20	30		CGEDRM
N#Cc1ccc(Cl)cc1N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156628774	600205594	/nfs/dbraw/zinc/20/55/94/600205594.db2.gz	VGAAGBHOIPPQNZ-UHFFFAOYSA-N	-1	0	298.729	3.430	20	30		CGEDRM
Cc1cc(OCc2ccc(C#N)cc2F)c(C(=O)[O-])s1	ZINC000070428934	600638667	/nfs/dbraw/zinc/63/86/67/600638667.db2.gz	LRIQSGZOLLNBLW-UHFFFAOYSA-N	-1	0	291.303	3.345	20	30		CGEDRM
CC(C)C[C@H](C/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000736404043	600816488	/nfs/dbraw/zinc/81/64/88/600816488.db2.gz	OHYUDQXGACLUOK-CRZGJZTJSA-N	-1	0	283.755	3.211	20	30		CGEDRM
Cc1cc(CN(CCC#N)CCC(C)C)oc1C(=O)[O-]	ZINC000832881551	601017463	/nfs/dbraw/zinc/01/74/63/601017463.db2.gz	GBLIGFDYJDTQLN-UHFFFAOYSA-N	-1	0	278.352	3.048	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1CON=Cc1ccccc1F	ZINC000833032108	601629847	/nfs/dbraw/zinc/62/98/47/601629847.db2.gz	ZOAGCBLBDDSBFS-UHFFFAOYSA-N	-1	0	293.319	3.445	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(C)cc2Cl)[n-]1	ZINC000899349059	620653186	/nfs/dbraw/zinc/65/31/86/620653186.db2.gz	UUAADQZCDVUENN-UHFFFAOYSA-N	-1	0	260.724	3.155	20	30		CGEDRM
CCCCCCCCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000829357267	602056747	/nfs/dbraw/zinc/05/67/47/602056747.db2.gz	MQTWSCSJCWXRDV-INIZCTEOSA-N	-1	0	298.427	3.243	20	30		CGEDRM
O=C([O-])c1occc1/C=C/C(=O)c1cc2c(s1)CCC2	ZINC000833095782	602149700	/nfs/dbraw/zinc/14/97/00/602149700.db2.gz	XYFLOFFQPJAUPW-SNAWJCMRSA-N	-1	0	288.324	3.424	20	30		CGEDRM
CCCCCCCC(=O)N(C)C1CCC(NC(=O)[O-])CC1	ZINC000826821498	603472352	/nfs/dbraw/zinc/47/23/52/603472352.db2.gz	VJEFFWOUVCHVBV-UHFFFAOYSA-N	-1	0	298.427	3.384	20	30		CGEDRM
O=C([O-])N1CCc2cccc(/C=C/C(=O)c3cccnc3)c21	ZINC000831291246	603811983	/nfs/dbraw/zinc/81/19/83/603811983.db2.gz	CYQNNOXGHPWFMG-VOTSOKGWSA-N	-1	0	294.310	3.018	20	30		CGEDRM
C=CCC(CC=C)c1nc([C@H](C)CN(C)C(=O)[O-])no1	ZINC000823490909	604028406	/nfs/dbraw/zinc/02/84/06/604028406.db2.gz	NOMDXZRSTBYQQM-SNVBAGLBSA-N	-1	0	279.340	3.019	20	30		CGEDRM
C/C(=C/CSc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000833382134	604502159	/nfs/dbraw/zinc/50/21/59/604502159.db2.gz	CDVZUBUHXRLEGZ-YWEYNIOJSA-N	-1	0	267.737	3.335	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccsc2)cc1	ZINC000833310925	604629114	/nfs/dbraw/zinc/62/91/14/604629114.db2.gz	ZNSILBBQXYRVTD-LZCJLJQNSA-N	-1	0	258.298	3.342	20	30		CGEDRM
CC(N=Nc1ccc(Cl)nn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814698190	604633756	/nfs/dbraw/zinc/63/37/56/604633756.db2.gz	UXCKWMCAJUOCMT-VIFPVBQESA-N	-1	0	298.774	3.199	20	30		CGEDRM
Cc1ccnc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])c1	ZINC000814867992	604641113	/nfs/dbraw/zinc/64/11/13/604641113.db2.gz	SFABMTLADCZJHK-LBPRGKRZSA-N	-1	0	277.368	3.459	20	30		CGEDRM
Cc1ccnc(N=NC(C)[C@H](C)CCCCC(=O)[O-])c1	ZINC000814867991	604641151	/nfs/dbraw/zinc/64/11/51/604641151.db2.gz	SFABMTLADCZJHK-GFCCVEGCSA-N	-1	0	277.368	3.459	20	30		CGEDRM
C=C(C)[C@H]1CCC(C)=C(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763369090	604666724	/nfs/dbraw/zinc/66/67/24/604666724.db2.gz	UECBDESWWMWFMW-LBPRGKRZSA-N	-1	0	285.347	3.480	20	30		CGEDRM
C[C@@H](CCc1ccccc1)CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763372416	604669241	/nfs/dbraw/zinc/66/92/41/604669241.db2.gz	XRCGOANSTVQIED-ZDUSSCGKSA-N	-1	0	297.358	3.446	20	30		CGEDRM
C=CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000833373115	604872725	/nfs/dbraw/zinc/87/27/25/604872725.db2.gz	GECVHOYXWBROEF-ZDUSSCGKSA-N	-1	0	299.729	3.077	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2cccn2[C@@H](C)C(=O)[O-])c1	ZINC000833749705	605041427	/nfs/dbraw/zinc/04/14/27/605041427.db2.gz	SASDRTDRSXEADS-NSHDSACASA-N	-1	0	289.310	3.027	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833374004	605076683	/nfs/dbraw/zinc/07/66/83/605076683.db2.gz	NCGGJLWFLKPNNA-VIFPVBQESA-N	-1	0	282.365	3.313	20	30		CGEDRM
C=CCC[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000833373132	605118019	/nfs/dbraw/zinc/11/80/19/605118019.db2.gz	GXLZMIIVRBEBSP-CQSZACIVSA-N	-1	0	292.306	3.426	20	30		CGEDRM
C=CCC[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1CC1	ZINC000833373135	605118124	/nfs/dbraw/zinc/11/81/24/605118124.db2.gz	GYWZACLOKXWQCX-MCIONIFRSA-N	-1	0	280.364	3.165	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833362122	605277207	/nfs/dbraw/zinc/27/72/07/605277207.db2.gz	ZWCASWXZDRJNQQ-UHFFFAOYSA-N	-1	0	292.310	3.438	20	30		CGEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ccccc1	ZINC000824760150	605457005	/nfs/dbraw/zinc/45/70/05/605457005.db2.gz	SHJXSMZAEMKWOI-CYBMUJFWSA-N	-1	0	261.325	3.007	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000833361746	605576876	/nfs/dbraw/zinc/57/68/76/605576876.db2.gz	JXHUGQMGEDTSNJ-UHFFFAOYSA-N	-1	0	279.361	3.277	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(F)cc(F)c2)c1	ZINC000254987911	617715025	/nfs/dbraw/zinc/71/50/25/617715025.db2.gz	PUQFMZMCJUKTEV-UHFFFAOYSA-N	-1	0	278.214	3.329	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C2/COc3ccc(F)cc32)c1	ZINC000806558741	617718805	/nfs/dbraw/zinc/71/88/05/617718805.db2.gz	KICBSIQACXJTCE-GHXNOFRVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Cc3nc(Cl)ccc3C2=O)cc1	ZINC000806578018	617803635	/nfs/dbraw/zinc/80/36/35/617803635.db2.gz	KLFRIJRBJLLPQM-YRNVUSSQSA-N	-1	0	299.713	3.256	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)s1	ZINC000042316990	620766848	/nfs/dbraw/zinc/76/68/48/620766848.db2.gz	JZJJELFCYKTWHD-SNVBAGLBSA-N	-1	0	285.390	3.058	20	30		CGEDRM
Cc1ccc2ncc(/C=C\C(=O)c3ccccc3[O-])n2c1	ZINC000255152270	617999277	/nfs/dbraw/zinc/99/92/77/617999277.db2.gz	JVKAITHZDVIPGE-FPLPWBNLSA-N	-1	0	278.311	3.244	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-]	ZINC000255161502	618007018	/nfs/dbraw/zinc/00/70/18/618007018.db2.gz	RFRXDQDZMNVWRX-CLTKARDFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1	ZINC000255362945	618220475	/nfs/dbraw/zinc/22/04/75/618220475.db2.gz	AFWNPYVJCXXJMZ-UHFFFAOYSA-N	-1	0	286.287	3.368	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1	ZINC000255374442	618242388	/nfs/dbraw/zinc/24/23/88/618242388.db2.gz	PWDIIZACMWXRJM-WAPJZHGLSA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/Oc3ccccc3C2=O)c1	ZINC000782207871	618740369	/nfs/dbraw/zinc/74/03/69/618740369.db2.gz	UJWCSFFVGSOXTF-WUXMJOGZSA-N	-1	0	272.281	3.063	20	30		CGEDRM
O=C(/C=C\c1ncc[nH]1)c1ccc2ccccc2c1[O-]	ZINC000146830344	618950767	/nfs/dbraw/zinc/95/07/67/618950767.db2.gz	ULSOBLNQFHLDSP-FPLPWBNLSA-N	-1	0	264.284	3.165	20	30		CGEDRM
C[C@H]1CC(=NOCc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814791393	619423693	/nfs/dbraw/zinc/42/36/93/619423693.db2.gz	GDKNYUCDFCRHFK-FZMZJTMJSA-N	-1	0	261.321	3.080	20	30		CGEDRM
Cc1cccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1	ZINC000008322909	620372365	/nfs/dbraw/zinc/37/23/65/620372365.db2.gz	MODJDEZXGFXDST-CMDGGOBGSA-N	-1	0	296.322	3.355	20	30		CGEDRM
C[C@@H]1C(N=Nc2cc(F)ccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000901321240	620860328	/nfs/dbraw/zinc/86/03/28/620860328.db2.gz	VXNGZOAPFJASCK-DTWKUNHWSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1cc(C)ccc1F)C(=O)[O-]	ZINC000905016553	622028208	/nfs/dbraw/zinc/02/82/08/622028208.db2.gz	TZPHHVFXCPXXGZ-LBPRGKRZSA-N	-1	0	294.326	3.065	20	30		CGEDRM
CC(C)(C)c1coc(C=NNc2ccc(C(=O)[O-])cc2)n1	ZINC000905418240	622071038	/nfs/dbraw/zinc/07/10/38/622071038.db2.gz	ZIMQXYFNWJRPBT-UHFFFAOYSA-N	-1	0	287.319	3.116	20	30		CGEDRM
Cc1cccc(-c2cn(C(C)C)nc2C(=O)[O-])c1C#N	ZINC000906240963	622204785	/nfs/dbraw/zinc/20/47/85/622204785.db2.gz	HSHFIQNBFLXNTJ-UHFFFAOYSA-N	-1	0	269.304	3.009	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000907583280	622302313	/nfs/dbraw/zinc/30/23/13/622302313.db2.gz	AWFWXWZSGXUIDU-XJKCOSOUSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000907604590	622304096	/nfs/dbraw/zinc/30/40/96/622304096.db2.gz	QBNWYWLPPIZONJ-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000907750749	622310533	/nfs/dbraw/zinc/31/05/33/622310533.db2.gz	UEAMTTYYFDYWSK-QWHCGFSZSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H](C(=O)[O-])C(C)C)c1	ZINC000908248874	622337304	/nfs/dbraw/zinc/33/73/04/622337304.db2.gz	JFTRBZYQRZTYQL-CYBMUJFWSA-N	-1	0	261.321	3.015	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000908843760	622375301	/nfs/dbraw/zinc/37/53/01/622375301.db2.gz	ZVMFMOCFMVGKGW-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909830882	622427207	/nfs/dbraw/zinc/42/72/07/622427207.db2.gz	AKPQWJZGZMATRP-NSHDSACASA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC000910291104	622473539	/nfs/dbraw/zinc/47/35/39/622473539.db2.gz	CWZCUJGPDDITMR-GFCCVEGCSA-N	-1	0	295.766	3.106	20	30		CGEDRM
C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000910472645	622488245	/nfs/dbraw/zinc/48/82/45/622488245.db2.gz	QMUZIJWFQJYRPD-UONOGXRCSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911686159	622543070	/nfs/dbraw/zinc/54/30/70/622543070.db2.gz	HOIIKBJMIMQFOM-OAHLLOKOSA-N	-1	0	279.311	3.373	20	30		CGEDRM
O=C(/C=C/c1cnc2ccccn12)c1cc(F)ccc1[O-]	ZINC000156670312	622832920	/nfs/dbraw/zinc/83/29/20/622832920.db2.gz	TYNJLYSMLLSMGY-FNORWQNLSA-N	-1	0	282.274	3.075	20	30		CGEDRM
COc1ccc(O)c(C(=O)/C=C/c2cccc(O)c2)c1	ZINC000156688209	622834750	/nfs/dbraw/zinc/83/47/50/622834750.db2.gz	DCLOZDJZPBNVHU-FNORWQNLSA-N	-1	0	270.284	3.003	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cc3ccccc3[nH]2)c1	ZINC000058464356	622926953	/nfs/dbraw/zinc/92/69/53/622926953.db2.gz	LASMVQSZUZZSEG-RQZCQDPDSA-N	-1	0	295.298	3.401	20	30		CGEDRM
Cc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000077942388	622995972	/nfs/dbraw/zinc/99/59/72/622995972.db2.gz	PZWCPGWUZFAPTM-UONOGXRCSA-N	-1	0	295.404	3.041	20	30		CGEDRM
CC(=NNc1ccccc1)c1ccc(CC(=O)[O-])cc1	ZINC000915932811	624081236	/nfs/dbraw/zinc/08/12/36/624081236.db2.gz	CMQWHYNEAYSTSB-UHFFFAOYSA-N	-1	0	268.316	3.150	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(C(=O)[O-])cc1)O2	ZINC000915993463	624095105	/nfs/dbraw/zinc/09/51/05/624095105.db2.gz	QTWVUOWGUAGQLG-VGOFMYFVSA-N	-1	0	296.278	3.015	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C)o1	ZINC000916240584	624123769	/nfs/dbraw/zinc/12/37/69/624123769.db2.gz	HSHHSQLSEBVTCG-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
CC(C)C(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916259834	624127886	/nfs/dbraw/zinc/12/78/86/624127886.db2.gz	RVEGDTHTJJNFNU-UHFFFAOYSA-N	-1	0	254.717	3.482	20	30		CGEDRM
COc1c(C)cc(C=NNc2ccc(C(=O)[O-])cc2)cc1C	ZINC000920358844	624480978	/nfs/dbraw/zinc/48/09/78/624480978.db2.gz	CIDPUBHYUVKKKD-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
COc1c(C)cc(C=NNc2ccccc2C(=O)[O-])cc1C	ZINC000920368029	624482663	/nfs/dbraw/zinc/48/26/63/624482663.db2.gz	FNZIPWLXOLFMBS-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
O=C([O-])c1cccc(NN=C2CCc3c2cccc3F)c1	ZINC000921254224	624575950	/nfs/dbraw/zinc/57/59/50/624575950.db2.gz	UQJJSZANAOKKNY-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1	ZINC000175315119	624628496	/nfs/dbraw/zinc/62/84/96/624628496.db2.gz	VHZOGVRUJOXLQL-ZZXKWVIFSA-N	-1	0	285.249	3.438	20	30		CGEDRM
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc([O-])c(F)c1	ZINC000170852024	624656577	/nfs/dbraw/zinc/65/65/77/624656577.db2.gz	JSWZJJIXOBMLLD-FNORWQNLSA-N	-1	0	287.246	3.336	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179728391	624679658	/nfs/dbraw/zinc/67/96/58/624679658.db2.gz	FOJPFOCZDQBOCQ-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCc1ccsc1	ZINC000073838192	626070476	/nfs/dbraw/zinc/07/04/76/626070476.db2.gz	UZXYVCYUFANOFL-UHFFFAOYSA-N	-1	0	289.422	3.156	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000923076020	626128421	/nfs/dbraw/zinc/12/84/21/626128421.db2.gz	NHNADEZZWDSUOT-UHFFFAOYSA-N	-1	0	288.347	3.270	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCOc3ccccc32)cc1	ZINC000752157732	626420501	/nfs/dbraw/zinc/42/05/01/626420501.db2.gz	OTUSWZXEPQAAED-CYBMUJFWSA-N	-1	0	296.326	3.349	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)co1	ZINC000752883507	626441372	/nfs/dbraw/zinc/44/13/72/626441372.db2.gz	PWCGUDPYQSJXGS-VMPITWQZSA-N	-1	0	285.299	3.392	20	30		CGEDRM
C=CCC[C@H](NC(=O)CCCC(=O)[O-])c1ccccc1	ZINC000753967971	626470392	/nfs/dbraw/zinc/47/03/92/626470392.db2.gz	NJGQSJHQOCBHSS-AWEZNQCLSA-N	-1	0	275.348	3.065	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC=CCc1ccco1	ZINC000756899074	626739920	/nfs/dbraw/zinc/73/99/20/626739920.db2.gz	OLIJQJPBCYOINO-CNRUJLEGSA-N	-1	0	286.287	3.098	20	30		CGEDRM
O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccccc1[O-]	ZINC000757475391	626782360	/nfs/dbraw/zinc/78/23/60/626782360.db2.gz	SAJFRIYPMZWKLK-FLIBITNWSA-N	-1	0	290.322	3.474	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000757475435	626782368	/nfs/dbraw/zinc/78/23/68/626782368.db2.gz	KHNKKIVAFPYAEX-VOTSOKGWSA-N	-1	0	290.750	3.292	20	30		CGEDRM
N#C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C1CCCCC1	ZINC000759538661	626905014	/nfs/dbraw/zinc/90/50/14/626905014.db2.gz	JROQBUHHENIOPM-CYBMUJFWSA-N	-1	0	295.285	3.300	20	30		CGEDRM
C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc[nH]1	ZINC000760227910	626945767	/nfs/dbraw/zinc/94/57/67/626945767.db2.gz	BWDVZPQFUMDOEJ-LBBJYAOWSA-N	-1	0	293.710	3.462	20	30		CGEDRM
Cc1ccc2c(c1)[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])CO2	ZINC000763095249	627140609	/nfs/dbraw/zinc/14/06/09/627140609.db2.gz	CELWAMMYLLQSEI-RHUPODBASA-N	-1	0	298.298	3.161	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2c[nH]c3cccc(F)c23)c1	ZINC000763340634	627153100	/nfs/dbraw/zinc/15/31/00/627153100.db2.gz	ZCDPUWSZHCMNLY-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2cccc(Cl)c2F)nc1	ZINC000763370085	627154274	/nfs/dbraw/zinc/15/42/74/627154274.db2.gz	LLGXRJXRFGPTBC-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cccc(F)c2)c1	ZINC000765823705	627273460	/nfs/dbraw/zinc/27/34/60/627273460.db2.gz	HKDNDZLXWWMHGW-PLNGDYQASA-N	-1	0	276.288	3.482	20	30		CGEDRM
COc1cccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000765826393	627274148	/nfs/dbraw/zinc/27/41/48/627274148.db2.gz	QXMYKMDXDKLAIV-WAYWQWQTSA-N	-1	0	288.324	3.351	20	30		CGEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)c(C)o1	ZINC000767893996	627441756	/nfs/dbraw/zinc/44/17/56/627441756.db2.gz	VOBAVFBWRQNFPJ-UHFFFAOYSA-N	-1	0	258.277	3.041	20	30		CGEDRM
C[C@H]1CCC[C@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000768356009	627475755	/nfs/dbraw/zinc/47/57/55/627475755.db2.gz	VHFFTPQNDLXOCG-IUCAKERBSA-N	-1	0	268.748	3.060	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])c(F)c1	ZINC000772801629	627824580	/nfs/dbraw/zinc/82/45/80/627824580.db2.gz	MPCTYFFNGJIWRF-HWKANZROSA-N	-1	0	285.249	3.438	20	30		CGEDRM
O=C1c2cccc(F)c2C/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772807751	627825329	/nfs/dbraw/zinc/82/53/29/627825329.db2.gz	SLKPWPGUPOTWIH-POHAHGRESA-N	-1	0	299.257	3.262	20	30		CGEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc([O-])c(Cl)c1	ZINC000773159340	627863463	/nfs/dbraw/zinc/86/34/63/627863463.db2.gz	HPLGOGLFNCLWNI-XGICHPGQSA-N	-1	0	296.713	3.410	20	30		CGEDRM
N#CCN(Cc1cc(Cl)cc(F)c1[O-])C1CCCC1	ZINC000775711539	628128420	/nfs/dbraw/zinc/12/84/20/628128420.db2.gz	DNCMRZYYIBCKHW-UHFFFAOYSA-N	-1	0	282.746	3.453	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000125177699	634634433	/nfs/dbraw/zinc/63/44/33/634634433.db2.gz	TYOTYOXIQWZBIY-CYBMUJFWSA-N	-1	0	283.393	3.351	20	30		CGEDRM
CC(=NOCc1ccccc1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776725062	628227332	/nfs/dbraw/zinc/22/73/32/628227332.db2.gz	YZDALXOSHGVZLH-UHFFFAOYSA-N	-1	0	298.342	3.337	20	30		CGEDRM
CC(=NOC1CCCC1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776774994	628231012	/nfs/dbraw/zinc/23/10/12/628231012.db2.gz	FFURZJYUSMROAX-UHFFFAOYSA-N	-1	0	265.284	3.207	20	30		CGEDRM
C[C@H](Oc1cccc(C=NOC2CCCCC2)c1)C(=O)[O-]	ZINC000777456722	628272643	/nfs/dbraw/zinc/27/26/43/628272643.db2.gz	FWPICSYLOPPZDI-LBPRGKRZSA-N	-1	0	291.347	3.222	20	30		CGEDRM
COC[C@@H](C)NN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000777893799	628308508	/nfs/dbraw/zinc/30/85/08/628308508.db2.gz	VSHVRNRGQZJACL-SSDOTTSWSA-N	-1	0	291.178	3.048	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]OCC(F)F)c1ccccc1	ZINC000779095544	628388861	/nfs/dbraw/zinc/38/88/61/628388861.db2.gz	LLHHOPCODBBUKY-GFCCVEGCSA-N	-1	0	269.291	3.049	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2CCC=CO2)c1[O-]	ZINC000780150904	628457648	/nfs/dbraw/zinc/45/76/48/628457648.db2.gz	ZKINHEGZVWNRJX-BXRZMRDGSA-N	-1	0	296.710	3.065	20	30		CGEDRM
Cc1ccc2nc(/C=C\C(=O)c3ccccc3[O-])cn2c1	ZINC000789142313	629107407	/nfs/dbraw/zinc/10/74/07/629107407.db2.gz	KZWWESPUCJBLGY-FPLPWBNLSA-N	-1	0	278.311	3.244	20	30		CGEDRM
CC(=NNc1ncccc1C)c1ccc(C(=O)[O-])c(F)c1	ZINC000790185743	629191039	/nfs/dbraw/zinc/19/10/39/629191039.db2.gz	MWYDETKVVKXVCP-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc(C)on1	ZINC000790281923	629199415	/nfs/dbraw/zinc/19/94/15/629199415.db2.gz	NPTHXQCLTKGBHX-UHFFFAOYSA-N	-1	0	293.710	3.171	20	30		CGEDRM
C[C@@H](C#N)CN(Cc1c([O-])ccc(Cl)c1F)C1CC1	ZINC000792168358	629343698	/nfs/dbraw/zinc/34/36/98/629343698.db2.gz	FCMVSKWSDAGUMK-VIFPVBQESA-N	-1	0	282.746	3.309	20	30		CGEDRM
CC[C@H](NN=C(C)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000793079754	629408855	/nfs/dbraw/zinc/40/88/55/629408855.db2.gz	TVQMLVXOFPRCMU-IXUJDMMCSA-N	-1	0	278.396	3.032	20	30		CGEDRM
CC[C@@H](NN=C(C)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793081976	629408872	/nfs/dbraw/zinc/40/88/72/629408872.db2.gz	QWHXVCNFHAAEHU-NOZJJQNGSA-N	-1	0	282.771	3.272	20	30		CGEDRM
CC[C@@H](C)CON=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000793162939	629419468	/nfs/dbraw/zinc/41/94/68/629419468.db2.gz	DFGJEZABHUGPQI-SECBINFHSA-N	-1	0	279.336	3.389	20	30		CGEDRM
CC(C)[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000794525048	629550124	/nfs/dbraw/zinc/55/01/24/629550124.db2.gz	YGOUARWPGIUABN-LLVKDONJSA-N	-1	0	275.352	3.394	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)CCCCCCC)C(=O)[O-]	ZINC000864181729	629792329	/nfs/dbraw/zinc/79/23/29/629792329.db2.gz	FWOPZGQWLYYQPL-NSHDSACASA-N	-1	0	275.776	3.059	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@@H](CC)CCCC)C(=O)[O-]	ZINC000864184950	629796059	/nfs/dbraw/zinc/79/60/59/629796059.db2.gz	ULBRNAUIRAPQKY-NWDGAFQWSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C[C@@H]1[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])[C@H]1c1ccccc1	ZINC000797748685	629979573	/nfs/dbraw/zinc/97/95/73/629979573.db2.gz	NZTBVUMRMRJSFX-YMRXKLBXSA-N	-1	0	292.338	3.252	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)Nc1ccc(C)cc1C)C(=O)[O-]	ZINC000865213975	630026956	/nfs/dbraw/zinc/02/69/56/630026956.db2.gz	LCDAMEMTLCWMHD-LBPRGKRZSA-N	-1	0	296.754	3.021	20	30		CGEDRM
COc1ccccc1CON=Cc1cc(F)c([O-])c(F)c1	ZINC000799118629	630146821	/nfs/dbraw/zinc/14/68/21/630146821.db2.gz	OAHFBRGTYRUKFQ-UHFFFAOYSA-N	-1	0	293.269	3.230	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1ccccc1C#N	ZINC000799642937	630207376	/nfs/dbraw/zinc/20/73/76/630207376.db2.gz	QZQCFBUKJBXOTM-UHFFFAOYSA-N	-1	0	280.393	3.270	20	30		CGEDRM
Cc1[nH]c(C=NN2CCC(C(C)(C)C)CC2)cc1C(=O)[O-]	ZINC000800816437	630301844	/nfs/dbraw/zinc/30/18/44/630301844.db2.gz	KQRXXHZHRLQABA-UHFFFAOYSA-N	-1	0	291.395	3.113	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1	ZINC000802891355	630424762	/nfs/dbraw/zinc/42/47/62/630424762.db2.gz	QJICDGIMFBNXLN-UWVGGRQHSA-N	-1	0	298.264	3.181	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc3c(c2)CCO3)c1	ZINC000806558421	630565964	/nfs/dbraw/zinc/56/59/64/630565964.db2.gz	CBAUDQLYTXPGKI-GQCTYLIASA-N	-1	0	294.306	3.216	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)no1	ZINC000806556213	630566104	/nfs/dbraw/zinc/56/61/04/630566104.db2.gz	PWICAWGOPQXPQY-SNAWJCMRSA-N	-1	0	285.299	3.194	20	30		CGEDRM
COc1ccccc1/C=C1/Cc2c(ccc([O-])c2F)C1=O	ZINC000806574922	630568640	/nfs/dbraw/zinc/56/86/40/630568640.db2.gz	JIJMPUZFKANKFE-FLIBITNWSA-N	-1	0	284.286	3.362	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])cs1)C2	ZINC000811695109	631111169	/nfs/dbraw/zinc/11/11/69/631111169.db2.gz	XVGROPQXSCFLMT-WZUFQYTHSA-N	-1	0	295.319	3.140	20	30		CGEDRM
COc1ccc(F)cc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000812243484	631231558	/nfs/dbraw/zinc/23/15/58/631231558.db2.gz	NEQAEZGKYQANDT-QHHAFSJGSA-N	-1	0	288.274	3.142	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2cccc(Cl)c2)CC(C)C1	ZINC000837049346	634848589	/nfs/dbraw/zinc/84/85/89/634848589.db2.gz	FHQQEGQZRPARNF-UHFFFAOYSA-N	-1	0	279.767	3.242	20	30		CGEDRM
Cc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)cc1	ZINC000814685287	631621838	/nfs/dbraw/zinc/62/18/38/631621838.db2.gz	FSQJVSMYDATFOE-UHFFFAOYSA-N	-1	0	260.337	3.428	20	30		CGEDRM
C[C@@H]1C(=NNCc2cccc(Cl)c2)CC[C@H]1CC(=O)[O-]	ZINC000814867811	631659064	/nfs/dbraw/zinc/65/90/64/631659064.db2.gz	OTOTXQOMHHSJHZ-JQWIXIFHSA-N	-1	0	294.782	3.306	20	30		CGEDRM
COc1cc(F)cc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814870467	631660099	/nfs/dbraw/zinc/66/00/99/631660099.db2.gz	DBAMIMGCXMEEDQ-NXEZZACHSA-N	-1	0	294.326	3.123	20	30		CGEDRM
Cc1ccc(F)c(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814872728	631661134	/nfs/dbraw/zinc/66/11/34/631661134.db2.gz	WSQORJTVAQMRRN-WDEREUQCSA-N	-1	0	278.327	3.423	20	30		CGEDRM
Cc1ccc(F)c(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814872727	631661291	/nfs/dbraw/zinc/66/12/91/631661291.db2.gz	WSQORJTVAQMRRN-QWRGUYRKSA-N	-1	0	278.327	3.423	20	30		CGEDRM
Cc1cccc(F)c1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814905316	631674581	/nfs/dbraw/zinc/67/45/81/631674581.db2.gz	SPHAROKUIONBIK-MNOVXSKESA-N	-1	0	278.327	3.423	20	30		CGEDRM
C[C@H]1C(=NOC2CCCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814909222	631677182	/nfs/dbraw/zinc/67/71/82/631677182.db2.gz	FLHOETPMXLSROB-GHMZBOCLSA-N	-1	0	253.342	3.213	20	30		CGEDRM
Cc1cccnc1N=NC1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814911738	631678811	/nfs/dbraw/zinc/67/88/11/631678811.db2.gz	SDAJISPNRGLHMM-VXGBXAGGSA-N	-1	0	289.379	3.315	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ncccc1C	ZINC000814911461	631679170	/nfs/dbraw/zinc/67/91/70/631679170.db2.gz	JBAAIWUVPPLJJR-UHFFFAOYSA-N	-1	0	283.331	3.151	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOC/C=C/Cl	ZINC000814934395	631689284	/nfs/dbraw/zinc/68/92/84/631689284.db2.gz	UBKNJGJAHKVDTC-KTAVOSRASA-N	-1	0	267.712	3.105	20	30		CGEDRM
O=C([O-])CNN=C(CCCc1ccccc1)c1ccccc1	ZINC000814958418	631698340	/nfs/dbraw/zinc/69/83/40/631698340.db2.gz	QYUAWLAAYVGGHJ-UHFFFAOYSA-N	-1	0	296.370	3.088	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC3CCC2CC3)c1	ZINC000815878243	631829514	/nfs/dbraw/zinc/82/95/14/631829514.db2.gz	YMWKQLBCSQYEDE-KGPNIALWSA-N	-1	0	270.332	3.029	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000816781153	632049987	/nfs/dbraw/zinc/04/99/87/632049987.db2.gz	ZQTIKCDUUCLXFQ-UHFFFAOYSA-N	-1	0	283.274	3.135	20	30		CGEDRM
CCCCCCCC(=O)NCc1ccc(C(=O)[O-])s1	ZINC000817868901	632227910	/nfs/dbraw/zinc/22/79/10/632227910.db2.gz	AKGDAPMSJPHDNA-UHFFFAOYSA-N	-1	0	283.393	3.423	20	30		CGEDRM
CCCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000103815820	632236672	/nfs/dbraw/zinc/23/66/72/632236672.db2.gz	PGQUYTYQRNBYFI-ZDUSSCGKSA-N	-1	0	269.385	3.060	20	30		CGEDRM
O=C(/C=C\c1ccccc1F)c1ccc(O)cc1[O-]	ZINC000210008709	635778227	/nfs/dbraw/zinc/77/82/27/635778227.db2.gz	MIMSGVPZVOLWTO-YVMONPNESA-N	-1	0	258.248	3.133	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2cscn2)c1[O-]	ZINC000122217142	633340307	/nfs/dbraw/zinc/34/03/07/633340307.db2.gz	YPHWXPRGXYVCMU-QLKAYGNNSA-N	-1	0	297.723	3.029	20	30		CGEDRM
C[C@@]1(C#N)CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000826005806	633395407	/nfs/dbraw/zinc/39/54/07/633395407.db2.gz	MSOVIJJEUGFSTQ-ZDUSSCGKSA-N	-1	0	299.157	3.075	20	30		CGEDRM
CCC[C@@](C)(CC)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690942	633627706	/nfs/dbraw/zinc/62/77/06/633627706.db2.gz	XACRBVODTOPJBM-OAHLLOKOSA-N	-1	0	260.337	3.185	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCc3sccc32)c1	ZINC000870691305	633627865	/nfs/dbraw/zinc/62/78/65/633627865.db2.gz	IIPNVVZROXRNQW-CQSZACIVSA-N	-1	0	298.367	3.150	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000832718277	634084912	/nfs/dbraw/zinc/08/49/12/634084912.db2.gz	DRAJBZDHXGEEIL-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
CCCC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(C)ccn1	ZINC000872360545	634117798	/nfs/dbraw/zinc/11/77/98/634117798.db2.gz	PPIPMZPOZRTYER-UHFFFAOYSA-N	-1	0	298.346	3.100	20	30		CGEDRM
CCCCCCCNC(=O)CC1(CC(=O)[O-])CCC1	ZINC000872882387	634218061	/nfs/dbraw/zinc/21/80/61/634218061.db2.gz	VYVSDJPVPDENKJ-UHFFFAOYSA-N	-1	0	269.385	3.108	20	30		CGEDRM
C=CCCCCC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000834967321	634297836	/nfs/dbraw/zinc/29/78/36/634297836.db2.gz	YFDUKXZLRFMJOL-UHFFFAOYSA-N	-1	0	261.325	3.314	20	30		CGEDRM
CC(=NN[C@H](C)C(F)(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000834998426	634306109	/nfs/dbraw/zinc/30/61/09/634306109.db2.gz	HCIUHKOKLPIXIK-WCBMZHEXSA-N	-1	0	282.306	3.184	20	30		CGEDRM
C[C@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835007144	634311727	/nfs/dbraw/zinc/31/17/27/634311727.db2.gz	PNUFOPLRKIZKHV-WDEREUQCSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])nc1	ZINC000835006967	634311949	/nfs/dbraw/zinc/31/19/49/634311949.db2.gz	MXKHHDIBNOTRBI-WDEREUQCSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@]1(CN=Nc2ccc(C(=O)[O-])cc2F)CCCS1	ZINC000835007929	634312727	/nfs/dbraw/zinc/31/27/27/634312727.db2.gz	CFBIVFOLDQMHFE-CYBMUJFWSA-N	-1	0	282.340	3.207	20	30		CGEDRM
CC(C)(C)CC(N=Nc1ccc(C(=O)[O-])nc1)C1CC1	ZINC000835009822	634314155	/nfs/dbraw/zinc/31/41/55/634314155.db2.gz	DPMNXSLVGCRKSE-UHFFFAOYSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000843270520	635630053	/nfs/dbraw/zinc/63/00/53/635630053.db2.gz	WFXMPVAWZXUNQN-XQRVVYSFSA-N	-1	0	288.322	3.280	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845842288	636106536	/nfs/dbraw/zinc/10/65/36/636106536.db2.gz	SZMQHTHEWFHWHK-CQSZACIVSA-N	-1	0	293.322	3.211	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(CC)(CC)c1ccccc1	ZINC000846545843	636198062	/nfs/dbraw/zinc/19/80/62/636198062.db2.gz	IZAMAOQWOBQJCC-ZDUSSCGKSA-N	-1	0	261.365	3.367	20	30		CGEDRM
Cc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1Cl	ZINC000134081602	636997998	/nfs/dbraw/zinc/99/79/98/636997998.db2.gz	JNOJZWUFZVFMBZ-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CCCCCCCC(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000110788064	637696779	/nfs/dbraw/zinc/69/67/79/637696779.db2.gz	HHTCCJAIHQRGGB-UHFFFAOYSA-N	-1	0	298.408	3.126	20	30		CGEDRM
CC(C)c1ccc2ncc(C#N)c(SCC(=O)[O-])c2c1	ZINC000886905346	637718569	/nfs/dbraw/zinc/71/85/69/637718569.db2.gz	DPDHDUWLYJARHK-UHFFFAOYSA-N	-1	0	286.356	3.407	20	30		CGEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000853252763	637795125	/nfs/dbraw/zinc/79/51/25/637795125.db2.gz	UDNAMMVTXLIALG-HNNXBMFYSA-N	-1	0	290.363	3.378	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000887328072	637799195	/nfs/dbraw/zinc/79/91/95/637799195.db2.gz	KFKHFNXSSMLGRA-UHFFFAOYSA-N	-1	0	286.331	3.407	20	30		CGEDRM
N#CC1(CNC(=O)c2cccc(Cl)c2[O-])CCCCC1	ZINC000855957019	638282862	/nfs/dbraw/zinc/28/28/62/638282862.db2.gz	IVSPRHSFHYTKJF-UHFFFAOYSA-N	-1	0	292.766	3.249	20	30		CGEDRM
C=CCCO[N-]C(=O)CSc1cc(C)ccc1C	ZINC000856027882	638286095	/nfs/dbraw/zinc/28/60/95/638286095.db2.gz	FBAASTPFVPMIDF-UHFFFAOYSA-N	-1	0	265.378	3.019	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc(Cl)cc1	ZINC000856030867	638287137	/nfs/dbraw/zinc/28/71/37/638287137.db2.gz	UJPJEJYHVBIHEW-UHFFFAOYSA-N	-1	0	267.756	3.242	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Sc1ccccc1Cl	ZINC000856030837	638287626	/nfs/dbraw/zinc/28/76/26/638287626.db2.gz	STSNQEIAUJVKPO-SNVBAGLBSA-N	-1	0	285.796	3.445	20	30		CGEDRM
C=CCCCCCN(C)c1cc(Cl)[nH]c(=O)n1	ZINC000858421009	638711227	/nfs/dbraw/zinc/71/12/27/638711227.db2.gz	YMIYYILYWGQYJR-UHFFFAOYSA-N	-1	0	255.749	3.018	20	30		CGEDRM
N#CCC1(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000935781606	639857575	/nfs/dbraw/zinc/85/75/75/639857575.db2.gz	MRGAUHCKLJTCIG-UHFFFAOYSA-N	-1	0	299.157	3.123	20	30		CGEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708717	639998135	/nfs/dbraw/zinc/99/81/35/639998135.db2.gz	VTMWBPKVSGVSQQ-UHFFFAOYSA-N	-1	0	281.377	3.302	20	30		CGEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1)C1CC1	ZINC000049135146	640084243	/nfs/dbraw/zinc/08/42/43/640084243.db2.gz	OIEMWKOQLRDYCS-BZYZDCJZSA-N	-1	0	293.388	3.380	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C	ZINC000077882305	640266225	/nfs/dbraw/zinc/26/62/25/640266225.db2.gz	MOTGDXUHOUITOS-JTQLQIEISA-N	-1	0	269.366	3.080	20	30		CGEDRM
COCc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000193146998	640435249	/nfs/dbraw/zinc/43/52/49/640435249.db2.gz	YCVQJTQQPACVON-VOTSOKGWSA-N	-1	0	274.341	3.496	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1sccc1[O-]	ZINC000193149748	640436378	/nfs/dbraw/zinc/43/63/78/640436378.db2.gz	CRMVIXOAKQQEQD-SNAWJCMRSA-N	-1	0	276.361	3.370	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=COCCC2)n1	ZINC000080454807	640480351	/nfs/dbraw/zinc/48/03/51/640480351.db2.gz	UEJAKQPMVSRGJR-LLVKDONJSA-N	-1	0	276.361	3.137	20	30		CGEDRM
Cc1cc(Nc2cc(F)ccc2C#N)ccc1C(=O)[O-]	ZINC001211657112	814927394	/nfs/dbraw/zinc/92/73/94/814927394.db2.gz	ANTKOZPSWUYTTJ-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C=C[C@](C)(O)CNc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001252566189	806070044	/nfs/dbraw/zinc/07/00/44/806070044.db2.gz	BHYAWNXNIQURKF-YOEHRIQHSA-N	-1	0	291.391	3.250	20	30		CGEDRM
CCCCCCCCc1cn(CCCC(=O)[O-])nn1	ZINC001254085833	806339519	/nfs/dbraw/zinc/33/95/19/806339519.db2.gz	ATOSFJKTRXAJMG-UHFFFAOYSA-N	-1	0	267.373	3.046	20	30		CGEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000028911297	798844016	/nfs/dbraw/zinc/84/40/16/798844016.db2.gz	QEXNXGQMOIQCSB-GQCTYLIASA-N	-1	0	287.246	3.336	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)CCC3)c1	ZINC000176405519	799096809	/nfs/dbraw/zinc/09/68/09/799096809.db2.gz	BPWPVAXSHARUGW-UHFFFAOYSA-N	-1	0	278.311	3.005	20	30		CGEDRM
O=C(CCc1nnc(Cc2ccccc2F)o1)C1=CC=C[CH]1	ZINC001255825526	806759890	/nfs/dbraw/zinc/75/98/90/806759890.db2.gz	HLEOACWVMREIIN-UHFFFAOYSA-N	-1	0	297.309	3.002	20	30		CGEDRM
CCn1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cn1	ZINC000588480291	799699758	/nfs/dbraw/zinc/69/97/58/799699758.db2.gz	QMHNTRKGNYWXDB-HYXAFXHYSA-N	-1	0	276.723	3.158	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C\c1ccc(O)c(C(=O)[O-])c1)C2=O	ZINC000809154179	800413960	/nfs/dbraw/zinc/41/39/60/800413960.db2.gz	OTJSQVQKHYWZSJ-NTUHNPAUSA-N	-1	0	294.306	3.221	20	30		CGEDRM
CC(C)c1nc(C=NNc2ccc(C(=O)[O-])cc2)cs1	ZINC001115878638	802283969	/nfs/dbraw/zinc/28/39/69/802283969.db2.gz	VTLHCVKJVRGLQC-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cccc(CSCC(=O)[O-])c1	ZINC001123277548	802923938	/nfs/dbraw/zinc/92/39/38/802923938.db2.gz	KPKYDTNLLWSQEH-UHFFFAOYSA-N	-1	0	293.388	3.299	20	30		CGEDRM
CCCc1[nH]ccc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001123381928	802939037	/nfs/dbraw/zinc/93/90/37/802939037.db2.gz	NJFHSMCBFGSYJT-NSHDSACASA-N	-1	0	289.285	3.130	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(C)c(C#N)c(F)c2)c1	ZINC001244177694	803226961	/nfs/dbraw/zinc/22/69/61/803226961.db2.gz	FWLZIMRPMYUSPV-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cccc(F)c2CC#N)c1	ZINC001244178556	803227966	/nfs/dbraw/zinc/22/79/66/803227966.db2.gz	OSGGLDJZTIROCG-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(-c2ccc(CCC(=O)[O-])cc2)c(CC#N)c1	ZINC001244190536	803235088	/nfs/dbraw/zinc/23/50/88/803235088.db2.gz	FQXNPOYQOIAVLH-UHFFFAOYSA-N	-1	0	295.338	3.445	20	30		CGEDRM
N#Cc1cc(-c2cc(F)c([O-])c(Cl)c2)cnc1F	ZINC001244502256	803408514	/nfs/dbraw/zinc/40/85/14/803408514.db2.gz	KMVFCWMVRQJRNK-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cc(-c2cc(C#N)nc(C3CC3)n2)cc([O-])c1F	ZINC001244516682	803413482	/nfs/dbraw/zinc/41/34/82/803413482.db2.gz	BHNJKJRWMBLJCT-UHFFFAOYSA-N	-1	0	269.279	3.046	20	30		CGEDRM
N#CCc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)nc1	ZINC001244609764	803463588	/nfs/dbraw/zinc/46/35/88/803463588.db2.gz	CGMDLPRAFBHWJZ-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
COc1cc(C#N)cnc1-c1ccc(Cl)c([O-])c1F	ZINC001244630020	803473274	/nfs/dbraw/zinc/47/32/74/803473274.db2.gz	MXHWSAXYLSISCB-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#CCc1c[nH]c2cccc(-c3cc(C(=O)[O-])cnc3F)c12	ZINC001244763761	803523844	/nfs/dbraw/zinc/52/38/44/803523844.db2.gz	QYNCBLYLNKASIT-UHFFFAOYSA-N	-1	0	295.273	3.133	20	30		CGEDRM
Cc1cc(-c2nccc(C#N)c2F)cc(C)c1C(=O)[O-]	ZINC001244945139	803585950	/nfs/dbraw/zinc/58/59/50/803585950.db2.gz	CQPBMPVULRTBBL-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ncnc2ccc(C#N)cc21	ZINC001245297865	803694327	/nfs/dbraw/zinc/69/43/27/803694327.db2.gz	YWUPFSJCJHUONN-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
Cc1cc(-c2cc(CC(=O)[O-])ccc2F)nc(C)c1C#N	ZINC001245316047	803698203	/nfs/dbraw/zinc/69/82/03/803698203.db2.gz	CQQKOGYIGOTPTN-UHFFFAOYSA-N	-1	0	284.290	3.003	20	30		CGEDRM
N#Cc1cnc2ccc(-c3ccc(C(=O)[O-])cc3Cl)cn12	ZINC001245373670	803718818	/nfs/dbraw/zinc/71/88/18/803718818.db2.gz	HGUJZULNVHIWNW-UHFFFAOYSA-N	-1	0	297.701	3.225	20	30		CGEDRM
N#Cc1cc(-c2c(F)ccc([O-])c2Cl)cnc1F	ZINC001245831605	803986501	/nfs/dbraw/zinc/98/65/01/803986501.db2.gz	GJESCMGWDDYPMX-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccc(F)cc3F)[n-]2)c1	ZINC001245937249	804067511	/nfs/dbraw/zinc/06/75/11/804067511.db2.gz	JYIRYQFIFBUTOP-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
Cc1cc(C)cc(-c2cc(=O)n(-c3ccc(C#N)nc3)[n-]2)c1	ZINC001245947872	804081649	/nfs/dbraw/zinc/08/16/49/804081649.db2.gz	BNEOAJQFOTZPRC-UHFFFAOYSA-N	-1	0	290.326	3.128	20	30		CGEDRM
CCCN(CCC#N)Cc1ccc(Cl)cc1C(=O)[O-]	ZINC001142657274	804750402	/nfs/dbraw/zinc/75/04/02/804750402.db2.gz	SWLXWVMRCIOTNV-UHFFFAOYSA-N	-1	0	280.755	3.164	20	30		CGEDRM
C=CCCNC(=S)Nc1ccc(Cl)cc1[S-]	ZINC001247650596	804793604	/nfs/dbraw/zinc/79/36/04/804793604.db2.gz	YTGHNTUUFKMBJC-UHFFFAOYSA-N	-1	0	272.826	3.491	20	30		CGEDRM
N#C[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001148815596	805211388	/nfs/dbraw/zinc/21/13/88/805211388.db2.gz	QQCCSEISGMGUFN-SECBINFHSA-N	-1	0	299.157	3.217	20	30		CGEDRM
C#C[C@H]1CCCN(C(=S)[N-]c2ccccc2SC)C1	ZINC001249697333	805217036	/nfs/dbraw/zinc/21/70/36/805217036.db2.gz	CCPZAURSQRVTTD-LBPRGKRZSA-N	-1	0	290.457	3.451	20	30		CGEDRM
CC[C@H](CC#N)NC(=S)[N-]c1ccccc1SC	ZINC001249712662	805220831	/nfs/dbraw/zinc/22/08/31/805220831.db2.gz	DSAUAENESBHOGG-SNVBAGLBSA-N	-1	0	279.434	3.387	20	30		CGEDRM
N#Cc1ccccc1Cc1cccc(/C=C/C(=O)[O-])c1	ZINC001250045055	805385674	/nfs/dbraw/zinc/38/56/74/805385674.db2.gz	UOGKVBZCEXKVQE-CMDGGOBGSA-N	-1	0	263.296	3.247	20	30		CGEDRM
Cc1c(Cc2ccc(C#N)cc2)cccc1C(=O)[O-]	ZINC001250055774	805394547	/nfs/dbraw/zinc/39/45/47/805394547.db2.gz	WOJKNKSHPINRII-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1ccc(Cl)c([O-])c1	ZINC001212593966	815080798	/nfs/dbraw/zinc/08/07/98/815080798.db2.gz	OCKHMLSYAPJUGS-UHFFFAOYSA-N	-1	0	260.680	3.366	20	30		CGEDRM
COc1cccc(OC)c1Nc1scc([O-])c1C#N	ZINC001173923824	808763265	/nfs/dbraw/zinc/76/32/65/808763265.db2.gz	RHPRQZUUJKNSMP-UHFFFAOYSA-N	-1	0	276.317	3.086	20	30		CGEDRM
Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc1C#N	ZINC001174507593	809053514	/nfs/dbraw/zinc/05/35/14/809053514.db2.gz	MZKBAGAYLXUXEE-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)cc1	ZINC001174676835	809127060	/nfs/dbraw/zinc/12/70/60/809127060.db2.gz	IYZGHUPLGCOLSI-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])s2)cc1C#N	ZINC001174810116	809169123	/nfs/dbraw/zinc/16/91/23/809169123.db2.gz	GWBODXSGKOVGNT-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(F)c1F	ZINC001175160531	809292964	/nfs/dbraw/zinc/29/29/64/809292964.db2.gz	OWNOUEVEDLSLEF-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175215750	809311598	/nfs/dbraw/zinc/31/15/98/809311598.db2.gz	SOJMXRMJTCZXOU-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(F)c1	ZINC001175218650	809312266	/nfs/dbraw/zinc/31/22/66/809312266.db2.gz	JOMMIUJCJVHNLI-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001175219612	809312308	/nfs/dbraw/zinc/31/23/08/809312308.db2.gz	BGCLGVQCDJKRBZ-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cn1	ZINC001175316206	809352831	/nfs/dbraw/zinc/35/28/31/809352831.db2.gz	NZULASNYAXTTDP-UHFFFAOYSA-N	-1	0	272.691	3.158	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1O	ZINC001175320943	809354018	/nfs/dbraw/zinc/35/40/18/809354018.db2.gz	XIJGKCFJQREVOO-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
N#Cc1cc(Nc2csc(C(=O)[O-])c2)cc(F)c1F	ZINC001176440051	809698676	/nfs/dbraw/zinc/69/86/76/809698676.db2.gz	FVKPWKFVTCFMAS-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176663079	809737087	/nfs/dbraw/zinc/73/70/87/809737087.db2.gz	AVYWLNWXIUINMX-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
Cc1nsc(Nc2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001176662656	809737457	/nfs/dbraw/zinc/73/74/57/809737457.db2.gz	UUQOFRCANFGZNS-UHFFFAOYSA-N	-1	0	285.250	3.190	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC001176680064	809741836	/nfs/dbraw/zinc/74/18/36/809741836.db2.gz	NOXUMKFIHIUMKP-UHFFFAOYSA-N	-1	0	282.255	3.018	20	30		CGEDRM
N#Cc1cc(NC(=O)C2CCC3(CC3)CC2)c([O-])cc1F	ZINC001183881300	810167234	/nfs/dbraw/zinc/16/72/34/810167234.db2.gz	AHLFUCRBKFTDHR-UHFFFAOYSA-N	-1	0	288.322	3.312	20	30		CGEDRM
CCCCN(O)C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC001184314943	810190526	/nfs/dbraw/zinc/19/05/26/810190526.db2.gz	OHAGUCJJWZTZTK-INIZCTEOSA-N	-1	0	297.395	3.073	20	30		CGEDRM
N#Cc1cnccc1Nc1ccc(Cl)c(Cl)c1[O-]	ZINC001214016923	815356959	/nfs/dbraw/zinc/35/69/59/815356959.db2.gz	XLFLSCQZLJAMCU-UHFFFAOYSA-N	-1	0	280.114	3.131	20	30		CGEDRM
Cc1coc(NC(=O)c2cccc([S-])c2)c1C#N	ZINC001186130749	810315606	/nfs/dbraw/zinc/31/56/06/810315606.db2.gz	ZBMXVXDZHQOJJY-UHFFFAOYSA-N	-1	0	258.302	3.001	20	30		CGEDRM
CCCCCCCCCCCCS(=O)(=O)[N-]C#N	ZINC001187724539	810420418	/nfs/dbraw/zinc/42/04/18/810420418.db2.gz	ZKRLGYTVMBRVQJ-UHFFFAOYSA-N	-1	0	274.430	3.308	20	30		CGEDRM
C=CCCCNC(=O)c1ccc([O-])c(C(F)(F)F)c1	ZINC001188588909	810490212	/nfs/dbraw/zinc/49/02/12/810490212.db2.gz	ZDNQZPMFXIULFL-UHFFFAOYSA-N	-1	0	273.254	3.107	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ncc(C)cc1C#N	ZINC001214271027	815391964	/nfs/dbraw/zinc/39/19/64/815391964.db2.gz	WGHOBYBCZRLABS-UHFFFAOYSA-N	-1	0	297.314	3.102	20	30		CGEDRM
CCOc1ccc(C)cc1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193647283	810927618	/nfs/dbraw/zinc/92/76/18/810927618.db2.gz	YMTCUMYBSFFKKR-UHFFFAOYSA-N	-1	0	296.326	3.223	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1	ZINC001214601608	815431047	/nfs/dbraw/zinc/43/10/47/815431047.db2.gz	UKASJKTYDWPKHV-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
CCOc1ccc(C)cc1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195751105	811286040	/nfs/dbraw/zinc/28/60/40/811286040.db2.gz	QAVVJZDEAGZLRI-UHFFFAOYSA-N	-1	0	296.326	3.223	20	30		CGEDRM
COc1ccc(F)c(Nc2scc([O-])c2C#N)c1OC	ZINC001214694401	815444053	/nfs/dbraw/zinc/44/40/53/815444053.db2.gz	SJTBYAUAYQHFKI-UHFFFAOYSA-N	-1	0	294.307	3.225	20	30		CGEDRM
N#Cc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1	ZINC001197070016	811397024	/nfs/dbraw/zinc/39/70/24/811397024.db2.gz	YTTMJACKGOQIPF-UHFFFAOYSA-N	-1	0	297.339	3.065	20	30		CGEDRM
Cc1ccccc1NC(=S)Nc1c(O)cccc1C#N	ZINC001198431371	811502706	/nfs/dbraw/zinc/50/27/06/811502706.db2.gz	MYILLZXSRURNMD-UHFFFAOYSA-N	-1	0	283.356	3.381	20	30		CGEDRM
Cc1cccc(NC(=S)Nc2ccc(C#N)cc2O)c1	ZINC001198690034	811535069	/nfs/dbraw/zinc/53/50/69/811535069.db2.gz	LICZKJAGXWSZMJ-UHFFFAOYSA-N	-1	0	283.356	3.381	20	30		CGEDRM
N#Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(F)c1	ZINC001201574255	811910665	/nfs/dbraw/zinc/91/06/65/811910665.db2.gz	UUQSRHWGUQUSHH-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
N#Cc1ccc(Nc2cc(C(=O)[O-])cnc2F)c(Cl)c1	ZINC001215128411	815486966	/nfs/dbraw/zinc/48/69/66/815486966.db2.gz	RELVSRONRHAPPJ-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1cnccn1	ZINC001201831301	811967285	/nfs/dbraw/zinc/96/72/85/811967285.db2.gz	QAGMMXYDTXRXNI-UHFFFAOYSA-N	-1	0	299.440	3.359	20	30		CGEDRM
N#CCc1ccccc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215467561	815522544	/nfs/dbraw/zinc/52/25/44/815522544.db2.gz	FNAJDSFTRNXBSX-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(F)c(C(=O)[O-])c2F)nc1C	ZINC001205061568	812843442	/nfs/dbraw/zinc/84/34/42/812843442.db2.gz	POCGKPXHUPDKFS-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205100243	812864794	/nfs/dbraw/zinc/86/47/94/812864794.db2.gz	KTBNSMSCMDUZCE-UHFFFAOYSA-N	-1	0	299.236	3.030	20	30		CGEDRM
COc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1C	ZINC001215802056	815598141	/nfs/dbraw/zinc/59/81/41/815598141.db2.gz	VGHLCHHNEGGIMC-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3csc(C(=O)[O-])c3)cc12	ZINC001206279500	813270099	/nfs/dbraw/zinc/27/00/99/813270099.db2.gz	WJUVXTNVBZWWDX-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
O=C([O-])c1cc(-c2ccc3c(c2)CC/C3=N/O)cs1	ZINC001206298953	813277756	/nfs/dbraw/zinc/27/77/56/813277756.db2.gz	VRKBPUIXRSAGAG-QINSGFPZSA-N	-1	0	273.313	3.238	20	30		CGEDRM
N#Cc1cc(Nc2ccc(Cl)cc2[S-])ccn1	ZINC001206626695	813377983	/nfs/dbraw/zinc/37/79/83/813377983.db2.gz	AWGGADVJNNVROA-UHFFFAOYSA-N	-1	0	261.737	3.061	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3cc(F)c([O-])cc3F)c12	ZINC001206767730	813430892	/nfs/dbraw/zinc/43/08/92/813430892.db2.gz	ISQVLBXVAFWUTO-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)c([O-])cc1F)CCCC2	ZINC001206776021	813434732	/nfs/dbraw/zinc/43/47/32/813434732.db2.gz	WHXUMIPSJQPGFI-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
N#Cc1ccccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889743	814189452	/nfs/dbraw/zinc/18/94/52/814189452.db2.gz	SPIHZRMUSBRAMI-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1cccc(Nc2cc(F)cc(C(=O)[O-])c2)c1F	ZINC001209889654	814189605	/nfs/dbraw/zinc/18/96/05/814189605.db2.gz	PQBLGRPZBYTOPZ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1coc(Nc2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001209889644	814189805	/nfs/dbraw/zinc/18/98/05/814189805.db2.gz	QVJQIZILIJHUKR-UHFFFAOYSA-N	-1	0	260.224	3.041	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209893147	814190413	/nfs/dbraw/zinc/19/04/13/814190413.db2.gz	DHDLOEOXGXXIOO-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(Nc2ccc(OC)c(C(=O)[O-])c2)cc1C#N	ZINC001209902593	814194023	/nfs/dbraw/zinc/19/40/23/814194023.db2.gz	GGQFAQZESRUMKQ-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1cccc(Nc2cccc(CC(=O)[O-])c2)c1F	ZINC001210070319	814272752	/nfs/dbraw/zinc/27/27/52/814272752.db2.gz	DCLYWTLYTJCYHR-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1sc(Nc2ccc(C(=O)[O-])nc2)c(C#N)c1C	ZINC001210170178	814320266	/nfs/dbraw/zinc/32/02/66/814320266.db2.gz	IJEVYIKDYMETMP-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210241950	814361888	/nfs/dbraw/zinc/36/18/88/814361888.db2.gz	DWNWMGCQRSEJGA-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccnc(Cl)c2[O-])c1	ZINC001210389000	814438152	/nfs/dbraw/zinc/43/81/52/814438152.db2.gz	SRMWEVZCEDDHFE-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210400513	814445965	/nfs/dbraw/zinc/44/59/65/814445965.db2.gz	IZCOPHZZYOZVKT-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
COCOc1ccc(Nc2scc([O-])c2C#N)c(C)c1	ZINC001210490449	814487566	/nfs/dbraw/zinc/48/75/66/814487566.db2.gz	LJOGAGHJOGLTSP-UHFFFAOYSA-N	-1	0	290.344	3.360	20	30		CGEDRM
N#Cc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210741757	814606797	/nfs/dbraw/zinc/60/67/97/814606797.db2.gz	ADXBHKLBKUFTQQ-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
Cn1ncc(C#N)c1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210924357	814676774	/nfs/dbraw/zinc/67/67/74/814676774.db2.gz	KCUMABNJVXGSBK-UHFFFAOYSA-N	-1	0	283.118	3.048	20	30		CGEDRM
N#Cc1cn(-c2cccc([S-])c2)c2ccc(N)cc12	ZINC001210948311	814687571	/nfs/dbraw/zinc/68/75/71/814687571.db2.gz	OWWYSQLBCKYYNR-UHFFFAOYSA-N	-1	0	265.341	3.373	20	30		CGEDRM
COc1c(Nc2cc(F)ccc2C#N)cccc1C(=O)[O-]	ZINC001211037883	814715072	/nfs/dbraw/zinc/71/50/72/814715072.db2.gz	TZPUAQCPZQAOIB-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cccc([O-])c3Cl)c12	ZINC001242800474	823136790	/nfs/dbraw/zinc/13/67/90/823136790.db2.gz	IOFRAGIPLWOCLT-UHFFFAOYSA-N	-1	0	269.691	3.412	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cccc([O-])c2Cl)n1	ZINC001242801522	823137200	/nfs/dbraw/zinc/13/72/00/823137200.db2.gz	VBDNCWRYDQPLHG-UHFFFAOYSA-N	-1	0	291.763	3.405	20	30		CGEDRM
CSc1ccc(F)c([N-]c2oncc2C#N)c1F	ZINC001215839294	815610867	/nfs/dbraw/zinc/61/08/67/815610867.db2.gz	NOOLMHIMAUPHNO-UHFFFAOYSA-N	-1	0	267.260	3.290	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc([S-])c1)CCC2	ZINC001242864096	823157246	/nfs/dbraw/zinc/15/72/46/823157246.db2.gz	KEDROWHQEVQQBG-UHFFFAOYSA-N	-1	0	252.342	3.398	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cccc([S-])c2)n1	ZINC001242865802	823158207	/nfs/dbraw/zinc/15/82/07/823158207.db2.gz	CKRLBVKNSCAWDV-UHFFFAOYSA-N	-1	0	258.346	3.306	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3ccc([O-])c(F)c3F)n2)c1	ZINC001216932331	815903300	/nfs/dbraw/zinc/90/33/00/815903300.db2.gz	VDWBXZOKGUXORB-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1ccc(-c2ccccc2C(=O)[O-])cc1CC#N	ZINC001242877811	823161846	/nfs/dbraw/zinc/16/18/46/823161846.db2.gz	DBTBKVILRZNQLY-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1ncc(-c2cc(/C=N/[O-])ccc2F)cc1Cl	ZINC001242933344	823177928	/nfs/dbraw/zinc/17/79/28/823177928.db2.gz	QDEMYPTZZSFENM-UBKPWBPPSA-N	-1	0	280.686	3.358	20	30		CGEDRM
N#C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ccccc1	ZINC001223888722	816697662	/nfs/dbraw/zinc/69/76/62/816697662.db2.gz	RITAQJGVTGSGOE-SQQITKIUSA-N	-1	0	288.253	3.382	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CC[C@@H](C)CC2)c1	ZINC001223890993	816699242	/nfs/dbraw/zinc/69/92/42/816699242.db2.gz	AZZOWBRVFKXGML-UGTWYVGLSA-N	-1	0	293.363	3.435	20	30		CGEDRM
C=C[C@H](CCCCCCC)OCC[P@@](=O)([O-])O	ZINC001224601712	816831724	/nfs/dbraw/zinc/83/17/24/816831724.db2.gz	JYOBFIFIYTWJHZ-GFCCVEGCSA-N	-1	0	264.302	3.096	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(Cl)cc(=O)[n-]2)O1	ZINC001225562855	817092740	/nfs/dbraw/zinc/09/27/40/817092740.db2.gz	MWGXZGILTHPZCR-OTYXRUKQSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@H](CCCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225627246	817118059	/nfs/dbraw/zinc/11/80/59/817118059.db2.gz	YBAOBHLMDGOMMT-SNVBAGLBSA-N	-1	0	251.282	3.424	20	30		CGEDRM
C#C[C@@H](CC(C)C)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885941	817207125	/nfs/dbraw/zinc/20/71/25/817207125.db2.gz	QASSYQZDCRMADM-ZETCQYMHSA-N	-1	0	276.229	3.375	20	30		CGEDRM
C=CC[C@H](CCC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225981160	817237293	/nfs/dbraw/zinc/23/72/93/817237293.db2.gz	YSBZVBWWJNVGDG-MRVPVSSYSA-N	-1	0	276.258	3.325	20	30		CGEDRM
CC(C)CCC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226007951	817247164	/nfs/dbraw/zinc/24/71/64/817247164.db2.gz	BSSJLULSAGQHJD-SNVBAGLBSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CC(C)=CCC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009322	817248189	/nfs/dbraw/zinc/24/81/89/817248189.db2.gz	VKVYALHFYYZAFD-JTQLQIEISA-N	-1	0	264.300	3.312	20	30		CGEDRM
Cc1ccc(C)c2c1CCC[C@@H]2Oc1nccc(/C=N/O)n1	ZINC001226254863	817312085	/nfs/dbraw/zinc/31/20/85/817312085.db2.gz	DEGONGIOPOAWDF-RPJLVFAOSA-N	-1	0	297.358	3.358	20	30		CGEDRM
Cc1ccc(Cl)cc1[C@H](C)Oc1nccc(/C=N/O)n1	ZINC001226254666	817312411	/nfs/dbraw/zinc/31/24/11/817312411.db2.gz	BZRCKPDQYZEVCV-JVDJPWEPSA-N	-1	0	291.738	3.387	20	30		CGEDRM
C#C[C@H](Oc1c(O)ccc(C(C)=O)c1O)c1ccccc1	ZINC001226482542	817371232	/nfs/dbraw/zinc/37/12/32/817371232.db2.gz	OZKVIZWFIYWCQZ-HNNXBMFYSA-N	-1	0	282.295	3.054	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](Oc2ccnc(=S)[nH]2)C(C)(C)O1	ZINC001226941020	817511074	/nfs/dbraw/zinc/51/10/74/817511074.db2.gz	WRINZDREEXHYBM-QMTHXVAHSA-N	-1	0	280.393	3.046	20	30		CGEDRM
CCCCCCC[C@H](C)Oc1[n-]c(=O)nc2cnccc21	ZINC001226974457	817521470	/nfs/dbraw/zinc/52/14/70/817521470.db2.gz	NBZGERXIOVBNNU-LBPRGKRZSA-N	-1	0	289.379	3.446	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]c(=O)nc2cnccc21	ZINC001226976407	817522163	/nfs/dbraw/zinc/52/21/63/817522163.db2.gz	NQAWLGITKXJTRC-SLEUVZQESA-N	-1	0	299.374	3.078	20	30		CGEDRM
COc1ccc(-c2cc(C)cc(C(=O)[O-])c2)c(CC#N)c1	ZINC001243176877	823273873	/nfs/dbraw/zinc/27/38/73/823273873.db2.gz	FBSNRIPBAIWFNE-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227989291	817775508	/nfs/dbraw/zinc/77/55/08/817775508.db2.gz	KGXGGMOEPDGGRY-TVQRCGJNSA-N	-1	0	288.734	3.170	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2C)ccc1CC#N	ZINC001243203892	823289036	/nfs/dbraw/zinc/28/90/36/823289036.db2.gz	QILVWEZCIQVXBS-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]ncc(=O)c2Cl)O1	ZINC001228388941	817895803	/nfs/dbraw/zinc/89/58/03/817895803.db2.gz	XXPIUAGMILTZGB-IINYFYTJSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C[C@H](C#N)N(C)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232629333	818405100	/nfs/dbraw/zinc/40/51/00/818405100.db2.gz	OESAIYDNFMWZCC-SSDOTTSWSA-N	-1	0	259.136	3.043	20	30		CGEDRM
N#C[C@H](Oc1nc2c(cccc2O)[nH]1)c1cccc(F)c1	ZINC001234453192	818859166	/nfs/dbraw/zinc/85/91/66/818859166.db2.gz	UQENVTJGSNWFNK-ZDUSSCGKSA-N	-1	0	283.262	3.051	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(C=CC(=O)[O-])cc3)ccc2[nH]1	ZINC001235171141	819023228	/nfs/dbraw/zinc/02/32/28/819023228.db2.gz	VAIAEWZQOBUKGK-FPYGCLRLSA-N	-1	0	289.294	3.199	20	30		CGEDRM
N#CCc1cccnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236143283	819343979	/nfs/dbraw/zinc/34/39/79/819343979.db2.gz	MFDLRFUAEHEREM-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#Cc1cc(-c2ccc(Cl)c(C(=O)[O-])c2F)ccn1	ZINC001236152027	819347378	/nfs/dbraw/zinc/34/73/78/819347378.db2.gz	HWJOJCZRRZUGRF-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Nc1ncccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001243474480	823414851	/nfs/dbraw/zinc/41/48/51/823414851.db2.gz	XPINRMAREKYQMV-FBCYGCLPSA-N	-1	0	281.237	3.158	20	30		CGEDRM
CCCN(CCC#N)Cc1cc(F)cc(Cl)c1[O-]	ZINC001237798236	819845652	/nfs/dbraw/zinc/84/56/52/819845652.db2.gz	BUCNTQWBPBDXBW-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
N#CCOc1ccccc1-c1ccccc1/C=C/C(=O)[O-]	ZINC001243584569	823455738	/nfs/dbraw/zinc/45/57/38/823455738.db2.gz	QNVFKDQTIBYCTL-MDZDMXLPSA-N	-1	0	279.295	3.354	20	30		CGEDRM
N#Cc1cnccc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243610188	823466385	/nfs/dbraw/zinc/46/63/85/823466385.db2.gz	YHOHXGNFODDESV-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001239345299	820284759	/nfs/dbraw/zinc/28/47/59/820284759.db2.gz	AVEMLUPSJCIOES-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1ccc(-c2nc[n-]c3nc(=S)sc2-3)cc1F	ZINC001240144120	820851297	/nfs/dbraw/zinc/85/12/97/820851297.db2.gz	JRIZJYIUSAXOOW-UHFFFAOYSA-N	-1	0	288.332	3.053	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(C(=O)[O-])s1	ZINC001240846614	821367202	/nfs/dbraw/zinc/36/72/02/821367202.db2.gz	LLRMLZZAOYOCBV-UHFFFAOYSA-N	-1	0	277.276	3.155	20	30		CGEDRM
CN(C)/C=N/c1ccc(-c2ccc(C(=O)[O-])s2)cc1C#N	ZINC001240847219	821367487	/nfs/dbraw/zinc/36/74/87/821367487.db2.gz	DQWXZEZWBOENRW-RQZCQDPDSA-N	-1	0	299.355	3.206	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccc(CC(=O)[O-])cc1	ZINC001240973315	821457612	/nfs/dbraw/zinc/45/76/12/821457612.db2.gz	FUSWEDZYLVOICG-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1cc2cc(-c3ccc(CC(=O)[O-])cc3)ccc2[nH]1	ZINC001240975696	821459455	/nfs/dbraw/zinc/45/94/55/821459455.db2.gz	XPTOFQJQGKJPJW-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(C)cc2[O-])n1	ZINC001241030376	821506531	/nfs/dbraw/zinc/50/65/31/821506531.db2.gz	IYSQEDYJKSLXCC-UHFFFAOYSA-N	-1	0	256.305	3.031	20	30		CGEDRM
C=CCOc1ccc(-c2c(F)cc([O-])cc2F)nc1C#N	ZINC001241120280	821575651	/nfs/dbraw/zinc/57/56/51/821575651.db2.gz	XVGPFLNHDIAJKH-UHFFFAOYSA-N	-1	0	288.253	3.169	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241185140	821623010	/nfs/dbraw/zinc/62/30/10/821623010.db2.gz	NGODFSBFZIUBLA-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1nccc2cc(-c3cccc(C(=O)[O-])c3)ccc12	ZINC001241360382	821761713	/nfs/dbraw/zinc/76/17/13/821761713.db2.gz	DVZPQZLHRFRDIN-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1F	ZINC001242152909	822896759	/nfs/dbraw/zinc/89/67/59/822896759.db2.gz	NJXXKUSEOTVHRH-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1nc2c(cc1C#N)CCC2	ZINC001242208258	822910808	/nfs/dbraw/zinc/91/08/08/822910808.db2.gz	GTFRKLSMTIJPGM-UHFFFAOYSA-N	-1	0	296.301	3.255	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccccc1OCC#N	ZINC001242209825	822911333	/nfs/dbraw/zinc/91/13/33/822911333.db2.gz	ABFQRZYFKTUZKZ-UHFFFAOYSA-N	-1	0	285.274	3.402	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc2ncc(C#N)n2c1	ZINC001242210137	822911409	/nfs/dbraw/zinc/91/14/09/822911409.db2.gz	DYQMSIOZJNZGIT-UHFFFAOYSA-N	-1	0	295.273	3.019	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(CC#N)cnc1F	ZINC001242211682	822911692	/nfs/dbraw/zinc/91/16/92/822911692.db2.gz	PAGYDESUCZDDOG-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccc(F)cc2[O-])n1	ZINC001242216136	822913737	/nfs/dbraw/zinc/91/37/37/822913737.db2.gz	NPEFLMVTKINHOE-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1cccc(CC(=O)[O-])c1	ZINC001242261868	822929464	/nfs/dbraw/zinc/92/94/64/822929464.db2.gz	KHXOPZJBPDOESV-UHFFFAOYSA-N	-1	0	267.328	3.413	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])nc3)cc2)CCC1	ZINC001242336261	822954239	/nfs/dbraw/zinc/95/42/39/822954239.db2.gz	GIHOGHPYWWIZMU-UHFFFAOYSA-N	-1	0	278.311	3.392	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cccc(C(=O)[O-])c3F)nc2c1	ZINC001242376713	822973382	/nfs/dbraw/zinc/97/33/82/822973382.db2.gz	PDDKVVKMHSZJQN-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1cc(F)ccc1-c1ccccc1/C=C/C(=O)[O-]	ZINC001242583146	823044042	/nfs/dbraw/zinc/04/40/42/823044042.db2.gz	PMDVQEVIQGYQLO-VMPITWQZSA-N	-1	0	267.259	3.462	20	30		CGEDRM
CC(C)c1nc(C([O-])=C(C#N)c2cccc(F)n2)cs1	ZINC001342557954	936469844	/nfs/dbraw/zinc/46/98/44/936469844.db2.gz	KTRKZEBFSDYURI-VIFPVBQESA-N	-1	0	289.335	3.291	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000206976985	928877937	/nfs/dbraw/zinc/87/79/37/928877937.db2.gz	BNTFGFKNOTZXES-XQRVVYSFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1	ZINC001457012457	937437341	/nfs/dbraw/zinc/43/73/41/937437341.db2.gz	CBZHFNOKYYNYFM-UHFFFAOYSA-N	-1	0	294.335	3.350	20	30		CGEDRM
CC#Cc1cncc(Nc2ccc([S-])c(OC)c2)c1	ZINC001211059781	932011012	/nfs/dbraw/zinc/01/10/12/932011012.db2.gz	KKRKXMZJLXNZCO-UHFFFAOYSA-N	-1	0	270.357	3.494	20	30		CGEDRM
C/C(=N\[O-])c1ccccc1O[C@@H]1CC(F)(F)C1(F)F	ZINC001229739575	932477818	/nfs/dbraw/zinc/47/78/18/932477818.db2.gz	ZBEHHHYVZYTNKV-LZUJDIRXSA-N	-1	0	277.217	3.307	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885417	932636567	/nfs/dbraw/zinc/63/65/67/932636567.db2.gz	KGINOCWMJPGJIL-SKDRFNHKSA-N	-1	0	288.734	3.170	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc3c(c2)CCC3)c1	ZINC001317903330	933662979	/nfs/dbraw/zinc/66/29/79/933662979.db2.gz	FZNNMPDDBZFPOI-WQRHYEAKSA-N	-1	0	296.326	3.408	20	30		CGEDRM
O=C(/C=C/c1ccc2c(c1)CCC2)c1ccc(O)cc1[O-]	ZINC001319589260	933896991	/nfs/dbraw/zinc/89/69/91/933896991.db2.gz	XYSHFWBFULUXDZ-WEVVVXLNSA-N	-1	0	280.323	3.483	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1C)OCC	ZINC001334189502	936089886	/nfs/dbraw/zinc/08/98/86/936089886.db2.gz	VUKHOBMCYOPDNI-CQSZACIVSA-N	-1	0	291.347	3.003	20	30		CGEDRM
N#Cc1ccc2c(c1)CN(C(=O)c1cc(O)ccc1Cl)C2	ZINC001557206721	938208417	/nfs/dbraw/zinc/20/84/17/938208417.db2.gz	KSKXBNMQZATDPN-UHFFFAOYSA-N	-1	0	298.729	3.073	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)N1CCCc2cc(C(=O)[O-])ccc21	ZINC001602717574	971369305	/nfs/dbraw/zinc/36/93/05/971369305.db2.gz	SCFXTVKOHSVVAZ-KRWDZBQOSA-N	-1	0	287.359	3.266	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000112786318	949229160	/nfs/dbraw/zinc/22/91/60/949229160.db2.gz	KIXNOHJQZZKJBE-OAHLLOKOSA-N	-1	0	269.385	3.203	20	30		CGEDRM
CC(C)(C)c1csc(NC(=O)CCCC(=O)[O-])c1C#N	ZINC001602925563	971889370	/nfs/dbraw/zinc/88/93/70/971889370.db2.gz	KKVCYHCMHLFOMM-UHFFFAOYSA-N	-1	0	294.376	3.111	20	30		CGEDRM
Cc1oc(CNc2ccc(Cl)cc2C#N)cc1C(=O)[O-]	ZINC000052856307	957514631	/nfs/dbraw/zinc/51/46/31/957514631.db2.gz	RQWBGJJOXBVSOS-UHFFFAOYSA-N	-1	0	290.706	3.423	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000059218935	957561354	/nfs/dbraw/zinc/56/13/54/957561354.db2.gz	JMKKSHQKOMDPOU-OAHLLOKOSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000113651090	958448407	/nfs/dbraw/zinc/44/84/07/958448407.db2.gz	MDKCZEQQJFJZGM-STQMWFEESA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCCCCCCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000147289680	958998393	/nfs/dbraw/zinc/99/83/93/958998393.db2.gz	HTDFLAWXSDYFCS-KBPBESRZSA-N	-1	0	283.412	3.354	20	30		CGEDRM
O=C([O-])c1coc(/C=C\C(=O)c2ccc(F)cc2F)c1	ZINC001602554087	960548149	/nfs/dbraw/zinc/54/81/49/960548149.db2.gz	VISICFQUWUIYGY-RQOWECAXSA-N	-1	0	278.210	3.152	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCc3ccccc3C2)c1	ZINC001567073252	961111797	/nfs/dbraw/zinc/11/17/97/961111797.db2.gz	RAQMWKHASNFJNJ-OAHLLOKOSA-N	-1	0	292.338	3.007	20	30		CGEDRM
CC(C)(CCNc1ncc(C#N)c2ccsc21)C(=O)[O-]	ZINC001588778375	961289722	/nfs/dbraw/zinc/28/97/22/961289722.db2.gz	QHRMHUUXKPFAIW-UHFFFAOYSA-N	-1	0	289.360	3.081	20	30		CGEDRM
C=C(C)CCNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001569368801	961753711	/nfs/dbraw/zinc/75/37/11/961753711.db2.gz	UHNGLYIKZOODGP-UHFFFAOYSA-N	-1	0	274.147	3.395	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001573329049	962246233	/nfs/dbraw/zinc/24/62/33/962246233.db2.gz	VTRXRUZTSDBKLS-QGZVFWFLSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1	ZINC001573329588	962248405	/nfs/dbraw/zinc/24/84/05/962248405.db2.gz	JFSGYCHHAPBAAL-LBPRGKRZSA-N	-1	0	296.326	3.078	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001573840325	962285637	/nfs/dbraw/zinc/28/56/37/962285637.db2.gz	FXEHYXWVPHRAMX-CJNGLKHVSA-N	-1	0	283.412	3.306	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](Oc1ccccc1)c1ccccc1	ZINC001583408116	962802393	/nfs/dbraw/zinc/80/23/93/962802393.db2.gz	JXIRPDZGSGVOPR-YOEHRIQHSA-N	-1	0	297.354	3.429	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](OCCC)c1ccc(F)cc1C	ZINC001583413152	962809717	/nfs/dbraw/zinc/80/97/17/962809717.db2.gz	RGBASHDNKJNQSV-WFASDCNBSA-N	-1	0	295.354	3.224	20	30		CGEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001573348487	962958700	/nfs/dbraw/zinc/95/87/00/962958700.db2.gz	XPHSRDXQDRAOON-HNNXBMFYSA-N	-1	0	282.295	3.469	20	30		CGEDRM
C=CC[C@H]1CC[C@@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1	ZINC001573352765	962993264	/nfs/dbraw/zinc/99/32/64/962993264.db2.gz	JWCLKJIUGYYPII-GXTWGEPZSA-N	-1	0	299.374	3.278	20	30		CGEDRM
C=CC[C@H](Sc1nc2ccc(F)cc2o1)C(=O)[O-]	ZINC001573353428	963000489	/nfs/dbraw/zinc/00/04/89/963000489.db2.gz	VDFZGLBYNGQZAW-JTQLQIEISA-N	-1	0	267.281	3.088	20	30		CGEDRM
C=CCCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC001573357122	963013680	/nfs/dbraw/zinc/01/36/80/963013680.db2.gz	JPIQTYJECASQHU-CQSZACIVSA-N	-1	0	281.396	3.130	20	30		CGEDRM
N#Cc1cccc2c1CN(C(=O)c1cccc(Cl)c1[O-])C2	ZINC001586399005	963100655	/nfs/dbraw/zinc/10/06/55/963100655.db2.gz	ZNCMTEVOOWVZTM-UHFFFAOYSA-N	-1	0	298.729	3.073	20	30		CGEDRM
C#C[C@H](N[C@@H](CCCC)C(=O)[O-])c1ccc(Cl)cc1	ZINC001588376098	963270293	/nfs/dbraw/zinc/27/02/93/963270293.db2.gz	BHKVFBFXKFRYCP-KBPBESRZSA-N	-1	0	279.767	3.247	20	30		CGEDRM
C#CCCCS[C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC001588345750	963273159	/nfs/dbraw/zinc/27/31/59/963273159.db2.gz	QAZHOODRXIMYLY-NSHDSACASA-N	-1	0	272.377	3.074	20	30		CGEDRM
C#Cc1cccc(N(CC)Cc2ccc(C(=O)[O-])s2)c1	ZINC001588522271	963274208	/nfs/dbraw/zinc/27/42/08/963274208.db2.gz	MNJLGCYMVAMSLJ-UHFFFAOYSA-N	-1	0	285.368	3.454	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC001588530131	963276610	/nfs/dbraw/zinc/27/66/10/963276610.db2.gz	RBQJNVVBOFVIEI-UHFFFAOYSA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=C(C)CCc1noc(/C=C\c2ccc(C(=O)[O-])o2)n1	ZINC001588561541	963283475	/nfs/dbraw/zinc/28/34/75/963283475.db2.gz	JXAVPIHUHQYILC-YVMONPNESA-N	-1	0	274.276	3.040	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC001588536888	963286101	/nfs/dbraw/zinc/28/61/01/963286101.db2.gz	VITHARBDPRMYTP-JTQLQIEISA-N	-1	0	280.320	3.186	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)C1CCC(CCC)CC1	ZINC001588606966	963289982	/nfs/dbraw/zinc/28/99/82/963289982.db2.gz	NHZUBKGDYNKCCI-UHFFFAOYSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(C)(C)[C@@H]1c1ccccc1	ZINC001588612002	963294543	/nfs/dbraw/zinc/29/45/43/963294543.db2.gz	FDMWNOXWYPHQQV-HNNXBMFYSA-N	-1	0	287.359	3.017	20	30		CGEDRM
C=CC(C)(C)[NH2+]Cc1ccc(C(=O)[O-])cc1Br	ZINC001588681086	963296610	/nfs/dbraw/zinc/29/66/10/963296610.db2.gz	OXDRJANXVQVECK-UHFFFAOYSA-N	-1	0	298.180	3.202	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)OCc1ccc(C(=O)[O-])s1	ZINC001588682628	963297213	/nfs/dbraw/zinc/29/72/13/963297213.db2.gz	OOJWUJJODRDKTN-ZDUSSCGKSA-N	-1	0	268.334	3.092	20	30		CGEDRM
C=CC(C)(C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001588681553	963297252	/nfs/dbraw/zinc/29/72/52/963297252.db2.gz	YWRHPXHCTXRIEH-UHFFFAOYSA-N	-1	0	290.363	3.135	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-]	ZINC001588672507	963301315	/nfs/dbraw/zinc/30/13/15/963301315.db2.gz	UKUSBKAKCZYXNZ-MRXNPFEDSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C[C@@H](Sc1nccn1-c1ccc(C)c(C)c1)C(=O)[O-]	ZINC001588715458	963303192	/nfs/dbraw/zinc/30/31/92/963303192.db2.gz	XLTXRVMTZANFIR-CYBMUJFWSA-N	-1	0	288.372	3.220	20	30		CGEDRM
C=C[C@@H](Nc1cccc(OCCc2ccccc2)c1)C(=O)[O-]	ZINC001588702322	963304709	/nfs/dbraw/zinc/30/47/09/963304709.db2.gz	QDEWUQBWLXXECY-QGZVFWFLSA-N	-1	0	297.354	3.359	20	30		CGEDRM
C=C[C@H](Nc1cc(-c2cccnc2)ccc1C)C(=O)[O-]	ZINC001588702016	963305579	/nfs/dbraw/zinc/30/55/79/963305579.db2.gz	GEEJJVZABKEFET-AWEZNQCLSA-N	-1	0	268.316	3.108	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)[O-])c1ccsc1	ZINC001588737897	963308108	/nfs/dbraw/zinc/30/81/08/963308108.db2.gz	UUNZVCYOASKFTP-GFCCVEGCSA-N	-1	0	280.345	3.185	20	30		CGEDRM
C=CCC1(C(=O)NCc2cc(C)c(C(=O)[O-])o2)CCCC1	ZINC001588765351	963308329	/nfs/dbraw/zinc/30/83/29/963308329.db2.gz	YPHZHUOORSVAGW-UHFFFAOYSA-N	-1	0	291.347	3.039	20	30		CGEDRM
C=CC[C@@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccccc1	ZINC001588757041	963312285	/nfs/dbraw/zinc/31/22/85/963312285.db2.gz	SWPLKDFKGYXDTH-CQSZACIVSA-N	-1	0	285.299	3.187	20	30		CGEDRM
C=CC[C@@H](Nc1ccc2nc(C)sc2c1)C(=O)[O-]	ZINC001588751316	963313010	/nfs/dbraw/zinc/31/30/10/963313010.db2.gz	LHWLRWJKKRQKAX-LLVKDONJSA-N	-1	0	262.334	3.046	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)C1(CC=C)CCCC1)C(=O)[O-]	ZINC001588789337	963315133	/nfs/dbraw/zinc/31/51/33/963315133.db2.gz	BCGXESKPJSSNON-CYBMUJFWSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-]	ZINC001588790442	963316272	/nfs/dbraw/zinc/31/62/72/963316272.db2.gz	WZVWPPJXZJZNRH-KBPBESRZSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cc(Cl)ccc1C)C(=O)[O-]	ZINC001588792435	963316922	/nfs/dbraw/zinc/31/69/22/963316922.db2.gz	HFXQGMAXJDEOOW-CYBMUJFWSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588771536	963317218	/nfs/dbraw/zinc/31/72/18/963317218.db2.gz	XEUUDYDDOLNINJ-BXUZGUMPSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC001588786960	963318318	/nfs/dbraw/zinc/31/83/18/963318318.db2.gz	RZTJCGNZKSTVKW-GXTWGEPZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588771711	963318399	/nfs/dbraw/zinc/31/83/99/963318399.db2.gz	YEZFGWXGGYEYBK-WFASDCNBSA-N	-1	0	287.359	3.250	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588778282	963318788	/nfs/dbraw/zinc/31/87/88/963318788.db2.gz	ZYUQDGNLJIXMJS-UHFFFAOYSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C#CCCCCCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC001588440604	964040930	/nfs/dbraw/zinc/04/09/30/964040930.db2.gz	CVUHQSBIYBWHCJ-HNNXBMFYSA-N	-1	0	293.407	3.110	20	30		CGEDRM
CC[C@@H](CC#N)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001595030016	979162784	/nfs/dbraw/zinc/16/27/84/979162784.db2.gz	JJNJPSFUKCKQKV-ZETCQYMHSA-N	-1	0	297.698	3.051	20	30		CGEDRM
CCCC[C@H](SCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001595656807	982056378	/nfs/dbraw/zinc/05/63/78/982056378.db2.gz	CFQICSRBOKNUFU-ZDUSSCGKSA-N	-1	0	263.362	3.435	20	30		CGEDRM
CCCCCCCOC(=O)c1cc(C(=O)[O-])co1	ZINC001595704808	982279636	/nfs/dbraw/zinc/27/96/36/982279636.db2.gz	YWOJPJRLJWZSRR-UHFFFAOYSA-N	-1	0	254.282	3.105	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC001599973232	986044779	/nfs/dbraw/zinc/04/47/79/986044779.db2.gz	MRLUZYQSHXVSCW-JTQLQIEISA-N	-1	0	299.282	3.076	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c1	ZINC001597145779	986908070	/nfs/dbraw/zinc/90/80/70/986908070.db2.gz	MMOZXAHBVWYFIK-SREVYHEPSA-N	-1	0	286.283	3.273	20	30		CGEDRM
COc1ccc2c(c1)CC/C(=C/c1ccc(C(=O)[O-])o1)C2=O	ZINC001599625885	994147936	/nfs/dbraw/zinc/14/79/36/994147936.db2.gz	FBVRNFAYXOYPKM-LUAWRHEFSA-N	-1	0	298.294	3.199	20	30		CGEDRM
C[C@H](c1cccc(C#N)c1)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001593699692	996171794	/nfs/dbraw/zinc/17/17/94/996171794.db2.gz	WGDOAIYTNBTWOG-GFCCVEGCSA-N	-1	0	292.338	3.333	20	30		CGEDRM
COc1cc(C)c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC001599390462	997024370	/nfs/dbraw/zinc/02/43/70/997024370.db2.gz	ZUHCJVONFZLRFU-SNAWJCMRSA-N	-1	0	299.326	3.234	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000093101086	345869411	/nfs/dbraw/zinc/86/94/11/345869411.db2.gz	YUOLQOAIYCOCJL-UHFFFAOYSA-N	-1	0	291.351	3.062	20	30		CGEDRM
C=C1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1	ZINC000584724771	346710232	/nfs/dbraw/zinc/71/02/32/346710232.db2.gz	IOHWAUVCGIORIQ-UHFFFAOYSA-N	-1	0	265.740	3.190	20	30		CGEDRM
CC(C)CCc1n[n-]c(=NCc2ccc(C#N)cc2)s1	ZINC000594742003	347215849	/nfs/dbraw/zinc/21/58/49/347215849.db2.gz	INSUFHVOMGRXMQ-UHFFFAOYSA-N	-1	0	286.404	3.032	20	30		CGEDRM
CC(C)(CCC#N)CN=c1[n-]c(-c2ccc(F)cc2)no1	ZINC000599085066	347715817	/nfs/dbraw/zinc/71/58/17/347715817.db2.gz	LAAYTBHGRFCEAK-UHFFFAOYSA-N	-1	0	288.326	3.039	20	30		CGEDRM
C[C@H]1CCC[C@@H](n2[n-]c(-c3cccc(C#N)c3)cc2=O)C1	ZINC000601939356	347926209	/nfs/dbraw/zinc/92/62/09/347926209.db2.gz	NZTNKHKNDFEHOW-SWLSCSKDSA-N	-1	0	281.359	3.073	20	30		CGEDRM
CCc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C	ZINC000601940093	347926984	/nfs/dbraw/zinc/92/69/84/347926984.db2.gz	OHDYVCUXAHLWML-QMMMGPOBSA-N	-1	0	295.264	3.326	20	30		CGEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1sc(C)c(C)c1C#N	ZINC000601979716	347931141	/nfs/dbraw/zinc/93/11/41/347931141.db2.gz	AIRVLHLEYNPTBG-CQSZACIVSA-N	-1	0	294.376	3.066	20	30		CGEDRM
CC(C)c1nc(=N[C@@H]2CCc3cc(C#N)ccc32)s[n-]1	ZINC000618693891	349145570	/nfs/dbraw/zinc/14/55/70/349145570.db2.gz	SMNQGTXQXOVXDA-CYBMUJFWSA-N	-1	0	284.388	3.054	20	30		CGEDRM
C=C(C)CN(C)C(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634907854	351602688	/nfs/dbraw/zinc/60/26/88/351602688.db2.gz	VUINJZYTZUQDCM-MRXNPFEDSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634927576	351605063	/nfs/dbraw/zinc/60/50/63/351605063.db2.gz	SWQQUJPQRBGCCE-KBPBESRZSA-N	-1	0	293.407	3.273	20	30		CGEDRM
N#Cc1ccc(F)c(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC000065350552	303191967	/nfs/dbraw/zinc/19/19/67/303191967.db2.gz	AAHNGOVXVJTUEH-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
C[C@H](C(=O)Nc1cccc(O)c1F)c1cccc(C#N)c1	ZINC000336310032	213152698	/nfs/dbraw/zinc/15/26/98/213152698.db2.gz	NIBGCBXDFZUANO-JTQLQIEISA-N	-1	0	284.290	3.145	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)c(C)c1	ZINC000046929961	260653617	/nfs/dbraw/zinc/65/36/17/260653617.db2.gz	XZMJPDYLUZYYDP-UHFFFAOYSA-N	-1	0	281.377	3.139	20	30		CGEDRM
C=C(C)CN(CC)C(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000035055626	368994317	/nfs/dbraw/zinc/99/43/17/368994317.db2.gz	QPECNXHPKNAPAI-UHFFFAOYSA-N	-1	0	281.396	3.226	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1F	ZINC000051637549	369450330	/nfs/dbraw/zinc/45/03/30/369450330.db2.gz	XCOSSQCTQKELRT-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nccc3ccccc32)n1	ZINC000073087301	369849771	/nfs/dbraw/zinc/84/97/71/369849771.db2.gz	SXDSLIGUCWKASF-ZDUSSCGKSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000429731248	372377335	/nfs/dbraw/zinc/37/73/35/372377335.db2.gz	JWBYOXLTJVTINQ-LLVKDONJSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1ccc(C(C)C)s1)C(=O)[O-]	ZINC000448997701	373652710	/nfs/dbraw/zinc/65/27/10/373652710.db2.gz	VEDQFFXCUGQFOP-SNVBAGLBSA-N	-1	0	281.377	3.021	20	30		CGEDRM
C=CCN=c1[n-]nc(SC[C@@H]2CCC(F)(F)C2)s1	ZINC000450611613	374165653	/nfs/dbraw/zinc/16/56/53/374165653.db2.gz	PSYAVZAJKAVSSD-MRVPVSSYSA-N	-1	0	291.392	3.085	20	30		CGEDRM
CCc1cnccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000183516267	374422941	/nfs/dbraw/zinc/42/29/41/374422941.db2.gz	BHGQJPJEVQACGO-ZDUSSCGKSA-N	-1	0	291.310	3.275	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000192870934	375798454	/nfs/dbraw/zinc/79/84/54/375798454.db2.gz	WUGAVHFLHOSZMU-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000192918283	375802639	/nfs/dbraw/zinc/80/26/39/375802639.db2.gz	UQNSYLJTWLZLFG-CHWSQXEVSA-N	-1	0	289.375	3.491	20	30		CGEDRM
CC(C)c1nocc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000528927925	375915346	/nfs/dbraw/zinc/91/53/46/375915346.db2.gz	MAWQZTRMVZOXJM-SNVBAGLBSA-N	-1	0	295.298	3.429	20	30		CGEDRM
Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1CC#N	ZINC000570399265	377537089	/nfs/dbraw/zinc/53/70/89/377537089.db2.gz	CYDNASZOJXYCNI-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000344082957	378158479	/nfs/dbraw/zinc/15/84/79/378158479.db2.gz	IWSNVDVNCUDYIB-ZDUSSCGKSA-N	-1	0	293.417	3.229	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1	ZINC000345394929	378276109	/nfs/dbraw/zinc/27/61/09/378276109.db2.gz	LGGAKTILKBNQOA-NSHDSACASA-N	-1	0	279.299	3.263	20	30		CGEDRM
N#Cc1ccc(SCc2occc2C(=O)[O-])c(F)c1	ZINC000739131888	572402502	/nfs/dbraw/zinc/40/25/02/572402502.db2.gz	GMUPOQKKVZEXSB-UHFFFAOYSA-N	-1	0	277.276	3.281	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)o1	ZINC000647379750	392712706	/nfs/dbraw/zinc/71/27/06/392712706.db2.gz	KFJYEDUZPNYCLT-JTQLQIEISA-N	-1	0	287.344	3.115	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cs1	ZINC000671768172	543187640	/nfs/dbraw/zinc/18/76/40/543187640.db2.gz	NSYVYFVEUIQIIA-NSHDSACASA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=C(CNC(=O)c1c([O-])cc(F)cc1F)c1ccccc1	ZINC000673343413	543237975	/nfs/dbraw/zinc/23/79/75/543237975.db2.gz	PFEAKGWIPRRWRK-UHFFFAOYSA-N	-1	0	289.281	3.114	20	30		CGEDRM
CC(C)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000037453262	173218994	/nfs/dbraw/zinc/21/89/94/173218994.db2.gz	YIPLGRJBXBEYKA-LLVKDONJSA-N	-1	0	286.253	3.098	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2nccs2)s1	ZINC000684674067	544024690	/nfs/dbraw/zinc/02/46/90/544024690.db2.gz	DTLRLGMVUNBXRY-QMMMGPOBSA-N	-1	0	291.401	3.387	20	30		CGEDRM
Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)c1ccncn1	ZINC000354460699	226998836	/nfs/dbraw/zinc/99/88/36/226998836.db2.gz	FMLMHQWUIXZWIZ-GFCCVEGCSA-N	-1	0	295.273	3.160	20	30		CGEDRM
N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1ccncn1	ZINC000354466160	227003475	/nfs/dbraw/zinc/00/34/75/227003475.db2.gz	KDERRKJCNNAIAB-GFCCVEGCSA-N	-1	0	297.383	3.297	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000659229083	418965281	/nfs/dbraw/zinc/96/52/81/418965281.db2.gz	NYJFFMRHWVKFPQ-GASCZTMLSA-N	-1	0	285.343	3.016	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1cccc(Br)c1[O-]	ZINC000521391473	260094446	/nfs/dbraw/zinc/09/44/46/260094446.db2.gz	ZBTWPRDGUPWUCA-VIFPVBQESA-N	-1	0	298.180	3.239	20	30		CGEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000073087448	260164962	/nfs/dbraw/zinc/16/49/62/260164962.db2.gz	MUAMGTGYKLTYMP-LLVKDONJSA-N	-1	0	295.404	3.113	20	30		CGEDRM
Cc1cc(Cl)cc(C[NH+]2CCC(C)(C#N)CC2)c1O	ZINC000272581843	263007027	/nfs/dbraw/zinc/00/70/27/263007027.db2.gz	YIOQOAUUPPZZGC-UHFFFAOYSA-N	-1	0	278.783	3.480	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2sc(C)nc2C)n1	ZINC000041520887	263286671	/nfs/dbraw/zinc/28/66/71/263286671.db2.gz	GUEKHKOOTWAJFR-SECBINFHSA-N	-1	0	277.374	3.015	20	30		CGEDRM
C=CCC(F)(F)C(=O)N[C@H]1CCc2cc(F)ccc21	ZINC000294384256	265015004	/nfs/dbraw/zinc/01/50/04/265015004.db2.gz	BPGYVAUHYPZEPJ-LBPRGKRZSA-N	-1	0	269.266	3.141	20	30		CGEDRM
Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1	ZINC000357809615	266369119	/nfs/dbraw/zinc/36/91/19/266369119.db2.gz	PPHDDVQDLHQVSE-NSHDSACASA-N	-1	0	281.340	3.125	20	30		CGEDRM
N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1ccccn1	ZINC000121648718	267702752	/nfs/dbraw/zinc/70/27/52/267702752.db2.gz	CHTRZZMZSNAQJE-ZDUSSCGKSA-N	-1	0	289.294	3.227	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000281730856	328506392	/nfs/dbraw/zinc/50/63/92/328506392.db2.gz	OCLZGCHTQYAPBZ-JTQLQIEISA-N	-1	0	276.361	3.201	20	30		CGEDRM
C=C(C)[C@H]1OCC[C@H]1CN=c1nc(C2CCCC2)[n-]s1	ZINC000420621316	329779250	/nfs/dbraw/zinc/77/92/50/329779250.db2.gz	FQFXKZSWNDUCHW-QWHCGFSZSA-N	-1	0	293.436	3.011	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000262835698	330034962	/nfs/dbraw/zinc/03/49/62/330034962.db2.gz	CAWQNCVIKCXGKG-NEPJUHHUSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCC[C@H](NC(=O)C[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262879389	330036056	/nfs/dbraw/zinc/03/60/56/330036056.db2.gz	KJNJAWPUCGJQGS-HIFRSBDPSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCCCCCCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263405328	330054241	/nfs/dbraw/zinc/05/42/41/330054241.db2.gz	SZUWUOUDILYWGS-INIZCTEOSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C=CC(C)(C)CCN=c1[n-]nc(-c2ccccn2)s1	ZINC000528074480	330305494	/nfs/dbraw/zinc/30/54/94/330305494.db2.gz	MFYIPGGOICZFSS-UHFFFAOYSA-N	-1	0	274.393	3.036	20	30		CGEDRM
C=CCCCCNC(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000473695431	331555783	/nfs/dbraw/zinc/55/57/83/331555783.db2.gz	NIWWIWBGHWTERU-UHFFFAOYSA-N	-1	0	296.374	3.043	20	30		CGEDRM
CC(C)n1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000191481550	333220300	/nfs/dbraw/zinc/22/03/00/333220300.db2.gz	WFZGPLLVYLWYSV-GFCCVEGCSA-N	-1	0	294.314	3.095	20	30		CGEDRM
C/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1	ZINC000576187337	335166990	/nfs/dbraw/zinc/16/69/90/335166990.db2.gz	MPTBFYXESQWEHX-GORDUTHDSA-N	-1	0	298.367	3.392	20	30		CGEDRM
COc1cc(C)ccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000548708172	334166736	/nfs/dbraw/zinc/16/67/36/334166736.db2.gz	QVVMSZMTPJQVBH-LBPRGKRZSA-N	-1	0	286.356	3.259	20	30		CGEDRM
C=CC[C@@H](CC)N=c1[n-]nc(-c2ccccc2)s1	ZINC000577114781	335302585	/nfs/dbraw/zinc/30/25/85/335302585.db2.gz	GZRCPKHBUBNAIV-GFCCVEGCSA-N	-1	0	259.378	3.394	20	30		CGEDRM
C=C(C)CN(C)Cc1c(Br)cccc1C(=O)[O-]	ZINC000652430487	500572081	/nfs/dbraw/zinc/57/20/81/500572081.db2.gz	FWIPVVIQBXCZPI-UHFFFAOYSA-N	-1	0	298.180	3.155	20	30		CGEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@H]1C[C@]12CCOC2	ZINC000329654919	534333634	/nfs/dbraw/zinc/33/36/34/534333634.db2.gz	LWQUPBPVTFHBAA-KRTXAFLBSA-N	-1	0	280.374	3.372	20	30		CGEDRM
N#Cc1ccsc1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000111666424	518196831	/nfs/dbraw/zinc/19/68/31/518196831.db2.gz	KZYGTWWRTPLHQN-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
CC(C)c1ncc(/C=C\c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000344010677	528339632	/nfs/dbraw/zinc/33/96/32/528339632.db2.gz	LFLFBSTUNOHPBO-XQRVVYSFSA-N	-1	0	299.355	3.402	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2CCC(C)C)n1	ZINC000727252412	571734320	/nfs/dbraw/zinc/73/43/20/571734320.db2.gz	YJBNWRYPZWBVRF-GFCCVEGCSA-N	-1	0	276.384	3.495	20	30		CGEDRM
CCCNN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727651126	571759432	/nfs/dbraw/zinc/75/94/32/571759432.db2.gz	JGKWGZMXZKHBER-UHFFFAOYSA-N	-1	0	261.152	3.423	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728439201	571805916	/nfs/dbraw/zinc/80/59/16/571805916.db2.gz	XFUJYDZKVGQEGP-GQCTYLIASA-N	-1	0	294.713	3.123	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1cccc(CC(=O)[O-])c1	ZINC000738424771	572374146	/nfs/dbraw/zinc/37/41/46/572374146.db2.gz	DBNPHOKHUVOCAJ-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1cccc(COc2ccc(NC(=O)[O-])cc2)c1	ZINC000738434441	572375336	/nfs/dbraw/zinc/37/53/36/572375336.db2.gz	ZHVASVCKONVYSS-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
N#CCc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1	ZINC000739091957	572402071	/nfs/dbraw/zinc/40/20/71/572402071.db2.gz	ORXGPBOTWGPJOV-HNNXBMFYSA-N	-1	0	284.290	3.130	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)ccc1F	ZINC000739099611	572402076	/nfs/dbraw/zinc/40/20/76/572402076.db2.gz	ZRWQWCNNQHBFRY-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
O=C([O-])N1CCC[C@H](/N=C/c2c(O)ccc3ccccc32)C1	ZINC000739924163	572427025	/nfs/dbraw/zinc/42/70/25/572427025.db2.gz	CMNNEBQQRKOMHR-SGPNVBEDSA-N	-1	0	298.342	3.107	20	30		CGEDRM
O=C([O-])c1ccc(C/N=C\c2c(O)ccc3ccccc32)o1	ZINC000740125513	572433210	/nfs/dbraw/zinc/43/32/10/572433210.db2.gz	ITJSURDSBBXROV-ZDLGFXPLSA-N	-1	0	295.294	3.456	20	30		CGEDRM
O=C([O-])c1ccc2[nH]cc(C=NNc3ccccc3F)c2c1	ZINC000740191203	572435715	/nfs/dbraw/zinc/43/57/15/572435715.db2.gz	UMNOCNPKCXTUBA-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
N#CCc1cccc(C(=O)Nc2ccccc2NC(=O)[O-])c1	ZINC000740310550	572439422	/nfs/dbraw/zinc/43/94/22/572439422.db2.gz	MOWHFBFEMIBLON-UHFFFAOYSA-N	-1	0	295.298	3.095	20	30		CGEDRM
Cc1cc(O)c(C=NNc2ccc(C(=O)[O-])cc2)cc1C	ZINC000741758850	572522770	/nfs/dbraw/zinc/52/27/70/572522770.db2.gz	DTHJVHGZTCOGIP-UHFFFAOYSA-N	-1	0	284.315	3.153	20	30		CGEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1cccc(C#N)c1	ZINC000743501799	572667429	/nfs/dbraw/zinc/66/74/29/572667429.db2.gz	RLDMEIHFXQYSPN-IPHDDYSGSA-N	-1	0	295.298	3.352	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CC=CCC2)c1[O-]	ZINC000735979027	572758878	/nfs/dbraw/zinc/75/88/78/572758878.db2.gz	UNMBSAHOORBQCM-UXYFDLPDSA-N	-1	0	280.711	3.481	20	30		CGEDRM
C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1	ZINC000736096528	572768059	/nfs/dbraw/zinc/76/80/59/572768059.db2.gz	PBBUZOPEGMHPJS-UHFFFAOYSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000736095485	572768076	/nfs/dbraw/zinc/76/80/76/572768076.db2.gz	ZOVIXGRBMJABMG-UHFFFAOYSA-N	-1	0	291.351	3.231	20	30		CGEDRM
Cc1cccc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)c1	ZINC000746676937	572891731	/nfs/dbraw/zinc/89/17/31/572891731.db2.gz	MYEYHGYNFVAZGM-CYBMUJFWSA-N	-1	0	298.342	3.293	20	30		CGEDRM
CC[C@H](CNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000900974108	620822615	/nfs/dbraw/zinc/82/26/15/620822615.db2.gz	KCOYXJOQPXUJDY-SECBINFHSA-N	-1	0	286.253	3.100	20	30		CGEDRM
CCCCCCCC(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000163421794	600122634	/nfs/dbraw/zinc/12/26/34/600122634.db2.gz	FLYWHSGVCFJPCZ-UHFFFAOYSA-N	-1	0	266.341	3.320	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000163141665	600510030	/nfs/dbraw/zinc/51/00/30/600510030.db2.gz	OWHTWYGIMYCJJN-MRVPVSSYSA-N	-1	0	282.727	3.124	20	30		CGEDRM
C#CCOc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1	ZINC000825631722	600747657	/nfs/dbraw/zinc/74/76/57/600747657.db2.gz	KQWVVJWEAQWSOQ-MRXNPFEDSA-N	-1	0	299.301	3.076	20	30		CGEDRM
Cc1cc(C)cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832878449	601297905	/nfs/dbraw/zinc/29/79/05/601297905.db2.gz	DLHNGHMCFZDVGP-INIZCTEOSA-N	-1	0	280.327	3.413	20	30		CGEDRM
N#Cc1cccc([C@H](Nc2ccc3c(c2)CCC3)C(=O)[O-])c1	ZINC000833076472	601298143	/nfs/dbraw/zinc/29/81/43/601298143.db2.gz	VRJAHQIBMKGJQG-KRWDZBQOSA-N	-1	0	292.338	3.285	20	30		CGEDRM
N#Cc1ccnc(SCc2ccsc2C(=O)[O-])c1	ZINC000236483744	601809689	/nfs/dbraw/zinc/80/96/89/601809689.db2.gz	IPVIYPVRDPQGGJ-UHFFFAOYSA-N	-1	0	276.342	3.005	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cc3c(s2)CCC3)c[nH]1	ZINC000833298335	602149603	/nfs/dbraw/zinc/14/96/03/602149603.db2.gz	SFXCEJMOFRIHJG-SNAWJCMRSA-N	-1	0	287.340	3.159	20	30		CGEDRM
O=C([O-])c1ccc(C=CC(=O)c2c[nH]c3ncccc23)cc1	ZINC000761813396	602299630	/nfs/dbraw/zinc/29/96/30/602299630.db2.gz	SQWNTUUYGRJCRP-VMPITWQZSA-N	-1	0	292.294	3.157	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(NCc2cccc(C#N)c2)cc1	ZINC000825448061	603178361	/nfs/dbraw/zinc/17/83/61/603178361.db2.gz	ASCXMVSTNHDIAM-GFCCVEGCSA-N	-1	0	295.342	3.499	20	30		CGEDRM
CC(C)[C@H](C#N)OC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000824057999	603584599	/nfs/dbraw/zinc/58/45/99/603584599.db2.gz	UQVVAVFKZSIYHJ-NSHDSACASA-N	-1	0	296.710	3.135	20	30		CGEDRM
Cc1oc(/C=C2\CCCC(C)(C)C2=O)cc1C(=O)[O-]	ZINC000899363464	620659485	/nfs/dbraw/zinc/65/94/85/620659485.db2.gz	NGQNIJQRAAFTOT-JXMROGBWSA-N	-1	0	262.305	3.449	20	30		CGEDRM
CC(C)(C)C(=O)CSCc1cccc(C(=O)[O-])c1C#N	ZINC000833419371	604552439	/nfs/dbraw/zinc/55/24/39/604552439.db2.gz	SEOUPDPAPWEUAC-UHFFFAOYSA-N	-1	0	291.372	3.105	20	30		CGEDRM
CC(N=Nc1nccnc1Cl)[C@@H](C)CCCCC(=O)[O-]	ZINC000814850373	604640903	/nfs/dbraw/zinc/64/09/03/604640903.db2.gz	LCZSLJKOIRBXOG-VIFPVBQESA-N	-1	0	298.774	3.199	20	30		CGEDRM
COc1ccc(CNc2cccc(NC(=O)[O-])c2)cc1C#N	ZINC000832357412	604644075	/nfs/dbraw/zinc/64/40/75/604644075.db2.gz	QISRAZGAHXQEAV-UHFFFAOYSA-N	-1	0	297.314	3.269	20	30		CGEDRM
CC(C)=CCCC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763370241	604666852	/nfs/dbraw/zinc/66/68/52/604666852.db2.gz	ONANUZVDJJBYNL-UHFFFAOYSA-N	-1	0	261.325	3.314	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cn2)C[C@H]1c1ccccc1	ZINC000763372366	604669086	/nfs/dbraw/zinc/66/90/86/604669086.db2.gz	WURGAMCXOCKVRS-SMDDNHRTSA-N	-1	0	295.342	3.371	20	30		CGEDRM
C#CCCCCC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000833362714	605018626	/nfs/dbraw/zinc/01/86/26/605018626.db2.gz	GRXWIBGUEQEELA-LLVKDONJSA-N	-1	0	278.304	3.084	20	30		CGEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cn1)Cc1ccccc1	ZINC000783864640	605329235	/nfs/dbraw/zinc/32/92/35/605329235.db2.gz	XGJYKKDVLCKFOB-LBPRGKRZSA-N	-1	0	283.331	3.056	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000833362068	605580775	/nfs/dbraw/zinc/58/07/75/605580775.db2.gz	XYGSRVIQRITBDC-UHFFFAOYSA-N	-1	0	277.295	3.046	20	30		CGEDRM
CC(C)CN(CCC#N)Cc1cc(C(=O)[O-])ccc1Cl	ZINC000833488783	605835382	/nfs/dbraw/zinc/83/53/82/605835382.db2.gz	SEMRPKFPSHVKHX-UHFFFAOYSA-N	-1	0	294.782	3.410	20	30		CGEDRM
CCCC(CCC)=NNc1cnnc([O-])c1Cl	ZINC000007030807	617835622	/nfs/dbraw/zinc/83/56/22/617835622.db2.gz	GNTGUJGBRHUXIA-UHFFFAOYSA-N	-1	0	256.737	3.204	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1	ZINC000899854749	620731762	/nfs/dbraw/zinc/73/17/62/620731762.db2.gz	OAYVIPSFWLNESQ-WDEREUQCSA-N	-1	0	293.388	3.253	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501585	617611405	/nfs/dbraw/zinc/61/14/05/617611405.db2.gz	UPCCIJURLIVLFP-UHFFFAOYSA-N	-1	0	293.388	3.306	20	30		CGEDRM
O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513956	617613703	/nfs/dbraw/zinc/61/37/03/617613703.db2.gz	HYJNCOBXNYSFKK-UHFFFAOYSA-N	-1	0	297.420	3.352	20	30		CGEDRM
C=C[C@H](C)ON=C(C)c1ccc(Br)cc1O	ZINC000844621282	617957525	/nfs/dbraw/zinc/95/75/25/617957525.db2.gz	FSYPXNQANRSNAW-QMMMGPOBSA-N	-1	0	284.153	3.470	20	30		CGEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(F)cc1[O-]	ZINC000255414481	618403792	/nfs/dbraw/zinc/40/37/92/618403792.db2.gz	KAJQZPUMWAAGII-KTAJNNJTSA-N	-1	0	276.238	3.272	20	30		CGEDRM
Cc1ccccc1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022768785	618416247	/nfs/dbraw/zinc/41/62/47/618416247.db2.gz	TVJPCAUTNATNNK-GZTJUZNOSA-N	-1	0	284.315	3.270	20	30		CGEDRM
O=C1c2cccc(O)c2C/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000255710154	618779001	/nfs/dbraw/zinc/77/90/01/618779001.db2.gz	FSSJVPQFIIWTRR-WTKPLQERSA-N	-1	0	288.249	3.198	20	30		CGEDRM
CCCC(=CC(=O)[N-]S(=O)(=O)CCC)CCC	ZINC000092702319	619120394	/nfs/dbraw/zinc/12/03/94/619120394.db2.gz	PIFJGDUJBLZLHC-UHFFFAOYSA-N	-1	0	261.387	3.209	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048518120	619502598	/nfs/dbraw/zinc/50/25/98/619502598.db2.gz	DFECCZFTFMJMAS-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048518816	619503327	/nfs/dbraw/zinc/50/33/27/619503327.db2.gz	YIGYSTYUTCZRDR-UHFFFAOYSA-N	-1	0	299.367	3.192	20	30		CGEDRM
N#CC(C(=O)C1CCC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000140487434	619515567	/nfs/dbraw/zinc/51/55/67/619515567.db2.gz	WDSMGCMFCDNCRS-GFCCVEGCSA-N	-1	0	287.384	3.319	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000793072069	619677938	/nfs/dbraw/zinc/67/79/38/619677938.db2.gz	OQZGNJJNRBKTTG-NSHDSACASA-N	-1	0	289.162	3.170	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)c([O-])c1	ZINC000102893837	620309637	/nfs/dbraw/zinc/30/96/37/620309637.db2.gz	MWPXDVWWQPZEOC-UTCJRWHESA-N	-1	0	296.322	3.368	20	30		CGEDRM
CC(C)[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000787141285	620516508	/nfs/dbraw/zinc/51/65/08/620516508.db2.gz	LQCUOWVYOARZLZ-MTTUFYGSSA-N	-1	0	290.241	3.306	20	30		CGEDRM
CC1(C)CCC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000899232741	620629368	/nfs/dbraw/zinc/62/93/68/620629368.db2.gz	UEBGALGPAYOYFZ-WFSQQTBHSA-N	-1	0	292.335	3.067	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC000901785985	621024352	/nfs/dbraw/zinc/02/43/52/621024352.db2.gz	MUUITTCNZDHJEF-HJWRWDBZSA-N	-1	0	291.347	3.196	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000902014410	621100122	/nfs/dbraw/zinc/10/01/22/621100122.db2.gz	FDEAVWQPGWFENB-ZIAGYGMSSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])CC1	ZINC000903891191	621823746	/nfs/dbraw/zinc/82/37/46/621823746.db2.gz	KWJBBOUCQZLAOU-UHFFFAOYSA-N	-1	0	289.253	3.149	20	30		CGEDRM
CC#CC[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-]	ZINC000904059163	621861249	/nfs/dbraw/zinc/86/12/49/621861249.db2.gz	SUYGVOGMMCLDPL-MRXNPFEDSA-N	-1	0	297.354	3.211	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2C[C@H]3CCC[C@@H]3C2)cc1	ZINC000905485642	622081444	/nfs/dbraw/zinc/08/14/44/622081444.db2.gz	WFBOXIDJYVYCFS-CHWSQXEVSA-N	-1	0	272.348	3.292	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000907599067	622303557	/nfs/dbraw/zinc/30/35/57/622303557.db2.gz	VDJOKMGEYYZEJQ-GFCCVEGCSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CC1(CC(=O)NC[C@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC000907703276	622308344	/nfs/dbraw/zinc/30/83/44/622308344.db2.gz	HFXLQSFVDPVVNP-AWEZNQCLSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC000907767352	622311049	/nfs/dbraw/zinc/31/10/49/622311049.db2.gz	OAPRUGADHQEIJG-NSHDSACASA-N	-1	0	291.347	3.324	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC000907767351	622311108	/nfs/dbraw/zinc/31/11/08/622311108.db2.gz	OAPRUGADHQEIJG-LLVKDONJSA-N	-1	0	291.347	3.324	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1	ZINC000909221933	622407507	/nfs/dbraw/zinc/40/75/07/622407507.db2.gz	BFVNYYZXOQYZGN-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1	ZINC000909294726	622413797	/nfs/dbraw/zinc/41/37/97/622413797.db2.gz	MWNWNHCYMFWARO-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000909318363	622416748	/nfs/dbraw/zinc/41/67/48/622416748.db2.gz	KCIBULNADFYEFA-CQSZACIVSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CC1	ZINC000909731798	622420884	/nfs/dbraw/zinc/42/08/84/622420884.db2.gz	ZJVGWUBLGFCFKW-UHFFFAOYSA-N	-1	0	289.331	3.078	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cc2occc2s1)C(=O)[O-]	ZINC000910915799	622508502	/nfs/dbraw/zinc/50/85/02/622508502.db2.gz	AZFIFXWRMIWLGJ-VIFPVBQESA-N	-1	0	293.344	3.034	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000911386902	622531422	/nfs/dbraw/zinc/53/14/22/622531422.db2.gz	KZOVWLNYYMXGRA-INIZCTEOSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)C[C@@H](C)CC(=O)[O-]	ZINC000911401581	622532022	/nfs/dbraw/zinc/53/20/22/622532022.db2.gz	KFCUTMLIZYQUDB-GFCCVEGCSA-N	-1	0	275.348	3.245	20	30		CGEDRM
O=C1c2ccc(F)cc2C/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000157313557	622898791	/nfs/dbraw/zinc/89/87/91/622898791.db2.gz	DSVWFPLGKQQHFD-WDZFZDKYSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000089963584	623465625	/nfs/dbraw/zinc/46/56/25/623465625.db2.gz	HKBQHFZELZPHAU-JYOAFUTRSA-N	-1	0	289.356	3.451	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[C@@H](O)C1	ZINC000915982974	624090292	/nfs/dbraw/zinc/09/02/92/624090292.db2.gz	KZBTWMIRMYRTLQ-UJTZZMAVSA-N	-1	0	288.174	3.421	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2(c3cccc(F)c3)CC2)c1	ZINC000179740783	624681625	/nfs/dbraw/zinc/68/16/25/624681625.db2.gz	ATCAHKLGVRXVKG-UHFFFAOYSA-N	-1	0	296.301	3.073	20	30		CGEDRM
CC(=O)Nc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000184517866	625243147	/nfs/dbraw/zinc/24/31/47/625243147.db2.gz	KFTQWLQQUYYQFT-QPJJXVBHSA-N	-1	0	287.340	3.308	20	30		CGEDRM
COc1c(O)cccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000197217031	625768145	/nfs/dbraw/zinc/76/81/45/625768145.db2.gz	FEUYBTWYXFTWGU-MDZDMXLPSA-N	-1	0	270.284	3.003	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000121329533	626199141	/nfs/dbraw/zinc/19/91/41/626199141.db2.gz	ZVYYURUHWFKIGJ-FNORWQNLSA-N	-1	0	267.259	3.299	20	30		CGEDRM
Oc1ccc(C=NNCc2cccc(Cl)c2)cc1F	ZINC000755770900	626645100	/nfs/dbraw/zinc/64/51/00/626645100.db2.gz	PNBXGFAGJYZTIG-UHFFFAOYSA-N	-1	0	278.714	3.308	20	30		CGEDRM
CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000756226599	626685058	/nfs/dbraw/zinc/68/50/58/626685058.db2.gz	VHFIPNCFHRHUBW-XJKSGUPXSA-N	-1	0	298.386	3.145	20	30		CGEDRM
[O-]c1c(F)cc(C=NNCc2cccc(Cl)c2)cc1F	ZINC000756827894	626735588	/nfs/dbraw/zinc/73/55/88/626735588.db2.gz	SBFFMJVTNLOBCG-UHFFFAOYSA-N	-1	0	296.704	3.448	20	30		CGEDRM
Cc1ccc(C(=O)/C=C2\COc3ccc(F)cc32)c([O-])c1	ZINC000757474459	626781431	/nfs/dbraw/zinc/78/14/31/626781431.db2.gz	BKSYKDAPQPNHPE-YRNVUSSQSA-N	-1	0	284.286	3.498	20	30		CGEDRM
Cc1cccc2ncc(/C=C/C(=O)c3ccccc3[O-])n21	ZINC000757476046	626782152	/nfs/dbraw/zinc/78/21/52/626782152.db2.gz	UUTRJFSFDZVBDV-MDZDMXLPSA-N	-1	0	278.311	3.244	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000757476842	626782186	/nfs/dbraw/zinc/78/21/86/626782186.db2.gz	USVWYPIEDIXHIS-AATRIKPKSA-N	-1	0	294.713	3.123	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccc(F)cc2[O-])c1	ZINC000757475123	626782419	/nfs/dbraw/zinc/78/24/19/626782419.db2.gz	HWQYHSHYMGCUAZ-VMPITWQZSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CC(=NOCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758098858	626826737	/nfs/dbraw/zinc/82/67/37/626826737.db2.gz	WSPVGVTZBZNYBA-UHFFFAOYSA-N	-1	0	286.287	3.241	20	30		CGEDRM
COc1cc2c(cc1/C=C/C(=O)c1ccccc1[O-])OCO2	ZINC000758929164	626867028	/nfs/dbraw/zinc/86/70/28/626867028.db2.gz	BKTQUHYWMOUEQH-VOTSOKGWSA-N	-1	0	298.294	3.026	20	30		CGEDRM
Cn1cnc2cc(/C=C\C(=O)c3cc(F)ccc3[O-])ccc21	ZINC000761206752	627025572	/nfs/dbraw/zinc/02/55/72/627025572.db2.gz	WCDPYNMNTBZQGJ-UTCJRWHESA-N	-1	0	296.301	3.314	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCCc3ccccc32)nc1	ZINC000763367442	627153728	/nfs/dbraw/zinc/15/37/28/627153728.db2.gz	DQERVLOZKITDIJ-ZDUSSCGKSA-N	-1	0	295.342	3.298	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1c[nH]c2cccc(F)c12	ZINC000763359770	627153737	/nfs/dbraw/zinc/15/37/37/627153737.db2.gz	VHKUKMGGLLNSNE-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(OC)c1	ZINC000763367563	627153751	/nfs/dbraw/zinc/15/37/51/627153751.db2.gz	BZDYEYWBTGWJGA-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
N#C[C@@H](CCc1ccccc1)C(=O)[N-]OCc1ccccc1	ZINC000764126887	627196649	/nfs/dbraw/zinc/19/66/49/627196649.db2.gz	XIAXPELTSKFEOR-QGZVFWFLSA-N	-1	0	294.354	3.007	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000764431457	627207032	/nfs/dbraw/zinc/20/70/32/627207032.db2.gz	CVLLYVBBTCNPNO-NSCUHMNNSA-N	-1	0	294.353	3.413	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)o1	ZINC000765824094	627273415	/nfs/dbraw/zinc/27/34/15/627273415.db2.gz	JRAJJMFGHWPZDY-ARJAWSKDSA-N	-1	0	262.286	3.244	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CC[C@@H]1C	ZINC000767384782	627404525	/nfs/dbraw/zinc/40/45/25/627404525.db2.gz	BPHQDOPELYSZQV-VHSXEESVSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC1(C)CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000768268290	627471427	/nfs/dbraw/zinc/47/14/27/627471427.db2.gz	GWSFVQNNACZODS-ZRRZQRFHSA-N	-1	0	262.309	3.298	20	30		CGEDRM
C#CCCN(Cc1cccc(Cl)c1[O-])CC(F)(F)F	ZINC000768533077	627484492	/nfs/dbraw/zinc/48/44/92/627484492.db2.gz	AYBMTQGGLBHGRD-UHFFFAOYSA-N	-1	0	291.700	3.433	20	30		CGEDRM
COc1ccsc1C(C)=NNc1cccc(C(=O)[O-])c1	ZINC000769762862	627576272	/nfs/dbraw/zinc/57/62/72/627576272.db2.gz	LFSRXDVGLVOCFY-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
C[C@@H](Oc1cccc(/C=C/C(=O)c2ccco2)c1)C(=O)[O-]	ZINC000769769858	627576940	/nfs/dbraw/zinc/57/69/40/627576940.db2.gz	DCKXNVKUDBYXJF-WSKFYRRCSA-N	-1	0	286.283	3.028	20	30		CGEDRM
C=CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C(C)C	ZINC000772206684	627773134	/nfs/dbraw/zinc/77/31/34/627773134.db2.gz	GHNOXPIEMMATFJ-UHFFFAOYSA-N	-1	0	271.719	3.221	20	30		CGEDRM
O=C([O-])c1ccc(C=NOCCC(F)(F)F)c(Cl)c1	ZINC000777456254	628272453	/nfs/dbraw/zinc/27/24/53/628272453.db2.gz	VYXCEQCOOSXTFO-UHFFFAOYSA-N	-1	0	295.644	3.341	20	30		CGEDRM
O=C(/C=C\c1ccc(F)nc1)c1cc(F)cc(F)c1[O-]	ZINC000777467621	628274168	/nfs/dbraw/zinc/27/41/68/628274168.db2.gz	NYPFXJYYQHNZDG-IWQZZHSRSA-N	-1	0	279.217	3.101	20	30		CGEDRM
O=C(/C=C/c1ccc(F)nc1)c1cc(F)cc(F)c1[O-]	ZINC000777467619	628274176	/nfs/dbraw/zinc/27/41/76/628274176.db2.gz	NYPFXJYYQHNZDG-HNQUOIGGSA-N	-1	0	279.217	3.101	20	30		CGEDRM
Cc1cccc(-c2cc(C=O)cc(C(=O)[O-])c2)c1C#N	ZINC000874969705	634661343	/nfs/dbraw/zinc/66/13/43/634661343.db2.gz	SJQPYEOXDSUQNC-UHFFFAOYSA-N	-1	0	265.268	3.044	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccccc2)c1	ZINC000782199571	628624313	/nfs/dbraw/zinc/62/43/13/628624313.db2.gz	HXDTYIFXPLIFLM-SREVYHEPSA-N	-1	0	258.298	3.342	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccncc2)c(Cl)c1	ZINC000783697057	628740880	/nfs/dbraw/zinc/74/08/80/628740880.db2.gz	MDUUKSZMEPHYBD-ONEGZZNKSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CC[C@@H]1CCC[C@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000783821003	628749451	/nfs/dbraw/zinc/74/94/51/628749451.db2.gz	JGRCXEOKSUJKHE-ZJUUUORDSA-N	-1	0	282.775	3.450	20	30		CGEDRM
O=c1[n-]c(N=NC2CCC23CCCC3)nc2ccccc21	ZINC000788718477	629076002	/nfs/dbraw/zinc/07/60/02/629076002.db2.gz	SPBKQSJQXGGEAY-UHFFFAOYSA-N	-1	0	282.347	3.458	20	30		CGEDRM
C[C@]1(CN=Nc2ccccc2C(=O)[O-])CCCS1	ZINC000792942521	629396476	/nfs/dbraw/zinc/39/64/76/629396476.db2.gz	UHUWLRUEFMSFSY-CYBMUJFWSA-N	-1	0	264.350	3.068	20	30		CGEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1cccc(Cl)c1F	ZINC000793071839	629407833	/nfs/dbraw/zinc/40/78/33/629407833.db2.gz	HUOOEMFFGIEGGZ-NSHDSACASA-N	-1	0	286.734	3.046	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000119044873	629426781	/nfs/dbraw/zinc/42/67/81/629426781.db2.gz	TWTPRSFCNHYKJD-HWKANZROSA-N	-1	0	273.244	3.098	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000794936453	629602379	/nfs/dbraw/zinc/60/23/79/629602379.db2.gz	AITJMCAXLUNZOF-ARJAWSKDSA-N	-1	0	290.344	3.120	20	30		CGEDRM
CCn1cc(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)cn1	ZINC000794934420	629602484	/nfs/dbraw/zinc/60/24/84/629602484.db2.gz	KMXCBDYAFFSGQA-AATRIKPKSA-N	-1	0	298.342	3.114	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2C[C@H]2C2CC2)c1[O-]	ZINC000797397242	629940809	/nfs/dbraw/zinc/94/08/09/629940809.db2.gz	ACKIGHDMBPPGFD-NTDSITBOSA-N	-1	0	280.711	3.171	20	30		CGEDRM
O=C([O-])[C@@H]1C/C(=C/c2ccc(F)nc2)C(=O)c2ccccc21	ZINC000806559454	630566700	/nfs/dbraw/zinc/56/67/00/630566700.db2.gz	BKXLAJMHEWLFSE-SMJHDNPOSA-N	-1	0	297.285	3.059	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1	ZINC000806558658	630566985	/nfs/dbraw/zinc/56/69/85/630566985.db2.gz	IMWBRNYIAWWCSP-TWGQIWQCSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cc(F)ncc2F)cs1	ZINC000806566438	630567161	/nfs/dbraw/zinc/56/71/61/630567161.db2.gz	GGRRSQWYVHTDTM-UPHRSURJSA-N	-1	0	295.266	3.016	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])nn1	ZINC000806573916	630568260	/nfs/dbraw/zinc/56/82/60/630568260.db2.gz	WPMRJIFGWKZMFB-GQCTYLIASA-N	-1	0	291.738	3.114	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CCCCF)c1[O-]	ZINC000812444290	631261274	/nfs/dbraw/zinc/26/12/74/631261274.db2.gz	BYUPKHNCZHHKBB-VGOFMYFVSA-N	-1	0	274.679	3.122	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CCc2ccccc2C1	ZINC000812446239	631261526	/nfs/dbraw/zinc/26/15/26/631261526.db2.gz	UISCHIFADCGZFX-UHFFFAOYSA-N	-1	0	280.327	3.342	20	30		CGEDRM
O=C([O-])c1ccc(C=NOCCC2CC2)c(Cl)c1	ZINC000814245870	631559941	/nfs/dbraw/zinc/55/99/41/631559941.db2.gz	KYPZDCNSVGAQSL-UHFFFAOYSA-N	-1	0	267.712	3.189	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)CS1	ZINC000814680663	631620310	/nfs/dbraw/zinc/62/03/10/631620310.db2.gz	CENOUBGMWKTILO-CYBMUJFWSA-N	-1	0	278.377	3.314	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCCC23CCCC3)n1	ZINC000814681638	631621507	/nfs/dbraw/zinc/62/15/07/631621507.db2.gz	VVJRQPSSSZCQRM-UHFFFAOYSA-N	-1	0	260.341	3.003	20	30		CGEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cn1	ZINC000814688019	631624307	/nfs/dbraw/zinc/62/43/07/631624307.db2.gz	ZWUPSQPFAPUPRH-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
O=C([O-])C1(c2ccccc2)CC(=NOCc2ccccc2)C1	ZINC000814791366	631639394	/nfs/dbraw/zinc/63/93/94/631639394.db2.gz	FFBOIMPEWRUFAR-UHFFFAOYSA-N	-1	0	295.338	3.376	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(C#N)cc1	ZINC000814802923	631642550	/nfs/dbraw/zinc/64/25/50/631642550.db2.gz	CJEOVQNGETWCOE-UHFFFAOYSA-N	-1	0	293.326	3.319	20	30		CGEDRM
CC(N=Nc1ncccc1Cl)c1csc(C(=O)[O-])c1	ZINC000814810686	631646106	/nfs/dbraw/zinc/64/61/06/631646106.db2.gz	STVKGZOTAYSTJS-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccc(F)cn2)c1Cl	ZINC000814842547	631653785	/nfs/dbraw/zinc/65/37/85/631653785.db2.gz	LGCONYDTZFFPAO-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
CCC(CC)NN=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814851580	631655780	/nfs/dbraw/zinc/65/57/80/631655780.db2.gz	PXICMSBGTKZPHX-LBPRGKRZSA-N	-1	0	292.379	3.041	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(F)c1F	ZINC000814859401	631657446	/nfs/dbraw/zinc/65/74/46/631657446.db2.gz	QRQRGOWIOVWSDG-UHFFFAOYSA-N	-1	0	282.290	3.398	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cc(F)c(F)c(F)c2)c1	ZINC000814864248	631658676	/nfs/dbraw/zinc/65/86/76/631658676.db2.gz	WKMOJLGNBLSQJR-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
C[C@@H]1CC(=NNCc2cccc(Cl)c2)CC[C@H]1C(=O)[O-]	ZINC000814867556	631659317	/nfs/dbraw/zinc/65/93/17/631659317.db2.gz	JTDTYJZRBUDZRW-QMTHXVAHSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CC(=NOCC(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814879361	631662265	/nfs/dbraw/zinc/66/22/65/631662265.db2.gz	CERGNIQIVNTDCP-BDAKNGLRSA-N	-1	0	281.274	3.078	20	30		CGEDRM
CC(=NO[C@H]1CCCCO1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814887074	631665860	/nfs/dbraw/zinc/66/58/60/631665860.db2.gz	HGUHHRAMCJYSEK-DYEKYZERSA-N	-1	0	283.368	3.043	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)CC(F)(F)F	ZINC000814886710	631666059	/nfs/dbraw/zinc/66/60/59/631666059.db2.gz	HPCZSUMFAUGNLZ-UHFFFAOYSA-N	-1	0	290.241	3.134	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NN[C@@H]1CCCCC1(C)C	ZINC000814916704	631680239	/nfs/dbraw/zinc/68/02/39/631680239.db2.gz	CSBCDRUQLZKPMU-YRGRVCCFSA-N	-1	0	280.412	3.422	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000814923176	631684050	/nfs/dbraw/zinc/68/40/50/631684050.db2.gz	AMGSLHLXOZFCBM-FZMZJTMJSA-N	-1	0	291.347	3.089	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H](C)C(C)(C)C	ZINC000814937313	631691418	/nfs/dbraw/zinc/69/14/18/631691418.db2.gz	BQXPVYHATXIDQN-NSHDSACASA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC(=NOCC1CC1)c1cccc(OCCCC(=O)[O-])c1	ZINC000814940996	631693588	/nfs/dbraw/zinc/69/35/88/631693588.db2.gz	KXBCGKGMFRQIHQ-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
CC(=NNc1ccc(F)c(F)c1F)c1ccc(C(=O)[O-])o1	ZINC000814946846	631697294	/nfs/dbraw/zinc/69/72/94/631697294.db2.gz	YWPZGLPXUKKAQO-UHFFFAOYSA-N	-1	0	298.220	3.231	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CC2	ZINC000817713403	632205307	/nfs/dbraw/zinc/20/53/07/632205307.db2.gz	CTMMLAZQCJCDFS-STQMWFEESA-N	-1	0	292.338	3.168	20	30		CGEDRM
CCCCCC(C)=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000818269825	632303573	/nfs/dbraw/zinc/30/35/73/632303573.db2.gz	KUPVXYWXJKEBEZ-UHFFFAOYSA-N	-1	0	289.404	3.490	20	30		CGEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])C(F)=C3CCC3)nc21	ZINC000820086351	632569640	/nfs/dbraw/zinc/56/96/40/632569640.db2.gz	ZUBOLUKPUIBDDG-NSHDSACASA-N	-1	0	283.306	3.455	20	30		CGEDRM
C#CCN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC000830154336	633833353	/nfs/dbraw/zinc/83/33/53/633833353.db2.gz	DNKGFEHOIJZYAA-UHFFFAOYSA-N	-1	0	286.158	3.183	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2CCC3(CC3)CC2)c1	ZINC000831271748	633934860	/nfs/dbraw/zinc/93/48/60/633934860.db2.gz	LPSINKLCFNHUJM-UHFFFAOYSA-N	-1	0	270.332	3.173	20	30		CGEDRM
O=C([O-])c1cc(NNC=C2CC2(F)F)ccc1Cl	ZINC000834915487	634286060	/nfs/dbraw/zinc/28/60/60/634286060.db2.gz	KFECRUVQQHXUIN-LURJTMIESA-N	-1	0	274.654	3.091	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCCC[C@@H]1C	ZINC000834966242	634296804	/nfs/dbraw/zinc/29/68/04/634296804.db2.gz	FNZRYSDMGDEFQZ-GXFFZTMASA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(C)C1CC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835008523	634312538	/nfs/dbraw/zinc/31/25/38/634312538.db2.gz	KORORTHEBGAUJY-UHFFFAOYSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC(CC(F)(F)F)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009103	634313748	/nfs/dbraw/zinc/31/37/48/634313748.db2.gz	NTAQZSOWOIPLRP-UHFFFAOYSA-N	-1	0	278.205	3.264	20	30		CGEDRM
CC[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009579	634314506	/nfs/dbraw/zinc/31/45/06/634314506.db2.gz	VVHGRWZODJYZOW-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@H]1C[C@H]1C	ZINC000841640111	635206256	/nfs/dbraw/zinc/20/62/56/635206256.db2.gz	DAXOHPDWPVCABI-SCZZXKLOSA-N	-1	0	264.300	3.358	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nc1	ZINC000842942381	635521805	/nfs/dbraw/zinc/52/18/05/635521805.db2.gz	XYYMQALFMYTIDW-LLVKDONJSA-N	-1	0	283.356	3.214	20	30		CGEDRM
C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(F)F	ZINC000843266960	635628537	/nfs/dbraw/zinc/62/85/37/635628537.db2.gz	QXGCHXMPGNNPOV-BQNBSLLUSA-N	-1	0	272.251	3.011	20	30		CGEDRM
CC1=C(C)C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000843841674	635787584	/nfs/dbraw/zinc/78/75/84/635787584.db2.gz	ASYHUFUXCMZAKH-ZDUSSCGKSA-N	-1	0	270.332	3.339	20	30		CGEDRM
Cc1c(N=NC[C@@H](C)CCC#N)cccc1C(=O)[O-]	ZINC000844622487	635944787	/nfs/dbraw/zinc/94/47/87/635944787.db2.gz	DKLCXUNWIRQDSY-JTQLQIEISA-N	-1	0	259.309	3.031	20	30		CGEDRM
Cc1c(N=NC2CCC[C@H](C#N)C2)cccc1C(=O)[O-]	ZINC000844622547	635944830	/nfs/dbraw/zinc/94/48/30/635944830.db2.gz	FTSTXLYEUYKHKJ-NSHDSACASA-N	-1	0	271.320	3.175	20	30		CGEDRM
COCCC(N=Nc1cccc(C(=O)[O-])c1C)C(C)C	ZINC000844622894	635944982	/nfs/dbraw/zinc/94/49/82/635944982.db2.gz	FEXYQRCQUDSQCM-UHFFFAOYSA-N	-1	0	278.352	3.154	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](c1ccc(F)cc1)C(C)C	ZINC000846546822	636198158	/nfs/dbraw/zinc/19/81/58/636198158.db2.gz	GOCDJJOYXKOBTQ-RISCZKNCSA-N	-1	0	265.328	3.188	20	30		CGEDRM
C[C@]12C[C@H]1CCCC2N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414100	636570544	/nfs/dbraw/zinc/57/05/44/636570544.db2.gz	JCJROEAWQRDWST-WBMJQRKESA-N	-1	0	272.348	3.292	20	30		CGEDRM
CSCC1(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000849169636	636762276	/nfs/dbraw/zinc/76/22/76/636762276.db2.gz	FHNGCLKKGHRQCW-OQLLNIDSSA-N	-1	0	294.376	3.253	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000849245844	636778770	/nfs/dbraw/zinc/77/87/70/636778770.db2.gz	VDEJMGJLNZSOGO-ALCCZGGFSA-N	-1	0	286.306	3.038	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2ccccc2C(=O)[O-])CC1	ZINC000884404829	637020265	/nfs/dbraw/zinc/02/02/65/637020265.db2.gz	YAQIEQKZMYNSLN-LBPRGKRZSA-N	-1	0	276.336	3.132	20	30		CGEDRM
CC1(C)[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(F)F	ZINC000852997747	637727615	/nfs/dbraw/zinc/72/76/15/637727615.db2.gz	BPQOPZRVNDVFLV-OHUUDMDPSA-N	-1	0	284.262	3.011	20	30		CGEDRM
O=c1[n-]c(N=NC2CCCSCC2)nc2ccccc21	ZINC000853317323	637808284	/nfs/dbraw/zinc/80/82/84/637808284.db2.gz	VQQBHYWXQXRXMP-UHFFFAOYSA-N	-1	0	288.376	3.020	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccnc(Cl)c2)CC[C@H]1C(=O)[O-]	ZINC000853394865	637834004	/nfs/dbraw/zinc/83/40/04/637834004.db2.gz	BFXKOWWMUHTVDC-LDYMZIIASA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccc(F)cc2F)CCC1	ZINC000856034043	638288789	/nfs/dbraw/zinc/28/87/89/638288789.db2.gz	DZIBVCSCDWGFDN-UHFFFAOYSA-N	-1	0	281.302	3.010	20	30		CGEDRM
CC1(C(=O)Nc2cc(C#N)ccc2[O-])CCC(F)(F)CC1	ZINC000860445517	639349409	/nfs/dbraw/zinc/34/94/09/639349409.db2.gz	VOSCLFXMEUYANQ-UHFFFAOYSA-N	-1	0	294.301	3.418	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1	ZINC000935107713	639750292	/nfs/dbraw/zinc/75/02/92/639750292.db2.gz	KEVVOVOMLZKPKZ-CLLJXQQHSA-N	-1	0	270.332	3.029	20	30		CGEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1	ZINC000042248476	639913507	/nfs/dbraw/zinc/91/35/07/639913507.db2.gz	MZUHAKFJMVWDRO-UHFFFAOYSA-N	-1	0	299.392	3.167	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC=CCC1	ZINC000046708992	639998313	/nfs/dbraw/zinc/99/83/13/639998313.db2.gz	QRFRCJNDVMDUOB-SNVBAGLBSA-N	-1	0	299.779	3.342	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000080667462	640496692	/nfs/dbraw/zinc/49/66/92/640496692.db2.gz	SPHIZSNURWSIIN-SNVBAGLBSA-N	-1	0	287.356	3.216	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c(F)c1	ZINC000080667384	640496874	/nfs/dbraw/zinc/49/68/74/640496874.db2.gz	UHWMZUWGDSGDJG-UHFFFAOYSA-N	-1	0	287.356	3.216	20	30		CGEDRM
Cc1ccsc1C=NNc1cccc(C(=O)[O-])c1	ZINC000254512130	640912801	/nfs/dbraw/zinc/91/28/01/640912801.db2.gz	HEENLJYXDYUHAF-UHFFFAOYSA-N	-1	0	260.318	3.201	20	30		CGEDRM
N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccs1	ZINC001250923440	805801351	/nfs/dbraw/zinc/80/13/51/805801351.db2.gz	YFDLEBIAJQLCDC-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCC[C@@H](O)CNc1cc(Cl)ccc1[S-]	ZINC001252606040	806084372	/nfs/dbraw/zinc/08/43/72/806084372.db2.gz	VHRYNVWNYBJCKU-SNVBAGLBSA-N	-1	0	257.786	3.368	20	30		CGEDRM
N#CC1(Nc2cc(Br)cc(C(=O)[O-])c2)CCC1	ZINC001162316068	806553362	/nfs/dbraw/zinc/55/33/62/806553362.db2.gz	WSLYXACWFSGPEL-UHFFFAOYSA-N	-1	0	295.136	3.005	20	30		CGEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1	ZINC000038369588	798887314	/nfs/dbraw/zinc/88/73/14/798887314.db2.gz	FDCOYUYUUHCCCE-SOFGYWHQSA-N	-1	0	275.304	3.463	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1	ZINC000255842489	799173209	/nfs/dbraw/zinc/17/32/09/799173209.db2.gz	UYMSXQDOLLHRBD-ALCCZGGFSA-N	-1	0	267.259	3.299	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])nc2)cc1Cl	ZINC000302649062	799207392	/nfs/dbraw/zinc/20/73/92/799207392.db2.gz	HECHAVWICLMANL-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#CCc1cccc(Nc2c(F)cc(C(=O)[O-])cc2F)c1	ZINC000313445288	799231879	/nfs/dbraw/zinc/23/18/79/799231879.db2.gz	JXTITUVLGTUUCK-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC000397034897	799513929	/nfs/dbraw/zinc/51/39/29/799513929.db2.gz	NAQZMWVAAYZJNU-KGLIPLIRSA-N	-1	0	283.412	3.449	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccco1)c1cnc2ccccc2n1	ZINC000588587463	799717965	/nfs/dbraw/zinc/71/79/65/799717965.db2.gz	QWURGQIWYBEDJK-MEJMFZKBSA-N	-1	0	289.294	3.112	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000710539517	800035554	/nfs/dbraw/zinc/03/55/54/800035554.db2.gz	USTPFONFIQGAHP-KBPBESRZSA-N	-1	0	283.412	3.306	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccccc2C(=O)[O-])c1	ZINC000718567195	800217014	/nfs/dbraw/zinc/21/70/14/800217014.db2.gz	PZSXNOUTYFNQAD-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
CCCCCCc1nnc(-c2ccc([O-])c(C#N)c2)o1	ZINC001256396221	806881052	/nfs/dbraw/zinc/88/10/52/806881052.db2.gz	YWBVCSMQAAOZOI-UHFFFAOYSA-N	-1	0	271.320	3.437	20	30		CGEDRM
CC(=NN[C@@H]1CCCSC1)[C@@H](C)CCCCC(=O)[O-]	ZINC001119362736	802654694	/nfs/dbraw/zinc/65/46/94/802654694.db2.gz	IDCCXZCAHHVAOV-WCQYABFASA-N	-1	0	286.441	3.129	20	30		CGEDRM
CCCc1ncc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001122631777	802877679	/nfs/dbraw/zinc/87/76/79/802877679.db2.gz	JSWPHKNAVYCVBY-VIFPVBQESA-N	-1	0	289.335	3.120	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cc(F)c([O-])c(F)c1	ZINC001244095038	803183143	/nfs/dbraw/zinc/18/31/43/803183143.db2.gz	ACDVOGXXRDPEMV-UHFFFAOYSA-N	-1	0	275.254	3.412	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(CC#N)c(C)c2)c1	ZINC001244171440	803222109	/nfs/dbraw/zinc/22/21/09/803222109.db2.gz	KIOCZNPYCARRAY-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
N#Cc1cc(-c2cc(C(=O)[O-])c(Cl)cc2F)cnc1F	ZINC001244613880	803465173	/nfs/dbraw/zinc/46/51/73/803465173.db2.gz	PFFSSXJQZOERIJ-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
Cc1nccc(-c2ccc(Cl)c([O-])c2F)c1C#N	ZINC001244633563	803476228	/nfs/dbraw/zinc/47/62/28/803476228.db2.gz	BJLZVTWOMGFQTA-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1nc2c(cccc2-c2cnc(F)c(C(=O)[O-])c2)s1	ZINC001244754261	803519905	/nfs/dbraw/zinc/51/99/05/803519905.db2.gz	CGESELLVFTWSLQ-UHFFFAOYSA-N	-1	0	299.286	3.067	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cc(Cl)ccc2[O-])n1	ZINC001245049367	803622004	/nfs/dbraw/zinc/62/20/04/803622004.db2.gz	OBOFPTKFACNQOX-UHFFFAOYSA-N	-1	0	276.723	3.376	20	30		CGEDRM
CCc1nnc(-c2ccc([O-])cc2Cl)c(C#N)c1CC	ZINC001245079939	803635706	/nfs/dbraw/zinc/63/57/06/803635706.db2.gz	SIGDVKHZYRNJRC-UHFFFAOYSA-N	-1	0	287.750	3.499	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2C)cc1CC#N	ZINC001245301157	803695622	/nfs/dbraw/zinc/69/56/22/803695622.db2.gz	NGOKFYOQNILXKU-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cccc(/C=N/O)c1	ZINC001245301213	803695705	/nfs/dbraw/zinc/69/57/05/803695705.db2.gz	UKIOTYBXNKPFKB-CXUHLZMHSA-N	-1	0	255.273	3.168	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245373364	803718575	/nfs/dbraw/zinc/71/85/75/803718575.db2.gz	ZYKYRXFIPPVFOH-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1ccnc(-c2cc(Cl)c([O-])cc2F)c1F	ZINC001245667628	803895789	/nfs/dbraw/zinc/89/57/89/803895789.db2.gz	KYAVYHIQPKJFGX-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1cc(Cl)c([O-])cc1F	ZINC001245669705	803897506	/nfs/dbraw/zinc/89/75/06/803897506.db2.gz	VSHOLEQXSRATSL-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
COc1ccc(C#N)c(-c2cc(Cl)c([O-])cc2F)n1	ZINC001245673113	803902325	/nfs/dbraw/zinc/90/23/25/803902325.db2.gz	CDVNJVGZTANZHV-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccc(F)cc3)[n-]2)c1	ZINC001245937259	804067173	/nfs/dbraw/zinc/06/71/73/804067173.db2.gz	JZJGQNZLTJKCOC-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#CCC[N@@H+](Cc1ccccc1C(=O)[O-])C1CCCC1	ZINC001140506554	804448216	/nfs/dbraw/zinc/44/82/16/804448216.db2.gz	SHEPJVFNOSDOCI-UHFFFAOYSA-N	-1	0	272.348	3.043	20	30		CGEDRM
C=CCCCNC(=S)Nc1ccc([S-])cc1	ZINC001247755369	804818231	/nfs/dbraw/zinc/81/82/31/804818231.db2.gz	UGLTUGYFAKTPPG-UHFFFAOYSA-N	-1	0	252.408	3.228	20	30		CGEDRM
N#Cc1cc(-c2nnc(CC3CCCCC3)o2)ccc1[O-]	ZINC001257076864	807043670	/nfs/dbraw/zinc/04/36/70/807043670.db2.gz	UZSKUMODZCAVAU-UHFFFAOYSA-N	-1	0	283.331	3.437	20	30		CGEDRM
CC(C)(S)CNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001148813769	805210677	/nfs/dbraw/zinc/21/06/77/805210677.db2.gz	GWPWXNYTQMAAPK-UHFFFAOYSA-N	-1	0	294.203	3.137	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2scc([O-])c2C#N)c1	ZINC001249896378	805286682	/nfs/dbraw/zinc/28/66/82/805286682.db2.gz	DIFBDUUBGPRRGY-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
COc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1C#N	ZINC001249963658	805331181	/nfs/dbraw/zinc/33/11/81/805331181.db2.gz	RGOIEMWSVCBPPJ-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1ccccc1Cc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001250046132	805385388	/nfs/dbraw/zinc/38/53/88/805385388.db2.gz	ORPJKGVDUQCWCP-UHFFFAOYSA-N	-1	0	277.323	3.265	20	30		CGEDRM
N#Cc1ccc(Cc2ccc(C(=O)[O-])c(F)c2F)cc1	ZINC001250054131	805392527	/nfs/dbraw/zinc/39/25/27/805392527.db2.gz	CQSJVKIBEHGTTJ-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)ccc([O-])c2Cl)cn1	ZINC001250228841	805505258	/nfs/dbraw/zinc/50/52/58/805505258.db2.gz	NAFXDTMZBCZCHC-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
CCCCCCCCC[C@H](C)N[C@H]1SC(=O)[N-]C1=O	ZINC001258229569	807377795	/nfs/dbraw/zinc/37/77/95/807377795.db2.gz	OZWHUPGYVDFJGO-AAEUAGOBSA-N	-1	0	286.441	3.414	20	30		CGEDRM
CCCCCCC[C@@H](CC(C)C)NCS(=O)(=O)[O-]	ZINC001258715895	807566676	/nfs/dbraw/zinc/56/66/76/807566676.db2.gz	NNYKLHLPMGFSNX-ZDUSSCGKSA-N	-1	0	279.446	3.197	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2sccc2C#N)cc1C	ZINC001259162358	807675191	/nfs/dbraw/zinc/67/51/91/807675191.db2.gz	QKSDCAVJIYSFTQ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1cc(Nc2ccc(CO)c(Cl)c2)c([O-])cc1F	ZINC001212893487	815178778	/nfs/dbraw/zinc/17/87/78/815178778.db2.gz	GWXLYVSXGZVKTM-UHFFFAOYSA-N	-1	0	292.697	3.292	20	30		CGEDRM
COc1ccc(Nc2scc([O-])c2C#N)cc1OC	ZINC001173886114	808740892	/nfs/dbraw/zinc/74/08/92/808740892.db2.gz	XBNJNWKUNROFHE-UHFFFAOYSA-N	-1	0	276.317	3.086	20	30		CGEDRM
CC(=O)Nc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001173977461	808800631	/nfs/dbraw/zinc/80/06/31/808800631.db2.gz	RKUMISOXFYJRMI-UHFFFAOYSA-N	-1	0	285.278	3.105	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001174687616	809131320	/nfs/dbraw/zinc/13/13/20/809131320.db2.gz	ZNYXCQGPTRPVOD-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
C=C(C)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1	ZINC001174793697	809164980	/nfs/dbraw/zinc/16/49/80/809164980.db2.gz	KZKQUWRYBZGHDK-UHFFFAOYSA-N	-1	0	263.318	3.032	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)c(C#N)c1	ZINC001174807019	809167449	/nfs/dbraw/zinc/16/74/49/809167449.db2.gz	HAJZWSGBNJKKRG-UHFFFAOYSA-N	-1	0	286.312	3.264	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174808105	809168096	/nfs/dbraw/zinc/16/80/96/809168096.db2.gz	RZGPZTOMRNCQHU-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#CCc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1F	ZINC001174955245	809214162	/nfs/dbraw/zinc/21/41/62/809214162.db2.gz	WASJJIFMWXFUJT-UHFFFAOYSA-N	-1	0	284.290	3.262	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(F)cc1F	ZINC001175083824	809263281	/nfs/dbraw/zinc/26/32/81/809263281.db2.gz	CLPANGWPTNNMPZ-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccc(C(=O)[O-])c(F)c2)c1F	ZINC001175158528	809292189	/nfs/dbraw/zinc/29/21/89/809292189.db2.gz	SKCDIUNHIPDJGD-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175162292	809294472	/nfs/dbraw/zinc/29/44/72/809294472.db2.gz	RILLPSGOHUXHCE-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cncc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001175314227	809351311	/nfs/dbraw/zinc/35/13/11/809351311.db2.gz	QZTYYSONDAJHOE-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1cccc(C(=O)[O-])c1	ZINC001175327637	809355670	/nfs/dbraw/zinc/35/56/70/809355670.db2.gz	RVYFPSIWVVRAMC-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
Cc1cc(C#N)c(F)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175330585	809358613	/nfs/dbraw/zinc/35/86/13/809358613.db2.gz	GQLUIFHZZFYNQG-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cc(Nc2cccc(C(=O)[O-])c2)ccc1C#N	ZINC001175332869	809359734	/nfs/dbraw/zinc/35/97/34/809359734.db2.gz	ZAXQZTRKYCJOOP-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cc(Nc2cccc(C(=O)[O-])c2)cc(F)c1F	ZINC001175331848	809360045	/nfs/dbraw/zinc/36/00/45/809360045.db2.gz	YOCYHDQNWOTHFA-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
CC1(C)CCCN(C(=O)c2ccc(Cl)c([O-])c2)[C@H]1C#N	ZINC001297504048	809519343	/nfs/dbraw/zinc/51/93/43/809519343.db2.gz	XSAXHVAACJVGPB-ZDUSSCGKSA-N	-1	0	292.766	3.200	20	30		CGEDRM
Cc1oc(Nc2csc(C(=O)[O-])c2)c(C#N)c1C	ZINC001176434711	809695736	/nfs/dbraw/zinc/69/57/36/809695736.db2.gz	AOTAJDPMWBOYEJ-UHFFFAOYSA-N	-1	0	262.290	3.271	20	30		CGEDRM
Cc1cc(Nc2csc(C(=O)[O-])c2)ccc1C#N	ZINC001176440772	809699324	/nfs/dbraw/zinc/69/93/24/809699324.db2.gz	MWSPRVBFFSTWKW-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc(C(=O)[O-])cc1	ZINC001176713711	809747800	/nfs/dbraw/zinc/74/78/00/809747800.db2.gz	MNKWXGUWCWWKHW-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213627909	815313782	/nfs/dbraw/zinc/31/37/82/815313782.db2.gz	SAJIRMZZOKTITG-UHFFFAOYSA-N	-1	0	266.300	3.319	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2c([O-])cccc2F)c(Cl)c1	ZINC001179655183	809935117	/nfs/dbraw/zinc/93/51/17/809935117.db2.gz	FCMTXGPUQAAVJU-UHFFFAOYSA-N	-1	0	289.693	3.418	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)Cc1ccc([S-])cc1	ZINC001183190684	810139606	/nfs/dbraw/zinc/13/96/06/810139606.db2.gz	XFIWXCJTYALAJW-UHFFFAOYSA-N	-1	0	275.348	3.331	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H]1CCCc2ccccc21	ZINC001184240477	810184411	/nfs/dbraw/zinc/18/44/11/810184411.db2.gz	FDDSXRYSMFVROF-QGZVFWFLSA-N	-1	0	294.374	3.230	20	30		CGEDRM
CCCCN(O)C(=O)[C@@H](C)c1c(F)cccc1F	ZINC001184314714	810190660	/nfs/dbraw/zinc/19/06/60/810190660.db2.gz	HTRGOLMZASAOSX-VIFPVBQESA-N	-1	0	257.280	3.086	20	30		CGEDRM
CCCCN(O)C(=O)Cc1ccc2c(c1)CCCC2	ZINC001184314591	810190748	/nfs/dbraw/zinc/19/07/48/810190748.db2.gz	BHONZIMPLCUPQX-UHFFFAOYSA-N	-1	0	261.365	3.126	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2cccc([S-])c2)s1	ZINC001186130711	810315376	/nfs/dbraw/zinc/31/53/76/810315376.db2.gz	XGUPEGUHWSHLNK-UHFFFAOYSA-N	-1	0	274.370	3.469	20	30		CGEDRM
N#Cc1c2ccccc2sc1NC(=O)c1ccncc1[O-]	ZINC001188628962	810495128	/nfs/dbraw/zinc/49/51/28/810495128.db2.gz	SLQCGYQAJNKNAG-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cc([C@H](C)CCC)no2)CC1	ZINC001190766233	810646864	/nfs/dbraw/zinc/64/68/64/810646864.db2.gz	OTTNDISQFLIQLJ-LLVKDONJSA-N	-1	0	298.408	3.429	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccccc1C#N	ZINC001214273806	815393001	/nfs/dbraw/zinc/39/30/01/815393001.db2.gz	RTOQRXFQVPUVNJ-UHFFFAOYSA-N	-1	0	282.299	3.399	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2c([O-])ccc(F)c2F)s1	ZINC001192730254	810818468	/nfs/dbraw/zinc/81/84/68/810818468.db2.gz	RSQJQPAUPKDHKX-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
Cc1cccc(C)c1S(=O)(=O)[N-]c1ccsc1C#N	ZINC001194609933	811095736	/nfs/dbraw/zinc/09/57/36/811095736.db2.gz	QVBPDYBGHYREON-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=CCN(C(=S)Nc1ccc(C(=O)[O-])cc1)C(C)(C)C	ZINC001197105806	811397925	/nfs/dbraw/zinc/39/79/25/811397925.db2.gz	VRXCNLNWILEATO-UHFFFAOYSA-N	-1	0	292.404	3.368	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])c(Cl)cc2F)cn1	ZINC001214743401	815447232	/nfs/dbraw/zinc/44/72/32/815447232.db2.gz	VYOXEJWEDPZVSD-UHFFFAOYSA-N	-1	0	290.681	3.297	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201229148	811800843	/nfs/dbraw/zinc/80/08/43/811800843.db2.gz	DXBCLVDAPMYDFK-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
CCOc1ccccc1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001202148394	812023942	/nfs/dbraw/zinc/02/39/42/812023942.db2.gz	VIPGCXIYXMHLHV-UHFFFAOYSA-N	-1	0	297.314	3.307	20	30		CGEDRM
C=CCNC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC001202570247	812125232	/nfs/dbraw/zinc/12/52/32/812125232.db2.gz	MQMKICVPGNHVHO-UHFFFAOYSA-N	-1	0	261.108	3.007	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203299809	812301328	/nfs/dbraw/zinc/30/13/28/812301328.db2.gz	YFHSRWBUHPRVOX-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1F	ZINC001203299142	812301795	/nfs/dbraw/zinc/30/17/95/812301795.db2.gz	HVRAXBKXDSJNEC-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
Cc1oc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1C	ZINC001203318086	812308212	/nfs/dbraw/zinc/30/82/12/812308212.db2.gz	ANCQVRNMYNYOIL-UHFFFAOYSA-N	-1	0	292.241	3.488	20	30		CGEDRM
N#Cc1cccc(Nc2cc(F)c([O-])cc2F)c1F	ZINC001215571873	815536981	/nfs/dbraw/zinc/53/69/81/815536981.db2.gz	OLNMQCPXNCHSGH-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2ccsc2C(=O)[O-])[nH]1	ZINC001205578819	813011394	/nfs/dbraw/zinc/01/13/94/813011394.db2.gz	GLEMLJMBSYHZPW-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
N#CCOc1ccccc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206038541	813176822	/nfs/dbraw/zinc/17/68/22/813176822.db2.gz	DWFZFBHYUXYUML-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
O=C([O-])c1cc(-c2cc(/C=N/O)ccc2F)cc(F)c1F	ZINC001206051205	813182164	/nfs/dbraw/zinc/18/21/64/813182164.db2.gz	GVNBNZJDEKUUNR-NGYBGAFCSA-N	-1	0	295.216	3.277	20	30		CGEDRM
COc1ccc(-c2csc(C(=O)[O-])c2)c(CC#N)c1	ZINC001206283565	813270031	/nfs/dbraw/zinc/27/00/31/813270031.db2.gz	AQGVCCDBNPXELK-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1csc(C(=O)[O-])c1	ZINC001206278902	813270142	/nfs/dbraw/zinc/27/01/42/813270142.db2.gz	MAOYSZZEFGHPFM-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889389	814189610	/nfs/dbraw/zinc/18/96/10/814189610.db2.gz	MGEILWINEQKUHP-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC001209903330	814195539	/nfs/dbraw/zinc/19/55/39/814195539.db2.gz	RWOAKWDUTSSFJN-UHFFFAOYSA-N	-1	0	297.310	3.149	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)c(F)c1F	ZINC001210073545	814275290	/nfs/dbraw/zinc/27/52/90/814275290.db2.gz	PDZQBIQARNHHEC-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210077262	814276655	/nfs/dbraw/zinc/27/66/55/814276655.db2.gz	SSFBQFMEEQFHPH-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1c(F)c(Cl)ccc1Nc1ccc(C(=O)[O-])nc1	ZINC001210177035	814321824	/nfs/dbraw/zinc/32/18/24/814321824.db2.gz	MQADTWPNNIYSCR-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1noc([N-]c2cccnc2C(F)(F)F)c1C#N	ZINC001210233060	814355921	/nfs/dbraw/zinc/35/59/21/814355921.db2.gz	PCYBUQRSHCXEDF-UHFFFAOYSA-N	-1	0	268.198	3.012	20	30		CGEDRM
N#Cc1ncc(Nc2cccc(C(=O)[O-])c2F)cc1Cl	ZINC001210239470	814359262	/nfs/dbraw/zinc/35/92/62/814359262.db2.gz	XJVBNPRFILTYPH-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cccc(CC#N)c1	ZINC001210260863	814370676	/nfs/dbraw/zinc/37/06/76/814370676.db2.gz	UFRSFOXPAMBNMY-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
N#Cc1cc(Cl)cc(Nc2cc(=O)[n-]c(Cl)n2)c1	ZINC001210536040	814513854	/nfs/dbraw/zinc/51/38/54/814513854.db2.gz	JNCBNNUJYWUXQK-UHFFFAOYSA-N	-1	0	281.102	3.104	20	30		CGEDRM
CC(C)(C)c1nc([N-]c2ccc(F)cc2C#N)no1	ZINC001210553148	814522280	/nfs/dbraw/zinc/52/22/80/814522280.db2.gz	VVVPMQCFGLEKDS-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccccc1-n1cccn1	ZINC001210733075	814600973	/nfs/dbraw/zinc/60/09/73/814600973.db2.gz	XWKVDOXKKJLROG-UHFFFAOYSA-N	-1	0	282.328	3.255	20	30		CGEDRM
N#Cc1cc(N)c(Nc2cccc([O-])c2Cl)cc1C#N	ZINC001210859358	814654022	/nfs/dbraw/zinc/65/40/22/814654022.db2.gz	FGGVQNHRCUCBNB-UHFFFAOYSA-N	-1	0	284.706	3.115	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1OC	ZINC001211036616	814713887	/nfs/dbraw/zinc/71/38/87/814713887.db2.gz	JEEMYKXGXCBPKT-UHFFFAOYSA-N	-1	0	297.314	3.050	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cccc(C(=O)[O-])c2OC)c1	ZINC001211036720	814714475	/nfs/dbraw/zinc/71/44/75/814714475.db2.gz	BZUJFBIIXNFEAB-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1c(Nc2cccc(C)c2C#N)cccc1C(=O)[O-]	ZINC001211037661	814714752	/nfs/dbraw/zinc/71/47/52/814714752.db2.gz	YZDDIQQWMDGQHC-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1c(Nc2ccccc2C#N)cccc1C(=O)[O-]	ZINC001211037281	814715438	/nfs/dbraw/zinc/71/54/38/814715438.db2.gz	SOTBCADTCVZRBL-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cc(F)cc(-c2noc(-c3cc(F)ccc3[O-])n2)c1	ZINC001215769577	815584833	/nfs/dbraw/zinc/58/48/33/815584833.db2.gz	LQYHIYOHMWEPFB-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])cc2C)c1	ZINC001211626305	814920324	/nfs/dbraw/zinc/92/03/24/814920324.db2.gz	BCGMQMXUYNUTFJ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3ccc([O-])c(F)c3)n2)c1	ZINC001215791535	815593121	/nfs/dbraw/zinc/59/31/21/815593121.db2.gz	AOPFTADTAGPYFN-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
COc1cccc(Nc2scc([O-])c2C#N)c1C	ZINC001215799266	815596688	/nfs/dbraw/zinc/59/66/88/815596688.db2.gz	QLLOYYGJAFEOJQ-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
Cc1cc(Nc2c(N)cccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216312252	815775791	/nfs/dbraw/zinc/77/57/91/815775791.db2.gz	IYKJIPFQCNDYFI-UHFFFAOYSA-N	-1	0	281.315	3.199	20	30		CGEDRM
Cc1c(Nc2ccccc2C#N)cccc1C(=O)[O-]	ZINC001216659965	815887977	/nfs/dbraw/zinc/88/79/77/815887977.db2.gz	AVVXJRXDNNMDFI-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-n1cc(C#N)c2cc(N)ccc21	ZINC001216662803	815890299	/nfs/dbraw/zinc/89/02/99/815890299.db2.gz	IEEMKSZUFAVHJK-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H](C)CC(C)C)c1	ZINC001223891498	816699233	/nfs/dbraw/zinc/69/92/33/816699233.db2.gz	LUENZKZVHSJQRT-YZSSSTSJSA-N	-1	0	281.352	3.291	20	30		CGEDRM
CCCCCCCC[C@H](C)OCCCS(=O)(=O)[O-]	ZINC001224900457	816905643	/nfs/dbraw/zinc/90/56/43/816905643.db2.gz	UUCOEUCIARIPHC-ZDUSSCGKSA-N	-1	0	280.430	3.420	20	30		CGEDRM
C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1C#N	ZINC001225619988	817115223	/nfs/dbraw/zinc/11/52/23/817115223.db2.gz	MDMUWMIYGMZJKR-SNVBAGLBSA-N	-1	0	284.271	3.312	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1F	ZINC001226008423	817246642	/nfs/dbraw/zinc/24/66/42/817246642.db2.gz	HIYFVAGURQSKES-MRVPVSSYSA-N	-1	0	276.242	3.077	20	30		CGEDRM
CCC(CC)[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008580	817246750	/nfs/dbraw/zinc/24/67/50/817246750.db2.gz	JNEPBQADHOMOBX-GFCCVEGCSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CCC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)C	ZINC001226008166	817246876	/nfs/dbraw/zinc/24/68/76/817246876.db2.gz	FPNBRXSTFNBFPZ-NSHDSACASA-N	-1	0	252.289	3.001	20	30		CGEDRM
Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013459	817249147	/nfs/dbraw/zinc/24/91/47/817249147.db2.gz	NMPPFURYUAHGQB-AWEZNQCLSA-N	-1	0	284.290	3.173	20	30		CGEDRM
CCCC[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013644	817249465	/nfs/dbraw/zinc/24/94/65/817249465.db2.gz	PFXVOIDSLBAYMW-JTQLQIEISA-N	-1	0	252.289	3.146	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCCc3ccccc32)c1C#N	ZINC001226222391	817302515	/nfs/dbraw/zinc/30/25/15/817302515.db2.gz	ZQOQRIBBZUTODN-OAHLLOKOSA-N	-1	0	280.327	3.424	20	30		CGEDRM
C=CCC[C@H](CC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226481355	817372396	/nfs/dbraw/zinc/37/23/96/817372396.db2.gz	FOKDRLXVHYIYAT-NSHDSACASA-N	-1	0	264.321	3.424	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1[n-]c(=O)nc2cnncc21	ZINC001226690756	817434697	/nfs/dbraw/zinc/43/46/97/817434697.db2.gz	ICMYHGPVBDZGNT-NSHDSACASA-N	-1	0	288.351	3.029	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1nc[n-]c(=O)c1Br	ZINC001226721654	817446070	/nfs/dbraw/zinc/44/60/70/817446070.db2.gz	LGTVTMPQCQAELV-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
Cc1ccc2nc(=O)[n-]c(O[C@@H](C#N)c3ccccc3)c2c1	ZINC001227349351	817630207	/nfs/dbraw/zinc/63/02/07/817630207.db2.gz	GDWQMPARCQKFTN-HNNXBMFYSA-N	-1	0	291.310	3.288	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1ccc(O)c(C#N)c1C#N	ZINC001227624414	817685920	/nfs/dbraw/zinc/68/59/20/817685920.db2.gz	ZPAPTGPYSQPBDK-SECBINFHSA-N	-1	0	276.361	3.001	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227709857	817699574	/nfs/dbraw/zinc/69/95/74/817699574.db2.gz	HGUMPMMOBDIDDY-QWRGUYRKSA-N	-1	0	278.352	3.287	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227989292	817775609	/nfs/dbraw/zinc/77/56/09/817775609.db2.gz	KGXGGMOEPDGGRY-ZANVPECISA-N	-1	0	288.734	3.170	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)ncc2Cl)O1	ZINC001228480458	817918158	/nfs/dbraw/zinc/91/81/58/817918158.db2.gz	KSUVUIKJFFVXHO-YGRLFVJLSA-N	-1	0	298.770	3.117	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc([O-])c(F)c2F)nc1C	ZINC001243339657	823352943	/nfs/dbraw/zinc/35/29/43/823352943.db2.gz	RVPDTLQUSZQFFQ-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
CC[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915318	818730614	/nfs/dbraw/zinc/73/06/14/818730614.db2.gz	IFOOXILMSURDDA-DGCLKSJQSA-N	-1	0	260.337	3.315	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3ccc([O-])c(F)c3F)cc12	ZINC001243343234	823359354	/nfs/dbraw/zinc/35/93/54/823359354.db2.gz	TXCJJVZRCKATBH-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
C=CCC[C@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234336247	818839761	/nfs/dbraw/zinc/83/97/61/818839761.db2.gz	QJWDPABHRMTFON-NSHDSACASA-N	-1	0	286.264	3.282	20	30		CGEDRM
CC(C)CC[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234512046	818869678	/nfs/dbraw/zinc/86/96/78/818869678.db2.gz	ZLNSYVNSKIOILO-LLVKDONJSA-N	-1	0	285.347	3.411	20	30		CGEDRM
C#C[C@H](C)Oc1cc([O-])c(CC=C(C)C)c2occc(=O)c12	ZINC001234755119	818921644	/nfs/dbraw/zinc/92/16/44/818921644.db2.gz	IFBQWJLUMAMTHZ-LBPRGKRZSA-N	-1	0	298.338	3.408	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(C=CC(=O)[O-])cc3)cnc12	ZINC001235622862	819127698	/nfs/dbraw/zinc/12/76/98/819127698.db2.gz	LVAJLUDCFLWPCM-ZZXKWVIFSA-N	-1	0	289.294	3.199	20	30		CGEDRM
O=C([O-])/C=C/c1ccc(-c2ccccc2C=NO)cc1	ZINC001235690308	819142699	/nfs/dbraw/zinc/14/26/99/819142699.db2.gz	DLIHTAZPFBDONN-UHYLOLGCSA-N	-1	0	267.284	3.260	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2ccc(F)c(CO)c2F)cc1F	ZINC001235896499	819206359	/nfs/dbraw/zinc/20/63/59/819206359.db2.gz	QPAQRUNSLBBVIY-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3c(F)cc(F)c([O-])c3F)ccc12	ZINC001235985198	819259033	/nfs/dbraw/zinc/25/90/33/819259033.db2.gz	ODUPCFSJTFDFPZ-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1c(F)cc(F)c([O-])c1F	ZINC001236001036	819267227	/nfs/dbraw/zinc/26/72/27/819267227.db2.gz	RUDCSOFLTPHVLR-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1c(F)cc(F)c([O-])c1F	ZINC001235999757	819267506	/nfs/dbraw/zinc/26/75/06/819267506.db2.gz	AHRQXRLBYQUCSR-UHFFFAOYSA-N	-1	0	297.207	3.496	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1F	ZINC001236061294	819293604	/nfs/dbraw/zinc/29/36/04/819293604.db2.gz	VHUDUSQTXRZVHG-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2)c(CC#N)c1	ZINC001236065265	819297115	/nfs/dbraw/zinc/29/71/15/819297115.db2.gz	HUMMJWGMNYZUTD-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
Cc1ccnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1C#N	ZINC001236145057	819345396	/nfs/dbraw/zinc/34/53/96/819345396.db2.gz	XIDWHHKGKGNIBV-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1ncc(-c2ccc(Cl)c(C(=O)[O-])c2F)cc1F	ZINC001236151666	819347262	/nfs/dbraw/zinc/34/72/62/819347262.db2.gz	CMRYVQRHKKADAB-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
CC1(C#N)CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1	ZINC001237996689	819905600	/nfs/dbraw/zinc/90/56/00/819905600.db2.gz	HNNAJHQYUBNQMZ-UHFFFAOYSA-N	-1	0	282.746	3.310	20	30		CGEDRM
[O-]c1c(F)cc(CN2CCC(S)CC2)cc1Cl	ZINC001237997773	819907300	/nfs/dbraw/zinc/90/73/00/819907300.db2.gz	PBKXQABMKITINY-UHFFFAOYSA-N	-1	0	275.776	3.079	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])cc1F)CCCC2	ZINC001239254043	820241946	/nfs/dbraw/zinc/24/19/46/820241946.db2.gz	IANKGGGGIOACDA-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
Cc1cc(C#N)c(-c2cccc(/C=C/C(=O)[O-])c2)nc1C	ZINC001240547512	821134029	/nfs/dbraw/zinc/13/40/29/821134029.db2.gz	XPKVRCLOQXYDIJ-VOTSOKGWSA-N	-1	0	278.311	3.335	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)ccc1[O-])CCCC2	ZINC001240696207	821253012	/nfs/dbraw/zinc/25/30/12/821253012.db2.gz	GYBGTYRUUNRGKC-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C#N)cc2[nH]ccc21	ZINC001240735786	821287997	/nfs/dbraw/zinc/28/79/97/821287997.db2.gz	DEZUPTSCZISCRP-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(C)c1C#N	ZINC001240735220	821288199	/nfs/dbraw/zinc/28/81/99/821288199.db2.gz	TXEJUHZQXKCWJJ-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(F)c(CC#N)c1	ZINC001240738007	821290036	/nfs/dbraw/zinc/29/00/36/821290036.db2.gz	XIFNYPCJPOYOFH-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])s2)ccc1F	ZINC001240849420	821369283	/nfs/dbraw/zinc/36/92/83/821369283.db2.gz	PWUZWCTWCGDMHK-VIZOYTHASA-N	-1	0	279.292	3.233	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3ccc(CC(=O)[O-])cc3)c2c1	ZINC001240972350	821457289	/nfs/dbraw/zinc/45/72/89/821457289.db2.gz	ONFJHVJABIZRCN-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240977292	821461368	/nfs/dbraw/zinc/46/13/68/821461368.db2.gz	JNPAXCBQFOJPKO-GZTJUZNOSA-N	-1	0	269.300	3.179	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc2c(cc1C#N)CCC2	ZINC001241000406	821478288	/nfs/dbraw/zinc/47/82/88/821478288.db2.gz	NUURKIKFNOIUDS-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
COc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001241245972	821667200	/nfs/dbraw/zinc/66/72/00/821667200.db2.gz	MHKRBWAEKSEQOJ-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241345780	821750017	/nfs/dbraw/zinc/75/00/17/821750017.db2.gz	PTKRJBZBIRLGTJ-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1cccc(C(=O)[O-])c1	ZINC001241356845	821757935	/nfs/dbraw/zinc/75/79/35/821757935.db2.gz	IBEXPDOURBHJKL-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1cc2ccc(-c3cncc(C(=O)[O-])c3)cc2cc1C#N	ZINC001241802986	822151139	/nfs/dbraw/zinc/15/11/39/822151139.db2.gz	NLXWQZXIDLEFGR-UHFFFAOYSA-N	-1	0	299.289	3.343	20	30		CGEDRM
COc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1CC#N	ZINC001241828061	822166448	/nfs/dbraw/zinc/16/64/48/822166448.db2.gz	RPSKXYPKBGXFAA-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CCc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1F	ZINC001241828926	822167233	/nfs/dbraw/zinc/16/72/33/822167233.db2.gz	NEQPIQXOJSFDII-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(-c2ccc(CC#N)cc2)cc1C(=O)[O-]	ZINC001241865128	822183990	/nfs/dbraw/zinc/18/39/90/822183990.db2.gz	JPXSSHIYPQWZFC-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
Cc1ncc(C#N)c(-c2cc(C(F)(F)F)ccc2[O-])n1	ZINC001242132117	822888745	/nfs/dbraw/zinc/88/87/45/822888745.db2.gz	WBKJKAVGLCZAKL-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1F	ZINC001242131891	822888940	/nfs/dbraw/zinc/88/89/40/822888940.db2.gz	LHFPTRQMPWXOGD-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)c1C#N	ZINC001242151065	822895273	/nfs/dbraw/zinc/89/52/73/822895273.db2.gz	FMQZPZXCORVDJF-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3ccc(F)cc3[O-])c2c1	ZINC001242215850	822913657	/nfs/dbraw/zinc/91/36/57/822913657.db2.gz	JMIXKOAOJVKRRP-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2F)cc1	ZINC001242380599	822974916	/nfs/dbraw/zinc/97/49/16/822974916.db2.gz	PNYURRTUMXUIQS-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1ncc(Cl)cc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001242509160	823014426	/nfs/dbraw/zinc/01/44/26/823014426.db2.gz	WGSCWBHZFJBMNB-UBKPWBPPSA-N	-1	0	280.686	3.358	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC001341324951	936434455	/nfs/dbraw/zinc/43/44/55/936434455.db2.gz	DSNUTAYFKYTXIY-CYBMUJFWSA-N	-1	0	296.411	3.018	20	30		CGEDRM
CC(C)c1ncc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001342560002	936470091	/nfs/dbraw/zinc/47/00/91/936470091.db2.gz	XVUFTIFXWKIMGV-SECBINFHSA-N	-1	0	289.335	3.291	20	30		CGEDRM
N#CC(=C([O-])c1csc(C#N)c1)c1nc(C2CC2)cs1	ZINC001345813984	936826002	/nfs/dbraw/zinc/82/60/02/936826002.db2.gz	IYVMEFKNGLGCLM-NSHDSACASA-N	-1	0	299.380	3.444	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)cc1F	ZINC000168437210	926814894	/nfs/dbraw/zinc/81/48/94/926814894.db2.gz	WLTLCYYVQXZTRC-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C=CCC1(C(=O)[N-]Oc2ccccc2F)CCCC1	ZINC001455482441	937418710	/nfs/dbraw/zinc/41/87/10/937418710.db2.gz	RCSBJULGUUSLSP-UHFFFAOYSA-N	-1	0	263.312	3.372	20	30		CGEDRM
C#CC[C@@H](C)Oc1nc(=S)[nH]c2scc(C)c21	ZINC001229354305	932136076	/nfs/dbraw/zinc/13/60/76/932136076.db2.gz	VSLAXRDJEHFODA-MRVPVSSYSA-N	-1	0	264.375	3.079	20	30		CGEDRM
C#C[C@@H](CC)Oc1ccc2c(c1)oc1cc(O)ccc1c2=O	ZINC001229516849	932165095	/nfs/dbraw/zinc/16/50/95/932165095.db2.gz	KJABMIMUKVIERP-LBPRGKRZSA-N	-1	0	294.306	3.442	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230240699	932546215	/nfs/dbraw/zinc/54/62/15/932546215.db2.gz	OAGFMIGCIFSVQO-VIFPVBQESA-N	-1	0	271.748	3.134	20	30		CGEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230888363	932635688	/nfs/dbraw/zinc/63/56/88/932635688.db2.gz	LDZXLPJDPKJHLN-NSHDSACASA-N	-1	0	256.305	3.153	20	30		CGEDRM
C=C[C@H](C(=O)[N-]OCc1ccccc1)c1ccccc1	ZINC001463935607	937683159	/nfs/dbraw/zinc/68/31/59/937683159.db2.gz	SHKWVMVGZRUOQH-INIZCTEOSA-N	-1	0	267.328	3.204	20	30		CGEDRM
COC(=O)c1cccc(/C=C/C(=O)c2ccc(C)cc2[O-])c1	ZINC001319204296	933841985	/nfs/dbraw/zinc/84/19/85/933841985.db2.gz	QEJHNCMYGTYGOV-VQHVLOKHSA-N	-1	0	296.322	3.383	20	30		CGEDRM
CC(C)C(C#N)=CNNc1ccc(Cl)c(C(=O)[O-])c1	ZINC001319496863	933885381	/nfs/dbraw/zinc/88/53/81/933885381.db2.gz	TVRYLLVSTQROAL-VIFPVBQESA-N	-1	0	279.727	3.232	20	30		CGEDRM
C=CCN(C(=O)c1ccc(F)c(O)c1)c1ccccc1	ZINC001468643923	937730130	/nfs/dbraw/zinc/73/01/30/937730130.db2.gz	HJHQYROOXFYMQO-UHFFFAOYSA-N	-1	0	271.291	3.364	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cccc(F)c2[O-])c(Cl)c1	ZINC001518349828	938014998	/nfs/dbraw/zinc/01/49/98/938014998.db2.gz	KILORTMEOPVHTF-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1cc(F)ccc1NC(=O)c1cccc(Cl)c1[O-]	ZINC001532255682	938085659	/nfs/dbraw/zinc/08/56/59/938085659.db2.gz	GEOZMJKBUGEVNE-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C#CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC001558900599	938218343	/nfs/dbraw/zinc/21/83/43/938218343.db2.gz	YSYFNZYXPCBXCF-UHFFFAOYSA-N	-1	0	285.730	3.076	20	30		CGEDRM
CCCCCCCCC(=O)N(C)[C@@H](CC)C(=O)[O-]	ZINC000105963691	949210529	/nfs/dbraw/zinc/21/05/29/949210529.db2.gz	AGECCXPYMIARTK-LBPRGKRZSA-N	-1	0	257.374	3.059	20	30		CGEDRM
C#Cc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1	ZINC000387158814	951313128	/nfs/dbraw/zinc/31/31/28/951313128.db2.gz	QPAFEGLQFXYINJ-UHFFFAOYSA-N	-1	0	294.310	3.319	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000393731693	951440450	/nfs/dbraw/zinc/44/04/50/951440450.db2.gz	BYBGISALDSKGLZ-SNVBAGLBSA-N	-1	0	280.299	3.000	20	30		CGEDRM
N#CC1CCC(Nc2cccc(CCC(=O)[O-])c2)CC1	ZINC001594606205	956178488	/nfs/dbraw/zinc/17/84/88/956178488.db2.gz	SEGLAMYURNCOBD-UHFFFAOYSA-N	-1	0	272.348	3.198	20	30		CGEDRM
N#Cc1cc(CNc2cccc(CCC(=O)[O-])c2)cs1	ZINC001594616987	956245526	/nfs/dbraw/zinc/24/55/26/956245526.db2.gz	VQEWLRMTWAJRDB-UHFFFAOYSA-N	-1	0	286.356	3.249	20	30		CGEDRM
C=CCc1ccccc1OCc1occc1C(=O)[O-]	ZINC000037506563	957306293	/nfs/dbraw/zinc/30/62/93/957306293.db2.gz	XBPPDWXXZKQFLE-UHFFFAOYSA-N	-1	0	258.273	3.285	20	30		CGEDRM
COc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000254986524	957676932	/nfs/dbraw/zinc/67/69/32/957676932.db2.gz	QLJKEXWDLVPUHK-VURMDHGXSA-N	-1	0	299.282	3.205	20	30		CGEDRM
C=CCN(C(=O)Nc1cccc(Cl)c1C(=O)[O-])C1CC1	ZINC000162379318	959213800	/nfs/dbraw/zinc/21/38/00/959213800.db2.gz	XDPDEUIDFRNPIX-UHFFFAOYSA-N	-1	0	294.738	3.221	20	30		CGEDRM
CC[C@H](Sc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000162510752	959214726	/nfs/dbraw/zinc/21/47/26/959214726.db2.gz	JCCZMRLISUSQFB-VIFPVBQESA-N	-1	0	255.726	3.167	20	30		CGEDRM
C[C@@H](CC(=O)[O-])SCCCCC1(C#N)CCC1	ZINC001592422480	960507463	/nfs/dbraw/zinc/50/74/63/960507463.db2.gz	RAGDWUYDNUTOCQ-NSHDSACASA-N	-1	0	255.383	3.447	20	30		CGEDRM
C#CCCCCC(=O)Nc1cccc(Cl)c1C(=O)[O-]	ZINC000236456729	960629929	/nfs/dbraw/zinc/62/99/29/960629929.db2.gz	VPRLNOIPRFGGTH-UHFFFAOYSA-N	-1	0	279.723	3.170	20	30		CGEDRM
CC(C)(C)CC[C@H](Nc1cc(F)ccc1C#N)C(=O)[O-]	ZINC001573424862	962254976	/nfs/dbraw/zinc/25/49/76/962254976.db2.gz	PBKLHFFUYZSXCK-LBPRGKRZSA-N	-1	0	278.327	3.389	20	30		CGEDRM
C=C(C)CCC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001573323398	962771448	/nfs/dbraw/zinc/77/14/48/962771448.db2.gz	BFOWOKGTJWNPFS-UHFFFAOYSA-N	-1	0	268.696	3.300	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F	ZINC001573347819	962952674	/nfs/dbraw/zinc/95/26/74/962952674.db2.gz	ONVNYXCDXYBNQQ-OAHLLOKOSA-N	-1	0	298.285	3.309	20	30		CGEDRM
C=CC[C@@H](Sc1c(F)cc(F)cc1F)C(=O)[O-]	ZINC001573352396	962987066	/nfs/dbraw/zinc/98/70/66/962987066.db2.gz	BGTGZSQJENBMGH-SECBINFHSA-N	-1	0	262.252	3.225	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccccc1CCC)C(=O)[O-]	ZINC001573366428	963060060	/nfs/dbraw/zinc/06/00/60/963060060.db2.gz	MDVIXQQAOUKGOF-OAHLLOKOSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC001586067118	963062166	/nfs/dbraw/zinc/06/21/66/963062166.db2.gz	YDMYAWILHFOPFJ-ZDUSSCGKSA-N	-1	0	291.391	3.375	20	30		CGEDRM
C=CCSc1nc(C(F)(F)F)ccc1C(=O)[O-]	ZINC000304277484	963134306	/nfs/dbraw/zinc/13/43/06/963134306.db2.gz	DYXYYEPPBZZJHY-UHFFFAOYSA-N	-1	0	263.240	3.077	20	30		CGEDRM
C=CC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC001588745527	963168959	/nfs/dbraw/zinc/16/89/59/963168959.db2.gz	KBXIGTFHYAVCCR-VHSXEESVSA-N	-1	0	282.409	3.121	20	30		CGEDRM
C#C[C@H](C)OC(=O)c1ccccc1-c1ccccc1C(=O)[O-]	ZINC001588369366	963269442	/nfs/dbraw/zinc/26/94/42/963269442.db2.gz	JFPMTQBFKSDUSY-LBPRGKRZSA-N	-1	0	294.306	3.230	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)C2(C(=O)[O-])CC=CC2)c1	ZINC001588444611	963270538	/nfs/dbraw/zinc/27/05/38/963270538.db2.gz	KNKXKQLVRCBNOT-UHFFFAOYSA-N	-1	0	271.316	3.079	20	30		CGEDRM
C=CCC[C@@H](C(=O)N(CCC)CC(=O)[O-])c1ccccc1	ZINC001588457325	963275044	/nfs/dbraw/zinc/27/50/44/963275044.db2.gz	VEQRBMGQZITQLJ-OAHLLOKOSA-N	-1	0	289.375	3.060	20	30		CGEDRM
C#CCN(Cc1ccccc1)[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588470029	963276462	/nfs/dbraw/zinc/27/64/62/963276462.db2.gz	ZOWGRJDWZSUCHY-CQSZACIVSA-N	-1	0	297.354	3.483	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001588460461	963276532	/nfs/dbraw/zinc/27/65/32/963276532.db2.gz	IUCSVXRQSQSYOH-AWEZNQCLSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588530202	963278909	/nfs/dbraw/zinc/27/89/09/963278909.db2.gz	VNUCOXOOCDTVCP-UHFFFAOYSA-N	-1	0	296.392	3.046	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OC[C@H]1CCCO1	ZINC001588576819	963282599	/nfs/dbraw/zinc/28/25/99/963282599.db2.gz	ACVYOMPWPWQUSQ-CYBMUJFWSA-N	-1	0	276.332	3.061	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC001588535290	963285128	/nfs/dbraw/zinc/28/51/28/963285128.db2.gz	HCEFKUIRXPWAIZ-JTQLQIEISA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=C(C)CC[C@@H](C)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588559634	963286028	/nfs/dbraw/zinc/28/60/28/963286028.db2.gz	PRSZLBOHYQPJLR-JHJVBQTASA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OC[C@@H]1CCCO1	ZINC001588576820	963287876	/nfs/dbraw/zinc/28/78/76/963287876.db2.gz	ACVYOMPWPWQUSQ-ZDUSSCGKSA-N	-1	0	276.332	3.061	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-]	ZINC001588559107	963288444	/nfs/dbraw/zinc/28/84/44/963288444.db2.gz	IVMFTPXFNXSKSE-UHFFFAOYSA-N	-1	0	291.347	3.467	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1CCC(C)C	ZINC001588621318	963292216	/nfs/dbraw/zinc/29/22/16/963292216.db2.gz	CCZWHJHVSXKRJG-KGLIPLIRSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC001588606330	963292294	/nfs/dbraw/zinc/29/22/94/963292294.db2.gz	XHWGZHOVDXHOHM-DZGCQCFKSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc2ccccc2c(OC)c1	ZINC001588629537	963295546	/nfs/dbraw/zinc/29/55/46/963295546.db2.gz	LUGZAHJDSNYDMS-UHFFFAOYSA-N	-1	0	299.326	3.208	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)CC1	ZINC001588650023	963296419	/nfs/dbraw/zinc/29/64/19/963296419.db2.gz	SSJFWCWPWXYYBN-UHFFFAOYSA-N	-1	0	288.347	3.082	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001588683121	963296863	/nfs/dbraw/zinc/29/68/63/963296863.db2.gz	UXVRDGCDEZGDPZ-CQSZACIVSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C[C@@H](C(=O)NCCCCCCC(=O)[O-])c1ccccc1	ZINC001588664897	963298200	/nfs/dbraw/zinc/29/82/00/963298200.db2.gz	ZBCOWKMYECDODM-OAHLLOKOSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=C1CCC(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])CC1	ZINC001588644415	963298762	/nfs/dbraw/zinc/29/87/62/963298762.db2.gz	VPGRMGMLDRLZPR-UHFFFAOYSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC001588715447	963303622	/nfs/dbraw/zinc/30/36/22/963303622.db2.gz	XKKZSBRBFIPBDG-SSDOTTSWSA-N	-1	0	257.380	3.172	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001588718813	963305007	/nfs/dbraw/zinc/30/50/07/963305007.db2.gz	GNKKIEMFRVWTEQ-ZDUSSCGKSA-N	-1	0	288.347	3.266	20	30		CGEDRM
C=C[C@@H](Sc1nc2cc(F)cc(Cl)c2o1)C(=O)[O-]	ZINC001588714776	963306260	/nfs/dbraw/zinc/30/62/60/963306260.db2.gz	NHSXGPYQGBVBCH-MRVPVSSYSA-N	-1	0	287.699	3.352	20	30		CGEDRM
C=C[C@@H](Nc1cc(NC(=O)C(C)(C)C)ccc1C)C(=O)[O-]	ZINC001588702048	963306379	/nfs/dbraw/zinc/30/63/79/963306379.db2.gz	HGMIXBVUZZEDAX-GFCCVEGCSA-N	-1	0	290.363	3.031	20	30		CGEDRM
C=CCC(C)(C)c1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC001588736935	963308007	/nfs/dbraw/zinc/30/80/07/963308007.db2.gz	ZUYRSNFGWSCQCS-GHMZBOCLSA-N	-1	0	278.352	3.282	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC001588736039	963308690	/nfs/dbraw/zinc/30/86/90/963308690.db2.gz	CJWRYCMKYRFMAV-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588736237	963309750	/nfs/dbraw/zinc/30/97/50/963309750.db2.gz	FNKRAXFJDFYHTO-UHFFFAOYSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC001588742416	963310820	/nfs/dbraw/zinc/31/08/20/963310820.db2.gz	CMAFWOXRXRAJJL-UHFFFAOYSA-N	-1	0	289.303	3.159	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCC1	ZINC001588764500	963311659	/nfs/dbraw/zinc/31/16/59/963311659.db2.gz	BVJOIFKHUSOKKA-UHFFFAOYSA-N	-1	0	277.295	3.209	20	30		CGEDRM
C=CCC(C)(C)c1noc(-c2ccc(/C=C\C(=O)[O-])o2)n1	ZINC001588736342	963312608	/nfs/dbraw/zinc/31/26/08/963312608.db2.gz	HRHGKBFSLUXUSO-VURMDHGXSA-N	-1	0	288.303	3.281	20	30		CGEDRM
C=CCCC[C@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC001588784689	963315048	/nfs/dbraw/zinc/31/50/48/963315048.db2.gz	ACBIDMKYHBKINU-LZNAANCOSA-N	-1	0	298.342	3.169	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])s1	ZINC001588784872	963315381	/nfs/dbraw/zinc/31/53/81/963315381.db2.gz	CPSXVAAMZYMNJL-VIFPVBQESA-N	-1	0	282.365	3.313	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC001588789939	963316375	/nfs/dbraw/zinc/31/63/75/963316375.db2.gz	NNXZVMVFIZIYGT-CQSZACIVSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC001588788635	963317075	/nfs/dbraw/zinc/31/70/75/963317075.db2.gz	IUAGFDZVGIBNDF-GFCCVEGCSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC001588786965	963318230	/nfs/dbraw/zinc/31/82/30/963318230.db2.gz	RZTJCGNZKSTVKW-OCCSQVGLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccccc1	ZINC001588820269	963322170	/nfs/dbraw/zinc/32/21/70/963322170.db2.gz	YTIDBRQYRUPQGF-CMDGGOBGSA-N	-1	0	297.310	3.210	20	30		CGEDRM
C=CCON=C(C)c1cnc2sc(C(=O)[O-])c(C)c2c1	ZINC001588868516	963325492	/nfs/dbraw/zinc/32/54/92/963325492.db2.gz	IUQZSWNLJQNTIC-UHFFFAOYSA-N	-1	0	290.344	3.230	20	30		CGEDRM
CC#CCCCC(=O)OCc1c(Cl)cccc1C(=O)[O-]	ZINC001588926885	963330331	/nfs/dbraw/zinc/33/03/31/963330331.db2.gz	BHYXOYAPXVMCFI-UHFFFAOYSA-N	-1	0	294.734	3.275	20	30		CGEDRM
CC#CCCCC(=O)O[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC001588927074	963330846	/nfs/dbraw/zinc/33/08/46/963330846.db2.gz	LUELYWPMHYGKIN-AWEZNQCLSA-N	-1	0	280.364	3.147	20	30		CGEDRM
CC#CCCCC(=O)Oc1cc(CC)ccc1C(=O)[O-]	ZINC001588927260	963331406	/nfs/dbraw/zinc/33/14/06/963331406.db2.gz	QXSWSJLLKVUKFO-UHFFFAOYSA-N	-1	0	274.316	3.046	20	30		CGEDRM
CC(=NNc1ccc(CC(=O)[O-])cc1)c1occc1C	ZINC001589016316	963341724	/nfs/dbraw/zinc/34/17/24/963341724.db2.gz	GAQNXERYEWQZAJ-UHFFFAOYSA-N	-1	0	272.304	3.051	20	30		CGEDRM
CC(=NNCc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1	ZINC001589016597	963343786	/nfs/dbraw/zinc/34/37/86/963343786.db2.gz	CEAORXPZCWWECL-UHFFFAOYSA-N	-1	0	286.306	3.038	20	30		CGEDRM
Cc1ccc(C(C)N=Nc2cccc(F)c2C(=O)[O-])o1	ZINC001589017525	963343820	/nfs/dbraw/zinc/34/38/20/963343820.db2.gz	UDYKORKVOXEEAZ-UHFFFAOYSA-N	-1	0	276.267	3.261	20	30		CGEDRM
C=CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000312332670	963554310	/nfs/dbraw/zinc/55/43/10/963554310.db2.gz	UOSJDQAAIQPAGL-UHFFFAOYSA-N	-1	0	276.336	3.171	20	30		CGEDRM
CCCCCCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-]	ZINC001589645049	964009892	/nfs/dbraw/zinc/00/98/92/964009892.db2.gz	KQKGXYAQUWTUKB-CHWSQXEVSA-N	-1	0	269.385	3.201	20	30		CGEDRM
C#CCCCCC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-]	ZINC001588440531	964039208	/nfs/dbraw/zinc/03/92/08/964039208.db2.gz	YWJYIZKZVBNMEE-OAHLLOKOSA-N	-1	0	287.359	3.076	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC001588440862	964046738	/nfs/dbraw/zinc/04/67/38/964046738.db2.gz	UPATUPNKABEDPU-CYBMUJFWSA-N	-1	0	287.359	3.397	20	30		CGEDRM
N#CCc1cccc(NCc2ccc(C(=O)[O-])cc2)c1	ZINC000313483278	967959501	/nfs/dbraw/zinc/95/95/01/967959501.db2.gz	UGUXMADZQOCOLY-UHFFFAOYSA-N	-1	0	266.300	3.063	20	30		CGEDRM
O=C([O-])C1CCC(N=Nc2ccccc2Cl)CC1	ZINC001608616940	970405923	/nfs/dbraw/zinc/40/59/23/970405923.db2.gz	OGXSAAAZLLFMFK-UHFFFAOYSA-N	-1	0	266.728	3.383	20	30		CGEDRM
CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC001603525854	973563823	/nfs/dbraw/zinc/56/38/23/973563823.db2.gz	DJMVNHRWQWLIKI-UHFFFAOYSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001603640721	973984280	/nfs/dbraw/zinc/98/42/80/973984280.db2.gz	PSXGIHQMULQYEU-HDJSIYSDSA-N	-1	0	298.427	3.242	20	30		CGEDRM
CC(CC(C)(C)CC(=O)[O-])N=Nc1ccc(C#N)cc1	ZINC001592444539	978103508	/nfs/dbraw/zinc/10/35/08/978103508.db2.gz	NQZVQTVQXBEAMY-UHFFFAOYSA-N	-1	0	273.336	3.237	20	30		CGEDRM
C[C@@H](CCC#N)CNc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC001592469882	978215084	/nfs/dbraw/zinc/21/50/84/978215084.db2.gz	BKOLPTURLMBMSF-LBPRGKRZSA-N	-1	0	274.364	3.401	20	30		CGEDRM
CC(CCCCC#N)N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001592485103	978262038	/nfs/dbraw/zinc/26/20/38/978262038.db2.gz	LKBYWIBHBHPSHG-UHFFFAOYSA-N	-1	0	277.299	3.396	20	30		CGEDRM
CCCC[C@H](SCc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC001595654029	982038892	/nfs/dbraw/zinc/03/88/92/982038892.db2.gz	ADZXORJWLNXXAU-AWEZNQCLSA-N	-1	0	293.388	3.443	20	30		CGEDRM
CCCC[C@@H](SCC#Cc1ccccc1)C(=O)[O-]	ZINC001595655002	982042699	/nfs/dbraw/zinc/04/26/99/982042699.db2.gz	GZCRJHAXLWBAIR-CQSZACIVSA-N	-1	0	262.374	3.415	20	30		CGEDRM
CCCC[C@H](SCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001595656090	982050271	/nfs/dbraw/zinc/05/02/71/982050271.db2.gz	TVCHMQGPISEPRP-AWEZNQCLSA-N	-1	0	277.389	3.477	20	30		CGEDRM
CCCCC[C@H](Nc1nc(C#N)c(Cl)s1)C(=O)[O-]	ZINC001595686835	982177079	/nfs/dbraw/zinc/17/70/79/982177079.db2.gz	IAJUYZGEYAUBRD-ZETCQYMHSA-N	-1	0	287.772	3.114	20	30		CGEDRM
CCc1nc2ccccc2n1N=Cc1cc(C(=O)[O-])c(C)o1	ZINC001597698020	988913215	/nfs/dbraw/zinc/91/32/15/988913215.db2.gz	RSVIBJYXTNAZEW-UHFFFAOYSA-N	-1	0	297.314	3.081	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(NCc2cc(C(=O)[O-])co2)n1	ZINC001590472065	990042702	/nfs/dbraw/zinc/04/27/02/990042702.db2.gz	HOBSPOGWGYYFIF-UHFFFAOYSA-N	-1	0	299.330	3.154	20	30		CGEDRM
C[C@H](SCC(C)(C)C(=O)[O-])c1cccc(C#N)c1	ZINC001593656898	996029734	/nfs/dbraw/zinc/02/97/34/996029734.db2.gz	VBNPDTFYBIBKGY-JTQLQIEISA-N	-1	0	263.362	3.463	20	30		CGEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])cn2)[C@@H]2CCC[C@@H]21	ZINC001593816091	996553115	/nfs/dbraw/zinc/55/31/15/996553115.db2.gz	RTPGKLUKRHDVGD-MNOVXSKESA-N	-1	0	273.336	3.004	20	30		CGEDRM
COc1cc(C)ccc1OCc1cccc(C(=O)[O-])c1C#N	ZINC001599395003	997108770	/nfs/dbraw/zinc/10/87/70/997108770.db2.gz	IHZWIVDWUFNSGA-UHFFFAOYSA-N	-1	0	297.310	3.153	20	30		CGEDRM
CC1=C(C(=O)[O-])C[C@@H](CSc2ccc(C)cc2C#N)O1	ZINC001594105754	998163141	/nfs/dbraw/zinc/16/31/41/998163141.db2.gz	GTXOIKAQAWGOQP-LBPRGKRZSA-N	-1	0	289.356	3.106	20	30		CGEDRM
C[C@H]1C/C(=C/c2cc(C(=O)[O-])n(C)c2)C(=O)c2ccccc21	ZINC001594196647	998762204	/nfs/dbraw/zinc/76/22/04/998762204.db2.gz	LSWBTMLPSNYDRM-LFTLCWSBSA-N	-1	0	295.338	3.497	20	30		CGEDRM
N#CC(=C([O-])c1ccsc1)c1nc2ccccc2o1	ZINC000041544182	344971759	/nfs/dbraw/zinc/97/17/59/344971759.db2.gz	YRKXLBFKKRYGQS-SNVBAGLBSA-N	-1	0	268.297	3.379	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)ccc1NC1(CC(=O)[O-])CCC1	ZINC000094291403	345897910	/nfs/dbraw/zinc/89/79/10/345897910.db2.gz	PDQRDTVDZFGPDR-UHFFFAOYSA-N	-1	0	298.264	3.386	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])ccc1O	ZINC000097439023	345908910	/nfs/dbraw/zinc/90/89/10/345908910.db2.gz	FMEQRZWKCUESAZ-DJWKRKHSSA-N	-1	0	288.274	3.142	20	30		CGEDRM
N#Cc1cc(NCCCCC(=O)[O-])ccc1C(F)(F)F	ZINC000163859858	346181701	/nfs/dbraw/zinc/18/17/01/346181701.db2.gz	GNEXUBNOCXJNET-UHFFFAOYSA-N	-1	0	286.253	3.244	20	30		CGEDRM
CCCCc1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000593945966	347121780	/nfs/dbraw/zinc/12/17/80/347121780.db2.gz	WTGFUFGUHINOOS-UHFFFAOYSA-N	-1	0	298.390	3.247	20	30		CGEDRM
CC(C)CCn1ccc(N=c2[n-]c(C#N)c(Cl)s2)n1	ZINC000596190093	347396582	/nfs/dbraw/zinc/39/65/82/347396582.db2.gz	VUZHEARYRRYUME-UHFFFAOYSA-N	-1	0	295.799	3.076	20	30		CGEDRM
C[C@@H](CC#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000597460473	347576128	/nfs/dbraw/zinc/57/61/28/347576128.db2.gz	ROHGETHYSVWYLW-LURJTMIESA-N	-1	0	273.119	3.187	20	30		CGEDRM
CCCn1nc(C)c(-c2cc(C#N)ccc2[O-])c1C	ZINC000600788950	347836227	/nfs/dbraw/zinc/83/62/27/347836227.db2.gz	CVWZLDOWZCCLFC-UHFFFAOYSA-N	-1	0	255.321	3.154	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1C(F)(F)F	ZINC000601939577	347927029	/nfs/dbraw/zinc/92/70/29/347927029.db2.gz	MQNSQOGTBLYFEK-JTQLQIEISA-N	-1	0	293.248	3.080	20	30		CGEDRM
C=CCN=c1[n-]nc(SC[C@@H](C)c2ccccc2)s1	ZINC000604839597	348135520	/nfs/dbraw/zinc/13/55/20/348135520.db2.gz	BZHXASQYHVWCTL-LLVKDONJSA-N	-1	0	291.445	3.454	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2ccccc2)cc1	ZINC000108611223	186224139	/nfs/dbraw/zinc/22/41/39/186224139.db2.gz	FUBIEIGQPXUXNV-FLIBITNWSA-N	-1	0	266.296	3.210	20	30		CGEDRM
C=CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000630290555	350821296	/nfs/dbraw/zinc/82/12/96/350821296.db2.gz	XKWCMCIYZQZCMS-ZIAGYGMSSA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000630314366	350823345	/nfs/dbraw/zinc/82/33/45/350823345.db2.gz	RAIVJWCCFXRZCQ-UHFFFAOYSA-N	-1	0	275.348	3.107	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000634927054	351604972	/nfs/dbraw/zinc/60/49/72/351604972.db2.gz	HGRLJBXHCUPZBD-AWEZNQCLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000634933041	351605982	/nfs/dbraw/zinc/60/59/82/351605982.db2.gz	OJUNGMUSZBBYHT-UHFFFAOYSA-N	-1	0	289.375	3.476	20	30		CGEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000158366865	188372441	/nfs/dbraw/zinc/37/24/41/188372441.db2.gz	HCBFZNHQPYRZFL-VIFPVBQESA-N	-1	0	292.360	3.036	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)cc2)n1	ZINC000041520279	369189393	/nfs/dbraw/zinc/18/93/93/369189393.db2.gz	AUFSAJZLGPNIOO-GFCCVEGCSA-N	-1	0	256.330	3.250	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)s1	ZINC000042316187	369213852	/nfs/dbraw/zinc/21/38/52/369213852.db2.gz	YUEXIBMBADLHII-JTQLQIEISA-N	-1	0	285.390	3.058	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)C1CCCC1	ZINC000048518880	369356758	/nfs/dbraw/zinc/35/67/58/369356758.db2.gz	SHCXWEWISRQCNH-UHFFFAOYSA-N	-1	0	287.768	3.175	20	30		CGEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514153	369405010	/nfs/dbraw/zinc/40/50/10/369405010.db2.gz	ZSTPKUMAAHYMDY-UHFFFAOYSA-N	-1	0	295.404	3.210	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000424784550	372100140	/nfs/dbraw/zinc/10/01/40/372100140.db2.gz	KPZHBTTZGIYGOY-UHFFFAOYSA-N	-1	0	261.321	3.136	20	30		CGEDRM
C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(O)c1Cl	ZINC000293189798	372321629	/nfs/dbraw/zinc/32/16/29/372321629.db2.gz	HYIQHXDNWZJMMF-WFASDCNBSA-N	-1	0	281.783	3.116	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(F)cc2n[nH]nc21	ZINC000328645791	374372976	/nfs/dbraw/zinc/37/29/76/374372976.db2.gz	GPFGWBUYGFQRAE-RKDXNWHRSA-N	-1	0	290.342	3.226	20	30		CGEDRM
CCCOc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188248767	375183626	/nfs/dbraw/zinc/18/36/26/375183626.db2.gz	LGBFOJGLAYXKKW-UHFFFAOYSA-N	-1	0	296.326	3.305	20	30		CGEDRM
CCCNc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000190124055	375479365	/nfs/dbraw/zinc/47/93/65/375479365.db2.gz	NBTAUMJGAVPYOL-UHFFFAOYSA-N	-1	0	295.342	3.338	20	30		CGEDRM
CCC[C@H](C)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1	ZINC000191105470	375578021	/nfs/dbraw/zinc/57/80/21/375578021.db2.gz	UIYYRRSXDXMXHH-JTQLQIEISA-N	-1	0	298.346	3.143	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1ncccc1[O-]	ZINC000337499397	376225367	/nfs/dbraw/zinc/22/53/67/376225367.db2.gz	BHAOZWJUGRCCHW-UHFFFAOYSA-N	-1	0	268.316	3.158	20	30		CGEDRM
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000314089148	542435560	/nfs/dbraw/zinc/43/55/60/542435560.db2.gz	GVHMUTPOMDXXAL-UHFFFAOYSA-N	-1	0	297.310	3.202	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000263302675	131289381	/nfs/dbraw/zinc/28/93/81/131289381.db2.gz	UXETUOANHQHNHQ-SUMWQHHRSA-N	-1	0	289.375	3.095	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000263302673	131289465	/nfs/dbraw/zinc/28/94/65/131289465.db2.gz	UXETUOANHQHNHQ-DYVFJYSZSA-N	-1	0	289.375	3.095	20	30		CGEDRM
Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000356218142	393384838	/nfs/dbraw/zinc/38/48/38/393384838.db2.gz	LGQZODWQYLTKFR-ALCCZGGFSA-N	-1	0	270.313	3.192	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)o1	ZINC000679648627	543653326	/nfs/dbraw/zinc/65/33/26/543653326.db2.gz	XNIRAQDTQVFCFE-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)o1	ZINC000344590247	225112629	/nfs/dbraw/zinc/11/26/29/225112629.db2.gz	LZHMHZSNEWPVBM-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000653331203	419027196	/nfs/dbraw/zinc/02/71/96/419027196.db2.gz	OFRFKARTZAVUDA-HZPDHXFCSA-N	-1	0	299.370	3.184	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCCCCC(=O)[O-]	ZINC000659406919	418984571	/nfs/dbraw/zinc/98/45/71/418984571.db2.gz	SUIOONXMYGCMQI-KBPBESRZSA-N	-1	0	296.411	3.066	20	30		CGEDRM
Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1	ZINC000049513575	260662044	/nfs/dbraw/zinc/66/20/44/260662044.db2.gz	SYLRVXFMBANMJJ-UHFFFAOYSA-N	-1	0	295.404	3.271	20	30		CGEDRM
C=CCCOCC/N=C/c1ccc(OCCC)cc1O	ZINC000154799905	261095146	/nfs/dbraw/zinc/09/51/46/261095146.db2.gz	SCFMCYWAJNIUQA-GHRIWEEISA-N	-1	0	277.364	3.193	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1ncc(C)cc1[O-]	ZINC000337503768	262454803	/nfs/dbraw/zinc/45/48/03/262454803.db2.gz	GAJASHRYGDCINR-UHFFFAOYSA-N	-1	0	282.343	3.467	20	30		CGEDRM
C=CCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000120176740	263284097	/nfs/dbraw/zinc/28/40/97/263284097.db2.gz	GJCOAVSEKGZVNS-UHFFFAOYSA-N	-1	0	297.273	3.162	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330762882	264031787	/nfs/dbraw/zinc/03/17/87/264031787.db2.gz	PKOBHFCZZKIUIR-MNOVXSKESA-N	-1	0	292.335	3.431	20	30		CGEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2N=c1nc(C2CC2)[n-]s1	ZINC000419022316	303201483	/nfs/dbraw/zinc/20/14/83/303201483.db2.gz	ZSMPSZSBEVHJMH-AWEZNQCLSA-N	-1	0	296.399	3.199	20	30		CGEDRM
N#CCc1ccccc1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000558191568	327078142	/nfs/dbraw/zinc/07/81/42/327078142.db2.gz	ZKPCZIIVBBYTEU-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
COc1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000177587955	329187918	/nfs/dbraw/zinc/18/79/18/329187918.db2.gz	ZENOEDVIWDRZSM-VIFPVBQESA-N	-1	0	278.358	3.012	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1ccncc1O)c1ccccc1	ZINC000089487279	330385552	/nfs/dbraw/zinc/38/55/52/330385552.db2.gz	AGPWJMTVYGCYRN-GFCCVEGCSA-N	-1	0	268.316	3.086	20	30		CGEDRM
C=CCC[C@H](C(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1	ZINC000488896643	332032585	/nfs/dbraw/zinc/03/25/85/332032585.db2.gz	LGXPSQVTVWXRNC-INIZCTEOSA-N	-1	0	295.386	3.204	20	30		CGEDRM
N#CC(=C([O-])c1ncoc1C1CC1)c1nc2ccccc2o1	ZINC000551795047	334261920	/nfs/dbraw/zinc/26/19/20/334261920.db2.gz	NMNFDOJPXSNQEE-JTQLQIEISA-N	-1	0	293.282	3.183	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2scnc2C2CC2)n1	ZINC000089964339	334354373	/nfs/dbraw/zinc/35/43/73/334354373.db2.gz	RBOLUYRNWZMWHS-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2scnc2C2CC2)n1	ZINC000089964340	334354388	/nfs/dbraw/zinc/35/43/88/334354388.db2.gz	RBOLUYRNWZMWHS-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
C=CC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000194674459	336036968	/nfs/dbraw/zinc/03/69/68/336036968.db2.gz	CXRYQOREMPZFGG-UHFFFAOYSA-N	-1	0	283.730	3.223	20	30		CGEDRM
Cc1cccc2c1C/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2=O	ZINC000729148861	571879321	/nfs/dbraw/zinc/87/93/21/571879321.db2.gz	BMLRRSOIFQABTD-KPKJPENVSA-N	-1	0	295.294	3.431	20	30		CGEDRM
Cc1cccc2c1C/C(=C/c1ccoc1C(=O)[O-])C2=O	ZINC000738747950	572391077	/nfs/dbraw/zinc/39/10/77/572391077.db2.gz	MCEGMPZFTPHNTD-XFFZJAGNSA-N	-1	0	268.268	3.109	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1	ZINC000739091751	572402091	/nfs/dbraw/zinc/40/20/91/572402091.db2.gz	MGNNASOOPBOJNF-UHFFFAOYSA-N	-1	0	295.298	3.095	20	30		CGEDRM
Cn1cc(C(=O)/C=C\c2ccoc2C(=O)[O-])c2ccccc21	ZINC000739025762	572403864	/nfs/dbraw/zinc/40/38/64/572403864.db2.gz	KLPRDTAUZPMCQK-SREVYHEPSA-N	-1	0	295.294	3.366	20	30		CGEDRM
COCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C(C)C	ZINC000741450958	572409418	/nfs/dbraw/zinc/40/94/18/572409418.db2.gz	HSNCFNXCYCDTOJ-UHFFFAOYSA-N	-1	0	284.743	3.109	20	30		CGEDRM
O=C([O-])C[C@@H](/N=C\c1ccccc1O)c1ccccc1	ZINC000739627721	572421301	/nfs/dbraw/zinc/42/13/01/572421301.db2.gz	ZELBAWBPWNVTPJ-RQNDZEIBSA-N	-1	0	269.300	3.027	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Oc3c(cccc3Cl)C2=O)o1	ZINC000740123860	572433341	/nfs/dbraw/zinc/43/33/41/572433341.db2.gz	PSEIPOTXAXCIRJ-IZZDOVSWSA-N	-1	0	290.658	3.247	20	30		CGEDRM
O=C([O-])N1CCC[C@@H]1C/N=C\c1c(O)ccc2ccccc21	ZINC000740518338	572444569	/nfs/dbraw/zinc/44/45/69/572444569.db2.gz	DWKVIKFCEUJXQZ-NCUBORBFSA-N	-1	0	298.342	3.107	20	30		CGEDRM
O=C([O-])NC1CCC(N=Nc2cccc3ncccc23)CC1	ZINC000740551018	572445341	/nfs/dbraw/zinc/44/53/41/572445341.db2.gz	GEACBVZSRPOMOW-UHFFFAOYSA-N	-1	0	298.346	3.213	20	30		CGEDRM
N#C[C@H]([N-]C(=O)C(F)(F)F)c1c(Cl)cccc1Cl	ZINC000733259413	572546357	/nfs/dbraw/zinc/54/63/57/572546357.db2.gz	BFVGPBLAFCJCEC-ZETCQYMHSA-N	-1	0	297.063	3.237	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2cccc(F)c2F)c1	ZINC000743442740	572662214	/nfs/dbraw/zinc/66/22/14/572662214.db2.gz	DYBWSWGYJGOCIC-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2s1	ZINC000744016706	572697155	/nfs/dbraw/zinc/69/71/55/572697155.db2.gz	RUEGPKSBPHNEAD-SKVAFPRGSA-N	-1	0	268.341	3.439	20	30		CGEDRM
C=CC1CCN(C(=O)Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000736095925	572768296	/nfs/dbraw/zinc/76/82/96/572768296.db2.gz	DAJKEDDFJMEKKN-UHFFFAOYSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])co1)Cc1cccc(C#N)c1	ZINC000736108953	572768325	/nfs/dbraw/zinc/76/83/25/572768325.db2.gz	XOYSDSYFGCHKMQ-UHFFFAOYSA-N	-1	0	296.326	3.038	20	30		CGEDRM
Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccccc1C(=O)[O-]	ZINC000747061843	572907497	/nfs/dbraw/zinc/90/74/97/572907497.db2.gz	MUAKJEYJCSKROL-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
N#Cc1cccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c1	ZINC000748442144	572977109	/nfs/dbraw/zinc/97/71/09/572977109.db2.gz	WVAWNJVKLQWWAJ-XGXWUAJZSA-N	-1	0	282.324	3.283	20	30		CGEDRM
O=C([O-])c1cccc(NN=C2CCc3ccc(F)cc32)c1	ZINC000748778797	572983863	/nfs/dbraw/zinc/98/38/63/572983863.db2.gz	QFRDATDKXOEERK-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
C=CCOc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1	ZINC000817685961	597137559	/nfs/dbraw/zinc/13/75/59/597137559.db2.gz	TYPQOYGOPKTBLL-UHFFFAOYSA-N	-1	0	297.354	3.491	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc3c(c2)COC3)c1	ZINC000774129965	598201711	/nfs/dbraw/zinc/20/17/11/598201711.db2.gz	IEIDITQESFTTHQ-DAXSKMNVSA-N	-1	0	294.306	3.311	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc3c(c2)COC3)c1	ZINC000774129966	598201765	/nfs/dbraw/zinc/20/17/65/598201765.db2.gz	IEIDITQESFTTHQ-QPJJXVBHSA-N	-1	0	294.306	3.311	20	30		CGEDRM
C#CCOc1cccc(N[C@@H](C(=O)[O-])c2ccccc2F)c1	ZINC000825631343	600747759	/nfs/dbraw/zinc/74/77/59/600747759.db2.gz	BUXJFUSUYNWGDC-MRXNPFEDSA-N	-1	0	299.301	3.076	20	30		CGEDRM
C=C(C)[C@H]1CC=C(COC(=O)CCSCC(=O)[O-])CC1	ZINC000825642008	601194551	/nfs/dbraw/zinc/19/45/51/601194551.db2.gz	CZEOOTMAIABEBA-ZDUSSCGKSA-N	-1	0	298.404	3.040	20	30		CGEDRM
Cc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000832949325	601297862	/nfs/dbraw/zinc/29/78/62/601297862.db2.gz	USCOCJOCQWRCAO-HNNXBMFYSA-N	-1	0	266.300	3.105	20	30		CGEDRM
Cc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000832949327	601298016	/nfs/dbraw/zinc/29/80/16/601298016.db2.gz	USCOCJOCQWRCAO-OAHLLOKOSA-N	-1	0	266.300	3.105	20	30		CGEDRM
Cc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832970884	601298018	/nfs/dbraw/zinc/29/80/18/601298018.db2.gz	LJHQQLZRAWOTTC-HNNXBMFYSA-N	-1	0	266.300	3.105	20	30		CGEDRM
Cc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1C	ZINC000832963710	601332891	/nfs/dbraw/zinc/33/28/91/601332891.db2.gz	IYAIILBVNZOIEU-CLFYSBASSA-N	-1	0	269.300	3.226	20	30		CGEDRM
CC(C)(C#N)CCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000232537560	601346240	/nfs/dbraw/zinc/34/62/40/601346240.db2.gz	BNHKYENZWJWWFX-UHFFFAOYSA-N	-1	0	292.291	3.002	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000825636704	601628414	/nfs/dbraw/zinc/62/84/14/601628414.db2.gz	QCHKDNLZDMPCMI-UHFFFAOYSA-N	-1	0	283.302	3.142	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccccc2Cl)c[nH]1	ZINC000833297156	601791457	/nfs/dbraw/zinc/79/14/57/601791457.db2.gz	BRMZWSFVVOYSNR-WAYWQWQTSA-N	-1	0	275.691	3.262	20	30		CGEDRM
Cn1cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c2ccccc21	ZINC000833041816	601793039	/nfs/dbraw/zinc/79/30/39/601793039.db2.gz	ROIAYGARZCXZPX-SREVYHEPSA-N	-1	0	294.310	3.101	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/CCc3cc(F)ccc3C2=O)c[nH]1	ZINC000833298512	601794420	/nfs/dbraw/zinc/79/44/20/601794420.db2.gz	XSLQWPOTKHFTIM-WZUFQYTHSA-N	-1	0	285.274	3.065	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F	ZINC000825665241	602283705	/nfs/dbraw/zinc/28/37/05/602283705.db2.gz	XBFZHDURVQZQRV-CQSZACIVSA-N	-1	0	292.306	3.263	20	30		CGEDRM
N#Cc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000831118215	603521888	/nfs/dbraw/zinc/52/18/88/603521888.db2.gz	QKXSVODXRVTDBH-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
CC(C)[C@@H](C#N)OC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000824057998	603584701	/nfs/dbraw/zinc/58/47/01/603584701.db2.gz	UQVVAVFKZSIYHJ-LLVKDONJSA-N	-1	0	296.710	3.135	20	30		CGEDRM
Cc1cc(C)cc(N=NCC2CCN(C(=O)[O-])CC2)c1	ZINC000830004608	603858112	/nfs/dbraw/zinc/85/81/12/603858112.db2.gz	QQWZORYSSFMKQW-UHFFFAOYSA-N	-1	0	275.352	3.091	20	30		CGEDRM
C=CCC(CC=C)c1nc([C@@H](C)CN(C)C(=O)[O-])no1	ZINC000823490908	604028568	/nfs/dbraw/zinc/02/85/68/604028568.db2.gz	NOMDXZRSTBYQQM-JTQLQIEISA-N	-1	0	279.340	3.019	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cc(Cl)ccc2C)c1=O	ZINC000899362030	620669571	/nfs/dbraw/zinc/66/95/71/620669571.db2.gz	HYDYCKUSNSAMRS-LBPRGKRZSA-N	-1	0	260.724	3.010	20	30		CGEDRM
C=CCC[C@@H](Nc1ccc(C(=O)[O-])nn1)c1ccccc1	ZINC000825664860	604462846	/nfs/dbraw/zinc/46/28/46/604462846.db2.gz	OMBYXYYGEPOMNR-CYBMUJFWSA-N	-1	0	283.331	3.294	20	30		CGEDRM
C[C@H]1CC/C(=C\C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833600266	604584504	/nfs/dbraw/zinc/58/45/04/604584504.db2.gz	CVPVUMFLBYNADA-SERMCNLOSA-N	-1	0	299.326	3.046	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1ccc(C(=O)[O-])cc1	ZINC000825804827	604639998	/nfs/dbraw/zinc/63/99/98/604639998.db2.gz	XTZMMEDSFZPAEU-UHFFFAOYSA-N	-1	0	279.299	3.093	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C[C@H](C)C1	ZINC000763370544	604668451	/nfs/dbraw/zinc/66/84/51/604668451.db2.gz	QXSMCHQILLCURT-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763372140	604669090	/nfs/dbraw/zinc/66/90/90/604669090.db2.gz	UUJGNBPLWRGESW-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
CC1C=C(N=Nc2ccc(C(=O)[O-])cn2)CC(C)(C)C1	ZINC000763377746	604669262	/nfs/dbraw/zinc/66/92/62/604669262.db2.gz	WTKGNOGWMMRSCP-UHFFFAOYSA-N	-1	0	273.336	3.314	20	30		CGEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21	ZINC000828410411	604961341	/nfs/dbraw/zinc/96/13/41/604961341.db2.gz	BGZZHBKYFCAUEX-PXAZEXFGSA-N	-1	0	292.338	3.308	20	30		CGEDRM
C=C(C)COc1cccc(N[C@@H](C(=O)[O-])c2cccnc2)c1	ZINC000825647837	604999024	/nfs/dbraw/zinc/99/90/24/604999024.db2.gz	VYJCNNPBFYOCML-MRXNPFEDSA-N	-1	0	298.342	3.274	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000232490669	605008800	/nfs/dbraw/zinc/00/88/00/605008800.db2.gz	QTGZTZMOEAZRFU-UHFFFAOYSA-N	-1	0	287.359	3.181	20	30		CGEDRM
C#CCCCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000833362620	605020604	/nfs/dbraw/zinc/02/06/04/605020604.db2.gz	AXXYDDZWQHOMQL-UHFFFAOYSA-N	-1	0	280.707	3.137	20	30		CGEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(Cl)cc1	ZINC000833408070	605038360	/nfs/dbraw/zinc/03/83/60/605038360.db2.gz	VXBKLGXURLYFAE-JTQLQIEISA-N	-1	0	291.738	3.233	20	30		CGEDRM
C[C@@H]1C[C@H]1CN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605828	605156731	/nfs/dbraw/zinc/15/67/31/605156731.db2.gz	TUPNGXGMHYJKRY-SFYZADRCSA-N	-1	0	252.701	3.092	20	30		CGEDRM
N#CCc1ccc(COc2ccc(NC(=O)[O-])cc2)cc1	ZINC000833968287	605331673	/nfs/dbraw/zinc/33/16/73/605331673.db2.gz	RMMCZGOGERONJO-UHFFFAOYSA-N	-1	0	282.299	3.422	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000135311499	605396942	/nfs/dbraw/zinc/39/69/42/605396942.db2.gz	GVUQTZNORXGQJN-UHFFFAOYSA-N	-1	0	290.363	3.089	20	30		CGEDRM
C#CCCCCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000833361761	605607052	/nfs/dbraw/zinc/60/70/52/605607052.db2.gz	KIJUVLYOQWDJOQ-AWEZNQCLSA-N	-1	0	299.370	3.175	20	30		CGEDRM
C#CCCCCCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000833362124	605673133	/nfs/dbraw/zinc/67/31/33/605673133.db2.gz	ZWKGKPMDAYJWGF-HNNXBMFYSA-N	-1	0	292.306	3.078	20	30		CGEDRM
N#Cc1cccc(NCc2cccc3c2N(C(=O)[O-])CC3)c1	ZINC000833976578	605693045	/nfs/dbraw/zinc/69/30/45/605693045.db2.gz	PBEZZWATYUGPDX-UHFFFAOYSA-N	-1	0	293.326	3.211	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000890567650	617653272	/nfs/dbraw/zinc/65/32/72/617653272.db2.gz	XOKBXSULOXRLBJ-VIFPVBQESA-N	-1	0	286.158	3.490	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@H]2c2ccccc2)c1	ZINC000120836025	617814026	/nfs/dbraw/zinc/81/40/26/617814026.db2.gz	NEZUESWWBRAETR-HGHQNMJOSA-N	-1	0	282.299	3.275	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@](C)(C(=O)[O-])C2CC2)c1	ZINC000900355271	620781492	/nfs/dbraw/zinc/78/14/92/620781492.db2.gz	JWVFBZYKLZAVLU-INIZCTEOSA-N	-1	0	288.347	3.095	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(C)C(C)(C)C(=O)[O-])c1	ZINC000900355809	620782317	/nfs/dbraw/zinc/78/23/17/620782317.db2.gz	SLGTVOJHFQCXEG-UHFFFAOYSA-N	-1	0	276.336	3.047	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@](C)(CC)C(=O)[O-])c1	ZINC000900355810	620782341	/nfs/dbraw/zinc/78/23/41/620782341.db2.gz	SQKQUVITZHASMR-HNNXBMFYSA-N	-1	0	276.336	3.095	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CC=CCC1	ZINC000077880073	618217897	/nfs/dbraw/zinc/21/78/97/618217897.db2.gz	MHLLBPSCEVBZCF-OCCSQVGLSA-N	-1	0	293.388	3.390	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCc2ccccc2)c1	ZINC000022727292	618357659	/nfs/dbraw/zinc/35/76/59/618357659.db2.gz	BFZAVWIQMADUAN-SFQUDFHCSA-N	-1	0	284.315	3.352	20	30		CGEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2cccc(C#N)c2)c1	ZINC000255488020	618581819	/nfs/dbraw/zinc/58/18/19/618581819.db2.gz	WXLRNCSUZLTGRQ-VURMDHGXSA-N	-1	0	263.296	3.468	20	30		CGEDRM
CS[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179738824	618800161	/nfs/dbraw/zinc/80/01/61/618800161.db2.gz	HXOKXOVGPYYHNG-OAHLLOKOSA-N	-1	0	298.367	3.307	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000312869147	619153901	/nfs/dbraw/zinc/15/39/01/619153901.db2.gz	OJMSZHNJHMWXDW-UONOGXRCSA-N	-1	0	283.412	3.306	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)s1)C1CC1	ZINC000048518286	619502705	/nfs/dbraw/zinc/50/27/05/619502705.db2.gz	YAWLBMLIEKNFFW-BQYQJAHWSA-N	-1	0	285.390	3.058	20	30		CGEDRM
Cc1cc(F)ccc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000750938709	620093901	/nfs/dbraw/zinc/09/39/01/620093901.db2.gz	MPGDNSPGOJSSJG-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)cc1C	ZINC000073086911	625429935	/nfs/dbraw/zinc/42/99/35/625429935.db2.gz	GUKXXPXZTDUMJH-LBPRGKRZSA-N	-1	0	283.393	3.241	20	30		CGEDRM
CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000787142955	620515750	/nfs/dbraw/zinc/51/57/50/620515750.db2.gz	YWNLJGHXZZCADN-JFEKIERCSA-N	-1	0	276.214	3.060	20	30		CGEDRM
C[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCS1	ZINC000899227480	620626821	/nfs/dbraw/zinc/62/68/21/620626821.db2.gz	MDZIQGCVDVWRCV-NOVDFUDFSA-N	-1	0	280.349	3.003	20	30		CGEDRM
C[C@@H](CC(=O)[O-])n1cc(-c2ccc(C3CC3)c(C#N)c2)cn1	ZINC000901078607	620832399	/nfs/dbraw/zinc/83/23/99/620832399.db2.gz	CLKYTWBEPPQZKD-NSHDSACASA-N	-1	0	295.342	3.335	20	30		CGEDRM
O=C([O-])c1cc(C=NOC2CCCC2)sc1Cl	ZINC000901210578	620842483	/nfs/dbraw/zinc/84/24/83/620842483.db2.gz	NSVWFTAYLDWSEI-UHFFFAOYSA-N	-1	0	273.741	3.393	20	30		CGEDRM
CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(O)c(Cl)c1	ZINC000901305319	620852092	/nfs/dbraw/zinc/85/20/92/620852092.db2.gz	CBFLXVUQFUGSKL-UWVGGRQHSA-N	-1	0	296.798	3.315	20	30		CGEDRM
C=C(Cl)C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-]	ZINC000901940053	621070983	/nfs/dbraw/zinc/07/09/83/621070983.db2.gz	YNUTXZBPPDTKPQ-ZHAHWJHGSA-N	-1	0	283.755	3.088	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000909283949	622415492	/nfs/dbraw/zinc/41/54/92/622415492.db2.gz	WLCIRMQIZUDKSC-MRXNPFEDSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1	ZINC000910247963	622469463	/nfs/dbraw/zinc/46/94/63/622469463.db2.gz	ZMRFFMJLUYXZPQ-LSDHHAIUSA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000910914137	622508382	/nfs/dbraw/zinc/50/83/82/622508382.db2.gz	CILGOJFMEOTCRI-GFCCVEGCSA-N	-1	0	297.301	3.164	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000910914144	622508563	/nfs/dbraw/zinc/50/85/63/622508563.db2.gz	CILGOJFMEOTCRI-LBPRGKRZSA-N	-1	0	297.301	3.164	20	30		CGEDRM
Cc1cccc(F)c1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000769827755	625576653	/nfs/dbraw/zinc/57/66/53/625576653.db2.gz	JEPFJIHFHQNFEW-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1O	ZINC000156715286	622841222	/nfs/dbraw/zinc/84/12/22/622841222.db2.gz	HTRPAEFMRILPHB-QHHAFSJGSA-N	-1	0	288.274	3.142	20	30		CGEDRM
Cc1ncccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000156713048	622841539	/nfs/dbraw/zinc/84/15/39/622841539.db2.gz	KCIFROSXPASLPG-QPJJXVBHSA-N	-1	0	257.264	3.131	20	30		CGEDRM
CC[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000087509462	623086228	/nfs/dbraw/zinc/08/62/28/623086228.db2.gz	SACDVPXKLLPADL-QMMMGPOBSA-N	-1	0	286.253	3.100	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000170851943	623104384	/nfs/dbraw/zinc/10/43/84/623104384.db2.gz	MXQFUQZNDBNBGQ-SOFGYWHQSA-N	-1	0	272.275	3.436	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2ccccc2F)cc1	ZINC000915105731	623895856	/nfs/dbraw/zinc/89/58/56/623895856.db2.gz	BKHKZPRDNZVPLD-KTKRTIGZSA-N	-1	0	284.286	3.349	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2ccsc2)cc1	ZINC000915106474	623896140	/nfs/dbraw/zinc/89/61/40/623896140.db2.gz	SQKOEEBWNYXERC-UTCJRWHESA-N	-1	0	272.325	3.271	20	30		CGEDRM
O=C([O-])c1cc(NN=Cc2ccccc2)ccc1Cl	ZINC000916259324	624127878	/nfs/dbraw/zinc/12/78/78/624127878.db2.gz	FHPFGFIHSRBDJP-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
Cc1cccc(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000916255801	624128337	/nfs/dbraw/zinc/12/83/37/624128337.db2.gz	ALUNTNAQOHXVIL-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
CCCc1ccc(C(C)=NNc2[n-]cnc3ncnc2-3)cc1	ZINC000917555642	624287892	/nfs/dbraw/zinc/28/78/92/624287892.db2.gz	WSKGAWZFSXCFGR-UHFFFAOYSA-N	-1	0	294.362	3.142	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1CC1	ZINC000920106210	624447867	/nfs/dbraw/zinc/44/78/67/624447867.db2.gz	VAYRNEQMJJIJTM-CYBMUJFWSA-N	-1	0	280.327	3.168	20	30		CGEDRM
CSCCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000920954910	624557118	/nfs/dbraw/zinc/55/71/18/624557118.db2.gz	KDGNVADCBIWNJG-UHFFFAOYSA-N	-1	0	272.757	3.189	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1O	ZINC000170851829	624656440	/nfs/dbraw/zinc/65/64/40/624656440.db2.gz	GGXLKORDRVGTPY-GORDUTHDSA-N	-1	0	288.274	3.142	20	30		CGEDRM
O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1	ZINC000170851770	624656451	/nfs/dbraw/zinc/65/64/51/624656451.db2.gz	CMOCGDKCPOFHCB-HNQUOIGGSA-N	-1	0	293.275	3.397	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)Cc1ccc(O)c(F)c1	ZINC000838144821	626196440	/nfs/dbraw/zinc/19/64/40/626196440.db2.gz	KVXLBQVSALOUED-NSHDSACASA-N	-1	0	266.312	3.362	20	30		CGEDRM
CC(=NOCc1ccccc1)c1cccc(OCC(=O)[O-])c1	ZINC000839419787	626346714	/nfs/dbraw/zinc/34/67/14/626346714.db2.gz	LYICQRZRDULXJI-UHFFFAOYSA-N	-1	0	299.326	3.091	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000755600055	626631288	/nfs/dbraw/zinc/63/12/88/626631288.db2.gz	XICSBHKCOJKRCT-WAYWQWQTSA-N	-1	0	285.249	3.438	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1c(C)cccc1C	ZINC000756899072	626739677	/nfs/dbraw/zinc/73/96/77/626739677.db2.gz	OJKQZAXWWDIGJX-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1sccc1C	ZINC000756901221	626740195	/nfs/dbraw/zinc/74/01/95/626740195.db2.gz	LPQMBHIOQWTOQU-UHFFFAOYSA-N	-1	0	290.344	3.209	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1cc(C)ccc1C	ZINC000756901636	626740456	/nfs/dbraw/zinc/74/04/56/626740456.db2.gz	UGDINULNFJDCGJ-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
C#CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000756996085	626746018	/nfs/dbraw/zinc/74/60/18/626746018.db2.gz	OAXUMIQIEOIESM-INIZCTEOSA-N	-1	0	296.326	3.155	20	30		CGEDRM
Cc1cccc2ncc(/C=C/C(=O)c3cc(F)ccc3[O-])n21	ZINC000757466971	626780647	/nfs/dbraw/zinc/78/06/47/626780647.db2.gz	BBAZKRRRKSDZOM-SOFGYWHQSA-N	-1	0	296.301	3.384	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)c([O-])c1	ZINC000757472009	626781387	/nfs/dbraw/zinc/78/13/87/626781387.db2.gz	KMDKEGDYLAEPKF-KXFIGUGUSA-N	-1	0	289.718	3.345	20	30		CGEDRM
O=C(/C=C/c1ccc2c(c1)CCO2)c1ccc(F)cc1[O-]	ZINC000757477083	626782164	/nfs/dbraw/zinc/78/21/64/626782164.db2.gz	ZIEHLYOSRPPVJO-ORCRQEGFSA-N	-1	0	284.286	3.362	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\CCc3cc(O)ccc3C2=O)c1	ZINC000765828087	627274259	/nfs/dbraw/zinc/27/42/59/627274259.db2.gz	ZXPLVMZARMPEST-MDWZMJQESA-N	-1	0	294.306	3.303	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CC23CCCCC3)c1	ZINC000770568781	627626615	/nfs/dbraw/zinc/62/66/15/627626615.db2.gz	NKWHVEQYQRNOCX-DWKHYPNZSA-N	-1	0	274.320	3.442	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)c([O-])c1	ZINC000770572876	627627601	/nfs/dbraw/zinc/62/76/01/627627601.db2.gz	TWMPGXYKELWHDF-XVNBXDOJSA-N	-1	0	297.285	3.308	20	30		CGEDRM
N#Cc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])ccc1F	ZINC000770572298	627627626	/nfs/dbraw/zinc/62/76/26/627627626.db2.gz	NWKDCPHXCPERIW-GORDUTHDSA-N	-1	0	285.249	3.438	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])c(F)c1	ZINC000772804482	627824574	/nfs/dbraw/zinc/82/45/74/627824574.db2.gz	XKQHGPGNQXCFNG-UTCJRWHESA-N	-1	0	283.258	3.005	20	30		CGEDRM
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1C	ZINC000772988871	627838249	/nfs/dbraw/zinc/83/82/49/627838249.db2.gz	AIWHOBNHIPKPMG-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
COc1c(O)cccc1C=CC(=O)c1sccc1[O-]	ZINC000773151970	627862822	/nfs/dbraw/zinc/86/28/22/627862822.db2.gz	ZDAVFLJVXLVNDW-AATRIKPKSA-N	-1	0	276.313	3.064	20	30		CGEDRM
O=C([O-])c1ccccc1[N-][NH+]=C1CCCNc2ccccc21	ZINC000774349763	627980267	/nfs/dbraw/zinc/98/02/67/627980267.db2.gz	MAQGLPUYCWXZKU-UHFFFAOYSA-N	-1	0	295.342	3.407	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2cc(Cl)ccn2)cc1F	ZINC000777907474	628310034	/nfs/dbraw/zinc/31/00/34/628310034.db2.gz	WBQUKHRBBPVLFP-UHFFFAOYSA-N	-1	0	283.665	3.165	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCCOC1	ZINC000779753510	628426642	/nfs/dbraw/zinc/42/66/42/628426642.db2.gz	PXWKWMNDUSFYPL-JTQLQIEISA-N	-1	0	296.754	3.253	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@@](C)(c3ccccc3)C2)n1	ZINC000780187152	628460096	/nfs/dbraw/zinc/46/00/96/628460096.db2.gz	SEZOSVXGKGLPSJ-QGZVFWFLSA-N	-1	0	296.374	3.400	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccsc2)c1	ZINC000782200812	628624087	/nfs/dbraw/zinc/62/40/87/628624087.db2.gz	OAFLCTYIEIGIOT-OWOJBTEDSA-N	-1	0	264.327	3.404	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cccc3cnccc23)c1	ZINC000782892373	628665964	/nfs/dbraw/zinc/66/59/64/628665964.db2.gz	BCFNDIFGMLOBKU-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCCS2)c1	ZINC000783681312	628739052	/nfs/dbraw/zinc/73/90/52/628739052.db2.gz	CFIIFSSILAVTQP-ACLQVGRQSA-N	-1	0	280.349	3.005	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000783798312	628748202	/nfs/dbraw/zinc/74/82/02/628748202.db2.gz	FMJJIHKDXVGNAW-JGVFFNPUSA-N	-1	0	292.330	3.246	20	30		CGEDRM
Cc1nnc(N=NCC2CCC(C(C)(C)C)CC2)[n-]c1=O	ZINC000783805248	628748789	/nfs/dbraw/zinc/74/87/89/628748789.db2.gz	HRDRQFMRJSNPDO-UHFFFAOYSA-N	-1	0	291.399	3.136	20	30		CGEDRM
N#Cc1cc(C=CC(=O)c2sccc2[O-])ccc1F	ZINC000787479794	629014303	/nfs/dbraw/zinc/01/43/03/629014303.db2.gz	KRACYJDKLWSDPW-DUXPYHPUSA-N	-1	0	273.288	3.361	20	30		CGEDRM
CCCC(CCc1ccccc1)=NN[C@H](CC)C(=O)[O-]	ZINC000793054901	629405637	/nfs/dbraw/zinc/40/56/37/629405637.db2.gz	HWBCVYLARKYBDJ-OAHLLOKOSA-N	-1	0	276.380	3.228	20	30		CGEDRM
C[C@@H]1CC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000794848508	629587575	/nfs/dbraw/zinc/58/75/75/629587575.db2.gz	PMICGVHNBTZTTQ-JDTFSJQSSA-N	-1	0	262.309	3.156	20	30		CGEDRM
O=c1[n-]c(N=NC2CCC[C@@H]2CCF)nc2ccccc12	ZINC000794919301	629598686	/nfs/dbraw/zinc/59/86/86/629598686.db2.gz	VVGZXYXJVHAYLH-SNVBAGLBSA-N	-1	0	288.326	3.263	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC000864186145	629794362	/nfs/dbraw/zinc/79/43/62/629794362.db2.gz	JTFCUMWJUGHBHE-GFCCVEGCSA-N	-1	0	287.787	3.059	20	30		CGEDRM
CC[C@H]1CC[C@@H](C)CC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000797398372	629940913	/nfs/dbraw/zinc/94/09/13/629940913.db2.gz	RTTLXRRCYMAVFY-KOLCDFICSA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC[C@@H]1CC[C@@H](C)CC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000797398374	629941279	/nfs/dbraw/zinc/94/12/79/629941279.db2.gz	RTTLXRRCYMAVFY-MWLCHTKSSA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC[C@H]1CC[C@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000797402247	629941800	/nfs/dbraw/zinc/94/18/00/629941800.db2.gz	XPLPMBHNFYCXRH-QWRGUYRKSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(C)c1occc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000797748501	629979589	/nfs/dbraw/zinc/97/95/89/629979589.db2.gz	NLZMJWMWEKZTBY-UHFFFAOYSA-N	-1	0	270.288	3.233	20	30		CGEDRM
COc1ccccc1CON=C(C)c1cccc(C(=O)[O-])c1	ZINC000799117389	630145470	/nfs/dbraw/zinc/14/54/70/630145470.db2.gz	KQNUOEFRZNFZCV-UHFFFAOYSA-N	-1	0	299.326	3.334	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)oc1C	ZINC000799895496	630240882	/nfs/dbraw/zinc/24/08/82/630240882.db2.gz	CBUZWMCHFGHJFK-XQRVVYSFSA-N	-1	0	287.271	3.406	20	30		CGEDRM
CCc1cccc(C)c1NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800817942	630302511	/nfs/dbraw/zinc/30/25/11/630302511.db2.gz	ZZJXCKAFFGJFQG-UHFFFAOYSA-N	-1	0	285.347	3.338	20	30		CGEDRM
CC(C)(CCC#N)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000806550883	630565775	/nfs/dbraw/zinc/56/57/75/630565775.db2.gz	NVGRZOCPDKDKON-SXGWCWSVSA-N	-1	0	275.308	3.049	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cccc(F)c1	ZINC000812442093	631261238	/nfs/dbraw/zinc/26/12/38/631261238.db2.gz	PMSYWHFQGAZYBH-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
CCCC(N=Nc1ccccc1C(=O)[O-])c1ccccn1	ZINC000814769173	631636440	/nfs/dbraw/zinc/63/64/40/631636440.db2.gz	VAIRMSCXXRYNJX-UHFFFAOYSA-N	-1	0	283.331	3.396	20	30		CGEDRM
C[C@@H]1C(=NNCc2ccccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814813051	631647383	/nfs/dbraw/zinc/64/73/83/631647383.db2.gz	TWFXIVAFJANQJH-WDEREUQCSA-N	-1	0	294.782	3.306	20	30		CGEDRM
Cc1ccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)nc1	ZINC000814831785	631651018	/nfs/dbraw/zinc/65/10/18/631651018.db2.gz	QWMSIUDJCPIGEH-OLZOCXBDSA-N	-1	0	289.379	3.315	20	30		CGEDRM
C[C@@H]1C(=NOCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814880257	631662985	/nfs/dbraw/zinc/66/29/85/631662985.db2.gz	YCWSMBWIOOXSQZ-HTQZYQBOSA-N	-1	0	281.274	3.078	20	30		CGEDRM
C[C@@H]1C(=NNCc2ccccc2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814887701	631665768	/nfs/dbraw/zinc/66/57/68/631665768.db2.gz	KVUKNIQIFWXKPC-TZMCWYRMSA-N	-1	0	288.391	3.289	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccc(C3CCC3)cc2)nc1	ZINC000814890763	631666904	/nfs/dbraw/zinc/66/69/04/631666904.db2.gz	YKDNBIDNGGLKKY-UHFFFAOYSA-N	-1	0	295.342	3.493	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1CCOC(C)(C)C1	ZINC000814908339	631675328	/nfs/dbraw/zinc/67/53/28/631675328.db2.gz	NZQMAASPLXOFJB-CQSZACIVSA-N	-1	0	298.427	3.335	20	30		CGEDRM
CC(C)(C)C1CCN(N=C2CCC(C(=O)[O-])CC2)CC1	ZINC000814913512	631679161	/nfs/dbraw/zinc/67/91/61/631679161.db2.gz	OMNGJWJEMHMSLQ-UHFFFAOYSA-N	-1	0	280.412	3.375	20	30		CGEDRM
Cc1cccnc1N=NC1CCc2cccc(C(=O)[O-])c2C1	ZINC000814911566	631679199	/nfs/dbraw/zinc/67/91/99/631679199.db2.gz	NVCPCKSOOUZDRG-UHFFFAOYSA-N	-1	0	295.342	3.045	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1csc(C(=O)[O-])c1	ZINC000814939192	631692854	/nfs/dbraw/zinc/69/28/54/631692854.db2.gz	HMUCCOJWKKJHCC-MRVPVSSYSA-N	-1	0	255.339	3.233	20	30		CGEDRM
CC(=NOCCC1CC1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814941742	631695117	/nfs/dbraw/zinc/69/51/17/631695117.db2.gz	SJZZOCSAKXIGDB-LBPRGKRZSA-N	-1	0	291.347	3.079	20	30		CGEDRM
O=C([O-])CNN=Cc1ccc(-c2ccc(Cl)cc2)cc1	ZINC000814957026	631698109	/nfs/dbraw/zinc/69/81/09/631698109.db2.gz	SADOALBEOVEAKJ-UHFFFAOYSA-N	-1	0	288.734	3.015	20	30		CGEDRM
CCCCCC(C)=Nn1c(C(F)(F)F)n[n-]c1=S	ZINC000818222549	632298992	/nfs/dbraw/zinc/29/89/92/632298992.db2.gz	YONJMXRRPAVFIV-UHFFFAOYSA-N	-1	0	280.319	3.390	20	30		CGEDRM
C[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000819433583	632458684	/nfs/dbraw/zinc/45/86/84/632458684.db2.gz	OTKDDYZQTNILTP-CMPLNLGQSA-N	-1	0	258.321	3.029	20	30		CGEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])C(F)=C1CCC1	ZINC000819937867	632541316	/nfs/dbraw/zinc/54/13/16/632541316.db2.gz	MRTBSKDULCZTSE-LLVKDONJSA-N	-1	0	283.306	3.157	20	30		CGEDRM
C[C@H]1CCCCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000844599736	635940534	/nfs/dbraw/zinc/94/05/34/635940534.db2.gz	AINMOVZIDYYLHZ-JTQLQIEISA-N	-1	0	261.325	3.148	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCCC2(F)F)c1	ZINC000826603359	633421131	/nfs/dbraw/zinc/42/11/31/633421131.db2.gz	GHBAJRVKJLYQOZ-JTQLQIEISA-N	-1	0	280.274	3.028	20	30		CGEDRM
O=C(/C=C\c1ccc2nccnc2c1)c1ccccc1[O-]	ZINC000871661507	633815433	/nfs/dbraw/zinc/81/54/33/633815433.db2.gz	QIEROMHVNUESOW-VURMDHGXSA-N	-1	0	276.295	3.232	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])CCC1	ZINC000830327063	633850273	/nfs/dbraw/zinc/85/02/73/633850273.db2.gz	ARUXVPPFYLFTMC-UHFFFAOYSA-N	-1	0	291.322	3.419	20	30		CGEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])cc1)[C@H]1CCCCO1	ZINC000872324135	634108133	/nfs/dbraw/zinc/10/81/33/634108133.db2.gz	LPHCOOCVOVYEHJ-CQSZACIVSA-N	-1	0	290.363	3.378	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CCC[C@@H]2F)ccc1Cl	ZINC000872325095	634109547	/nfs/dbraw/zinc/10/95/47/634109547.db2.gz	CBPMLPNNIOLCHQ-JTQLQIEISA-N	-1	0	270.691	3.328	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000834660539	634210811	/nfs/dbraw/zinc/21/08/11/634210811.db2.gz	PORQIYRSUGGMTL-NSHDSACASA-N	-1	0	288.372	3.297	20	30		CGEDRM
CCC[C@@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834917016	634287333	/nfs/dbraw/zinc/28/73/33/634287333.db2.gz	ULTAGNBEAPKOAY-JTQLQIEISA-N	-1	0	284.743	3.251	20	30		CGEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834916745	634287437	/nfs/dbraw/zinc/28/74/37/634287437.db2.gz	KFXQVSKBQKDYOZ-NOZJJQNGSA-N	-1	0	298.770	3.497	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C[C@@H](C)C1	ZINC000835007014	634311922	/nfs/dbraw/zinc/31/19/22/634311922.db2.gz	ONUNATDAONALOG-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(C)CC(N=Nc1ccc(C(=O)[O-])nc1)c1ccccn1	ZINC000835007599	634312733	/nfs/dbraw/zinc/31/27/33/634312733.db2.gz	ZFQMLOBLDHWTGD-UHFFFAOYSA-N	-1	0	298.346	3.037	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCCC2CC2)cc1F	ZINC000835008586	634313605	/nfs/dbraw/zinc/31/36/05/634313605.db2.gz	HIEDCOZXMIDFAC-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(CC(F)(F)F)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009449	634314327	/nfs/dbraw/zinc/31/43/27/634314327.db2.gz	WCQOVNQGIASDHN-UHFFFAOYSA-N	-1	0	278.205	3.264	20	30		CGEDRM
O=C([O-])CNN=C1CCC[C@@H](c2ccc(Cl)cc2)C1	ZINC000841641609	635206260	/nfs/dbraw/zinc/20/62/60/635206260.db2.gz	XZGUYSQBXXHUIN-LLVKDONJSA-N	-1	0	280.755	3.028	20	30		CGEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc(C)c1F	ZINC000127136889	635520617	/nfs/dbraw/zinc/52/06/17/635520617.db2.gz	IOURYFLPKBRPTF-UHFFFAOYSA-N	-1	0	284.290	3.272	20	30		CGEDRM
C=CCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845838623	636105521	/nfs/dbraw/zinc/10/55/21/636105521.db2.gz	UDGBYNYRVKBZFL-GFCCVEGCSA-N	-1	0	287.384	3.485	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1C	ZINC000846540745	636196594	/nfs/dbraw/zinc/19/65/94/636196594.db2.gz	IUFTWJNEVGLEAQ-NSHDSACASA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	ZINC000846545337	636197821	/nfs/dbraw/zinc/19/78/21/636197821.db2.gz	NNKWKRZIDROTKZ-KCQAQPDRSA-N	-1	0	261.365	3.439	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](c1ccc(F)cc1)C(C)C	ZINC000846546820	636198009	/nfs/dbraw/zinc/19/80/09/636198009.db2.gz	GOCDJJOYXKOBTQ-BXUZGUMPSA-N	-1	0	265.328	3.188	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](OC(C)(C)C)c1ccccc1	ZINC000846550110	636199763	/nfs/dbraw/zinc/19/97/63/636199763.db2.gz	VAQTYMRLRFJNAK-GXTWGEPZSA-N	-1	0	277.364	3.165	20	30		CGEDRM
C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054264	636779247	/nfs/dbraw/zinc/77/92/47/636779247.db2.gz	MJXQFAQWGURJKV-NEPJUHHUSA-N	-1	0	287.425	3.432	20	30		CGEDRM
C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056646	636781486	/nfs/dbraw/zinc/78/14/86/636781486.db2.gz	GQDGIRMKNUWAEX-LLVKDONJSA-N	-1	0	287.425	3.432	20	30		CGEDRM
Cc1ccc(F)cc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000853393340	637833067	/nfs/dbraw/zinc/83/30/67/637833067.db2.gz	CNQRVPDAXQNCRR-WDEREUQCSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C#CCO[N-]C(=O)C(CC)(CC)c1ccc(Cl)cc1	ZINC000855603954	638222033	/nfs/dbraw/zinc/22/20/33/638222033.db2.gz	WKYOYTKMTLKMHP-UHFFFAOYSA-N	-1	0	279.767	3.079	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	ZINC000856034175	638288541	/nfs/dbraw/zinc/28/85/41/638288541.db2.gz	BFFVRJRTMMVYGJ-LLVKDONJSA-N	-1	0	291.244	3.340	20	30		CGEDRM
Cc1cocc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000860853202	639443775	/nfs/dbraw/zinc/44/37/75/639443775.db2.gz	GEINDLATPJTAMZ-AWEZNQCLSA-N	-1	0	293.322	3.211	20	30		CGEDRM
CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1nccs1	ZINC000078022736	640279539	/nfs/dbraw/zinc/27/95/39/640279539.db2.gz	FYGOIOARRFJIAP-UXYFDLPDSA-N	-1	0	291.332	3.327	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(F)c2)c1	ZINC000254713809	640913413	/nfs/dbraw/zinc/91/34/13/640913413.db2.gz	PYSYPRHAWSGTPJ-UHFFFAOYSA-N	-1	0	260.224	3.190	20	30		CGEDRM
N#C[C@@H]1CCCCN1Cc1cc([O-])c(Cl)c(F)c1F	ZINC001250409215	805600695	/nfs/dbraw/zinc/60/06/95/805600695.db2.gz	SMERWNNHSQETKO-VIFPVBQESA-N	-1	0	286.709	3.202	20	30		CGEDRM
N#Cc1cc(-c2cc([O-])c(F)c(F)c2F)ccc1F	ZINC001250637322	805742359	/nfs/dbraw/zinc/74/23/59/805742359.db2.gz	AFEMWGJIICVCDZ-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000046929453	798891074	/nfs/dbraw/zinc/89/10/74/798891074.db2.gz	TXIVWIJTFLFWQZ-UHFFFAOYSA-N	-1	0	297.376	3.115	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1C	ZINC000046929768	798891176	/nfs/dbraw/zinc/89/11/76/798891176.db2.gz	MXCDDTBRUZZOGZ-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
C[C@@H](Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176406792	799096649	/nfs/dbraw/zinc/09/66/49/799096649.db2.gz	YIXIDKNJLFREDN-LBPRGKRZSA-N	-1	0	280.327	3.081	20	30		CGEDRM
O=C([O-])COc1cccc(C(=O)/C=C\c2cccs2)c1	ZINC000213720095	799133930	/nfs/dbraw/zinc/13/39/30/799133930.db2.gz	UVXAJUZFHNBPTC-SREVYHEPSA-N	-1	0	288.324	3.108	20	30		CGEDRM
O=C(/C=C\c1cnc2ccccn12)c1cc(F)ccc1[O-]	ZINC000254931184	799169050	/nfs/dbraw/zinc/16/90/50/799169050.db2.gz	TYNJLYSMLLSMGY-ALCCZGGFSA-N	-1	0	282.274	3.075	20	30		CGEDRM
O=C(C=Cc1cccc([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000588495729	799701451	/nfs/dbraw/zinc/70/14/51/799701451.db2.gz	BNMSHDAZVHWQSZ-PLNGDYQASA-N	-1	0	275.285	3.258	20	30		CGEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)cs1	ZINC001256260018	806854112	/nfs/dbraw/zinc/85/41/12/806854112.db2.gz	XUHPDXUKMABILZ-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
CCCCCCc1nnc(CCC(=O)C2=CC=C[CH]2)o1	ZINC001256368669	806872536	/nfs/dbraw/zinc/87/25/36/806872536.db2.gz	VNFCIPMADZZEJJ-UHFFFAOYSA-N	-1	0	273.356	3.395	20	30		CGEDRM
CCCCCCc1nnc(-c2cccc(C#N)c2[O-])o1	ZINC001256396158	806881223	/nfs/dbraw/zinc/88/12/23/806881223.db2.gz	WXQIHIVWSZVHGE-UHFFFAOYSA-N	-1	0	271.320	3.437	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1F	ZINC001116373997	802338396	/nfs/dbraw/zinc/33/83/96/802338396.db2.gz	PVEJLUAWURQTJV-XVNBXDOJSA-N	-1	0	288.274	3.142	20	30		CGEDRM
N#Cc1cccc(-c2cccc(OCCC(=O)[O-])c2)c1	ZINC001122758591	802886155	/nfs/dbraw/zinc/88/61/55/802886155.db2.gz	VIYORCFCFOLOQY-UHFFFAOYSA-N	-1	0	267.284	3.079	20	30		CGEDRM
N#CCN(C(=O)c1cccc(Cl)c1[O-])c1ccccc1	ZINC001125626310	803070103	/nfs/dbraw/zinc/07/01/03/803070103.db2.gz	RBPROPDMEOXUHO-UHFFFAOYSA-N	-1	0	286.718	3.216	20	30		CGEDRM
COc1nc(-c2c([O-])cccc2Cl)c(F)cc1C#N	ZINC001244035829	803154203	/nfs/dbraw/zinc/15/42/03/803154203.db2.gz	NPOAZORYQLAFHE-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cnc(-c2c([O-])cccc2Cl)c(/C=N/O)c1	ZINC001244037206	803154623	/nfs/dbraw/zinc/15/46/23/803154623.db2.gz	PSJHUVNEXXKKIU-FRKPEAEDSA-N	-1	0	262.696	3.224	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cc(F)c([O-])c(F)c3)c2c1	ZINC001244093114	803180936	/nfs/dbraw/zinc/18/09/36/803180936.db2.gz	UENJESSURAJKIG-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(F)c([O-])c(F)c2)n1	ZINC001244093131	803181115	/nfs/dbraw/zinc/18/11/15/803181115.db2.gz	UMBOWGRBJQCBJB-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
C=CCOc1ccc(-c2cc(F)c([O-])c(F)c2)nc1C#N	ZINC001244095155	803182323	/nfs/dbraw/zinc/18/23/23/803182323.db2.gz	OENIXAWIWCQSSZ-UHFFFAOYSA-N	-1	0	288.253	3.169	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cc(F)c([O-])c(F)c3)c12	ZINC001244096141	803183525	/nfs/dbraw/zinc/18/35/25/803183525.db2.gz	FZMKOAQGOWQEKF-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(F)c([O-])c(F)c2)n1	ZINC001244096068	803183880	/nfs/dbraw/zinc/18/38/80/803183880.db2.gz	VKYSMAFOZWAAGC-UHFFFAOYSA-N	-1	0	260.243	3.107	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(F)c([O-])c(F)c1	ZINC001244097130	803185271	/nfs/dbraw/zinc/18/52/71/803185271.db2.gz	NDFBDYYTPXKBBQ-UHFFFAOYSA-N	-1	0	271.226	3.037	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(F)c(C#N)c(F)c2)c1	ZINC001244176912	803227030	/nfs/dbraw/zinc/22/70/30/803227030.db2.gz	SJMCTEGUTKUCIN-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccc(C)nc1C#N	ZINC001244421353	803361837	/nfs/dbraw/zinc/36/18/37/803361837.db2.gz	SQJROFSHHJZSLJ-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
N#Cc1cc(-c2cc(F)c([O-])c(Cl)c2)nc(C2CC2)n1	ZINC001244501475	803407122	/nfs/dbraw/zinc/40/71/22/803407122.db2.gz	ZDSKIFLAKHAKFT-UHFFFAOYSA-N	-1	0	289.697	3.391	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)c([O-])c(Cl)c2)nc1	ZINC001244501153	803408055	/nfs/dbraw/zinc/40/80/55/803408055.db2.gz	XAOBUJQONBQDCE-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
CC#Cc1cncc(-c2cc(C)c(C(=O)[O-])c(C)c2)c1	ZINC001244949341	803587896	/nfs/dbraw/zinc/58/78/96/803587896.db2.gz	YHVCKBWOZJYYJZ-UHFFFAOYSA-N	-1	0	265.312	3.435	20	30		CGEDRM
N#Cc1cccc(-c2ccccc2/C=C/C(=O)[O-])c1F	ZINC001245068355	803630008	/nfs/dbraw/zinc/63/00/08/803630008.db2.gz	GQZHNCLADNBZMG-CMDGGOBGSA-N	-1	0	267.259	3.462	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N/O)c(F)c1	ZINC001245301508	803696298	/nfs/dbraw/zinc/69/62/98/803696298.db2.gz	UXFSFQISCFTJFF-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])cc3Cl)ccc12	ZINC001245372148	803717975	/nfs/dbraw/zinc/71/79/75/803717975.db2.gz	GEQOLEYUZHXUMA-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
N#CC1(c2ccnc(-c3c([O-])cccc3F)c2)CC1	ZINC001245654380	803886804	/nfs/dbraw/zinc/88/68/04/803886804.db2.gz	OMSJVCYLDNOADO-UHFFFAOYSA-N	-1	0	254.264	3.148	20	30		CGEDRM
N#Cc1ccnc(-c2c(F)ccc([O-])c2Cl)c1F	ZINC001245827482	803983340	/nfs/dbraw/zinc/98/33/40/803983340.db2.gz	MCEIUCBHOTUOHS-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cccc(-c2cc(=O)n(Cc3cccc(C#N)c3)[n-]2)c1	ZINC001245918712	804046247	/nfs/dbraw/zinc/04/62/47/804046247.db2.gz	YNDZPIDNKAZYIS-UHFFFAOYSA-N	-1	0	289.338	3.484	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(C3CC(F)(F)C3)cc2=O)c1	ZINC001245925501	804053346	/nfs/dbraw/zinc/05/33/46/804053346.db2.gz	XSVQKFZIIZCDFI-UHFFFAOYSA-N	-1	0	289.285	3.021	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2cccc3c2CCCC3)[nH]1	ZINC001245951951	804086422	/nfs/dbraw/zinc/08/64/22/804086422.db2.gz	LRQQQLLSIBMFKH-UHFFFAOYSA-N	-1	0	266.344	3.023	20	30		CGEDRM
Cc1nc(C#N)c([N-]c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC001248597870	804958558	/nfs/dbraw/zinc/95/85/58/804958558.db2.gz	BPCOPOMLPGDOBS-UHFFFAOYSA-N	-1	0	278.655	3.160	20	30		CGEDRM
COc1cc(C(=O)[N-]c2sc3ccccc3c2C#N)on1	ZINC001146932827	805098293	/nfs/dbraw/zinc/09/82/93/805098293.db2.gz	YAPWLXLCFWXFIU-UHFFFAOYSA-N	-1	0	299.311	3.022	20	30		CGEDRM
CC(=O)Nc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001173833576	808698111	/nfs/dbraw/zinc/69/81/11/808698111.db2.gz	FPDWUSBUPIHIOL-UHFFFAOYSA-N	-1	0	285.278	3.105	20	30		CGEDRM
COc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1OC	ZINC001174018508	808826233	/nfs/dbraw/zinc/82/62/33/808826233.db2.gz	GOIJHIBZRSDOQO-UHFFFAOYSA-N	-1	0	288.278	3.164	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C)c1	ZINC001174023483	808829843	/nfs/dbraw/zinc/82/98/43/808829843.db2.gz	HJQCJSKCMZTAFH-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
COc1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001174211123	808902643	/nfs/dbraw/zinc/90/26/43/808902643.db2.gz	QYWZKHKEXJMOOF-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1cc(Nc2ccc([N+](=O)[O-])cc2)c([O-])cc1F	ZINC001174480866	809036257	/nfs/dbraw/zinc/03/62/57/809036257.db2.gz	QONVIDBUBGQVMM-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
Cc1nsc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001174495508	809042560	/nfs/dbraw/zinc/04/25/60/809042560.db2.gz	SQZYRJHNQDJXBH-AATRIKPKSA-N	-1	0	285.328	3.165	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174495415	809042618	/nfs/dbraw/zinc/04/26/18/809042618.db2.gz	QCUHBBXASFMUPZ-AATRIKPKSA-N	-1	0	279.299	3.103	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174952031	809212298	/nfs/dbraw/zinc/21/22/98/809212298.db2.gz	KJINQSZHURKYBN-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953679	809213159	/nfs/dbraw/zinc/21/31/59/809213159.db2.gz	XTCGJZJTJQZHEN-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1coc(Nc2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001175158366	809292340	/nfs/dbraw/zinc/29/23/40/809292340.db2.gz	MPDBTERTBLZFGL-UHFFFAOYSA-N	-1	0	260.224	3.041	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175158878	809292511	/nfs/dbraw/zinc/29/25/11/809292511.db2.gz	ZQNYHANONIMOID-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
CC(=O)c1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175275936	809336229	/nfs/dbraw/zinc/33/62/29/809336229.db2.gz	VWSPDFJKTUXFCN-UHFFFAOYSA-N	-1	0	288.253	3.488	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175335151	809360001	/nfs/dbraw/zinc/36/00/01/809360001.db2.gz	VZIKYVXYFXYQLS-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1cc(Nc2ccc(N)c(C#N)c2)ccc1[S-]	ZINC001213443349	815282998	/nfs/dbraw/zinc/28/29/98/815282998.db2.gz	GOGQPLLCMYGTCU-UHFFFAOYSA-N	-1	0	271.345	3.181	20	30		CGEDRM
Cn1cc2ccc(Nc3cc(C#N)c(F)cc3[O-])cc2n1	ZINC001175617292	809475283	/nfs/dbraw/zinc/47/52/83/809475283.db2.gz	DLDDCCXOEJIOOK-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
N#Cc1cc(Nc2cncc(C(=O)[O-])c2)ccc1Cl	ZINC001175841441	809553283	/nfs/dbraw/zinc/55/32/83/809553283.db2.gz	FVTBAHHIOYAXBJ-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	ZINC001300210182	809564131	/nfs/dbraw/zinc/56/41/31/809564131.db2.gz	CGFDBEVQAUXNJI-STQMWFEESA-N	-1	0	291.391	3.374	20	30		CGEDRM
N#Cc1c([O-])csc1NC=CCc1ccccc1	ZINC001176217090	809648153	/nfs/dbraw/zinc/64/81/53/809648153.db2.gz	YYKISOZHADOEPV-XBXARRHUSA-N	-1	0	256.330	3.494	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1csc(C(=O)[O-])c1	ZINC001176441293	809699302	/nfs/dbraw/zinc/69/93/02/809699302.db2.gz	SPJYNOQUZVTCNC-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001176592919	809726556	/nfs/dbraw/zinc/72/65/56/809726556.db2.gz	PSKFJRLECJMGJS-BJMVGYQFSA-N	-1	0	264.284	3.400	20	30		CGEDRM
Cc1cc(Nc2c(F)cc(F)c([O-])c2F)cnc1C#N	ZINC001176663439	809737238	/nfs/dbraw/zinc/73/72/38/809737238.db2.gz	KCUWABTVLRUEFL-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213623648	815312588	/nfs/dbraw/zinc/31/25/88/815312588.db2.gz	XZLBXMDSAMJRFH-UHFFFAOYSA-N	-1	0	281.315	3.023	20	30		CGEDRM
N#CCc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC001176679513	809741264	/nfs/dbraw/zinc/74/12/64/809741264.db2.gz	ICIURYYORSUEJU-UHFFFAOYSA-N	-1	0	297.270	3.103	20	30		CGEDRM
C#Cc1ccc(NC(=O)Cc2ccc([S-])cc2)cc1F	ZINC001183187909	810139123	/nfs/dbraw/zinc/13/91/23/810139123.db2.gz	QLTNBDARAMKFON-UHFFFAOYSA-N	-1	0	285.343	3.277	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc2ccncc2c1	ZINC001184244793	810185268	/nfs/dbraw/zinc/18/52/68/810185268.db2.gz	FILYJSWNCIDJJM-UHFFFAOYSA-N	-1	0	291.330	3.223	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1occ(C)c1C#N	ZINC001214273663	815393330	/nfs/dbraw/zinc/39/33/30/815393330.db2.gz	KQHVUBVFTUOLSV-UHFFFAOYSA-N	-1	0	286.287	3.300	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2ccc([O-])c(F)c2F)cc1F	ZINC001192841445	810823626	/nfs/dbraw/zinc/82/36/26/810823626.db2.gz	MZCSJEQJIHHZLH-UHFFFAOYSA-N	-1	0	291.228	3.043	20	30		CGEDRM
CC(C)(C)CC(C)(C)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515984	810901939	/nfs/dbraw/zinc/90/19/39/810901939.db2.gz	WQYJVSOQTYMVGF-UHFFFAOYSA-N	-1	0	274.364	3.208	20	30		CGEDRM
C[C@H]1C[C@H](NC(=O)c2ccc([O-])c(C#N)c2)CC(C)(C)C1	ZINC001193516127	810902184	/nfs/dbraw/zinc/90/21/84/810902184.db2.gz	ZSFBEJWUHFXTFI-FZMZJTMJSA-N	-1	0	286.375	3.208	20	30		CGEDRM
Cc1ccccc1C(C)(C)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658645	810929844	/nfs/dbraw/zinc/92/98/44/810929844.db2.gz	COCCMVKZVDQKJQ-UHFFFAOYSA-N	-1	0	294.354	3.237	20	30		CGEDRM
C=CCNC(=S)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC001200292391	811670771	/nfs/dbraw/zinc/67/07/71/811670771.db2.gz	HVPQKQXWNDOTRW-UHFFFAOYSA-N	-1	0	277.176	3.171	20	30		CGEDRM
CC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C#N)c1	ZINC001201224658	811802027	/nfs/dbraw/zinc/80/20/27/811802027.db2.gz	PDWTZOWEIUCOJA-UHFFFAOYSA-N	-1	0	297.270	3.118	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215278783	815501945	/nfs/dbraw/zinc/50/19/45/815501945.db2.gz	KHNBDPBCGVDJCB-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])cc2F)ccc1F	ZINC001203293356	812297263	/nfs/dbraw/zinc/29/72/63/812297263.db2.gz	ZJMFGVFYMQRQRX-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#CCc1ccccc1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215614317	815548294	/nfs/dbraw/zinc/54/82/94/815548294.db2.gz	ZREQIMCZWDQZIN-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(F)c(C(=O)[O-])c3F)c1-2	ZINC001205069446	812846620	/nfs/dbraw/zinc/84/66/20/812846620.db2.gz	LKMZVRUCMDTTIX-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(F)c(C(=O)[O-])c2F)cc1F	ZINC001205095265	812861391	/nfs/dbraw/zinc/86/13/91/812861391.db2.gz	GFMCUYKZMYAPTD-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
N#CC1(c2ccnc(-c3csc(C(=O)[O-])c3)c2)CC1	ZINC001206273095	813267344	/nfs/dbraw/zinc/26/73/44/813267344.db2.gz	WPHFWZIHWXBXLO-UHFFFAOYSA-N	-1	0	270.313	3.063	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001209432421	814033741	/nfs/dbraw/zinc/03/37/41/814033741.db2.gz	YICCPKOEOXZAEC-UHFFFAOYSA-N	-1	0	283.262	3.027	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)cc(C(=O)[O-])c2)cc(F)c1F	ZINC001209890105	814189652	/nfs/dbraw/zinc/18/96/52/814189652.db2.gz	AVONBWKZQWVJPB-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209893449	814191823	/nfs/dbraw/zinc/19/18/23/814191823.db2.gz	HXCHRWUIIKIQBX-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
COc1ccc(Nc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC001209901575	814194332	/nfs/dbraw/zinc/19/43/32/814194332.db2.gz	ZGPBOVQWFUTRFY-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1ccc(Nc2cccc(C#N)c2F)cc1C(=O)[O-]	ZINC001209903233	814195424	/nfs/dbraw/zinc/19/54/24/814195424.db2.gz	RKGXGQXDAAUMFQ-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1cc(Nc2ccc(OC)c(C(=O)[O-])c2)ccc1F	ZINC001209903430	814195579	/nfs/dbraw/zinc/19/55/79/814195579.db2.gz	MZNIRCXRVZVWSO-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
CC(=O)c1ccc(Nc2cccc(CC(=O)[O-])c2)c(C#N)c1	ZINC001210075366	814275771	/nfs/dbraw/zinc/27/57/71/814275771.db2.gz	XRYUWCCQESLULD-UHFFFAOYSA-N	-1	0	294.310	3.132	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cnccc1C(F)(F)F	ZINC001210093067	814283280	/nfs/dbraw/zinc/28/32/80/814283280.db2.gz	IFSFNOBYVSLEOU-UHFFFAOYSA-N	-1	0	285.250	3.483	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(Cl)c1O	ZINC001210220498	814348240	/nfs/dbraw/zinc/34/82/40/814348240.db2.gz	YBQKUBWTUQPBKY-UHFFFAOYSA-N	-1	0	266.709	3.428	20	30		CGEDRM
N#Cc1cc(N)c(Nc2cccc(Cl)c2[O-])cc1C#N	ZINC001210223204	814350973	/nfs/dbraw/zinc/35/09/73/814350973.db2.gz	OAIGCUXKVZMQHP-UHFFFAOYSA-N	-1	0	284.706	3.115	20	30		CGEDRM
C#CCOc1ccc(Nc2cc(C(=O)[O-])ccc2OC)cc1	ZINC001210259026	814370974	/nfs/dbraw/zinc/37/09/74/814370974.db2.gz	POJOCPKOUZMEGP-UHFFFAOYSA-N	-1	0	297.310	3.149	20	30		CGEDRM
N#Cc1cc(Nc2cccc([N+](=O)[O-])c2F)c([O-])cc1F	ZINC001210386299	814437247	/nfs/dbraw/zinc/43/72/47/814437247.db2.gz	SZABMGDMSXVTMJ-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C#N)c1	ZINC001210397514	814444535	/nfs/dbraw/zinc/44/45/35/814444535.db2.gz	DMLGJDYINWXEHL-UHFFFAOYSA-N	-1	0	297.270	3.118	20	30		CGEDRM
Cc1nc(Nc2cccc([O-])c2Cl)c(C#N)cc1C#N	ZINC001210851816	814650445	/nfs/dbraw/zinc/65/04/45/814650445.db2.gz	MBHMCVNMUFRYOF-UHFFFAOYSA-N	-1	0	284.706	3.236	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccccc2C(=O)[O-])cc1F	ZINC001210968272	814694867	/nfs/dbraw/zinc/69/48/67/814694867.db2.gz	CSSJUFBQSAQCRJ-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2OC)cc1C#N	ZINC001211037593	814715143	/nfs/dbraw/zinc/71/51/43/814715143.db2.gz	NQXFNFBJNMAQDB-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1cc(Nc2cccc(Cl)c2N)c([O-])cc1F	ZINC001216529373	815852456	/nfs/dbraw/zinc/85/24/56/815852456.db2.gz	RUCXJGPRXZATSZ-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)ccc1[O-]	ZINC001216969578	815904277	/nfs/dbraw/zinc/90/42/77/815904277.db2.gz	HDBPXUHHHLCPBG-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1nc(-c2ccccc2C(=O)[O-])ccc1C(F)(F)F	ZINC001242877274	823161430	/nfs/dbraw/zinc/16/14/30/823161430.db2.gz	BGMZAQVNMQLGTD-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccccc1C(=O)[O-]	ZINC001242879301	823162566	/nfs/dbraw/zinc/16/25/66/823162566.db2.gz	ZGWUDWDATLHEKC-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccccc2C(=O)[O-])c1F	ZINC001242880772	823163429	/nfs/dbraw/zinc/16/34/29/823163429.db2.gz	MARCCMXVSGHVBC-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
Cc1cc(C#N)c(-c2c(F)cc(C(=O)[O-])cc2F)nc1C	ZINC001222379790	816423848	/nfs/dbraw/zinc/42/38/48/816423848.db2.gz	HMZNUHPKTSDOHD-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#Cc1cc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)ccn1	ZINC001222610393	816477738	/nfs/dbraw/zinc/47/77/38/816477738.db2.gz	KILAXSPCOOEVLI-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
CC#CC[C@@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223890996	816698952	/nfs/dbraw/zinc/69/89/52/816698952.db2.gz	BAFKXJLBEGMMEO-WGKGOADCSA-N	-1	0	291.347	3.048	20	30		CGEDRM
CC[C@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)C	ZINC001223891783	816698964	/nfs/dbraw/zinc/69/89/64/816698964.db2.gz	TYTOJGACRBJTRP-PVEMMZBWSA-N	-1	0	281.352	3.291	20	30		CGEDRM
C=C[C@H](CCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891562	816699340	/nfs/dbraw/zinc/69/93/40/816699340.db2.gz	NCVOPPSEOWSDTH-YZSSSTSJSA-N	-1	0	279.336	3.211	20	30		CGEDRM
CCCCCCCC[C@H](CC)OCCS(=O)(=O)[O-]	ZINC001224572012	816828199	/nfs/dbraw/zinc/82/81/99/816828199.db2.gz	QPPLSXRTKXQTJB-ZDUSSCGKSA-N	-1	0	280.430	3.420	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@H](c2ccccc2)C2CC2)[nH]1	ZINC001225467496	817061032	/nfs/dbraw/zinc/06/10/32/817061032.db2.gz	RRCRQUISNICRIA-MRXNPFEDSA-N	-1	0	280.327	3.497	20	30		CGEDRM
C=CC[C@H](CCC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225492665	817072928	/nfs/dbraw/zinc/07/29/28/817072928.db2.gz	ZMIUKSVSKASHQR-LLVKDONJSA-N	-1	0	251.282	3.424	20	30		CGEDRM
N#C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F	ZINC001225495120	817074344	/nfs/dbraw/zinc/07/43/44/817074344.db2.gz	ZEWPKUKRZSEIBN-CQSZACIVSA-N	-1	0	288.234	3.083	20	30		CGEDRM
C=CCOCC(COCC=C)Oc1ccccc1[S-]	ZINC001225583757	817101275	/nfs/dbraw/zinc/10/12/75/817101275.db2.gz	JOEQZULNTXVGPX-UHFFFAOYSA-N	-1	0	280.389	3.128	20	30		CGEDRM
CCC[C@@H](C)[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008147	817247390	/nfs/dbraw/zinc/24/73/90/817247390.db2.gz	FKDSSCRBJOQHGU-BXKDBHETSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CCCCC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008661	817247527	/nfs/dbraw/zinc/24/75/27/817247527.db2.gz	LKAVLVNZDPGUGS-VIFPVBQESA-N	-1	0	252.289	3.146	20	30		CGEDRM
O/N=C/c1ccnc(O[C@H]2CCc3ccc(Cl)cc32)n1	ZINC001226254963	817312571	/nfs/dbraw/zinc/31/25/71/817312571.db2.gz	GAQBLFJJXXUMNF-TVYFDWKESA-N	-1	0	289.722	3.004	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1n[n-]c(=O)cc1Br	ZINC001226850680	817483157	/nfs/dbraw/zinc/48/31/57/817483157.db2.gz	VWDJJEKRCJEXBZ-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(CC#N)c(C#N)c2)c1	ZINC001243182124	823277841	/nfs/dbraw/zinc/27/78/41/823277841.db2.gz	HRAPBMAUKZWLQI-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
Cc1cc(-c2cc(/C=N/O)ccc2F)ccc1C(=O)[O-]	ZINC001243215471	823296363	/nfs/dbraw/zinc/29/63/63/823296363.db2.gz	QSXPLZKDUQKQCG-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1cccc(-c2nn[nH]n2)c1	ZINC001231117831	818034208	/nfs/dbraw/zinc/03/42/08/818034208.db2.gz	HMYIKYMQXWPJSF-ZDUSSCGKSA-N	-1	0	272.352	3.380	20	30		CGEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](CC#N)c2ccccc2)[n-]1	ZINC001231263343	818066660	/nfs/dbraw/zinc/06/66/60/818066660.db2.gz	JGSFKTVPASEHBE-CYBMUJFWSA-N	-1	0	299.286	3.038	20	30		CGEDRM
N#Cc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)nc(C2CC2)n1	ZINC001243323541	823347800	/nfs/dbraw/zinc/34/78/00/823347800.db2.gz	GBUILMCPEVHBEE-UHFFFAOYSA-N	-1	0	299.717	3.244	20	30		CGEDRM
COc1cc(/C=N/O)ccc1O[C@H]1CCOc2ccccc21	ZINC001233801608	818706905	/nfs/dbraw/zinc/70/69/05/818706905.db2.gz	BNHYBYBXEJWIBL-LZNAANCOSA-N	-1	0	299.326	3.406	20	30		CGEDRM
COc1cc(/C=N/O)ccc1O[C@@H]1CCOc2ccccc21	ZINC001233801603	818707677	/nfs/dbraw/zinc/70/76/77/818707677.db2.gz	BNHYBYBXEJWIBL-CLXYIWAZSA-N	-1	0	299.326	3.406	20	30		CGEDRM
CCC[C@@H](CC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511147	818870250	/nfs/dbraw/zinc/87/02/50/818870250.db2.gz	KJNJPDFEBSSKIO-LLVKDONJSA-N	-1	0	271.320	3.165	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(=C)C	ZINC001234513455	818871291	/nfs/dbraw/zinc/87/12/91/818871291.db2.gz	LFYYNEGSJPWSOA-CQSZACIVSA-N	-1	0	295.342	3.497	20	30		CGEDRM
CC(C)[C@@H](Oc1ccccc1C=N[O-])C(F)(F)F	ZINC001234823396	818927702	/nfs/dbraw/zinc/92/77/02/818927702.db2.gz	UBYBFZDKQWVBFZ-LLVKDONJSA-N	-1	0	261.243	3.460	20	30		CGEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F	ZINC001236054812	819289767	/nfs/dbraw/zinc/28/97/67/819289767.db2.gz	BIDDZYXGXDWEHU-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1c(Cl)c(-c2ncc(C#N)cc2F)ccc1C(=O)[O-]	ZINC001236113169	819326823	/nfs/dbraw/zinc/32/68/23/819326823.db2.gz	DFGJANHSTWNSSF-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1cnccc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236159779	819349492	/nfs/dbraw/zinc/34/94/92/819349492.db2.gz	WNSKZOAXUNLZJG-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#CCc1ccncc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236164369	819351788	/nfs/dbraw/zinc/35/17/88/819351788.db2.gz	LWRFBYKEVNBZLA-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
Cc1cc(-c2ccc(C3(C#N)CC3)cc2)cnc1C(=O)[O-]	ZINC001243424687	823401407	/nfs/dbraw/zinc/40/14/07/823401407.db2.gz	QDQHOBKNZTXEIL-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cc(F)cc(F)c2[O-])n1	ZINC001243499662	823420211	/nfs/dbraw/zinc/42/02/11/823420211.db2.gz	BQEIQSCGMKTUGU-UHFFFAOYSA-N	-1	0	293.298	3.029	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(Cl)c([O-])c2)n1	ZINC001243576713	823451161	/nfs/dbraw/zinc/45/11/61/823451161.db2.gz	TUINMPLQQNBMQS-UHFFFAOYSA-N	-1	0	276.723	3.376	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1F	ZINC001239257192	820242906	/nfs/dbraw/zinc/24/29/06/820242906.db2.gz	TUKHCXDJOJXDLL-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cc(F)ccc1[O-]	ZINC001240694540	821250695	/nfs/dbraw/zinc/25/06/95/821250695.db2.gz	XFMSRBXUOJKMOQ-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1ccc([O-])c(F)c1	ZINC001240786230	821327038	/nfs/dbraw/zinc/32/70/38/821327038.db2.gz	QOJRKQGKQHFFLV-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#CCCc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240973385	821457715	/nfs/dbraw/zinc/45/77/15/821457715.db2.gz	GZDLZUMMNSUGMD-UHFFFAOYSA-N	-1	0	265.312	3.437	20	30		CGEDRM
O=C([O-])Cc1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1	ZINC001240976629	821460456	/nfs/dbraw/zinc/46/04/56/821460456.db2.gz	UGDDNMYBADCTSZ-VLGSPTGOSA-N	-1	0	281.311	3.105	20	30		CGEDRM
N#Cc1ccc(-c2ccncc2)nc1-c1ccccc1[O-]	ZINC001241008618	821485951	/nfs/dbraw/zinc/48/59/51/821485951.db2.gz	UHUIDFKLPONFNG-UHFFFAOYSA-N	-1	0	273.295	3.388	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2ccc(C)cc2[O-])n1	ZINC001241031080	821506682	/nfs/dbraw/zinc/50/66/82/821506682.db2.gz	XORIBKXCASEHQR-UHFFFAOYSA-N	-1	0	271.345	3.060	20	30		CGEDRM
COc1nc(C)c(-c2c(F)ccc([O-])c2F)c(C)c1C#N	ZINC001241292673	821709222	/nfs/dbraw/zinc/70/92/22/821709222.db2.gz	HBWBERQKKBYGFV-UHFFFAOYSA-N	-1	0	290.269	3.230	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(C(=O)[O-])c3)nc2)CC1	ZINC001241357457	821758951	/nfs/dbraw/zinc/75/89/51/821758951.db2.gz	SIBVNGNWZUAGLD-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2)nc2ccccc12	ZINC001241358640	821760050	/nfs/dbraw/zinc/76/00/50/821760050.db2.gz	ZMKMVRCOALRXGP-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#CCc1cc(F)cc(-c2cccc(C(=O)[O-])c2)c1	ZINC001241361924	821763669	/nfs/dbraw/zinc/76/36/69/821763669.db2.gz	KMVHNUURBNFIDW-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1cc2ccccc2nc1-c1cncc(C(=O)[O-])c1	ZINC001241801152	822150229	/nfs/dbraw/zinc/15/02/29/822150229.db2.gz	ZACOPMMSWLVDOJ-UHFFFAOYSA-N	-1	0	289.294	3.061	20	30		CGEDRM
N#Cc1cc(-c2ccccc2/C=C/C(=O)[O-])ccc1O	ZINC001242565094	823035836	/nfs/dbraw/zinc/03/58/36/823035836.db2.gz	LJNBQOZRBPCWSL-SOFGYWHQSA-N	-1	0	265.268	3.029	20	30		CGEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001343369993	936496740	/nfs/dbraw/zinc/49/67/40/936496740.db2.gz	YZLIOPOHUZNQRI-NSHDSACASA-N	-1	0	272.279	3.427	20	30		CGEDRM
CC(C)c1[nH]ccc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001350354002	936989001	/nfs/dbraw/zinc/98/90/01/936989001.db2.gz	POIPZGYKRJMVFA-LLVKDONJSA-N	-1	0	289.285	3.301	20	30		CGEDRM
C#C[C@@H](CCC)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001448936081	937377235	/nfs/dbraw/zinc/37/72/35/937377235.db2.gz	OTMQFQLJMJUTNX-VIFPVBQESA-N	-1	0	286.158	3.231	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2ccc(Cl)c([O-])c2)C1	ZINC001453966546	937406453	/nfs/dbraw/zinc/40/64/53/937406453.db2.gz	PWMCLEJFSFQJBE-SNVBAGLBSA-N	-1	0	265.740	3.084	20	30		CGEDRM
Cc1ccc(COc2[n-]c(=O)ccc2C#N)c(OC(C)C)c1	ZINC001228905608	932048986	/nfs/dbraw/zinc/04/89/86/932048986.db2.gz	OTHXIVGOIPSYIH-UHFFFAOYSA-N	-1	0	298.342	3.334	20	30		CGEDRM
C#C[C@H](CC)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229798117	932485940	/nfs/dbraw/zinc/48/59/40/932485940.db2.gz	ROFIRZVZCYXVQH-GFCCVEGCSA-N	-1	0	294.306	3.442	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1nc[n-]c(=O)c1Cl	ZINC001230015265	932523123	/nfs/dbraw/zinc/52/31/23/932523123.db2.gz	UOPDHFNUFQMZNS-SECBINFHSA-N	-1	0	256.733	3.349	20	30		CGEDRM
CC(C)[C@H](C(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1	ZINC001471085418	937761451	/nfs/dbraw/zinc/76/14/51/937761451.db2.gz	CWHDNCKPBGHQGD-KRWDZBQOSA-N	-1	0	294.354	3.408	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(CC#N)cc1	ZINC001323486892	934401875	/nfs/dbraw/zinc/40/18/75/934401875.db2.gz	IFUSXMNMVNITAJ-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
Cc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cnc1Cl	ZINC001323857514	934433403	/nfs/dbraw/zinc/43/34/03/934433403.db2.gz	LSZCZETVFLWXCM-DUXPYHPUSA-N	-1	0	299.717	3.179	20	30		CGEDRM
CCCCCCN(O)C(=O)c1cccc(Cl)c1[O-]	ZINC001472621281	937778611	/nfs/dbraw/zinc/77/86/11/937778611.db2.gz	OAKBFZHGJKPKEH-UHFFFAOYSA-N	-1	0	271.744	3.457	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc2c(c1)CCC2	ZINC001329666108	935238583	/nfs/dbraw/zinc/23/85/83/935238583.db2.gz	MWPVZMOFFXDLBZ-VMPITWQZSA-N	-1	0	290.322	3.311	20	30		CGEDRM
Cc1cc(C(=O)N(O)Cc2ccc(F)cc2)oc1C	ZINC001333202877	935517257	/nfs/dbraw/zinc/51/72/57/935517257.db2.gz	KOAZTMUIOIMLOF-UHFFFAOYSA-N	-1	0	263.268	3.067	20	30		CGEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001516710459	938009513	/nfs/dbraw/zinc/00/95/13/938009513.db2.gz	LJACAWIJGVYPPJ-SECBINFHSA-N	-1	0	289.335	3.038	20	30		CGEDRM
C=CCO[N-]C(=O)C(C)(C)c1cccc2ccccc21	ZINC001556633568	938204927	/nfs/dbraw/zinc/20/49/27/938204927.db2.gz	KXFIOQYEMCSAGK-UHFFFAOYSA-N	-1	0	269.344	3.351	20	30		CGEDRM
C=CC(C)(C)CNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC001558981898	938218740	/nfs/dbraw/zinc/21/87/40/938218740.db2.gz	QMXVKTSZRGNGDU-UHFFFAOYSA-N	-1	0	271.719	3.127	20	30		CGEDRM
Cc1[nH]nc(NCc2cc(Cl)cc(Cl)c2[O-])c1C#N	ZINC001560497206	938260743	/nfs/dbraw/zinc/26/07/43/938260743.db2.gz	FSOPEIADNJQQFK-UHFFFAOYSA-N	-1	0	297.145	3.214	20	30		CGEDRM
C=C1CCC(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1	ZINC001602713170	971361336	/nfs/dbraw/zinc/36/13/36/971361336.db2.gz	OFVGWZJASADURF-JKSUJKDBSA-N	-1	0	299.370	3.162	20	30		CGEDRM
C#CCN(CC(=O)[O-])[C@@H](C)c1cc(Cl)ccc1Cl	ZINC000092491958	949163128	/nfs/dbraw/zinc/16/31/28/949163128.db2.gz	BJXOUPHLFXDFJG-VIFPVBQESA-N	-1	0	286.158	3.074	20	30		CGEDRM
CCCCCCCCC(=O)N(C)[C@H](CC)C(=O)[O-]	ZINC000105963694	949211488	/nfs/dbraw/zinc/21/14/88/949211488.db2.gz	AGECCXPYMIARTK-GFCCVEGCSA-N	-1	0	257.374	3.059	20	30		CGEDRM
C=C1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1	ZINC000382559294	971822645	/nfs/dbraw/zinc/82/26/45/971822645.db2.gz	POSKQTHNQGBDLH-UHFFFAOYSA-N	-1	0	294.738	3.222	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000383801385	971895003	/nfs/dbraw/zinc/89/50/03/971895003.db2.gz	YZGWUBOYLUZCBU-UHFFFAOYSA-N	-1	0	276.336	3.109	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000384840599	971960938	/nfs/dbraw/zinc/96/09/38/971960938.db2.gz	INTHQWTVUMYQAN-UHFFFAOYSA-N	-1	0	276.336	3.027	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1C)C(C)C	ZINC000162346865	959211157	/nfs/dbraw/zinc/21/11/57/959211157.db2.gz	JIRXIKIHNHSMET-UHFFFAOYSA-N	-1	0	276.336	3.122	20	30		CGEDRM
Cc1cc(COc2ccc(C#N)c(Cl)c2)oc1C(=O)[O-]	ZINC000226054869	959869496	/nfs/dbraw/zinc/86/94/96/959869496.db2.gz	BHBGGUWMNYWVDJ-UHFFFAOYSA-N	-1	0	291.690	3.390	20	30		CGEDRM
C#Cc1cccc(NCc2ccsc2C(=O)[O-])c1	ZINC000232423920	960266078	/nfs/dbraw/zinc/26/60/78/960266078.db2.gz	ZXRWJTMADYQZGH-UHFFFAOYSA-N	-1	0	257.314	3.040	20	30		CGEDRM
C[C@H](Sc1cc(C#N)ccn1)c1ccc(C(=O)[O-])o1	ZINC000235576553	960460654	/nfs/dbraw/zinc/46/06/54/960460654.db2.gz	FGMSPDXYARSRAQ-QMMMGPOBSA-N	-1	0	274.301	3.098	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1CNc1ccc(C#N)cc1Cl	ZINC000235834181	960509927	/nfs/dbraw/zinc/50/99/27/960509927.db2.gz	JGOQPJMGKUNTKN-UHFFFAOYSA-N	-1	0	290.706	3.423	20	30		CGEDRM
C=C(C)CCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1	ZINC001588559200	962774068	/nfs/dbraw/zinc/77/40/68/962774068.db2.gz	LAEQYLXATDUGIS-UHFFFAOYSA-N	-1	0	276.332	3.311	20	30		CGEDRM
C=C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001573345062	962925476	/nfs/dbraw/zinc/92/54/76/962925476.db2.gz	FWCFTAQNZWPUFC-HNNXBMFYSA-N	-1	0	281.311	3.293	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001573346598	962940845	/nfs/dbraw/zinc/94/08/45/962940845.db2.gz	DNVLVOPZMWFQTO-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC001588451262	963269577	/nfs/dbraw/zinc/26/95/77/963269577.db2.gz	QVORMNOGMGSSON-GRDNDAEWSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=CCC1(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)CCCC1	ZINC001588457665	963274240	/nfs/dbraw/zinc/27/42/40/963274240.db2.gz	IKIWDKXCTBHNBE-INIZCTEOSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001588458033	963274804	/nfs/dbraw/zinc/27/48/04/963274804.db2.gz	JFEWCFHEUSMBHB-ZDUSSCGKSA-N	-1	0	283.412	3.376	20	30		CGEDRM
C#Cc1ccc(NCc2cc(C(=O)[O-])cs2)cc1	ZINC001588517982	963275064	/nfs/dbraw/zinc/27/50/64/963275064.db2.gz	LQUBDKIOXDWOPN-UHFFFAOYSA-N	-1	0	257.314	3.040	20	30		CGEDRM
C=CCCC[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1	ZINC001588595117	963282059	/nfs/dbraw/zinc/28/20/59/963282059.db2.gz	YVIOJDYUJXCJMJ-ZETCQYMHSA-N	-1	0	298.803	3.133	20	30		CGEDRM
C=C(C)CN(CC)c1cc(C(F)(F)F)c(C(=O)[O-])cn1	ZINC001588567570	963287088	/nfs/dbraw/zinc/28/70/88/963287088.db2.gz	NEXDRWJAOJBGTR-UHFFFAOYSA-N	-1	0	288.269	3.201	20	30		CGEDRM
C=C[C@@H](C(=O)N[C@H](CCCCC)C(=O)[O-])c1ccccc1	ZINC001588664184	963297476	/nfs/dbraw/zinc/29/74/76/963297476.db2.gz	OAKWBPACKZJTJV-HUUCEWRRSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccsc2C(=O)[O-])CC1	ZINC001588649944	963299395	/nfs/dbraw/zinc/29/93/95/963299395.db2.gz	MXAPMGJNWLZBTI-UHFFFAOYSA-N	-1	0	265.334	3.131	20	30		CGEDRM
C=C[C@H](Sc1nccn1-c1ccc(C)c(C)c1)C(=O)[O-]	ZINC001588715460	963302036	/nfs/dbraw/zinc/30/20/36/963302036.db2.gz	XLTXRVMTZANFIR-ZDUSSCGKSA-N	-1	0	288.372	3.220	20	30		CGEDRM
C=C[C@H](Nc1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)[O-]	ZINC001588702216	963303175	/nfs/dbraw/zinc/30/31/75/963303175.db2.gz	MXQRMGFAPLIJMS-INIZCTEOSA-N	-1	0	295.338	3.340	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC001588692954	963307352	/nfs/dbraw/zinc/30/73/52/963307352.db2.gz	NPGFNODLWRUGQQ-VIFPVBQESA-N	-1	0	293.388	3.476	20	30		CGEDRM
C=CC[C@H](Sc1nc(C)c(C)n1CCCC)C(=O)[O-]	ZINC001588759705	963309150	/nfs/dbraw/zinc/30/91/50/963309150.db2.gz	ZFLLTFOLRKAZIW-LBPRGKRZSA-N	-1	0	282.409	3.421	20	30		CGEDRM
C=CC[C@@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)[O-]	ZINC001588757564	963310753	/nfs/dbraw/zinc/31/07/53/963310753.db2.gz	BCZDDXYPUHEEEX-GFCCVEGCSA-N	-1	0	274.345	3.198	20	30		CGEDRM
C=CC[C@H](SCc1cccc2cccnc21)C(=O)[O-]	ZINC001588759457	963311435	/nfs/dbraw/zinc/31/14/35/963311435.db2.gz	UCYOQSWECXJBDN-ZDUSSCGKSA-N	-1	0	273.357	3.497	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC001588743175	963312974	/nfs/dbraw/zinc/31/29/74/963312974.db2.gz	SJPGRJPGHKZANZ-SECBINFHSA-N	-1	0	283.274	3.025	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC001588785699	963314379	/nfs/dbraw/zinc/31/43/79/963314379.db2.gz	KHGFAFZRHXWQNY-CJNGLKHVSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCCC[C@@H](C)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588785922	963315355	/nfs/dbraw/zinc/31/53/55/963315355.db2.gz	KKEANBHAMRPXNH-JHJVBQTASA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=CCCC[C@@H](C)OC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588785477	963316154	/nfs/dbraw/zinc/31/61/54/963316154.db2.gz	HKSSHRBJXNRHHG-GFCCVEGCSA-N	-1	0	276.332	3.215	20	30		CGEDRM
C=CCCC[C@H](NC(=O)CC1(C=C)CCCCC1)C(=O)[O-]	ZINC001588790608	963317292	/nfs/dbraw/zinc/31/72/92/963317292.db2.gz	ZUOCXNKIGWQDND-AWEZNQCLSA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CCCCCCCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588798897	963319533	/nfs/dbraw/zinc/31/95/33/963319533.db2.gz	UORHPHXXRITPDV-PKNBQFBNSA-N	-1	0	291.347	3.244	20	30		CGEDRM
C=CCN(Cc1cccs1)Cc1ccc(C(=O)[O-])cn1	ZINC001588829247	963320356	/nfs/dbraw/zinc/32/03/56/963320356.db2.gz	LVQKBUDMLRKJAK-UHFFFAOYSA-N	-1	0	288.372	3.030	20	30		CGEDRM
C=CCCCCCn1nc(C(=O)[O-])c(Cl)c1C	ZINC001588799811	963320450	/nfs/dbraw/zinc/32/04/50/963320450.db2.gz	JZJJJZXGYKXACE-UHFFFAOYSA-N	-1	0	256.733	3.290	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000315142990	963860215	/nfs/dbraw/zinc/86/02/15/963860215.db2.gz	FNBZBXVNFHBGAC-UHFFFAOYSA-N	-1	0	290.363	3.417	20	30		CGEDRM
C[C@H](C#N)OCCSCc1cccc(C(=O)[O-])c1Cl	ZINC001589331667	963982431	/nfs/dbraw/zinc/98/24/31/963982431.db2.gz	LNSYCVWREVWDKZ-SECBINFHSA-N	-1	0	299.779	3.200	20	30		CGEDRM
C[C@H](C#N)CN(Cc1cc(C(=O)[O-])ccc1Cl)C1CC1	ZINC001589331026	963985923	/nfs/dbraw/zinc/98/59/23/963985923.db2.gz	YQRBZGZHUXNZSO-SNVBAGLBSA-N	-1	0	292.766	3.162	20	30		CGEDRM
CCCC[C@@H](SCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001595656091	982050217	/nfs/dbraw/zinc/05/02/17/982050217.db2.gz	TVCHMQGPISEPRP-CQSZACIVSA-N	-1	0	277.389	3.477	20	30		CGEDRM
CCCCCCCCC(=O)N(C)C(C)(C)CC(=O)[O-]	ZINC001595705289	982283613	/nfs/dbraw/zinc/28/36/13/982283613.db2.gz	UNMYVKVHARAKAM-UHFFFAOYSA-N	-1	0	271.401	3.449	20	30		CGEDRM
CCOc1ccccc1C=NOCc1ccc(C(=O)[O-])cc1	ZINC001597173999	987022599	/nfs/dbraw/zinc/02/25/99/987022599.db2.gz	WAPPODNWSRJYOP-UHFFFAOYSA-N	-1	0	299.326	3.334	20	30		CGEDRM
CCc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)s1	ZINC001597520113	988148158	/nfs/dbraw/zinc/14/81/58/988148158.db2.gz	OELLHUPJRHMKIJ-AATRIKPKSA-N	-1	0	276.313	3.498	20	30		CGEDRM
COCc1cccc(C=NNc2ccc(C)c(C(=O)[O-])c2)c1	ZINC001599295570	997133537	/nfs/dbraw/zinc/13/35/37/997133537.db2.gz	VNFNXAIYXMOWDN-UHFFFAOYSA-N	-1	0	298.342	3.286	20	30		CGEDRM
COc1cc(OCc2ccc(C#N)c(C)c2)ccc1C(=O)[O-]	ZINC001599456848	998202574	/nfs/dbraw/zinc/20/25/74/998202574.db2.gz	KMOQYLHISUIBNY-UHFFFAOYSA-N	-1	0	297.310	3.153	20	30		CGEDRM
N#CC1(CN=c2[n-]nc(-c3ccccc3)s2)CCCC1	ZINC000593485237	347085329	/nfs/dbraw/zinc/08/53/29/347085329.db2.gz	UPLDAXBABBLQBR-UHFFFAOYSA-N	-1	0	284.388	3.123	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000041504677	344971472	/nfs/dbraw/zinc/97/14/72/344971472.db2.gz	CWJZFCVQJPMSLV-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1cccnc1)C1CCCCCCC1	ZINC000076760990	345549199	/nfs/dbraw/zinc/54/91/99/345549199.db2.gz	XHNPRADDFGCJKF-UHFFFAOYSA-N	-1	0	296.392	3.087	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)cc1	ZINC000076762641	345549478	/nfs/dbraw/zinc/54/94/78/345549478.db2.gz	JOAPWENMTZZIFU-DHZHZOJOSA-N	-1	0	293.388	3.251	20	30		CGEDRM
N#Cc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F	ZINC000163867363	346181544	/nfs/dbraw/zinc/18/15/44/346181544.db2.gz	KAAJEALJOUKELG-SCZZXKLOSA-N	-1	0	298.264	3.242	20	30		CGEDRM
CC(C)(C)c1[n-]n(CC2(CC#N)CC2)c(=O)c1CCC#N	ZINC000596259840	347406084	/nfs/dbraw/zinc/40/60/84/347406084.db2.gz	BJKONOJLJCQNNW-UHFFFAOYSA-N	-1	0	286.379	3.036	20	30		CGEDRM
CC(C)[C@H](CNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595968042	347373490	/nfs/dbraw/zinc/37/34/90/347373490.db2.gz	DGZPZMPWVMISRX-NSHDSACASA-N	-1	0	282.290	3.265	20	30		CGEDRM
N#Cc1ccc(NCC2(C(=O)[O-])CCC2)c(C(F)(F)F)c1	ZINC000595977966	347373512	/nfs/dbraw/zinc/37/35/12/347373512.db2.gz	QPDWBBZQGAIYGQ-UHFFFAOYSA-N	-1	0	298.264	3.244	20	30		CGEDRM
C=CC(C)(C)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000600679068	347827986	/nfs/dbraw/zinc/82/79/86/347827986.db2.gz	XXHTWTYWNGOCRE-UHFFFAOYSA-N	-1	0	292.335	3.236	20	30		CGEDRM
C=CCN=c1[n-]nc(SCc2ccc(CC)cc2)s1	ZINC000604930544	348138660	/nfs/dbraw/zinc/13/86/60/348138660.db2.gz	QQWHYTFDRMCHJZ-UHFFFAOYSA-N	-1	0	291.445	3.413	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1c(-c2ccccc2)[n-][nH]c1=O	ZINC000615280113	348728685	/nfs/dbraw/zinc/72/86/85/348728685.db2.gz	AZDFJPXFPDFAPR-LLVKDONJSA-N	-1	0	285.347	3.323	20	30		CGEDRM
C=CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000630290553	350821303	/nfs/dbraw/zinc/82/13/03/350821303.db2.gz	XKWCMCIYZQZCMS-UONOGXRCSA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-]	ZINC000630322683	350823323	/nfs/dbraw/zinc/82/33/23/350823323.db2.gz	UTJCMGDDASOECP-RBSFLKMASA-N	-1	0	293.407	3.129	20	30		CGEDRM
COCc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041515651	369189773	/nfs/dbraw/zinc/18/97/73/369189773.db2.gz	RQRWUPOWBFOPPS-ZDUSSCGKSA-N	-1	0	286.356	3.088	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c(C)c1	ZINC000049513625	369405572	/nfs/dbraw/zinc/40/55/72/369405572.db2.gz	KMQGIASJPVWPOT-UHFFFAOYSA-N	-1	0	295.404	3.271	20	30		CGEDRM
Cc1cscc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000429575678	372375829	/nfs/dbraw/zinc/37/58/29/372375829.db2.gz	DSDRIOLBVXLWRG-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000430519492	372390511	/nfs/dbraw/zinc/39/05/11/372390511.db2.gz	KHIDLOKMNZOIDY-JTQLQIEISA-N	-1	0	260.318	3.097	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000430521275	372390700	/nfs/dbraw/zinc/39/07/00/372390700.db2.gz	RETJYIYUQNMYHA-NSHDSACASA-N	-1	0	279.299	3.208	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000430518966	372390868	/nfs/dbraw/zinc/39/08/68/372390868.db2.gz	HNMMKKTVRPTBFB-GFCCVEGCSA-N	-1	0	293.326	3.219	20	30		CGEDRM
C=CC(C)(C)c1nc(-c2ccc(O)c(OCC)c2)no1	ZINC000296708328	373224815	/nfs/dbraw/zinc/22/48/15/373224815.db2.gz	IBJYTQMUXXKDOW-UHFFFAOYSA-N	-1	0	274.320	3.305	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)ns1	ZINC000447511960	373440945	/nfs/dbraw/zinc/44/09/45/373440945.db2.gz	WGUZTSKAKXODIF-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
Cc1cc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1	ZINC000188355811	375201411	/nfs/dbraw/zinc/20/14/11/375201411.db2.gz	DYOQBFKDPDNUHX-UHFFFAOYSA-N	-1	0	280.327	3.441	20	30		CGEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C	ZINC000189753781	375444699	/nfs/dbraw/zinc/44/46/99/375444699.db2.gz	DYXLUAOGWRHOSK-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
CCNc1cc(C)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000191333956	375611380	/nfs/dbraw/zinc/61/13/80/375611380.db2.gz	BHTZHQAGPITYIK-UHFFFAOYSA-N	-1	0	295.342	3.256	20	30		CGEDRM
CSc1ccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000336171211	375747224	/nfs/dbraw/zinc/74/72/24/375747224.db2.gz	PTFUWQAGTTXLST-UHFFFAOYSA-N	-1	0	298.367	3.262	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000192846974	375794637	/nfs/dbraw/zinc/79/46/37/375794637.db2.gz	QULOGKWLAVYBCD-RISCZKNCSA-N	-1	0	293.338	3.060	20	30		CGEDRM
CCc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000518687134	249285067	/nfs/dbraw/zinc/28/50/67/249285067.db2.gz	OVQBSFVEBNCIIH-SOFGYWHQSA-N	-1	0	284.340	3.446	20	30		CGEDRM
CCCCCCCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000378178163	379787599	/nfs/dbraw/zinc/78/75/99/379787599.db2.gz	MZQUWFJXIQDKJC-ZDUSSCGKSA-N	-1	0	281.396	3.060	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000263236007	131286959	/nfs/dbraw/zinc/28/69/59/131286959.db2.gz	CVXYLTANZNLPEW-MJBXVCDLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1nc(C2CC2)cs1	ZINC000647371091	392710529	/nfs/dbraw/zinc/71/05/29/392710529.db2.gz	JZEOJEXMSUFGIG-VIFPVBQESA-N	-1	0	258.302	3.104	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647378361	392711496	/nfs/dbraw/zinc/71/14/96/392711496.db2.gz	RFWQNSNJKMKNGX-GFCCVEGCSA-N	-1	0	283.356	3.214	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000192870033	392862387	/nfs/dbraw/zinc/86/23/87/392862387.db2.gz	ZBEXEZCQUBCFPY-GZBFAFLISA-N	-1	0	289.375	3.167	20	30		CGEDRM
CC(C)c1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000355380766	393299478	/nfs/dbraw/zinc/29/94/78/393299478.db2.gz	GNWAJMNOOQOQHC-JTQLQIEISA-N	-1	0	271.345	3.152	20	30		CGEDRM
C=CCOc1ccccc1CN=c1[n-]nc(C(F)F)s1	ZINC000360905198	393612641	/nfs/dbraw/zinc/61/26/41/393612641.db2.gz	XEPZIIWMCCWBTO-UHFFFAOYSA-N	-1	0	297.330	3.075	20	30		CGEDRM
C#CCN(C(=O)c1cc(F)cc(Cl)c1[O-])C1CCCC1	ZINC000491717322	393697821	/nfs/dbraw/zinc/69/78/21/393697821.db2.gz	QDRVADCBILXICO-UHFFFAOYSA-N	-1	0	295.741	3.203	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1ccccc1	ZINC000685018714	544052397	/nfs/dbraw/zinc/05/23/97/544052397.db2.gz	JPYRCJSJYFMCOH-CQSZACIVSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000659166307	418962822	/nfs/dbraw/zinc/96/28/22/418962822.db2.gz	JYKCVLGFPBGIAL-XSCHDIRWSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1	ZINC000659169779	418962979	/nfs/dbraw/zinc/96/29/79/418962979.db2.gz	KDXZXHWEIMHOPJ-ZDUSSCGKSA-N	-1	0	287.359	3.122	20	30		CGEDRM
CC1(C)C(C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1(C)C	ZINC000080252511	260178782	/nfs/dbraw/zinc/17/87/82/260178782.db2.gz	CAJIRVYNWMAOGR-UHFFFAOYSA-N	-1	0	295.404	3.155	20	30		CGEDRM
CSc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188246777	270069374	/nfs/dbraw/zinc/06/93/74/270069374.db2.gz	CEDUMKVNRXWTDD-UHFFFAOYSA-N	-1	0	284.340	3.238	20	30		CGEDRM
C=CCC(F)(F)C(=O)[N-]Cc1c(F)cc(F)c(F)c1F	ZINC000294219883	328547511	/nfs/dbraw/zinc/54/75/11/328547511.db2.gz	LUJOALLIAVUMPO-UHFFFAOYSA-N	-1	0	297.198	3.071	20	30		CGEDRM
COc1ccsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000171627172	329074897	/nfs/dbraw/zinc/07/48/97/329074897.db2.gz	NDLWHCSIUJZHSR-SECBINFHSA-N	-1	0	298.323	3.388	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc3ccccc3n2)n1	ZINC000041520419	329565775	/nfs/dbraw/zinc/56/57/75/329565775.db2.gz	PFUOZUIDKYPDEU-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1F	ZINC000163805723	331115737	/nfs/dbraw/zinc/11/57/37/331115737.db2.gz	WIFHDXMHDYMISC-UHFFFAOYSA-N	-1	0	285.318	3.360	20	30		CGEDRM
C=C1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1	ZINC000576830476	335253438	/nfs/dbraw/zinc/25/34/38/335253438.db2.gz	UNMMHKSBAUPPQT-UHFFFAOYSA-N	-1	0	295.766	3.069	20	30		CGEDRM
C=CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1	ZINC000579240716	335725974	/nfs/dbraw/zinc/72/59/74/335725974.db2.gz	ADENGEZVFUZQJG-UHFFFAOYSA-N	-1	0	285.265	3.202	20	30		CGEDRM
C=CC[C@@H](CC)N=c1nc(-c2ccccc2)[n-]s1	ZINC000440637221	500579454	/nfs/dbraw/zinc/57/94/54/500579454.db2.gz	HEHDXEXHFMKUIS-GFCCVEGCSA-N	-1	0	259.378	3.394	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361543898	518194344	/nfs/dbraw/zinc/19/43/44/518194344.db2.gz	QVZWYCLAJBWJIE-CYBMUJFWSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000192836359	526928038	/nfs/dbraw/zinc/92/80/38/526928038.db2.gz	DFPGSADHIKWYRK-UHFFFAOYSA-N	-1	0	297.310	3.202	20	30		CGEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2cccc(C#N)c2C)c1	ZINC000436641123	527321302	/nfs/dbraw/zinc/32/13/02/527321302.db2.gz	SWDGZWYSLAIKHZ-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
CCCC(N=Nc1nnc(C)c(=O)[n-]1)C1CCCCC1	ZINC000727777619	571768927	/nfs/dbraw/zinc/76/89/27/571768927.db2.gz	SVGVWUDHBMMMIH-UHFFFAOYSA-N	-1	0	277.372	3.034	20	30		CGEDRM
C=CCN(C(=O)CCC(C)(C)NC(=O)[O-])c1ccccc1	ZINC000738489913	571803510	/nfs/dbraw/zinc/80/35/10/571803510.db2.gz	KYRUZUQABUMREQ-UHFFFAOYSA-N	-1	0	290.363	3.032	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1	ZINC000731565585	572416744	/nfs/dbraw/zinc/41/67/44/572416744.db2.gz	UXIQXZIEGFAICZ-KPKJPENVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2s1	ZINC000744016707	572695764	/nfs/dbraw/zinc/69/57/64/572695764.db2.gz	RUEGPKSBPHNEAD-TVRMLOFPSA-N	-1	0	268.341	3.439	20	30		CGEDRM
C=CCn1c(C)cc(C(=O)CS[C@@H](C)CC(=O)[O-])c1C	ZINC000736116961	572768928	/nfs/dbraw/zinc/76/89/28/572768928.db2.gz	GYFVPDTZWMGDKA-NSHDSACASA-N	-1	0	295.404	3.070	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2CCc3ccccc3C2)c1	ZINC000745843764	572838584	/nfs/dbraw/zinc/83/85/84/572838584.db2.gz	QPLIIVIYNGIIEV-UHFFFAOYSA-N	-1	0	280.327	3.342	20	30		CGEDRM
Cc1cccc(NN=Cc2cccc(OCCC(=O)[O-])c2)c1	ZINC000746677099	572891384	/nfs/dbraw/zinc/89/13/84/572891384.db2.gz	PWPKHMZKUVUPEH-UHFFFAOYSA-N	-1	0	298.342	3.295	20	30		CGEDRM
Cc1ccc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)cc1	ZINC000746676675	572891714	/nfs/dbraw/zinc/89/17/14/572891714.db2.gz	JCBGQRQQVQUSNB-ZDUSSCGKSA-N	-1	0	298.342	3.293	20	30		CGEDRM
CC(=NNc1ccccc1F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749611962	573024039	/nfs/dbraw/zinc/02/40/39/573024039.db2.gz	ISPLJNKURHFZGS-UHFFFAOYSA-N	-1	0	289.266	3.276	20	30		CGEDRM
N#Cc1cc(Cl)ccc1N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156623377	600006197	/nfs/dbraw/zinc/00/61/97/600006197.db2.gz	CEBMTWRJRKQTME-UHFFFAOYSA-N	-1	0	298.729	3.430	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(Nc2ccc(C#N)cn2)cc1	ZINC000826126768	600817625	/nfs/dbraw/zinc/81/76/25/600817625.db2.gz	IEWKDSYKRUAIKR-UHFFFAOYSA-N	-1	0	281.315	3.059	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1OCc1ccc(C(=O)[O-])cc1	ZINC000088153363	601096060	/nfs/dbraw/zinc/09/60/60/601096060.db2.gz	ZTXZFSJYCQOQEM-UHFFFAOYSA-N	-1	0	281.311	3.452	20	30		CGEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@@H]2c2ccco2)c1	ZINC000833074261	601319442	/nfs/dbraw/zinc/31/94/42/601319442.db2.gz	TURNDQACCBYLMB-GDBMZVCRSA-N	-1	0	296.326	3.114	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc3ccccc32)[nH]1	ZINC000833312069	601337141	/nfs/dbraw/zinc/33/71/41/601337141.db2.gz	INFWLVDHBZYZKI-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
CCCCC[C@@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000829312661	601365751	/nfs/dbraw/zinc/36/57/51/601365751.db2.gz	YGHBNAIEFFNMFH-GFQQVXNGSA-N	-1	0	283.755	3.498	20	30		CGEDRM
N#Cc1ccccc1COc1ccccc1NC(=O)[O-]	ZINC000833074900	601369119	/nfs/dbraw/zinc/36/91/19/601369119.db2.gz	FZMUNVCVGVZCKG-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
CCCCC[C@H](Nc1cccc(F)c1C#N)C(=O)[O-]	ZINC000829347499	601383419	/nfs/dbraw/zinc/38/34/19/601383419.db2.gz	KEHQOXRCHRXZKV-ZDUSSCGKSA-N	-1	0	264.300	3.143	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2cccc3c2CCCC3)c[nH]1	ZINC000814811548	601797163	/nfs/dbraw/zinc/79/71/63/601797163.db2.gz	JUAFLUMJODZWKU-UHFFFAOYSA-N	-1	0	283.331	3.038	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000825664865	602106782	/nfs/dbraw/zinc/10/67/82/602106782.db2.gz	ORHKLKABKNYINQ-UHFFFAOYSA-N	-1	0	274.320	3.483	20	30		CGEDRM
CCC(CC)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000828859098	602343826	/nfs/dbraw/zinc/34/38/26/602343826.db2.gz	OIWREEAZPUDOBL-HNNXBMFYSA-N	-1	0	289.331	3.053	20	30		CGEDRM
N#Cc1c(F)cccc1NC[C@H](NC(=O)[O-])c1ccccc1	ZINC000831109405	603203755	/nfs/dbraw/zinc/20/37/55/603203755.db2.gz	IHUTVIWWXZPODN-HNNXBMFYSA-N	-1	0	299.305	3.118	20	30		CGEDRM
O=C(/C=C\c1ccnn1C1CCC1)c1ccc(F)cc1[O-]	ZINC000899363189	620658475	/nfs/dbraw/zinc/65/84/75/620658475.db2.gz	HDUYTWHVVAYSRI-ALCCZGGFSA-N	-1	0	286.306	3.349	20	30		CGEDRM
N#Cc1ccc(COc2cccc(NC(=O)[O-])c2)cc1	ZINC000831126906	603634534	/nfs/dbraw/zinc/63/45/34/603634534.db2.gz	WMCPPSVPPMHFEK-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
O=C([O-])N1CCc2cccc(C=NNc3ccccc3)c21	ZINC000832079535	603818491	/nfs/dbraw/zinc/81/84/91/603818491.db2.gz	KVORJSVTWQYJRJ-UHFFFAOYSA-N	-1	0	281.315	3.173	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1	ZINC000823496001	603839582	/nfs/dbraw/zinc/83/95/82/603839582.db2.gz	CAXSGNCYYZCECW-UHFFFAOYSA-N	-1	0	278.308	3.080	20	30		CGEDRM
O=C(/C=C/c1ccnn1C1CCC1)c1ccccc1[O-]	ZINC000899362250	620669491	/nfs/dbraw/zinc/66/94/91/620669491.db2.gz	OCHWYDKTVQQGRM-CMDGGOBGSA-N	-1	0	268.316	3.210	20	30		CGEDRM
Cc1nc(NCC2(C#N)CCCCC2)sc1C(=O)[O-]	ZINC000900960568	620823406	/nfs/dbraw/zinc/82/34/06/620823406.db2.gz	AFHOSRQEAXCQFZ-UHFFFAOYSA-N	-1	0	279.365	3.036	20	30		CGEDRM
Cc1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1	ZINC000833753518	604547062	/nfs/dbraw/zinc/54/70/62/604547062.db2.gz	QSSCKYLZAXTXCN-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832601197	604626942	/nfs/dbraw/zinc/62/69/42/604626942.db2.gz	GJNVNFXKBNNMCA-ZHACJKMWSA-N	-1	0	282.295	3.290	20	30		CGEDRM
C=C(C)CN(CC)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000825642130	604628566	/nfs/dbraw/zinc/62/85/66/604628566.db2.gz	IJZCPUYROSMISN-UHFFFAOYSA-N	-1	0	278.308	3.004	20	30		CGEDRM
Cc1cccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1C	ZINC000763368788	604666164	/nfs/dbraw/zinc/66/61/64/604666164.db2.gz	BLMVISDHBYLURO-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
CC(C)c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763367566	604667867	/nfs/dbraw/zinc/66/78/67/604667867.db2.gz	CBBFLOBXZBSHEG-UHFFFAOYSA-N	-1	0	283.331	3.349	20	30		CGEDRM
CC1(C)Cc2occc2C(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763369814	604668447	/nfs/dbraw/zinc/66/84/47/604668447.db2.gz	XTALRKUNROZCMX-UHFFFAOYSA-N	-1	0	299.330	3.161	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc2ccccc2o1	ZINC000763368500	604670093	/nfs/dbraw/zinc/67/00/93/604670093.db2.gz	MYAREZSPRJKMMG-UHFFFAOYSA-N	-1	0	295.298	3.362	20	30		CGEDRM
N#CC1(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)CCC1	ZINC000831075639	604845376	/nfs/dbraw/zinc/84/53/76/604845376.db2.gz	BFMZSWVHKQXXMW-UHFFFAOYSA-N	-1	0	294.694	3.033	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833374061	605021818	/nfs/dbraw/zinc/02/18/18/605021818.db2.gz	PRHZYFJACORLOA-RWMBFGLXSA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=CCCC[C@@H](C)OC(=O)c1ccc(C(=O)[O-])s1	ZINC000833373824	605021793	/nfs/dbraw/zinc/02/17/93/605021793.db2.gz	DWMMWMBLHLPJKT-SECBINFHSA-N	-1	0	268.334	3.348	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(O)c(Cl)c1	ZINC000833783842	605099618	/nfs/dbraw/zinc/09/96/18/605099618.db2.gz	XOMDAKSNKQDYGN-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
C=CCC[C@H](OC(=O)c1ccc(C(=O)[O-])s1)C1CC1	ZINC000833373439	605117904	/nfs/dbraw/zinc/11/79/04/605117904.db2.gz	PEARWZCLUIWBHM-JTQLQIEISA-N	-1	0	280.345	3.348	20	30		CGEDRM
C=CCCCC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833373432	605134575	/nfs/dbraw/zinc/13/45/75/605134575.db2.gz	OSGBGQJVCAVQDR-UHFFFAOYSA-N	-1	0	266.268	3.094	20	30		CGEDRM
O=C([O-])N1CCc2cccc(/C=C\C(=O)c3ccco3)c21	ZINC000831292394	605172401	/nfs/dbraw/zinc/17/24/01/605172401.db2.gz	LREYXJIAAUQZMO-SREVYHEPSA-N	-1	0	283.283	3.216	20	30		CGEDRM
C#CCCCSCc1ccc(C(=O)[O-])cc1F	ZINC000833362157	605180800	/nfs/dbraw/zinc/18/08/00/605180800.db2.gz	BQJPYDVEPWRKGG-UHFFFAOYSA-N	-1	0	252.310	3.171	20	30		CGEDRM
N#Cc1c(Cl)cccc1S[C@@H](C(=O)[O-])C1CC1	ZINC000833761368	605264015	/nfs/dbraw/zinc/26/40/15/605264015.db2.gz	XFCTYYKUUQAWEP-LLVKDONJSA-N	-1	0	267.737	3.167	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833373851	605275744	/nfs/dbraw/zinc/27/57/44/605275744.db2.gz	GKJZOUUTFUMSBM-LLVKDONJSA-N	-1	0	276.336	3.251	20	30		CGEDRM
N#Cc1c(Cl)nsc1NCC1(C(=O)[O-])CCCCC1	ZINC000833761113	605388341	/nfs/dbraw/zinc/38/83/41/605388341.db2.gz	OKDDGGZPRVLJAI-UHFFFAOYSA-N	-1	0	299.783	3.115	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CCO2	ZINC000833387044	605594617	/nfs/dbraw/zinc/59/46/17/605594617.db2.gz	MAWSORKGYLMVIL-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
C#CCCCCCC(=O)Oc1ccc(NC(=O)[O-])cc1	ZINC000833361593	605676422	/nfs/dbraw/zinc/67/64/22/605676422.db2.gz	CIBQXMXDHYISDB-UHFFFAOYSA-N	-1	0	275.304	3.266	20	30		CGEDRM
C=CC1CCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)CC1	ZINC000823491553	605684330	/nfs/dbraw/zinc/68/43/30/605684330.db2.gz	XBDHGDFDWQFGSG-UHFFFAOYSA-N	-1	0	288.347	3.123	20	30		CGEDRM
Cc1ccc(F)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000255063323	617895348	/nfs/dbraw/zinc/89/53/48/617895348.db2.gz	YOFZYDMQLKDEBL-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(Cl)c1	ZINC000049417959	617608072	/nfs/dbraw/zinc/60/80/72/617608072.db2.gz	BXPOXJIEQWEKOS-UHFFFAOYSA-N	-1	0	296.175	3.036	20	30		CGEDRM
CCn1nccc1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000255025501	617750610	/nfs/dbraw/zinc/75/06/10/617750610.db2.gz	LPOSTTGYSFFHDK-XQRVVYSFSA-N	-1	0	276.723	3.158	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1cccc(Cl)c1[O-]	ZINC000890811913	617868231	/nfs/dbraw/zinc/86/82/31/617868231.db2.gz	OZWYYGHHWZJBNU-UHFFFAOYSA-N	-1	0	267.756	3.474	20	30		CGEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@H]1CC=CCC1	ZINC000042318872	620768030	/nfs/dbraw/zinc/76/80/30/620768030.db2.gz	PXKHRLPZIUFJEL-GETOMWPZSA-N	-1	0	291.372	3.300	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CC=CCC1	ZINC000077880071	618218253	/nfs/dbraw/zinc/21/82/53/618218253.db2.gz	MHLLBPSCEVBZCF-JSGCOSHPSA-N	-1	0	293.388	3.390	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CC1CCCCC1	ZINC000078777487	618223701	/nfs/dbraw/zinc/22/37/01/618223701.db2.gz	GTMXWMFTTVOWGY-UHFFFAOYSA-N	-1	0	261.387	3.043	20	30		CGEDRM
N#Cc1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)s1	ZINC000255556496	618670164	/nfs/dbraw/zinc/67/01/64/618670164.db2.gz	TZYQHANNMYIGEV-UZNMPDEFSA-N	-1	0	288.353	3.344	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000255582984	618733816	/nfs/dbraw/zinc/73/38/16/618733816.db2.gz	GRAVMVLGZHNHFH-ARJAWSKDSA-N	-1	0	289.337	3.276	20	30		CGEDRM
COCc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000255828728	618795032	/nfs/dbraw/zinc/79/50/32/618795032.db2.gz	YXCMYARTKDXFAJ-YVMONPNESA-N	-1	0	284.311	3.140	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc(C#N)c2)c([O-])c1	ZINC000255912989	618879055	/nfs/dbraw/zinc/87/90/55/618879055.db2.gz	OMRPJYOKACFCNT-VURMDHGXSA-N	-1	0	263.296	3.468	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519696	619503934	/nfs/dbraw/zinc/50/39/34/619503934.db2.gz	BOVBJSKNYBTSTG-UHFFFAOYSA-N	-1	0	295.404	3.401	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000048519255	619504069	/nfs/dbraw/zinc/50/40/69/619504069.db2.gz	QBPADAFCMVZWPM-UHFFFAOYSA-N	-1	0	296.175	3.439	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000909511008	619790210	/nfs/dbraw/zinc/79/02/10/619790210.db2.gz	PFLQWHGUVIAZEM-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
CC(F)(F)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707444	620089586	/nfs/dbraw/zinc/08/95/86/620089586.db2.gz	VAJOYPDNSKDZLR-LNKIKWGQSA-N	-1	0	278.642	3.028	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2F)cc1	ZINC000007741079	620255264	/nfs/dbraw/zinc/25/52/64/620255264.db2.gz	VDLKPBDWTBZJRL-JXMROGBWSA-N	-1	0	270.259	3.420	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCc3cccnc32)c1	ZINC000899227747	620627579	/nfs/dbraw/zinc/62/75/79/620627579.db2.gz	RANDRYBMKOASTA-YFEUJDIGSA-N	-1	0	297.314	3.192	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1c([O-])cccc1F	ZINC000901561594	620930542	/nfs/dbraw/zinc/93/05/42/620930542.db2.gz	UEECGEJNWJUMKF-FPLPWBNLSA-N	-1	0	286.306	3.038	20	30		CGEDRM
C=CC[C@@H]1CC[C@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000901660368	620969444	/nfs/dbraw/zinc/96/94/44/620969444.db2.gz	BDVMCLCARWDASA-DOMZBBRYSA-N	-1	0	259.349	3.470	20	30		CGEDRM
CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(O)cc1Cl	ZINC000905462790	622078333	/nfs/dbraw/zinc/07/83/33/622078333.db2.gz	VNEOJPQMFBRSOI-NSHDSACASA-N	-1	0	296.798	3.317	20	30		CGEDRM
C=C[C@H](CC)CC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000907856560	622314520	/nfs/dbraw/zinc/31/45/20/622314520.db2.gz	YRQQQLCCGVJSGK-CYBMUJFWSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CC[C@@H](C(=O)NCCCCCC(=O)[O-])c1ccccc1	ZINC000909089903	622390412	/nfs/dbraw/zinc/39/04/12/622390412.db2.gz	TZKYOSZSYYAQQN-OAHLLOKOSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000909724945	622419972	/nfs/dbraw/zinc/41/99/72/622419972.db2.gz	KZNUEMDCVQUZPP-IGEOTXOUSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909832647	622428750	/nfs/dbraw/zinc/42/87/50/622428750.db2.gz	FPTZYXRKRIJKQP-SNVBAGLBSA-N	-1	0	261.321	3.025	20	30		CGEDRM
C=CCC(C)(C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000910367723	622479696	/nfs/dbraw/zinc/47/96/96/622479696.db2.gz	XUHQBRYPFQLDEG-LBPRGKRZSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910922587	622509023	/nfs/dbraw/zinc/50/90/23/622509023.db2.gz	KVSYJBLBIVGTMK-DZGCQCFKSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cccc(C(F)F)c1)C(=O)[O-]	ZINC000910925233	622509235	/nfs/dbraw/zinc/50/92/35/622509235.db2.gz	KJUHVJNJSVWUTP-LBPRGKRZSA-N	-1	0	297.301	3.164	20	30		CGEDRM
O=C(/C=C/c1cccnc1Cl)c1ccccc1[O-]	ZINC000156604197	622827497	/nfs/dbraw/zinc/82/74/97/622827497.db2.gz	XAUFADNJNCQCNC-BQYQJAHWSA-N	-1	0	259.692	3.337	20	30		CGEDRM
CC(C)(C)CCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010281	623854481	/nfs/dbraw/zinc/85/44/81/623854481.db2.gz	WFUHTSGZATWAGZ-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NOC[C@H]2CCOC2)cc1Cl	ZINC000788039927	623976666	/nfs/dbraw/zinc/97/66/66/623976666.db2.gz	VIHPELOKVHZQEQ-QMMMGPOBSA-N	-1	0	290.146	3.086	20	30		CGEDRM
C[C@H]1C(=NNCCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814920147	624004248	/nfs/dbraw/zinc/00/42/48/624004248.db2.gz	CACJWILSJAFLCL-DTWKUNHWSA-N	-1	0	294.317	3.041	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNCc1ccccc1)CCC2	ZINC000915951300	624078427	/nfs/dbraw/zinc/07/84/27/624078427.db2.gz	LFNMZAVFAQLQDC-UHFFFAOYSA-N	-1	0	298.342	3.116	20	30		CGEDRM
Cc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000916240739	624125793	/nfs/dbraw/zinc/12/57/93/624125793.db2.gz	MXGCGOQLEAVKRN-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1	ZINC000921266203	624578067	/nfs/dbraw/zinc/57/80/67/624578067.db2.gz	KKPUAIZUPBAQRQ-WQLSENKSSA-N	-1	0	298.269	3.183	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc([O-])c(F)c1	ZINC000170851761	624656340	/nfs/dbraw/zinc/65/63/40/624656340.db2.gz	XZJTXPPLUQJWOI-AATRIKPKSA-N	-1	0	288.322	3.448	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(C)c1C	ZINC000073837983	626070388	/nfs/dbraw/zinc/07/03/88/626070388.db2.gz	JZWWASYWIMUWCM-UHFFFAOYSA-N	-1	0	283.393	3.126	20	30		CGEDRM
Cc1cc(N)cc(C)c1C=[NH+][N-]c1ccccc1C(=O)[O-]	ZINC000752720185	626436011	/nfs/dbraw/zinc/43/60/11/626436011.db2.gz	GPFBUZAUOYHAJG-UHFFFAOYSA-N	-1	0	283.331	3.030	20	30		CGEDRM
C[C@@]1(C#N)CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000753588360	626457373	/nfs/dbraw/zinc/45/73/73/626457373.db2.gz	UYEIOYDHVOUECG-AWEZNQCLSA-N	-1	0	282.746	3.310	20	30		CGEDRM
CC[C@H](C)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755466986	626625035	/nfs/dbraw/zinc/62/50/35/626625035.db2.gz	KLNKKGGHZOGMJR-QMMMGPOBSA-N	-1	0	254.717	3.482	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCc2ccccc21	ZINC000756899005	626739683	/nfs/dbraw/zinc/73/96/83/626739683.db2.gz	LFYWEOYDWNTWAL-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cn1	ZINC000757474275	626781685	/nfs/dbraw/zinc/78/16/85/626781685.db2.gz	AGSZAYJHKWMKII-ARJAWSKDSA-N	-1	0	292.285	3.344	20	30		CGEDRM
CC(C)c1ncc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000758359982	626839388	/nfs/dbraw/zinc/83/93/88/626839388.db2.gz	SMMIPESXJCRKFQ-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCc3sccc32)c1	ZINC000759714116	626917666	/nfs/dbraw/zinc/91/76/66/626917666.db2.gz	VTWNBYDYLKPNIA-GFCCVEGCSA-N	-1	0	298.367	3.384	20	30		CGEDRM
Cc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cnc1Cl	ZINC000760265568	626950675	/nfs/dbraw/zinc/95/06/75/626950675.db2.gz	PZUZAAYSEHRSPZ-GORDUTHDSA-N	-1	0	289.718	3.351	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C#N)s1	ZINC000762440913	627110079	/nfs/dbraw/zinc/11/00/79/627110079.db2.gz	HKIPURNYODZWNQ-UHFFFAOYSA-N	-1	0	285.328	3.154	20	30		CGEDRM
CCCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763369001	627154312	/nfs/dbraw/zinc/15/43/12/627154312.db2.gz	DNZREKVBUMTMLP-UHFFFAOYSA-N	-1	0	283.331	3.396	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2csc3ccccc23)nc1	ZINC000763369198	627154324	/nfs/dbraw/zinc/15/43/24/627154324.db2.gz	SODBRSGMNODYMF-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
CC(CCCC(C)C)=NNc1cnnc([O-])c1Cl	ZINC000764675731	627217758	/nfs/dbraw/zinc/21/77/58/627217758.db2.gz	IDDAYTAWPLHBPR-UHFFFAOYSA-N	-1	0	270.764	3.450	20	30		CGEDRM
CCc1noc(C)c1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000769796495	627579086	/nfs/dbraw/zinc/57/90/86/627579086.db2.gz	ZIIYLAUEEUKNIX-UHFFFAOYSA-N	-1	0	287.319	3.080	20	30		CGEDRM
O=c1[n-]c(N=NC2CC3(CCC3)C2)nc2ccccc21	ZINC000772844082	627828588	/nfs/dbraw/zinc/82/85/88/627828588.db2.gz	JRVFHBUWGMZNJZ-UHFFFAOYSA-N	-1	0	268.320	3.067	20	30		CGEDRM
CC(C)c1nccnc1N=NC(C)c1ccccc1C(=O)[O-]	ZINC000773079083	627851852	/nfs/dbraw/zinc/85/18/52/627851852.db2.gz	TXDBKCAANIIWQH-UHFFFAOYSA-N	-1	0	298.346	3.134	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Oc3cc(F)ccc3C2=O)c1	ZINC000773169938	627864794	/nfs/dbraw/zinc/86/47/94/627864794.db2.gz	BJCIUSYQHGCJSD-VGOFMYFVSA-N	-1	0	284.242	3.140	20	30		CGEDRM
C=CCN(CC(F)(F)F)C(=O)c1cccc(Cl)c1[O-]	ZINC000775683699	628125837	/nfs/dbraw/zinc/12/58/37/628125837.db2.gz	RHWQKZUXMDNGTP-UHFFFAOYSA-N	-1	0	293.672	3.236	20	30		CGEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCc1ccccc1	ZINC000780978026	628527835	/nfs/dbraw/zinc/52/78/35/628527835.db2.gz	CSDXHPCDXSMKKJ-OAHLLOKOSA-N	-1	0	292.379	3.206	20	30		CGEDRM
COc1cc(C)c(/C=C/C(=O)c2ccccc2[O-])c(C)n1	ZINC000781550283	628570345	/nfs/dbraw/zinc/57/03/45/628570345.db2.gz	QQUOFGLAEAIXNL-CMDGGOBGSA-N	-1	0	283.327	3.309	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2scnc2C2CC2)c1	ZINC000782110655	628616506	/nfs/dbraw/zinc/61/65/06/628616506.db2.gz	KQBGCVQKFFNJJT-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
O=C([O-])c1cc(N=NC[C@@H]2CCSC2)ccc1Cl	ZINC000782111060	628616760	/nfs/dbraw/zinc/61/67/60/628616760.db2.gz	NAIBCNFPBPBAAN-QMMMGPOBSA-N	-1	0	284.768	3.189	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000782324102	628638542	/nfs/dbraw/zinc/63/85/42/628638542.db2.gz	BLKNAKQPZRLXJY-RQOWECAXSA-N	-1	0	291.303	3.185	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1cc(C(=O)[O-])ccc1C	ZINC000788426185	629051553	/nfs/dbraw/zinc/05/15/53/629051553.db2.gz	WZLQHASTZAJJFH-UHFFFAOYSA-N	-1	0	293.326	3.401	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000789802287	629168456	/nfs/dbraw/zinc/16/84/56/629168456.db2.gz	BPTBXMZYOVYLOU-BTDICHCPSA-N	-1	0	285.372	3.484	20	30		CGEDRM
C#Cc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000792631383	629372044	/nfs/dbraw/zinc/37/20/44/629372044.db2.gz	ITTZDWQTDXDYNX-UHFFFAOYSA-N	-1	0	298.729	3.466	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1	ZINC000862543893	629397061	/nfs/dbraw/zinc/39/70/61/629397061.db2.gz	MPZHNBNNSYLDKK-JTQLQIEISA-N	-1	0	288.372	3.155	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NN[C@H](C)C(C)(C)C)CCC2	ZINC000793114441	629412977	/nfs/dbraw/zinc/41/29/77/629412977.db2.gz	LYHZCGJEQJCTGV-SNVBAGLBSA-N	-1	0	292.379	3.351	20	30		CGEDRM
CC1(C)CCC/C(=C\c2ccc(CC(=O)[O-])cc2)C1=O	ZINC000863186704	629490452	/nfs/dbraw/zinc/49/04/52/629490452.db2.gz	IPIKKABJZQMPJO-GXDHUFHOSA-N	-1	0	272.344	3.476	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nc2ccsc2s1	ZINC000794020429	629513438	/nfs/dbraw/zinc/51/34/38/629513438.db2.gz	WCMGDVMOLMOYES-UHFFFAOYSA-N	-1	0	288.419	3.066	20	30		CGEDRM
C#C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Cl)cc1	ZINC000794061572	629514700	/nfs/dbraw/zinc/51/47/00/629514700.db2.gz	XMIJJEAKJLRZOS-SECBINFHSA-N	-1	0	293.647	3.031	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCc2cccc(Cl)c2)nc1	ZINC000794923497	629599565	/nfs/dbraw/zinc/59/95/65/629599565.db2.gz	PYVFHYIFSADKIH-UHFFFAOYSA-N	-1	0	289.722	3.074	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000794940972	629603394	/nfs/dbraw/zinc/60/33/94/629603394.db2.gz	HEFBJFDZYWGIBI-GQCTYLIASA-N	-1	0	274.295	3.205	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCc3ccc(O)cc3C2=O)cc1	ZINC000794959640	629606467	/nfs/dbraw/zinc/60/64/67/629606467.db2.gz	CDVOQBCSFLVRJJ-NTEUORMPSA-N	-1	0	294.306	3.303	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@H](C)CCCCC)C(=O)[O-]	ZINC000864182878	629793208	/nfs/dbraw/zinc/79/32/08/629793208.db2.gz	FBPHAMZCLLWTIB-ZYHUDNBSSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)[O-]	ZINC000864185828	629794710	/nfs/dbraw/zinc/79/47/10/629794710.db2.gz	CQZMBZHHWHVSFC-LBPRGKRZSA-N	-1	0	299.798	3.059	20	30		CGEDRM
CC[C@@H]1CC[C@@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000797402239	629942007	/nfs/dbraw/zinc/94/20/07/629942007.db2.gz	XPLPMBHNFYCXRH-GHMZBOCLSA-N	-1	0	275.352	3.394	20	30		CGEDRM
C#C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)C(C)C	ZINC000799045762	630134022	/nfs/dbraw/zinc/13/40/22/630134022.db2.gz	RUTMJKXHOMPMTJ-JTQLQIEISA-N	-1	0	286.158	3.087	20	30		CGEDRM
Cc1[nH]c(C=NNc2cc(C)ccc2C)cc1C(=O)[O-]	ZINC000800808516	630300456	/nfs/dbraw/zinc/30/04/56/630300456.db2.gz	VAIOTKFYXBUYCH-UHFFFAOYSA-N	-1	0	271.320	3.084	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)C2	ZINC000811693484	631110270	/nfs/dbraw/zinc/11/02/70/631110270.db2.gz	ISPYUAOIZQQIDC-VIZOYTHASA-N	-1	0	289.290	3.079	20	30		CGEDRM
COc1ccc(F)cc1C=CC(=O)c1sccc1[O-]	ZINC000812242516	631231049	/nfs/dbraw/zinc/23/10/49/631231049.db2.gz	RSBNSQGXKVKGSH-DUXPYHPUSA-N	-1	0	278.304	3.498	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccccc1F	ZINC000812441656	631260548	/nfs/dbraw/zinc/26/05/48/631260548.db2.gz	DTFLEALVMKTKAY-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(F)cc(F)c2F)c1	ZINC000814183183	631542028	/nfs/dbraw/zinc/54/20/28/631542028.db2.gz	FUKUPXVQFUXHQN-UHFFFAOYSA-N	-1	0	296.204	3.468	20	30		CGEDRM
Cc1cccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814687569	631622642	/nfs/dbraw/zinc/62/26/42/631622642.db2.gz	LQULEQDXQGJREY-NWDGAFQWSA-N	-1	0	260.337	3.284	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)cc2F)CC[C@H]1CC(=O)[O-]	ZINC000814686746	631622645	/nfs/dbraw/zinc/62/26/45/631622645.db2.gz	YMBIUKMLAKBOPT-IUCAKERBSA-N	-1	0	282.290	3.254	20	30		CGEDRM
CC(=NNc1cccc(C#N)c1)c1csc(C(=O)[O-])c1	ZINC000814786412	631638537	/nfs/dbraw/zinc/63/85/37/631638537.db2.gz	IJEDXBOYIRUEDJ-UHFFFAOYSA-N	-1	0	285.328	3.154	20	30		CGEDRM
O=C([O-])c1cccc(CN=Nc2nccc3sccc32)c1	ZINC000814808742	631645685	/nfs/dbraw/zinc/64/56/85/631645685.db2.gz	HMIFGMQNMLHOOU-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2cc(Cl)ccc2Cl)C1	ZINC000814861410	631657684	/nfs/dbraw/zinc/65/76/84/631657684.db2.gz	SXPKUEYARXKDPH-UHFFFAOYSA-N	-1	0	273.119	3.256	20	30		CGEDRM
CC(C)CON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814883927	631664001	/nfs/dbraw/zinc/66/40/01/631664001.db2.gz	HVISQCQKJHGONG-WDEREUQCSA-N	-1	0	255.358	3.172	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ncccc1F	ZINC000814927518	631685279	/nfs/dbraw/zinc/68/52/79/631685279.db2.gz	RMGJIYZNWFKEFZ-UHFFFAOYSA-N	-1	0	299.305	3.071	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(F)n2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814928170	631686443	/nfs/dbraw/zinc/68/64/43/631686443.db2.gz	ZHTLJXQHXHAKAA-UWVGGRQHSA-N	-1	0	293.342	3.146	20	30		CGEDRM
CC(=NOC/C=C\Cl)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814933974	631688346	/nfs/dbraw/zinc/68/83/46/631688346.db2.gz	GYSQJZWUPROGCY-HXZXZHATSA-N	-1	0	273.760	3.268	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(Cl)n2)CC[C@@H]1CC(=O)[O-]	ZINC000814939481	631692514	/nfs/dbraw/zinc/69/25/14/631692514.db2.gz	RLNFRNGKIMXFMJ-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OC[C@@H](C)CC	ZINC000816978310	632067019	/nfs/dbraw/zinc/06/70/19/632067019.db2.gz	QMQGNWWEJMTCDA-QWHCGFSZSA-N	-1	0	272.389	3.052	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC3(C2)CCCCC3)cn1	ZINC000817331430	632123945	/nfs/dbraw/zinc/12/39/45/632123945.db2.gz	ZMMKYLMBRGEJNC-UHFFFAOYSA-N	-1	0	273.336	3.292	20	30		CGEDRM
C#CCCCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000121030891	633092984	/nfs/dbraw/zinc/09/29/84/633092984.db2.gz	BGYPQFMFNLRFKF-OQLLNIDSSA-N	-1	0	280.711	3.176	20	30		CGEDRM
CC[C@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000826604622	633421910	/nfs/dbraw/zinc/42/19/10/633421910.db2.gz	QMFCZPPOGPHXOO-SECBINFHSA-N	-1	0	286.253	3.181	20	30		CGEDRM
CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000827829902	633522198	/nfs/dbraw/zinc/52/21/98/633522198.db2.gz	SFVZPSRTJIECDR-GFCCVEGCSA-N	-1	0	260.337	3.275	20	30		CGEDRM
CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000827829903	633522572	/nfs/dbraw/zinc/52/25/72/633522572.db2.gz	SFVZPSRTJIECDR-LBPRGKRZSA-N	-1	0	260.337	3.275	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)nc(Cl)c2)n1	ZINC000123672305	633790777	/nfs/dbraw/zinc/79/07/77/633790777.db2.gz	ARPYZQYBTDEJGL-SNVBAGLBSA-N	-1	0	291.763	3.298	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1(C(C)C)CC1	ZINC000872360581	634117987	/nfs/dbraw/zinc/11/79/87/634117987.db2.gz	QIADNTDRCKBWAF-UHFFFAOYSA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCC(F)(F)C2)cc1F	ZINC000872380055	634127388	/nfs/dbraw/zinc/12/73/88/634127388.db2.gz	TYBXQNUBMWIZBB-QMMMGPOBSA-N	-1	0	286.253	3.357	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNC[C@H]1CCCC1(F)F	ZINC000872405858	634134663	/nfs/dbraw/zinc/13/46/63/634134663.db2.gz	DZKVQAJKVBTVEW-LLVKDONJSA-N	-1	0	288.338	3.032	20	30		CGEDRM
C[C@@H]1CC[C@@H](CN=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835007875	634312613	/nfs/dbraw/zinc/31/26/13/634312613.db2.gz	AXORKLRCGBWDEO-NXEZZACHSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC[C@@H](C)CCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008679	634313329	/nfs/dbraw/zinc/31/33/29/634313329.db2.gz	MSKNTKDLCULWDU-SECBINFHSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CSC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCC1	ZINC000835009075	634313349	/nfs/dbraw/zinc/31/33/49/634313349.db2.gz	NQISYGJZIQCDCS-UHFFFAOYSA-N	-1	0	282.340	3.207	20	30		CGEDRM
CCCC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835009989	634314116	/nfs/dbraw/zinc/31/41/16/634314116.db2.gz	KEYZHIWNIVXZTN-SNVBAGLBSA-N	-1	0	263.341	3.394	20	30		CGEDRM
CC(C)C(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000835010075	634314256	/nfs/dbraw/zinc/31/42/56/634314256.db2.gz	NDUBALRREVBAEF-UHFFFAOYSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC(C)(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)CS1	ZINC000835009975	634314510	/nfs/dbraw/zinc/31/45/10/634314510.db2.gz	JXNDATJLKLDBBW-GFCCVEGCSA-N	-1	0	293.392	3.099	20	30		CGEDRM
CCC[C@@H](C)CN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011977	634316325	/nfs/dbraw/zinc/31/63/25/634316325.db2.gz	LPRQOIOGYIULOP-SECBINFHSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CC1(CN=Nc2ccc(C(=O)[O-])cc2F)CCC1	ZINC000835012893	634316636	/nfs/dbraw/zinc/31/66/36/634316636.db2.gz	ZDCJMSXLOAPUEA-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2(C)CCOCC2)n1	ZINC000835036769	634328782	/nfs/dbraw/zinc/32/87/82/634328782.db2.gz	NJROYPHVWTZZAR-AAOUONPWSA-N	-1	0	290.388	3.001	20	30		CGEDRM
C=CCN(Cc1ccc(F)c(F)c1[O-])CC(F)(F)F	ZINC000876637251	634873662	/nfs/dbraw/zinc/87/36/62/634873662.db2.gz	SMVDNEDXOSXCAB-UHFFFAOYSA-N	-1	0	281.224	3.221	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCC2)n1	ZINC000842677543	635437982	/nfs/dbraw/zinc/43/79/82/635437982.db2.gz	CZQQBMWRUGUNGW-DGMVEKRQSA-N	-1	0	260.362	3.374	20	30		CGEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)C1CCOCC1	ZINC000844623820	635945640	/nfs/dbraw/zinc/94/56/40/635945640.db2.gz	MPMXWKYOBRMMEC-UHFFFAOYSA-N	-1	0	290.363	3.298	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1ccc(F)cc1)C(C)C	ZINC000846536604	636195324	/nfs/dbraw/zinc/19/53/24/636195324.db2.gz	SCBYKNYITHBWLW-CQSZACIVSA-N	-1	0	265.328	3.189	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Sc1ccccc1Cl	ZINC000846538657	636195440	/nfs/dbraw/zinc/19/54/40/636195440.db2.gz	SHTREJZNZWBKKE-JTQLQIEISA-N	-1	0	285.796	3.445	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CSc1ccc(Cl)cc1	ZINC000846540873	636196135	/nfs/dbraw/zinc/19/61/35/636196135.db2.gz	LMMFLBHYNNYLPW-UHFFFAOYSA-N	-1	0	271.769	3.056	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1cccc(C(C)C)c1	ZINC000846539119	636196287	/nfs/dbraw/zinc/19/62/87/636196287.db2.gz	XQOWOUMTCFPREY-CYBMUJFWSA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CC1	ZINC000846551762	636201048	/nfs/dbraw/zinc/20/10/48/636201048.db2.gz	XEZVTFUZLLVEIV-JTQLQIEISA-N	-1	0	299.292	3.359	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CC1	ZINC000846551763	636201288	/nfs/dbraw/zinc/20/12/88/636201288.db2.gz	XEZVTFUZLLVEIV-SNVBAGLBSA-N	-1	0	299.292	3.359	20	30		CGEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848413483	636570671	/nfs/dbraw/zinc/57/06/71/636570671.db2.gz	GNFDZBBLSLCHGV-GFCCVEGCSA-N	-1	0	272.348	3.458	20	30		CGEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H]1C[C@H]1C	ZINC000848413895	636570866	/nfs/dbraw/zinc/57/08/66/636570866.db2.gz	DVDULVGPLYHGQS-MFKMUULPSA-N	-1	0	260.337	3.148	20	30		CGEDRM
N#Cc1cccc(COC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000848949698	636701421	/nfs/dbraw/zinc/70/14/21/636701421.db2.gz	CTASNLSVVPDZOB-UHFFFAOYSA-N	-1	0	287.702	3.274	20	30		CGEDRM
Cc1cccc(CCC(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086055159	636779783	/nfs/dbraw/zinc/77/97/83/636779783.db2.gz	QTMZZWHYVYDVGV-UHFFFAOYSA-N	-1	0	295.404	3.157	20	30		CGEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC000853354378	637822392	/nfs/dbraw/zinc/82/23/92/637822392.db2.gz	GUHABKDAZARXAR-CQSZACIVSA-N	-1	0	294.326	3.127	20	30		CGEDRM
Cc1cccc2c1NC(=O)C2=NNc1ccccc1C(=O)[O-]	ZINC000013458969	639479412	/nfs/dbraw/zinc/47/94/12/639479412.db2.gz	GJIPITQOQCDBBL-UHFFFAOYSA-N	-1	0	295.298	3.111	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000048417801	640053029	/nfs/dbraw/zinc/05/30/29/640053029.db2.gz	ROFAXIQIGOVNGV-QMMMGPOBSA-N	-1	0	275.757	3.031	20	30		CGEDRM
CCCSCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518396	640056628	/nfs/dbraw/zinc/05/66/28/640056628.db2.gz	SVAHNOXHNRDOIV-NTMALXAHSA-N	-1	0	299.417	3.087	20	30		CGEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000076757379	640213482	/nfs/dbraw/zinc/21/34/82/640213482.db2.gz	ZHGRNFZKIHJKEF-UHFFFAOYSA-N	-1	0	293.797	3.237	20	30		CGEDRM
C=C[C@H](CC(=O)N[C@H](CCCC)C(=O)[O-])c1ccccc1	ZINC000191232746	640298576	/nfs/dbraw/zinc/29/85/76/640298576.db2.gz	NMZYYDALZSGQHH-UKRRQHHQSA-N	-1	0	289.375	3.106	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000080298840	640465386	/nfs/dbraw/zinc/46/53/86/640465386.db2.gz	MTWKXIOPRUUHON-MRVPVSSYSA-N	-1	0	289.784	3.340	20	30		CGEDRM
Fc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000254518154	640912890	/nfs/dbraw/zinc/91/28/90/640912890.db2.gz	XTIYWPQEXWUTSI-UHFFFAOYSA-N	-1	0	288.307	3.222	20	30		CGEDRM
C[C@]1(C#N)CCN(Cc2cc([O-])c(Cl)c(F)c2F)C1	ZINC001250415093	805601763	/nfs/dbraw/zinc/60/17/63/805601763.db2.gz	NZXVQSSFBWIDQO-CYBMUJFWSA-N	-1	0	286.709	3.059	20	30		CGEDRM
N#Cc1cnc(-c2cc(Cl)c([O-])c(Cl)c2)nc1	ZINC001250508412	805664068	/nfs/dbraw/zinc/66/40/68/805664068.db2.gz	PMOHZBMAYGSRBE-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
COc1cc2nc(-c3cc(C#N)ccc3[O-])[nH]c2cc1Cl	ZINC001251180087	805859399	/nfs/dbraw/zinc/85/93/99/805859399.db2.gz	BBUHHOVCUHOVCA-UHFFFAOYSA-N	-1	0	299.717	3.469	20	30		CGEDRM
Cc1cc(Nc2cccc(C#N)c2F)ccc1C(=O)[O-]	ZINC001211657485	814927701	/nfs/dbraw/zinc/92/77/01/814927701.db2.gz	PRKDONVQKDRYJU-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)C1CC1	ZINC000176520517	799098674	/nfs/dbraw/zinc/09/86/74/799098674.db2.gz	NXVCVUSTNYJNOJ-HZMBPMFUSA-N	-1	0	294.354	3.414	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000254937790	799169204	/nfs/dbraw/zinc/16/92/04/799169204.db2.gz	ZVYYURUHWFKIGJ-ALCCZGGFSA-N	-1	0	267.259	3.299	20	30		CGEDRM
CCCCCCCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000703732943	799928968	/nfs/dbraw/zinc/92/89/68/799928968.db2.gz	GNYXFQXYWSVCOG-UHFFFAOYSA-N	-1	0	277.364	3.014	20	30		CGEDRM
Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H](C)CCCC#N	ZINC001172490353	808349984	/nfs/dbraw/zinc/34/99/84/808349984.db2.gz	FAJTVUZBSVWTOO-LBPRGKRZSA-N	-1	0	284.363	3.381	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC001119298271	802644573	/nfs/dbraw/zinc/64/45/73/802644573.db2.gz	CAABAGKGGXPDGF-HNNXBMFYSA-N	-1	0	290.363	3.061	20	30		CGEDRM
N#CC1(c2cccc(-c3ccccc3S(=O)(=O)[O-])c2)CC1	ZINC001244074694	803172534	/nfs/dbraw/zinc/17/25/34/803172534.db2.gz	QHIGJTBHKGNKIW-UHFFFAOYSA-N	-1	0	299.351	3.155	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc3[nH]c(C#N)cc3c2)c1	ZINC001244171437	803221954	/nfs/dbraw/zinc/22/19/54/803221954.db2.gz	KDMHGSSZNUKGHT-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#Cc1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cn12	ZINC001244501273	803408008	/nfs/dbraw/zinc/40/80/08/803408008.db2.gz	AXQQTWVVXUHDOH-UHFFFAOYSA-N	-1	0	287.681	3.371	20	30		CGEDRM
N#Cc1ccnc(-c2cc(C(=O)[O-])c(Cl)cc2F)c1F	ZINC001244609870	803463233	/nfs/dbraw/zinc/46/32/33/803463233.db2.gz	HSVIRVBCSOUWDG-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1ccc(Cl)c([O-])c1F	ZINC001244633751	803475897	/nfs/dbraw/zinc/47/58/97/803475897.db2.gz	YNXFQWCVKWONJI-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#CCCc1ccc(-c2cnc(F)c(C(=O)[O-])c2)cc1	ZINC001244753167	803519941	/nfs/dbraw/zinc/51/99/41/803519941.db2.gz	NEBUXEDNJLGPFN-UHFFFAOYSA-N	-1	0	270.263	3.042	20	30		CGEDRM
N#CCc1cc(F)cc(-c2cc(CC(=O)[O-])ccc2F)c1	ZINC001245321588	803700701	/nfs/dbraw/zinc/70/07/01/803700701.db2.gz	CPXXHINJUNWZBJ-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])cc2Cl)ccn1	ZINC001245373707	803718833	/nfs/dbraw/zinc/71/88/33/803718833.db2.gz	JBLAFJZRMZQYQU-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C(=O)[O-])cc3Cl)cc12	ZINC001245373573	803718889	/nfs/dbraw/zinc/71/88/89/803718889.db2.gz	CDKCEVYCVLNNIN-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
Cc1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cnc1N	ZINC001245540656	803799712	/nfs/dbraw/zinc/79/97/12/803799712.db2.gz	XRBBFBQYRWYSJK-CGOBSMCZSA-N	-1	0	295.264	3.466	20	30		CGEDRM
Cc1ccc(Cn2[n-]c(-c3ccc(C#N)cc3)cc2=O)cc1	ZINC001245932874	804063311	/nfs/dbraw/zinc/06/33/11/804063311.db2.gz	MYMGMURZKPECNX-UHFFFAOYSA-N	-1	0	289.338	3.484	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3ccsc3)cc2=O)c1	ZINC001245949334	804082884	/nfs/dbraw/zinc/08/28/84/804082884.db2.gz	PJTJQMXQOFXHJK-UHFFFAOYSA-N	-1	0	267.313	3.178	20	30		CGEDRM
Cc1c(Cl)cc(NC(=O)C2(C#N)CC2)c([O-])c1Cl	ZINC001143182205	804816915	/nfs/dbraw/zinc/81/69/15/804816915.db2.gz	XNCMNYSMGHBOCE-UHFFFAOYSA-N	-1	0	285.130	3.250	20	30		CGEDRM
Cc1ccc(C(=O)Nc2c(C#N)ccc(F)c2F)c([O-])c1	ZINC001148500062	805191260	/nfs/dbraw/zinc/19/12/60/805191260.db2.gz	JRCJBKOYRJNKFD-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001148815597	805210760	/nfs/dbraw/zinc/21/07/60/805210760.db2.gz	QQCCSEISGMGUFN-VIFPVBQESA-N	-1	0	299.157	3.217	20	30		CGEDRM
Cc1nc(Nc2ccc(Cl)c([O-])c2)c(C#N)cc1C#N	ZINC001212589416	815077956	/nfs/dbraw/zinc/07/79/56/815077956.db2.gz	KJPNYERKDDGWCP-UHFFFAOYSA-N	-1	0	284.706	3.236	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2cccc(C=CC(=O)[O-])c2)cc1	ZINC001250205542	805489114	/nfs/dbraw/zinc/48/91/14/805489114.db2.gz	OFRWQSMHDNUMAG-RMKNXTFCSA-N	-1	0	291.306	3.081	20	30		CGEDRM
N#Cc1cccc(C(=O)Cc2cc([O-])c(F)c(F)c2F)c1	ZINC001250290031	805545127	/nfs/dbraw/zinc/54/51/27/805545127.db2.gz	NBPYBPIZIPKACN-UHFFFAOYSA-N	-1	0	291.228	3.107	20	30		CGEDRM
CCCCCCC[C@@H](C)n1[n-]c2ccnc(=O)c-2c1N	ZINC001258043921	807273484	/nfs/dbraw/zinc/27/34/84/807273484.db2.gz	UZGDFSUTVDWKAJ-LLVKDONJSA-N	-1	0	276.384	3.180	20	30		CGEDRM
CCCCCCC[C@H](CCC)[NH2+]CCOP(=O)([O-])[O-]	ZINC001172503685	808361073	/nfs/dbraw/zinc/36/10/73/808361073.db2.gz	ZRJPNSHLBQOXAP-ZDUSSCGKSA-N	-1	0	295.360	3.215	20	30		CGEDRM
N#Cc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001174496464	809043172	/nfs/dbraw/zinc/04/31/72/809043172.db2.gz	KZGWEQXEEBAIJP-BQYQJAHWSA-N	-1	0	264.284	3.400	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1C#N	ZINC001174496264	809043665	/nfs/dbraw/zinc/04/36/65/809043665.db2.gz	INHZHLPOUPSOKF-QPJJXVBHSA-N	-1	0	289.294	3.271	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1	ZINC001174675696	809126364	/nfs/dbraw/zinc/12/63/64/809126364.db2.gz	RJRUVQWANNAQJK-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001174687054	809131185	/nfs/dbraw/zinc/13/11/85/809131185.db2.gz	LSMJLFPUTTXTFM-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
Cc1cc(Cl)nc(Nc2ccc(C(=O)[O-])s2)c1C#N	ZINC001174808271	809168555	/nfs/dbraw/zinc/16/85/55/809168555.db2.gz	UFIHPBBHJZLUFV-UHFFFAOYSA-N	-1	0	293.735	3.418	20	30		CGEDRM
N#CCc1cc(Nc2ccc(C(=O)[O-])s2)ccc1F	ZINC001174812444	809170171	/nfs/dbraw/zinc/17/01/71/809170171.db2.gz	JDBSKHUIKMLUHQ-UHFFFAOYSA-N	-1	0	276.292	3.395	20	30		CGEDRM
COCc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001174921908	809201666	/nfs/dbraw/zinc/20/16/66/809201666.db2.gz	QYBXOLUJMCHKSF-UHFFFAOYSA-N	-1	0	272.279	3.293	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175215383	809311509	/nfs/dbraw/zinc/31/15/09/809311509.db2.gz	LGDMJXCXEPHQNE-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175322463	809354421	/nfs/dbraw/zinc/35/44/21/809354421.db2.gz	WMLZFNFHGJHPAW-UHFFFAOYSA-N	-1	0	287.706	3.236	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2)c(F)c1F	ZINC001175331015	809359089	/nfs/dbraw/zinc/35/90/89/809359089.db2.gz	HWDRWDYHAYNBGI-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
C#Cc1cc(Nc2cccc(C(=O)[O-])c2)ccc1F	ZINC001175331857	809359537	/nfs/dbraw/zinc/35/95/37/809359537.db2.gz	PESRJQFKVFDPGJ-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175332838	809359652	/nfs/dbraw/zinc/35/96/52/809359652.db2.gz	YAQPUQBKJREIKI-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2cc([N+](=O)[O-])ccc2F)c1	ZINC001175737988	809524578	/nfs/dbraw/zinc/52/45/78/809524578.db2.gz	BIJAZZGXTBVVCT-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#Cc1cc(Nc2c(F)cc(F)c([O-])c2F)cs1	ZINC001176669103	809738544	/nfs/dbraw/zinc/73/85/44/809738544.db2.gz	DIACPYJTUBKURB-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176680364	809741977	/nfs/dbraw/zinc/74/19/77/809741977.db2.gz	QXUJRXSIAZCACP-UHFFFAOYSA-N	-1	0	282.255	3.018	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176679806	809742032	/nfs/dbraw/zinc/74/20/32/809742032.db2.gz	OHWPSSKNGQORCN-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])cc1	ZINC001176712617	809747968	/nfs/dbraw/zinc/74/79/68/809747968.db2.gz	KQXZTBLEBXIUGO-UHFFFAOYSA-N	-1	0	252.273	3.194	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1	ZINC001213632000	815314802	/nfs/dbraw/zinc/31/48/02/815314802.db2.gz	QHNHFTNVVQKLFF-UHFFFAOYSA-N	-1	0	295.338	3.459	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc2[nH]c(=O)ccc12	ZINC001213969396	815352897	/nfs/dbraw/zinc/35/28/97/815352897.db2.gz	CDIPZCDYNGMHAT-UHFFFAOYSA-N	-1	0	283.312	3.323	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2ccc([O-])cc2F)s1	ZINC001186310570	810327014	/nfs/dbraw/zinc/32/70/14/810327014.db2.gz	GFUQCLNHMRYHFO-UHFFFAOYSA-N	-1	0	276.292	3.025	20	30		CGEDRM
Cc1cc(SCC(=O)c2ccc(O)c(O)c2)ccc1C#N	ZINC001189581864	810579184	/nfs/dbraw/zinc/57/91/84/810579184.db2.gz	BRUCMFWWQMRGBC-UHFFFAOYSA-N	-1	0	299.351	3.253	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2scnc2C(C)C)CC1	ZINC001190776370	810647573	/nfs/dbraw/zinc/64/75/73/810647573.db2.gz	DLNRPVIOJZERFF-UHFFFAOYSA-N	-1	0	286.422	3.117	20	30		CGEDRM
C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(C#N)c2)c2ccccc21	ZINC001193515595	810902175	/nfs/dbraw/zinc/90/21/75/810902175.db2.gz	PDNWWOGXQDMZMN-MEDUHNTESA-N	-1	0	292.338	3.242	20	30		CGEDRM
CCCCCCCOC(=O)Nc1ncc(F)cc1[O-]	ZINC001193993638	810997655	/nfs/dbraw/zinc/99/76/55/810997655.db2.gz	LDQNFTPNPYXPAZ-UHFFFAOYSA-N	-1	0	270.304	3.445	20	30		CGEDRM
N#Cc1cc(NC(=O)Oc2ccc(F)cc2)c([O-])cc1F	ZINC001195039842	811188876	/nfs/dbraw/zinc/18/88/76/811188876.db2.gz	GVMMVZCCMULVSW-UHFFFAOYSA-N	-1	0	290.225	3.153	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cccc3cc[nH]c32)c([O-])cc1F	ZINC001201322838	811812301	/nfs/dbraw/zinc/81/23/01/811812301.db2.gz	UHPWUYDYOVJYJW-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
C=Cc1cccc(NS(=O)(=O)c2ccc(C)c(C#N)c2)c1	ZINC001201322684	811813101	/nfs/dbraw/zinc/81/31/01/811813101.db2.gz	RFIHMRPWBOEQLN-UHFFFAOYSA-N	-1	0	298.367	3.311	20	30		CGEDRM
C[C@H](C#N)c1ccc(Nc2cc(C(=O)[O-])cnc2F)cc1	ZINC001215129978	815486650	/nfs/dbraw/zinc/48/66/50/815486650.db2.gz	IRFMGDXOKWIMTO-SECBINFHSA-N	-1	0	285.278	3.290	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1Nc1cc(C(=O)[O-])cnc1F	ZINC001215130176	815486773	/nfs/dbraw/zinc/48/67/73/815486773.db2.gz	MYKNIIONNJZSTK-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
N#Cc1cc(NC(=O)Nc2cccc(F)c2)c([O-])cc1F	ZINC001202230469	812045926	/nfs/dbraw/zinc/04/59/26/812045926.db2.gz	YSNTXHHABLZFJS-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#Cc1cccc(Nc2ccsc2C(=O)[O-])c1F	ZINC001215394289	815515854	/nfs/dbraw/zinc/51/58/54/815515854.db2.gz	SRPBPOCCBLJYME-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
C#Cc1cccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001203324426	812312114	/nfs/dbraw/zinc/31/21/14/812312114.db2.gz	JJEOXOHMLSDFRO-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(F)c(C(=O)[O-])c3F)cnc12	ZINC001205100795	812864114	/nfs/dbraw/zinc/86/41/14/812864114.db2.gz	VMJJZTGDQBKJOY-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccsc2C(=O)[O-])c1	ZINC001205615261	813023784	/nfs/dbraw/zinc/02/37/84/813023784.db2.gz	YDXAXKITBJLGLL-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1csc(C(=O)[O-])c1	ZINC001206249820	813256446	/nfs/dbraw/zinc/25/64/46/813256446.db2.gz	FRAOKTXMNVEWRY-UHFFFAOYSA-N	-1	0	285.328	3.044	20	30		CGEDRM
N#Cc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1[O-])C2	ZINC001206457049	813326275	/nfs/dbraw/zinc/32/62/75/813326275.db2.gz	RTIPAHOPCXNYPA-UHFFFAOYSA-N	-1	0	286.281	3.058	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)s2)cc1C(=O)[O-]	ZINC001209901740	814193995	/nfs/dbraw/zinc/19/39/95/814193995.db2.gz	SJHVMZHQOPCLFL-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(Nc2csc(C#N)c2)cc1C(=O)[O-]	ZINC001209901017	814194248	/nfs/dbraw/zinc/19/42/48/814194248.db2.gz	PMQQIKAYNWXFGM-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(Nc2ccccc2CC#N)cc1C(=O)[O-]	ZINC001209903345	814195621	/nfs/dbraw/zinc/19/56/21/814195621.db2.gz	SJRBKMZAQZMYHV-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
N#Cc1ncccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl	ZINC001210142099	814309213	/nfs/dbraw/zinc/30/92/13/814309213.db2.gz	PAZFXNUZCKSYAK-UHFFFAOYSA-N	-1	0	299.092	3.243	20	30		CGEDRM
N#CCc1cccc(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210241796	814361459	/nfs/dbraw/zinc/36/14/59/814361459.db2.gz	WMAWIHHBRUZXMI-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1	ZINC001215826711	815606762	/nfs/dbraw/zinc/60/67/62/815606762.db2.gz	QIHTVKBGGLVUIO-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1	ZINC001210557036	814524268	/nfs/dbraw/zinc/52/42/68/814524268.db2.gz	WXFROFIMLJGAEF-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1cccc([O-])c1Cl	ZINC001210855725	814651907	/nfs/dbraw/zinc/65/19/07/814651907.db2.gz	TXTFYWTVAMRXPH-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
COc1cccc(Nc2ccccc2C(=O)[O-])c1C#N	ZINC001210968509	814695342	/nfs/dbraw/zinc/69/53/42/814695342.db2.gz	JCMYEPLOTSBOCT-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1cc(Nc2ccccc2C(=O)[O-])ccc1C#N	ZINC001210969839	814696178	/nfs/dbraw/zinc/69/61/78/814696178.db2.gz	XDEOKNAYCYERMV-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)c([O-])cc2F)cc1C#N	ZINC001211349312	814883663	/nfs/dbraw/zinc/88/36/63/814883663.db2.gz	CWUSEBLWHOLKPV-UHFFFAOYSA-N	-1	0	270.238	3.275	20	30		CGEDRM
Cc1cc(Nc2sccc2C#N)cc(C(=O)[O-])c1	ZINC001211534863	814903234	/nfs/dbraw/zinc/90/32/34/814903234.db2.gz	HGIFCUXKJLIMNN-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001211543079	814904668	/nfs/dbraw/zinc/90/46/68/814904668.db2.gz	WNIVUYPFZVJGFK-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(F)cccc1C#N	ZINC001211622534	814919719	/nfs/dbraw/zinc/91/97/19/814919719.db2.gz	HENIFLLZGAWWNI-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cnoc1[N-]c1cc(-c2ccccc2)cnc1F	ZINC001216070665	815679802	/nfs/dbraw/zinc/67/98/02/815679802.db2.gz	UMIKYFADAUNTKW-UHFFFAOYSA-N	-1	0	280.262	3.491	20	30		CGEDRM
CCOC(=O)c1cc(C#N)c(C)nc1-c1cccc([S-])c1	ZINC001242865692	823158368	/nfs/dbraw/zinc/15/83/68/823158368.db2.gz	MYWNIIVLUKVPNA-UHFFFAOYSA-N	-1	0	298.367	3.394	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2cc(CC(=O)[O-])ccc2F)c1	ZINC001216683994	815893781	/nfs/dbraw/zinc/89/37/81/815893781.db2.gz	YHQMQNHSFUUUBT-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#Cc1ccc(-c2noc(-c3cccc([O-])c3Cl)n2)nc1	ZINC001216790898	815895956	/nfs/dbraw/zinc/89/59/56/815895956.db2.gz	OMUJILTXEUYHAD-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3c(F)ccc(F)c3[O-])n2)c1	ZINC001216924961	815901174	/nfs/dbraw/zinc/90/11/74/815901174.db2.gz	IMAKCXJKOBWTIS-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#CCc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1C#N	ZINC001222403741	816434820	/nfs/dbraw/zinc/43/48/20/816434820.db2.gz	VZUBEVPRRXNZPL-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)nc(C)c1C#N	ZINC001222673015	816496643	/nfs/dbraw/zinc/49/66/43/816496643.db2.gz	VERKBJKPSWBJPP-UHFFFAOYSA-N	-1	0	292.338	3.353	20	30		CGEDRM
C#C[C@@H](CCC)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223592495	816654220	/nfs/dbraw/zinc/65/42/20/816654220.db2.gz	AYANZXYMRXVQLZ-AHAXBBEGSA-N	-1	0	251.713	3.294	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])OC2CCCCC2)c1	ZINC001223893155	816699022	/nfs/dbraw/zinc/69/90/22/816699022.db2.gz	RHMGXVZUTSMBJI-NXVVXOECSA-N	-1	0	279.336	3.189	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225513203	817080162	/nfs/dbraw/zinc/08/01/62/817080162.db2.gz	FVGHBNXTAZERJM-GFCCVEGCSA-N	-1	0	284.377	3.447	20	30		CGEDRM
N#CC1CCC(Oc2c(F)c(F)c([O-])c(F)c2F)CC1	ZINC001225879100	817203685	/nfs/dbraw/zinc/20/36/85/817203685.db2.gz	IFSXWXYMYYMZPQ-UHFFFAOYSA-N	-1	0	289.228	3.410	20	30		CGEDRM
Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008671	817246830	/nfs/dbraw/zinc/24/68/30/817246830.db2.gz	LQGKBSSDHCMCJQ-SNVBAGLBSA-N	-1	0	272.279	3.246	20	30		CGEDRM
CC(C)CC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226007966	817247534	/nfs/dbraw/zinc/24/75/34/817247534.db2.gz	BZKUWXDZYWPPTA-SECBINFHSA-N	-1	0	252.289	3.001	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(F)c1	ZINC001226012576	817249535	/nfs/dbraw/zinc/24/95/35/817249535.db2.gz	BKTIDUAQEWFASM-QMMMGPOBSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069030	817263783	/nfs/dbraw/zinc/26/37/83/817263783.db2.gz	YFJLCAQGKAFDAX-VIFPVBQESA-N	-1	0	298.264	3.104	20	30		CGEDRM
N#Cc1cccnc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001243153999	823266475	/nfs/dbraw/zinc/26/64/75/823266475.db2.gz	VTUDQCLYEGAFHT-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(/C=N/O)ccc2F)c1	ZINC001243177542	823274809	/nfs/dbraw/zinc/27/48/09/823274809.db2.gz	JXXUPIKGPDQSOM-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227348048	817628420	/nfs/dbraw/zinc/62/84/20/817628420.db2.gz	USMDTVORSNWHGJ-LLVKDONJSA-N	-1	0	256.305	3.153	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cc(C)cc(C(=O)[O-])c2)n1	ZINC001243178276	823275424	/nfs/dbraw/zinc/27/54/24/823275424.db2.gz	NASPIIZVYWZWIQ-UHFFFAOYSA-N	-1	0	284.315	3.023	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2nc3c(cc2C#N)CCC3)c1	ZINC001243179540	823276107	/nfs/dbraw/zinc/27/61/07/823276107.db2.gz	WNIWNHYFUKBUIO-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccccc2CC#N)c1	ZINC001243182861	823277668	/nfs/dbraw/zinc/27/76/68/823277668.db2.gz	TYDUUKLCEORLHK-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227606023	817680662	/nfs/dbraw/zinc/68/06/62/817680662.db2.gz	WMFWMCFTLQVPCE-YFKPBYRVSA-N	-1	0	297.207	3.355	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227716279	817702666	/nfs/dbraw/zinc/70/26/66/817702666.db2.gz	NIRCBTUFGFKFRQ-GHMZBOCLSA-N	-1	0	278.352	3.287	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243195170	823284937	/nfs/dbraw/zinc/28/49/37/823284937.db2.gz	LBPHXFOBCHOABS-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
C#C[C@H](CC)Oc1cc(-c2ccccc2)nc(=S)[nH]1	ZINC001228347241	817883864	/nfs/dbraw/zinc/88/38/64/817883864.db2.gz	QQGTYIBQOVRXEM-GFCCVEGCSA-N	-1	0	270.357	3.223	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]ncc(=O)c1Cl	ZINC001228387964	817895387	/nfs/dbraw/zinc/89/53/87/817895387.db2.gz	AZIRDZSNJZAHHQ-GFCCVEGCSA-N	-1	0	288.734	3.045	20	30		CGEDRM
N#C[C@@H]1CCCCN1Cc1ccc(O)c(C(F)(F)F)c1	ZINC001231521847	818120879	/nfs/dbraw/zinc/12/08/79/818120879.db2.gz	FIPQBGOQEXYHEA-NSHDSACASA-N	-1	0	284.281	3.289	20	30		CGEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCc3cccc(Cl)c3C2)c1	ZINC001232677973	818416931	/nfs/dbraw/zinc/41/69/31/818416931.db2.gz	NGZNCUPQFUFLMG-UHFFFAOYSA-N	-1	0	298.773	3.476	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243323020	823347032	/nfs/dbraw/zinc/34/70/32/823347032.db2.gz	SRAUQWAEVAKJAE-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N	ZINC001233919342	818730527	/nfs/dbraw/zinc/73/05/27/818730527.db2.gz	IDALKCKOKUWLIS-SUZMYJTESA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=C[C@H](CCCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234519072	818872198	/nfs/dbraw/zinc/87/21/98/818872198.db2.gz	DCTJBKDMMGTBGD-GFCCVEGCSA-N	-1	0	283.331	3.331	20	30		CGEDRM
C=CC[C@@H](C=C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234822858	818927562	/nfs/dbraw/zinc/92/75/62/818927562.db2.gz	ZBQSIKQPZMSMEL-GFCCVEGCSA-N	-1	0	272.300	3.317	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235078779	818996871	/nfs/dbraw/zinc/99/68/71/818996871.db2.gz	RQFGKPQMUXRFBM-RMKNXTFCSA-N	-1	0	296.326	3.115	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])cc2)ccc1F	ZINC001236064738	819297184	/nfs/dbraw/zinc/29/71/84/819297184.db2.gz	TWXBGCGZUGBADA-RQZCQDPDSA-N	-1	0	273.263	3.171	20	30		CGEDRM
N#Cc1cnc2cc(-c3ccc(C(=O)[O-])cc3)ccc2c1	ZINC001236064789	819297407	/nfs/dbraw/zinc/29/74/07/819297407.db2.gz	WJBPHKSMZILUTP-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
Cc1c(Cl)c(-c2nccc(C#N)c2F)ccc1C(=O)[O-]	ZINC001236113838	819326426	/nfs/dbraw/zinc/32/64/26/819326426.db2.gz	NWLNGBYKAWPMCS-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1c(F)cncc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236164030	819350929	/nfs/dbraw/zinc/35/09/29/819350929.db2.gz	HSBWGPZJIVIDON-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
Cc1ccc(F)c(-c2ncnc3cc(C#N)ccc32)c1[O-]	ZINC001236394531	819448787	/nfs/dbraw/zinc/44/87/87/819448787.db2.gz	YOHZHWSYYWQFNB-UHFFFAOYSA-N	-1	0	279.274	3.322	20	30		CGEDRM
Cc1ccc(F)c(-c2ccc(C#N)cc2C#N)c1[O-]	ZINC001236406538	819454362	/nfs/dbraw/zinc/45/43/62/819454362.db2.gz	XCZAYZIDSQNJKW-UHFFFAOYSA-N	-1	0	252.248	3.250	20	30		CGEDRM
C=CCOc1ccc(-c2cc(F)cc(F)c2[O-])nc1C#N	ZINC001243501989	823421667	/nfs/dbraw/zinc/42/16/67/823421667.db2.gz	PFKGTWBSEKAADJ-UHFFFAOYSA-N	-1	0	288.253	3.169	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)cc(F)c1[O-])CCC2	ZINC001243501609	823420885	/nfs/dbraw/zinc/42/08/85/823420885.db2.gz	LFQSQWCIZZYESF-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243515267	823427403	/nfs/dbraw/zinc/42/74/03/823427403.db2.gz	SOFQPLCBUBEOKU-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(Cl)c([O-])c1)CCC2	ZINC001243579457	823452852	/nfs/dbraw/zinc/45/28/52/823452852.db2.gz	VJJDXIDALJLIFH-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
CC(C)Oc1cnc(F)c(-c2ccccc2C=N[O-])c1	ZINC001238906913	820152097	/nfs/dbraw/zinc/15/20/97/820152097.db2.gz	KQPQZOQMAFKSDG-UHFFFAOYSA-N	-1	0	274.295	3.483	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cccc(C=CC(=O)[O-])c3)c12	ZINC001240549417	821135270	/nfs/dbraw/zinc/13/52/70/821135270.db2.gz	HNHCLUGMHIKRRF-SNAWJCMRSA-N	-1	0	289.294	3.199	20	30		CGEDRM
N#Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001240549714	821136413	/nfs/dbraw/zinc/13/64/13/821136413.db2.gz	BBLDOJAYWOHUIV-FNORWQNLSA-N	-1	0	274.279	3.195	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240550795	821137655	/nfs/dbraw/zinc/13/76/55/821137655.db2.gz	OAUYIZJOBGMLIE-VMPITWQZSA-N	-1	0	297.285	3.471	20	30		CGEDRM
Cc1nccc(-c2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001240552436	821138080	/nfs/dbraw/zinc/13/80/80/821138080.db2.gz	GVIPSMBKXOZCFR-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
COc1cc(-c2cccc(C)c2C#N)ccc1C(=O)[O-]	ZINC001240743533	821295417	/nfs/dbraw/zinc/29/54/17/821295417.db2.gz	OARZIVJRELMNOV-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
COc1cc(-c2ccc(CC(=O)[O-])cc2)ccc1CC#N	ZINC001240973433	821457379	/nfs/dbraw/zinc/45/73/79/821457379.db2.gz	HODWAGKNNUAPMH-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
N#Cc1ccc2c(c1)nccc2-c1ccc(CC(=O)[O-])cc1	ZINC001240973115	821457660	/nfs/dbraw/zinc/45/76/60/821457660.db2.gz	ATKMLBQAHZTLDH-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(C(=O)[O-])c(F)c1	ZINC001241183775	821620611	/nfs/dbraw/zinc/62/06/11/821620611.db2.gz	CIMDWHHURZNPQD-UHFFFAOYSA-N	-1	0	297.289	3.122	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cccc(C(=O)[O-])c2)cn1	ZINC001241358884	821759994	/nfs/dbraw/zinc/75/99/94/821759994.db2.gz	OBNOKVLAJOZSPC-UHFFFAOYSA-N	-1	0	266.300	3.248	20	30		CGEDRM
COc1cc(-c2cccc(C(=O)[O-])c2)ccc1CC#N	ZINC001241359171	821760167	/nfs/dbraw/zinc/76/01/67/821760167.db2.gz	KTCKQVVAQAJSJH-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
Cc1nc(C#N)cnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242152269	822896065	/nfs/dbraw/zinc/89/60/65/822896065.db2.gz	BCHAUOZBJJZYBT-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(C2(C#N)CC2)ccn1	ZINC001242210155	822911411	/nfs/dbraw/zinc/91/14/11/822911411.db2.gz	QAIIJMSRWXALBR-UHFFFAOYSA-N	-1	0	296.301	3.450	20	30		CGEDRM
COc1ccc(-c2cccc(CC(=O)[O-])c2)c(CC#N)c1	ZINC001242263420	822929707	/nfs/dbraw/zinc/92/97/07/822929707.db2.gz	DAHBNCWXSPIAFV-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cccc(Cl)c3[O-])cc12	ZINC001242367103	822969841	/nfs/dbraw/zinc/96/98/41/822969841.db2.gz	IOCKRHFQXVBTQS-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
Cc1nc(-c2ccc([O-])c(C#N)c2)nc2ccccc12	ZINC001242562868	823033395	/nfs/dbraw/zinc/03/33/95/823033395.db2.gz	MAQCAUSZHSMUID-UHFFFAOYSA-N	-1	0	261.284	3.183	20	30		CGEDRM
C#CC[C@@H](C)OC(=O)c1cccc2[nH]c(C(F)F)nc21	ZINC001343539359	936505395	/nfs/dbraw/zinc/50/53/95/936505395.db2.gz	ZTOKQZGGDWKJGN-MRVPVSSYSA-N	-1	0	278.258	3.069	20	30		CGEDRM
C=C(C)CCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC001347564868	936888295	/nfs/dbraw/zinc/88/82/95/936888295.db2.gz	VKNVFJXIOIQQDF-UHFFFAOYSA-N	-1	0	280.349	3.014	20	30		CGEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)c(C)c1	ZINC001228901700	927308799	/nfs/dbraw/zinc/30/87/99/927308799.db2.gz	NQARNPBXUMVPTF-GFCCVEGCSA-N	-1	0	268.316	3.416	20	30		CGEDRM
C#Cc1cccc(N(CC)C(=O)c2ccc(O)cc2F)c1	ZINC001443413655	937346884	/nfs/dbraw/zinc/34/68/84/937346884.db2.gz	XMWXZFHOHNJWQX-UHFFFAOYSA-N	-1	0	283.302	3.179	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)cc2[O-])cc([N+](=O)[O-])c1	ZINC001211328041	932011375	/nfs/dbraw/zinc/01/13/75/932011375.db2.gz	TYIOYLNHHLZUEA-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000315045465	932029948	/nfs/dbraw/zinc/02/99/48/932029948.db2.gz	BRYQHIHWQZLXCP-CYBMUJFWSA-N	-1	0	296.411	3.018	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2ccc(Cl)cc21	ZINC001228901677	932048382	/nfs/dbraw/zinc/04/83/82/932048382.db2.gz	NPGACTTYHQJTTG-ZDUSSCGKSA-N	-1	0	286.718	3.379	20	30		CGEDRM
C=C(C)C[C@H](Oc1nc[n-]c(=O)c1Cl)C(=C)C	ZINC001230016347	932522925	/nfs/dbraw/zinc/52/29/25/932522925.db2.gz	GWNJXMATWDHBKO-VIFPVBQESA-N	-1	0	254.717	3.125	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)[C@H](C)S	ZINC001230886481	932636476	/nfs/dbraw/zinc/63/64/76/932636476.db2.gz	RBWSTISGOJXVHU-RQJHMYQMSA-N	-1	0	284.768	3.074	20	30		CGEDRM
N#C[C@H]1CC[C@@H](Oc2cccc3oc(=S)[n-]c32)C1	ZINC001231063266	932669682	/nfs/dbraw/zinc/66/96/82/932669682.db2.gz	DHQFYCPQTPYWSZ-DTWKUNHWSA-N	-1	0	260.318	3.188	20	30		CGEDRM
CC(C)CN(CCC#N)C(=O)c1ccc(Cl)c([O-])c1	ZINC001464503569	937691713	/nfs/dbraw/zinc/69/17/13/937691713.db2.gz	GDHUKFOUBJNBEQ-UHFFFAOYSA-N	-1	0	280.755	3.057	20	30		CGEDRM
Cc1cc(Cl)cc(NC(=O)c2coc(C#N)c2)c1O	ZINC001466545342	937710295	/nfs/dbraw/zinc/71/02/95/937710295.db2.gz	WFAIWQHACUDVAW-UHFFFAOYSA-N	-1	0	276.679	3.071	20	30		CGEDRM
C=CCO[N-]C(=O)C(c1ccccc1)c1ccccc1	ZINC001468107696	937724789	/nfs/dbraw/zinc/72/47/89/937724789.db2.gz	WDEPXRLCSXDAQW-UHFFFAOYSA-N	-1	0	267.328	3.052	20	30		CGEDRM
C=CC[C@@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-]	ZINC001327013855	935021609	/nfs/dbraw/zinc/02/16/09/935021609.db2.gz	OSSVJYYZIAVGFX-JXQTWKCFSA-N	-1	0	295.423	3.375	20	30		CGEDRM
C=CC[C@@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-]	ZINC001330513642	935291862	/nfs/dbraw/zinc/29/18/62/935291862.db2.gz	NRZIWERBNGPDCP-OAHLLOKOSA-N	-1	0	287.359	3.103	20	30		CGEDRM
CCc1ccsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001524705216	938044996	/nfs/dbraw/zinc/04/49/96/938044996.db2.gz	OXUXPCJTBZOGTO-JTQLQIEISA-N	-1	0	274.320	3.335	20	30		CGEDRM
N#Cc1cc(CSCc2cccc(C(=O)[O-])c2)ccn1	ZINC001601086670	970929325	/nfs/dbraw/zinc/92/93/25/970929325.db2.gz	CTHZBPOWTHDARM-UHFFFAOYSA-N	-1	0	284.340	3.085	20	30		CGEDRM
C=C1CCC(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)CC1	ZINC001602713051	971360470	/nfs/dbraw/zinc/36/04/70/971360470.db2.gz	JMQOANICFCYMTH-UHFFFAOYSA-N	-1	0	287.359	3.169	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001602717371	971366251	/nfs/dbraw/zinc/36/62/51/971366251.db2.gz	KIBHDUGJLKHVKK-LLVKDONJSA-N	-1	0	292.310	3.096	20	30		CGEDRM
C=CCCC[C@@H](C(=O)N[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001602719258	971383775	/nfs/dbraw/zinc/38/37/75/971383775.db2.gz	ZMHWWNIECVMLGH-HUUCEWRRSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCCCCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000383753534	951258986	/nfs/dbraw/zinc/25/89/86/951258986.db2.gz	WRNZFQOCACILAH-UHFFFAOYSA-N	-1	0	276.336	3.171	20	30		CGEDRM
N#C[C@@H](SCCC(=O)[O-])c1ccc(Cl)cc1	ZINC001594601173	956131625	/nfs/dbraw/zinc/13/16/25/956131625.db2.gz	JJZZZMICXNSEAD-SNVBAGLBSA-N	-1	0	255.726	3.113	20	30		CGEDRM
C#Cc1cccc(NCc2cc(C(=O)[O-])cs2)c1	ZINC000095004207	958325515	/nfs/dbraw/zinc/32/55/15/958325515.db2.gz	PJMRKPFIHBMLBB-UHFFFAOYSA-N	-1	0	257.314	3.040	20	30		CGEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])nc1	ZINC000128103846	958632408	/nfs/dbraw/zinc/63/24/08/958632408.db2.gz	TYPSOKWFAOGSLA-UHFFFAOYSA-N	-1	0	264.325	3.079	20	30		CGEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1Cl	ZINC000226055141	959869790	/nfs/dbraw/zinc/86/97/90/959869790.db2.gz	YQABUXXMTSIWFS-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001588806025	960491001	/nfs/dbraw/zinc/49/10/01/960491001.db2.gz	YNJHDCNQVAYHGG-UHFFFAOYSA-N	-1	0	282.365	3.103	20	30		CGEDRM
CCCCCCCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001603640787	960554117	/nfs/dbraw/zinc/55/41/17/960554117.db2.gz	RIMAWYRJHWDNHY-MRXNPFEDSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C=CCC1(C(=O)NCc2cccc(C(=O)[O-])c2)CCCC1	ZINC001573467242	962258510	/nfs/dbraw/zinc/25/85/10/962258510.db2.gz	XYMOXPQYRWMJNV-UHFFFAOYSA-N	-1	0	287.359	3.138	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588535696	962757903	/nfs/dbraw/zinc/75/79/03/962757903.db2.gz	KKPUOBSWIBSNAN-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CC1	ZINC001573344058	962911281	/nfs/dbraw/zinc/91/12/81/962911281.db2.gz	MZAUUKMUQSIZEX-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001573345063	962925630	/nfs/dbraw/zinc/92/56/30/962925630.db2.gz	FWCFTAQNZWPUFC-OAHLLOKOSA-N	-1	0	281.311	3.293	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1	ZINC001573346595	962940119	/nfs/dbraw/zinc/94/01/19/962940119.db2.gz	DMHGBCZQJKCVBH-LBPRGKRZSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=CCCCCCN(C)C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001573364679	963049996	/nfs/dbraw/zinc/04/99/96/963049996.db2.gz	ALHIXEQCQVTHCO-CMDGGOBGSA-N	-1	0	291.347	3.196	20	30		CGEDRM
C=C(C)CCSCCc1ccc(-c2nn[nH]n2)cc1	ZINC001588423980	963265677	/nfs/dbraw/zinc/26/56/77/963265677.db2.gz	DZTRYHYPZCWSTG-UHFFFAOYSA-N	-1	0	274.393	3.109	20	30		CGEDRM
C=C(C)CCN1C[C@H](CCC(=O)[O-])Cc2ccccc21	ZINC001588441591	963270319	/nfs/dbraw/zinc/27/03/19/963270319.db2.gz	KKKBAWNLBAXIBG-CQSZACIVSA-N	-1	0	273.376	3.496	20	30		CGEDRM
C#CCOc1ccc(CNc2ccc(C(=O)[O-])c(C)c2)cc1	ZINC001588433733	963271269	/nfs/dbraw/zinc/27/12/69/963271269.db2.gz	UJEVCHCIWCWGAA-UHFFFAOYSA-N	-1	0	295.338	3.317	20	30		CGEDRM
C=CC1(CC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCCC1	ZINC001588453288	963276257	/nfs/dbraw/zinc/27/62/57/963276257.db2.gz	WTSNEINGPDZTFX-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCC1(C(=O)NCCCCCC(=O)[O-])CCCCC1	ZINC001588458349	963276738	/nfs/dbraw/zinc/27/67/38/963276738.db2.gz	SJVRFPVFTWGYEK-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1	ZINC001588516589	963278021	/nfs/dbraw/zinc/27/80/21/963278021.db2.gz	QSEHWPPOYKNZRL-UHFFFAOYSA-N	-1	0	299.351	3.297	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCC1CCOCC1	ZINC001588577536	963285314	/nfs/dbraw/zinc/28/53/14/963285314.db2.gz	WTKBKJMUIXVJDP-UHFFFAOYSA-N	-1	0	290.359	3.309	20	30		CGEDRM
C=C(C)CC[C@@H](C)OC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001588559913	963286516	/nfs/dbraw/zinc/28/65/16/963286516.db2.gz	VHUUUAYOJVJKDD-GXMKHXEJSA-N	-1	0	278.304	3.279	20	30		CGEDRM
C=C1CCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC1	ZINC001588644425	963297627	/nfs/dbraw/zinc/29/76/27/963297627.db2.gz	WAIKVEJEEPPVRK-UHFFFAOYSA-N	-1	0	295.423	3.328	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1	ZINC001588649883	963299773	/nfs/dbraw/zinc/29/97/73/963299773.db2.gz	JWNMUCNKLQPVFF-UHFFFAOYSA-N	-1	0	295.285	3.348	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588673367	963301144	/nfs/dbraw/zinc/30/11/44/963301144.db2.gz	SQNOSSCCKPSHNG-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001588718811	963307481	/nfs/dbraw/zinc/30/74/81/963307481.db2.gz	GNKKIEMFRVWTEQ-CYBMUJFWSA-N	-1	0	288.347	3.266	20	30		CGEDRM
C=CCC(C)(C)c1noc([C@H]2CC[C@@H](CCC(=O)[O-])O2)n1	ZINC001588736652	963308406	/nfs/dbraw/zinc/30/84/06/963308406.db2.gz	QKBVPQGFKIWFOG-WDEREUQCSA-N	-1	0	294.351	3.008	20	30		CGEDRM
C=CCC1(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC001588763286	963308907	/nfs/dbraw/zinc/30/89/07/963308907.db2.gz	SBTTVYBLLLZOHT-AWEZNQCLSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588736395	963311295	/nfs/dbraw/zinc/31/12/95/963311295.db2.gz	YRJGKQLHHSOBES-CYBMUJFWSA-N	-1	0	290.363	3.423	20	30		CGEDRM
C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC001588736924	963311301	/nfs/dbraw/zinc/31/13/01/963311301.db2.gz	ZRYVWHLKBPGLSA-VIFPVBQESA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CCC(C)(C)C(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC001588736430	963312995	/nfs/dbraw/zinc/31/29/95/963312995.db2.gz	JJCPSFAWYKPOCT-UHFFFAOYSA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=CCC[C@H](C(=O)O[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC001588776887	963317587	/nfs/dbraw/zinc/31/75/87/963317587.db2.gz	MBJGGOFRZULQHO-KBPBESRZSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)NCCCCCCC(=O)[O-]	ZINC001588782569	963318046	/nfs/dbraw/zinc/31/80/46/963318046.db2.gz	WIQLHJLYJFULJH-AWEZNQCLSA-N	-1	0	296.411	3.162	20	30		CGEDRM
C=CCn1ncc2ccc(NCc3cc(C(=O)[O-])co3)cc21	ZINC001588912357	963324968	/nfs/dbraw/zinc/32/49/68/963324968.db2.gz	HLDLZESZCXACEG-UHFFFAOYSA-N	-1	0	297.314	3.126	20	30		CGEDRM
C#CCCCCCC(=O)O[C@H](C(=O)[O-])c1ccsc1	ZINC001588440923	964048387	/nfs/dbraw/zinc/04/83/87/964048387.db2.gz	YRXUISHXDVALMR-ZDUSSCGKSA-N	-1	0	280.345	3.001	20	30		CGEDRM
C#CCCCCCCN(C)c1ccc(OCC(=O)[O-])cc1	ZINC001588442266	964055685	/nfs/dbraw/zinc/05/56/85/964055685.db2.gz	PWILRRWQTOJMLZ-UHFFFAOYSA-N	-1	0	289.375	3.170	20	30		CGEDRM
N#CC1CCC(CNc2cccc(CC(=O)[O-])c2)CC1	ZINC001605582660	973867498	/nfs/dbraw/zinc/86/74/98/973867498.db2.gz	BRJPYPTXWMGOCJ-UHFFFAOYSA-N	-1	0	272.348	3.056	20	30		CGEDRM
C[C@@H](CC#N)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-]	ZINC001592221745	977403090	/nfs/dbraw/zinc/40/30/90/977403090.db2.gz	MUCVOXPAESQQLL-QMMMGPOBSA-N	-1	0	294.376	3.232	20	30		CGEDRM
C[C@@H](CCC#N)Sc1nc2ccc(C(=O)[O-])cc2o1	ZINC001592471198	978229830	/nfs/dbraw/zinc/22/98/30/978229830.db2.gz	QMHCCCHVBKLUQJ-QMMMGPOBSA-N	-1	0	276.317	3.310	20	30		CGEDRM
CCCC[C@@H](SCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001595656806	982056022	/nfs/dbraw/zinc/05/60/22/982056022.db2.gz	CFQICSRBOKNUFU-CYBMUJFWSA-N	-1	0	263.362	3.435	20	30		CGEDRM
CCCCCCCCCNC(=O)c1ccnc(C(=O)[O-])c1	ZINC001595705412	982286009	/nfs/dbraw/zinc/28/60/09/982286009.db2.gz	ZEANRDQOHOCBJV-UHFFFAOYSA-N	-1	0	292.379	3.260	20	30		CGEDRM
CCc1oc(CNc2cccc(CC#N)c2)cc1C(=O)[O-]	ZINC001597804989	989409839	/nfs/dbraw/zinc/40/98/39/989409839.db2.gz	QKRYTTLBPKICSC-UHFFFAOYSA-N	-1	0	284.315	3.218	20	30		CGEDRM
COCc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001599295494	997132804	/nfs/dbraw/zinc/13/28/04/997132804.db2.gz	NFUFPXKGXOZZPJ-AATRIKPKSA-N	-1	0	286.283	3.020	20	30		CGEDRM
CC1(CNc2ccc(C(=O)[O-])nc2C#N)CCCCCC1	ZINC001594030236	997591314	/nfs/dbraw/zinc/59/13/14/997591314.db2.gz	KSPRWGBNMLDDKL-UHFFFAOYSA-N	-1	0	287.363	3.424	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N[C@H](C)c1ccc(C#N)cc1	ZINC001599376354	998492523	/nfs/dbraw/zinc/49/25/23/998492523.db2.gz	YCXSVNKXGGTSMO-LLVKDONJSA-N	-1	0	296.326	3.438	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)c(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC000592420871	346986409	/nfs/dbraw/zinc/98/64/09/346986409.db2.gz	KYYJQZZZLAZXDV-ZJUUUORDSA-N	-1	0	298.264	3.242	20	30		CGEDRM
CC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000254340604	346395185	/nfs/dbraw/zinc/39/51/85/346395185.db2.gz	BMYICMAFMUVJRK-UHFFFAOYSA-N	-1	0	284.271	3.254	20	30		CGEDRM
C[C@H]1C[C@@H]1c1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000601064105	347862041	/nfs/dbraw/zinc/86/20/41/347862041.db2.gz	MKRSFROGXDHOIP-FZMZJTMJSA-N	-1	0	296.374	3.028	20	30		CGEDRM
Cc1[n-]n(-c2nc3ccccc3cc2C)c(=O)c1CCC#N	ZINC000601950062	347928447	/nfs/dbraw/zinc/92/84/47/347928447.db2.gz	TWHFEFBAPAIDAN-AWEZNQCLSA-N	-1	0	292.342	3.186	20	30		CGEDRM
CCCc1cc(=O)n(-c2ccc(C#N)cc2C(F)(F)F)[n-]1	ZINC000601950497	347928576	/nfs/dbraw/zinc/92/85/76/347928576.db2.gz	VCWHXNONTCHCQN-UHFFFAOYSA-N	-1	0	295.264	3.470	20	30		CGEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000601985835	347931465	/nfs/dbraw/zinc/93/14/65/347931465.db2.gz	ZHNNKCUBZYKGCP-AWEZNQCLSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CCCCc1[n-]n(-c2cccc(C#N)c2)c(=O)c1C	ZINC000601933010	347925736	/nfs/dbraw/zinc/92/57/36/347925736.db2.gz	WOJIIQPOJMMFJU-NSHDSACASA-N	-1	0	255.321	3.087	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000617787028	349013014	/nfs/dbraw/zinc/01/30/14/349013014.db2.gz	GDJIWOZCWFQTBI-LLVKDONJSA-N	-1	0	279.767	3.474	20	30		CGEDRM
CC(C)Cc1nc(=N[C@@H]2CCc3cc(C#N)ccc32)s[n-]1	ZINC000618693161	349145552	/nfs/dbraw/zinc/14/55/52/349145552.db2.gz	AVGVXCZNKGMCIJ-CQSZACIVSA-N	-1	0	298.415	3.130	20	30		CGEDRM
C=CCC1(CNC(=O)c2cc(C)c(C(=O)[O-])o2)CCCC1	ZINC000630292721	350822014	/nfs/dbraw/zinc/82/20/14/350822014.db2.gz	UIUULMKQNOMAIQ-UHFFFAOYSA-N	-1	0	291.347	3.153	20	30		CGEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000630296479	350822030	/nfs/dbraw/zinc/82/20/30/350822030.db2.gz	DNJVIAWOSWRNMP-DZGCQCFKSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000630327043	350824154	/nfs/dbraw/zinc/82/41/54/350824154.db2.gz	VMQJQEIOABBLGX-ZIAGYGMSSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCOc1cccc(NC(=O)[C@](C)(CC)CC(=O)[O-])c1	ZINC000634818495	351592418	/nfs/dbraw/zinc/59/24/18/351592418.db2.gz	NVJWHPMROVYLRQ-MRXNPFEDSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)C(C)(C)CCC(=O)[O-]	ZINC000634853779	351596723	/nfs/dbraw/zinc/59/67/23/351596723.db2.gz	BTYBHBHBPDJSBG-UHFFFAOYSA-N	-1	0	295.404	3.154	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634899129	351601628	/nfs/dbraw/zinc/60/16/28/351601628.db2.gz	DEYKPSNBIJEBSW-WBMJQRKESA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000041547025	369191155	/nfs/dbraw/zinc/19/11/55/369191155.db2.gz	RSKKCUWQAYWIHZ-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519753	369356948	/nfs/dbraw/zinc/35/69/48/369356948.db2.gz	FJSZCFPDXJYGDT-UHFFFAOYSA-N	-1	0	295.404	3.257	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)oc2C)n1	ZINC000048520362	369357093	/nfs/dbraw/zinc/35/70/93/369357093.db2.gz	IYUPJOUPQNQMED-NSHDSACASA-N	-1	0	260.318	3.151	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(Cl)cc1	ZINC000505478409	244742285	/nfs/dbraw/zinc/74/22/85/244742285.db2.gz	CRHVNQJADNOYGU-CLTKARDFSA-N	-1	0	284.702	3.475	20	30		CGEDRM
CCc1cncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000434622454	372694861	/nfs/dbraw/zinc/69/48/61/372694861.db2.gz	FAYUBIQJXUONRK-ZDUSSCGKSA-N	-1	0	291.310	3.275	20	30		CGEDRM
CC(=Cc1cc2ccccc2o1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435336243	372751422	/nfs/dbraw/zinc/75/14/22/372751422.db2.gz	NJCDXFTXAWQSQJ-JXMROGBWSA-N	-1	0	291.310	3.257	20	30		CGEDRM
N#Cc1cccc(C2(C(=O)Nc3cc(F)ccc3O)CC2)c1	ZINC000334347707	374672972	/nfs/dbraw/zinc/67/29/72/374672972.db2.gz	RUCOHYUCVRIDGU-UHFFFAOYSA-N	-1	0	296.301	3.073	20	30		CGEDRM
CCc1cccc(C)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188355921	375201547	/nfs/dbraw/zinc/20/15/47/375201547.db2.gz	LOULDPPAXATTIA-UHFFFAOYSA-N	-1	0	280.327	3.387	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1[O-]	ZINC000189930993	375460223	/nfs/dbraw/zinc/46/02/23/375460223.db2.gz	RAIDCCYYLAGDSM-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1cnc2ccccc2n1	ZINC000190985696	375558487	/nfs/dbraw/zinc/55/84/87/375558487.db2.gz	RDOZMOPLZSVFAR-VIFPVBQESA-N	-1	0	297.701	3.366	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)co1	ZINC000190988414	375559142	/nfs/dbraw/zinc/55/91/42/375559142.db2.gz	STOGJXKGVTUIJT-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
N#Cc1csc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000335957102	375569662	/nfs/dbraw/zinc/56/96/62/375569662.db2.gz	GFDJRRZETMJPIY-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccc(C#N)cc1C	ZINC000336180776	375753328	/nfs/dbraw/zinc/75/33/28/375753328.db2.gz	ANZQWKFXRMOLOS-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000336290370	375772341	/nfs/dbraw/zinc/77/23/41/375772341.db2.gz	BCDGJJKOESTDSI-UHFFFAOYSA-N	-1	0	257.692	3.335	20	30		CGEDRM
N#CC(=C([O-])c1cc2sccc2s1)c1ccncn1	ZINC000544817547	376762217	/nfs/dbraw/zinc/76/22/17/376762217.db2.gz	VZVDVQLBWLMUKE-QMMMGPOBSA-N	-1	0	285.353	3.243	20	30		CGEDRM
C=CCCCN(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000578520296	378076715	/nfs/dbraw/zinc/07/67/15/378076715.db2.gz	VJWGPBNYISEMFE-UHFFFAOYSA-N	-1	0	287.281	3.449	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1cccc(Cl)c1[O-])OCC	ZINC000270452129	378354095	/nfs/dbraw/zinc/35/40/95/378354095.db2.gz	PLDNKEOGDRSPKA-GFCCVEGCSA-N	-1	0	283.755	3.355	20	30		CGEDRM
CCc1cccnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000346933035	378696355	/nfs/dbraw/zinc/69/63/55/378696355.db2.gz	DBCFQUMSQOYKJJ-LBPRGKRZSA-N	-1	0	291.310	3.275	20	30		CGEDRM
N#CC(=C([O-])c1cc2cc(Cl)ccc2o1)c1ccncn1	ZINC000354422515	380432340	/nfs/dbraw/zinc/43/23/40/380432340.db2.gz	RZWTXXMKEOKDBC-LLVKDONJSA-N	-1	0	297.701	3.366	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1cc(C(F)(F)F)ccn1	ZINC000362132578	381885934	/nfs/dbraw/zinc/88/59/34/381885934.db2.gz	BVKVSVVUOBTURO-JTQLQIEISA-N	-1	0	280.205	3.183	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000262985961	131277411	/nfs/dbraw/zinc/27/74/11/131277411.db2.gz	PUWUCRKZUWAZBE-ZIAGYGMSSA-N	-1	0	289.375	3.091	20	30		CGEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647376955	392711796	/nfs/dbraw/zinc/71/17/96/392711796.db2.gz	GATSDHRCGNAXRN-JTQLQIEISA-N	-1	0	271.345	3.147	20	30		CGEDRM
C=CCOCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000345643500	393062033	/nfs/dbraw/zinc/06/20/33/393062033.db2.gz	CBEGTJYRGBYJDW-UHFFFAOYSA-N	-1	0	287.718	3.106	20	30		CGEDRM
CC(C)C[C@@H](Nc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000068769390	165047030	/nfs/dbraw/zinc/04/70/30/165047030.db2.gz	XUMOSKHEEGYUIN-CQSZACIVSA-N	-1	0	283.331	3.018	20	30		CGEDRM
CC(C)(CCC(=O)[O-])Nc1cc(C#N)c2ccccc2n1	ZINC000068769437	165047262	/nfs/dbraw/zinc/04/72/62/165047262.db2.gz	VLNAETQQUNYYRK-UHFFFAOYSA-N	-1	0	283.331	3.162	20	30		CGEDRM
CC(C)C[C@@H](Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000061845374	175656092	/nfs/dbraw/zinc/65/60/92/175656092.db2.gz	WPENPCCUTHZCHX-GFCCVEGCSA-N	-1	0	266.728	3.123	20	30		CGEDRM
N#CC(=C([O-])c1cc2ccc(F)cc2s1)c1ccncn1	ZINC000680617720	543719742	/nfs/dbraw/zinc/71/97/42/543719742.db2.gz	ZEHOTMCWZDZACW-NSHDSACASA-N	-1	0	297.314	3.320	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000684731755	544026543	/nfs/dbraw/zinc/02/65/43/544026543.db2.gz	BUUHBNHKEGYEPR-CYBMUJFWSA-N	-1	0	296.411	3.160	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1	ZINC000659166257	418962925	/nfs/dbraw/zinc/96/29/25/418962925.db2.gz	IJKNOWKAFBZVAY-MNOVXSKESA-N	-1	0	293.388	3.311	20	30		CGEDRM
C=CCCC1(CNC(=O)CC2(C(=O)[O-])CCC2)CCCC1	ZINC000659166849	418963439	/nfs/dbraw/zinc/96/34/39/418963439.db2.gz	LAUSAOSEXWXGRS-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1	ZINC000076756658	260166789	/nfs/dbraw/zinc/16/67/89/260166789.db2.gz	BTINJFVOCIRGMA-UWVGGRQHSA-N	-1	0	287.406	3.220	20	30		CGEDRM
CC(C)CCN(CCC#N)C(=O)c1ccc([O-])c(Cl)c1	ZINC000084410086	260362462	/nfs/dbraw/zinc/36/24/62/260362462.db2.gz	RFXPEEPOSNPFGB-UHFFFAOYSA-N	-1	0	294.782	3.448	20	30		CGEDRM
CC(C)c1nc(/C=C\c2ccccc2C#N)ncc1C(=O)[O-]	ZINC000255694875	287876997	/nfs/dbraw/zinc/87/69/97/287876997.db2.gz	OUAHRUIQHNECDZ-FPLPWBNLSA-N	-1	0	293.326	3.340	20	30		CGEDRM
C[C@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)c([O-])c2)C1	ZINC000442955573	280029710	/nfs/dbraw/zinc/02/97/10/280029710.db2.gz	LPJUCIWSVQUKFP-LBPRGKRZSA-N	-1	0	292.338	3.103	20	30		CGEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[n-]c1C#N	ZINC000329230507	303216010	/nfs/dbraw/zinc/21/60/10/303216010.db2.gz	DNRTYHONKAFZJB-GRYCIOLGSA-N	-1	0	297.362	3.348	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000262771992	330030315	/nfs/dbraw/zinc/03/03/15/330030315.db2.gz	AIQIJZCFGOVZRI-OAHLLOKOSA-N	-1	0	287.359	3.103	20	30		CGEDRM
CC(C)(CCC#N)CNc1cccc(CCC(=O)[O-])c1	ZINC000263533082	330059202	/nfs/dbraw/zinc/05/92/02/330059202.db2.gz	XPZVFBBUBMLAPV-UHFFFAOYSA-N	-1	0	274.364	3.446	20	30		CGEDRM
C=CCC1(CN=c2[n-]nc(C(F)F)s2)CCCC1	ZINC000450847694	331002583	/nfs/dbraw/zinc/00/25/83/331002583.db2.gz	SCPZFOWIDLCDBA-UHFFFAOYSA-N	-1	0	273.352	3.446	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1ccc(O)c(CC)c1	ZINC000489982860	332075617	/nfs/dbraw/zinc/07/56/17/332075617.db2.gz	ZAPYSTYJAGWBSX-UHFFFAOYSA-N	-1	0	261.365	3.287	20	30		CGEDRM
N#Cc1ccc(NS(=O)(=O)CCC2CCCC2)c(F)c1	ZINC000581925205	336169253	/nfs/dbraw/zinc/16/92/53/336169253.db2.gz	FOZYKGVZGUZINC-UHFFFAOYSA-N	-1	0	296.367	3.019	20	30		CGEDRM
C=C(C)CN(C)[C@@H](C(=O)[O-])c1ccccc1Br	ZINC000659788001	500572372	/nfs/dbraw/zinc/57/23/72/500572372.db2.gz	WWMLIZBKKFAMPK-GFCCVEGCSA-N	-1	0	298.180	3.083	20	30		CGEDRM
Cc1ccccc1-c1n[n-]c(=NCc2cc(C#N)cs2)o1	ZINC000357705916	534790694	/nfs/dbraw/zinc/79/06/94/534790694.db2.gz	XFEPJPJABUSZSO-UHFFFAOYSA-N	-1	0	296.355	3.012	20	30		CGEDRM
N#Cc1cc(Oc2ccc(C(=O)[O-])cc2Cl)ccn1	ZINC000061812923	526575320	/nfs/dbraw/zinc/57/53/20/526575320.db2.gz	UXIODLWPONKYQC-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
CCSc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354469334	529243478	/nfs/dbraw/zinc/24/34/78/529243478.db2.gz	QOUQEABLPQLKSI-CYBMUJFWSA-N	-1	0	283.356	3.079	20	30		CGEDRM
O=C([O-])c1ccc(NN=C2CCc3ccc(F)cc32)cc1	ZINC000748779284	571685556	/nfs/dbraw/zinc/68/55/56/571685556.db2.gz	YUAJJOPMYPALAX-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(O)c(F)c1	ZINC000728426296	571804878	/nfs/dbraw/zinc/80/48/78/571804878.db2.gz	YYKPPWLHZBUNHY-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1cccnc1Cl)O2	ZINC000728699158	571816005	/nfs/dbraw/zinc/81/60/05/571816005.db2.gz	QLXHMIXTOSAJEA-WUXMJOGZSA-N	-1	0	287.702	3.365	20	30		CGEDRM
CC(Cc1ccsc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000729631864	571926511	/nfs/dbraw/zinc/92/65/11/571926511.db2.gz	MDOMDKUQGZRLER-UHFFFAOYSA-N	-1	0	274.345	3.477	20	30		CGEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@H]2c2ccco2)cc1	ZINC000739104435	572402223	/nfs/dbraw/zinc/40/22/23/572402223.db2.gz	GHGGSIOBHCJBPS-HOCLYGCPSA-N	-1	0	296.326	3.114	20	30		CGEDRM
N#Cc1ccc([C@@H](Nc2ccc3c(c2)CCC3)C(=O)[O-])cc1	ZINC000739110557	572402725	/nfs/dbraw/zinc/40/27/25/572402725.db2.gz	RAALFTPXJOCKQA-QGZVFWFLSA-N	-1	0	292.338	3.285	20	30		CGEDRM
O=C([O-])c1ccc2[nH]cc(C=NNc3ccc(F)cc3)c2c1	ZINC000740190722	572435583	/nfs/dbraw/zinc/43/55/83/572435583.db2.gz	POWLTBNQVVGXGJ-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ccc2ccccc2n1	ZINC000740621023	572448662	/nfs/dbraw/zinc/44/86/62/572448662.db2.gz	VCOQDSPXGCREAZ-GFCCVEGCSA-N	-1	0	298.346	3.070	20	30		CGEDRM
Cc1cccc2c1C/C(=C/c1ccc(C(=O)[O-])o1)C2=O	ZINC000738747053	572474146	/nfs/dbraw/zinc/47/41/46/572474146.db2.gz	FGNRDVYBKRBZRS-YFHOEESVSA-N	-1	0	268.268	3.109	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1	ZINC000739101109	572488906	/nfs/dbraw/zinc/48/89/06/572488906.db2.gz	AHYPBKGGVRJDAK-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
N#CC(=C([O-])C1=COCCC1)c1nc2ccccc2s1	ZINC000744016961	572696870	/nfs/dbraw/zinc/69/68/70/572696870.db2.gz	WQOHGQZFXPLXGQ-LLVKDONJSA-N	-1	0	284.340	3.167	20	30		CGEDRM
C#CCOc1cc(F)ccc1NCc1cccc(C(=O)[O-])c1	ZINC000736075754	572767413	/nfs/dbraw/zinc/76/74/13/572767413.db2.gz	GDBUPQXWTKVEJK-UHFFFAOYSA-N	-1	0	299.301	3.148	20	30		CGEDRM
C[C@H](c1ccccc1)[C@H](C)/N=C\c1ccc(O)c(O)c1O	ZINC000746815769	572896851	/nfs/dbraw/zinc/89/68/51/572896851.db2.gz	NDSCVNDUKPJUGV-PUEUJWCZSA-N	-1	0	285.343	3.415	20	30		CGEDRM
CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1(C)C	ZINC000748003020	572957394	/nfs/dbraw/zinc/95/73/94/572957394.db2.gz	XOOLNABMJCLQEI-SWLSCSKDSA-N	-1	0	284.359	3.441	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2csc3c2CCCC3)c1	ZINC000748409988	572975771	/nfs/dbraw/zinc/97/57/71/572975771.db2.gz	BQTKHYNAVZSOFZ-UHFFFAOYSA-N	-1	0	298.367	3.456	20	30		CGEDRM
Cc1cnc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000749932039	573062835	/nfs/dbraw/zinc/06/28/35/573062835.db2.gz	ZAVHZNKPSWEGSH-VUPJLDGMSA-N	-1	0	291.332	3.245	20	30		CGEDRM
O=C([O-])C1CCC(N=Nc2nc3ccccc3s2)CC1	ZINC000814686749	598095188	/nfs/dbraw/zinc/09/51/88/598095188.db2.gz	YPMMULNDNQFPNH-UHFFFAOYSA-N	-1	0	289.360	3.339	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000040547226	599816712	/nfs/dbraw/zinc/81/67/12/599816712.db2.gz	FHMBLNIEHCQGDM-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
Cc1cc(C)cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832878450	601298007	/nfs/dbraw/zinc/29/80/07/601298007.db2.gz	DLHNGHMCFZDVGP-MRXNPFEDSA-N	-1	0	280.327	3.413	20	30		CGEDRM
CC(C)(C#N)CCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000087599150	601343500	/nfs/dbraw/zinc/34/35/00/601343500.db2.gz	IFJGLPRRRWJFOI-UHFFFAOYSA-N	-1	0	292.291	3.002	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1COc1ccc(C#N)c(F)c1	ZINC000830394421	601389426	/nfs/dbraw/zinc/38/94/26/601389426.db2.gz	FARAKQHIURHEEO-UHFFFAOYSA-N	-1	0	289.262	3.130	20	30		CGEDRM
C=CCCCC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000825664943	601452163	/nfs/dbraw/zinc/45/21/63/601452163.db2.gz	QUOFWPODULIKKG-LSDHHAIUSA-N	-1	0	293.407	3.225	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2c[nH]c3ccccc23)c[nH]1	ZINC000833297395	601792545	/nfs/dbraw/zinc/79/25/45/601792545.db2.gz	FXSFLQBKVNBOHE-AATRIKPKSA-N	-1	0	280.283	3.090	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2ccc(Cl)c(Cl)c2)c[nH]1	ZINC000814796735	601797029	/nfs/dbraw/zinc/79/70/29/601797029.db2.gz	NKTIGQKREQITPS-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])s2)cc1F	ZINC000133947780	601849273	/nfs/dbraw/zinc/84/92/73/601849273.db2.gz	DLWVHADFCRYHMI-UHFFFAOYSA-N	-1	0	277.276	3.036	20	30		CGEDRM
N#CC1(C(=O)NCCCCCCCC(=O)[O-])CCCCC1	ZINC000833064782	602024532	/nfs/dbraw/zinc/02/45/32/602024532.db2.gz	NMKRJAKSLDUQDA-UHFFFAOYSA-N	-1	0	294.395	3.002	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc3c(s2)CCC3)o1	ZINC000833311768	602150164	/nfs/dbraw/zinc/15/01/64/602150164.db2.gz	COKDTUYVUQMNFP-GQCTYLIASA-N	-1	0	288.324	3.424	20	30		CGEDRM
COc1ccc(NCc2cccc(C#N)c2)cc1NC(=O)[O-]	ZINC000829479510	604215235	/nfs/dbraw/zinc/21/52/35/604215235.db2.gz	JBTCFMYPOJPPFK-UHFFFAOYSA-N	-1	0	297.314	3.269	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1nc(-c2ccc(C#N)cc2)cs1	ZINC000825453358	604349847	/nfs/dbraw/zinc/34/98/47/604349847.db2.gz	INJZNDNNXNIOQV-MRVPVSSYSA-N	-1	0	273.317	3.010	20	30		CGEDRM
C[C@@H]1CC/C(=C/C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833600262	604584553	/nfs/dbraw/zinc/58/45/53/604584553.db2.gz	CVPVUMFLBYNADA-HQQGHWSLSA-N	-1	0	299.326	3.046	20	30		CGEDRM
CC(=NNc1cccc(F)c1)c1ccc(C(=O)[O-])cc1	ZINC000825808844	604639852	/nfs/dbraw/zinc/63/98/52/604639852.db2.gz	GORZWLXULKUUKL-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1	ZINC000833370619	604774803	/nfs/dbraw/zinc/77/48/03/604774803.db2.gz	FLJBIINHOBNXFW-LBPRGKRZSA-N	-1	0	298.342	3.022	20	30		CGEDRM
C#CCCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1	ZINC000833365334	604788904	/nfs/dbraw/zinc/78/89/04/604788904.db2.gz	PJJALSRUGKUKOT-UHFFFAOYSA-N	-1	0	295.338	3.399	20	30		CGEDRM
C#CCCCCC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000833362715	605018840	/nfs/dbraw/zinc/01/88/40/605018840.db2.gz	GRXWIBGUEQEELA-NSHDSACASA-N	-1	0	278.304	3.084	20	30		CGEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccccc1Cl	ZINC000833405603	605037945	/nfs/dbraw/zinc/03/79/45/605037945.db2.gz	FYVHHMJZGVAUBO-JTQLQIEISA-N	-1	0	291.738	3.233	20	30		CGEDRM
C=CCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1F	ZINC000833374502	605103465	/nfs/dbraw/zinc/10/34/65/605103465.db2.gz	MRQPDJFYCJVNAS-UHFFFAOYSA-N	-1	0	288.322	3.040	20	30		CGEDRM
C#CCCCNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000833362572	605179052	/nfs/dbraw/zinc/17/90/52/605179052.db2.gz	YWRMBDXRENDJQR-UHFFFAOYSA-N	-1	0	283.327	3.129	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](CC)C1	ZINC000833853142	605361721	/nfs/dbraw/zinc/36/17/21/605361721.db2.gz	NTWMQLQBVUQZHF-KBPBESRZSA-N	-1	0	298.427	3.242	20	30		CGEDRM
C=CCOc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000833378493	605593533	/nfs/dbraw/zinc/59/35/33/605593533.db2.gz	GTFKQEPACXHFMQ-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
C#CCCCCCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000833361524	605625255	/nfs/dbraw/zinc/62/52/55/605625255.db2.gz	ACYXJZFNKVQTMZ-CABCVRRESA-N	-1	0	293.407	3.110	20	30		CGEDRM
N#Cc1cccc(COc2cccc(NC(=O)[O-])c2)c1	ZINC000833978460	605700669	/nfs/dbraw/zinc/70/06/69/605700669.db2.gz	LVUOOIAJXZWMRK-UHFFFAOYSA-N	-1	0	268.272	3.227	20	30		CGEDRM
O=C([O-])N[C@H]1CC(=NNc2ccccc2)c2ccccc21	ZINC000834156969	605739564	/nfs/dbraw/zinc/73/95/64/605739564.db2.gz	FGSAJDDTGBOTRR-AWEZNQCLSA-N	-1	0	281.315	3.215	20	30		CGEDRM
N#CC1(CSCc2cccc(NC(=O)[O-])c2)CC1	ZINC000833964444	606010032	/nfs/dbraw/zinc/01/00/32/606010032.db2.gz	HHVSGMNDJGEJMJ-UHFFFAOYSA-N	-1	0	262.334	3.313	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)CC2(C(=O)[O-])CCC2)c1	ZINC000899855548	620732006	/nfs/dbraw/zinc/73/20/06/620732006.db2.gz	YAEVBHNWZXYBLB-UHFFFAOYSA-N	-1	0	273.332	3.303	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OC/C=C/Cl)c1ccccc1	ZINC000812406461	617779850	/nfs/dbraw/zinc/77/98/50/617779850.db2.gz	FPMMMBSWYPXNTH-PPOCWRSBSA-N	-1	0	265.740	3.147	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCOC2CCCC2)c1	ZINC000255197137	618060745	/nfs/dbraw/zinc/06/07/45/618060745.db2.gz	VMSDZYAEYSGRTA-WJDWOHSUSA-N	-1	0	292.335	3.069	20	30		CGEDRM
O=C(/C=C\c1cnn2ccccc12)c1cc(F)ccc1[O-]	ZINC000255213196	618090524	/nfs/dbraw/zinc/09/05/24/618090524.db2.gz	JDVSZCBJXBYTQF-XQRVVYSFSA-N	-1	0	282.274	3.075	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1C#N	ZINC000255269711	618147081	/nfs/dbraw/zinc/14/70/81/618147081.db2.gz	BJTHKANCNFLYBJ-VURMDHGXSA-N	-1	0	279.295	3.169	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1	ZINC000042343283	620788666	/nfs/dbraw/zinc/78/86/66/620788666.db2.gz	SMLYZHJBTXXBJD-GFCCVEGCSA-N	-1	0	283.393	3.267	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C\c2ccc(C#N)s2)c1	ZINC000255381604	618245243	/nfs/dbraw/zinc/24/52/43/618245243.db2.gz	KROMRHVEESNRFQ-ALCCZGGFSA-N	-1	0	285.324	3.230	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022727460	618357448	/nfs/dbraw/zinc/35/74/48/618357448.db2.gz	ASRHRLVIZPDIAF-PMFQKGTDSA-N	-1	0	262.309	3.298	20	30		CGEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000255846363	618799308	/nfs/dbraw/zinc/79/93/08/618799308.db2.gz	OGAPRFYUJGXFHP-TWGQIWQCSA-N	-1	0	269.256	3.197	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2CCC(F)(F)CC2)c1	ZINC000179737835	618799999	/nfs/dbraw/zinc/79/99/99/618799999.db2.gz	NTECWMKLNCZEIU-UHFFFAOYSA-N	-1	0	280.274	3.028	20	30		CGEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000046927877	619128599	/nfs/dbraw/zinc/12/85/99/619128599.db2.gz	ZDIIQAQIBKURTQ-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
C=CCCCCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000314414742	619227771	/nfs/dbraw/zinc/22/77/71/619227771.db2.gz	HEYCRLTWWSIHRM-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C=CCCCCCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000314404472	619228052	/nfs/dbraw/zinc/22/80/52/619228052.db2.gz	FMUYJKYPQBYSSV-CQSZACIVSA-N	-1	0	296.411	3.019	20	30		CGEDRM
CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086054282	619392799	/nfs/dbraw/zinc/39/27/99/619392799.db2.gz	YPXRQQIWGDFHBY-SNVBAGLBSA-N	-1	0	293.454	3.137	20	30		CGEDRM
C[C@@H]1CC(=NOCc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814791392	619424134	/nfs/dbraw/zinc/42/41/34/619424134.db2.gz	GDKNYUCDFCRHFK-BXUZGUMPSA-N	-1	0	261.321	3.080	20	30		CGEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000840704790	620070982	/nfs/dbraw/zinc/07/09/82/620070982.db2.gz	AVOAXOGTFMLRMC-LICLKQGHSA-N	-1	0	299.330	3.092	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)c1	ZINC000073086887	625429485	/nfs/dbraw/zinc/42/94/85/625429485.db2.gz	ZPCDGSQKROMMRL-GFCCVEGCSA-N	-1	0	283.393	3.241	20	30		CGEDRM
CCCSCC(C)N=Nc1cccc(C(=O)[O-])c1	ZINC000901124323	620835025	/nfs/dbraw/zinc/83/50/25/620835025.db2.gz	WFTLMHOCEWJFKD-UHFFFAOYSA-N	-1	0	266.366	3.316	20	30		CGEDRM
CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)CCCCC(=O)[O-]	ZINC000901304272	620851647	/nfs/dbraw/zinc/85/16/47/620851647.db2.gz	RUPCKDRNYVNCPS-GUIRCDHDSA-N	-1	0	298.427	3.189	20	30		CGEDRM
O=C([O-])c1csc(C=NN=c2ccc3ccccc3[nH]2)c1	ZINC000755488900	625555885	/nfs/dbraw/zinc/55/58/85/625555885.db2.gz	RNULRJGUGHQSIR-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908277363	622339704	/nfs/dbraw/zinc/33/97/04/622339704.db2.gz	LHLMJINOIJLSTH-HNNXBMFYSA-N	-1	0	293.407	3.152	20	30		CGEDRM
C=CCC1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCC1	ZINC000908294448	622341267	/nfs/dbraw/zinc/34/12/67/622341267.db2.gz	XGFXPXYIQZYFFH-CQSZACIVSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000909067384	622388809	/nfs/dbraw/zinc/38/88/09/622388809.db2.gz	RMGIZVDIMVZMQH-IUODEOHRSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000909111134	622397557	/nfs/dbraw/zinc/39/75/57/622397557.db2.gz	XMQYECZLGVJQSH-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C1CCC(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CC1	ZINC000910361020	622477987	/nfs/dbraw/zinc/47/79/87/622477987.db2.gz	PDIMIEZNQYDZTD-AWEZNQCLSA-N	-1	0	299.370	3.338	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000910515147	622489660	/nfs/dbraw/zinc/48/96/60/622489660.db2.gz	CFPOQHBGEOKRJT-UKRRQHHQSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C)cc(C(=O)[O-])c1)OCC	ZINC000911072890	622517990	/nfs/dbraw/zinc/51/79/90/622517990.db2.gz	MSDARNVEHLLHNI-CQSZACIVSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C[C@@H]1CC[C@@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000150951333	622706304	/nfs/dbraw/zinc/70/63/04/622706304.db2.gz	OCWKVLBUMIVFLX-GHMZBOCLSA-N	-1	0	258.321	3.029	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([O-])c1	ZINC000156617065	622830717	/nfs/dbraw/zinc/83/07/17/622830717.db2.gz	JIEARLLHXIVDHC-RUDMXATFSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000164594133	622839584	/nfs/dbraw/zinc/83/95/84/622839584.db2.gz	KKAXVCPRPZVBBX-DOMZBBRYSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045100052	622843017	/nfs/dbraw/zinc/84/30/17/622843017.db2.gz	KHYDWGBAXPKIEE-UHFFFAOYSA-N	-1	0	287.356	3.192	20	30		CGEDRM
CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000060256070	623033987	/nfs/dbraw/zinc/03/39/87/623033987.db2.gz	JTDKUWOGVSNUOS-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
O=C1c2ccc(F)cc2C/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000172044927	623211260	/nfs/dbraw/zinc/21/12/60/623211260.db2.gz	ZOZBPJNBECWCRZ-WZUFQYTHSA-N	-1	0	299.257	3.262	20	30		CGEDRM
Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])O2	ZINC000915989079	624095129	/nfs/dbraw/zinc/09/51/29/624095129.db2.gz	XEJCVEFFRPJIHL-VGOFMYFVSA-N	-1	0	297.266	3.225	20	30		CGEDRM
O=C([O-])COc1cccc(C(=O)/C=C\c2ccccc2)c1	ZINC000916157079	624118800	/nfs/dbraw/zinc/11/88/00/624118800.db2.gz	NIWLKXMIFDWKGK-KTKRTIGZSA-N	-1	0	282.295	3.046	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000916346426	624148968	/nfs/dbraw/zinc/14/89/68/624148968.db2.gz	AMDJLMVDNQHXNH-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
O=C(/C=C\c1cccc2c1OCCCO2)c1ccc(O)cc1	ZINC000917143928	624246776	/nfs/dbraw/zinc/24/67/76/624246776.db2.gz	XOAHADJPHYJUGN-YFHOEESVSA-N	-1	0	296.322	3.450	20	30		CGEDRM
CC(C)(C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000920175273	624454222	/nfs/dbraw/zinc/45/42/22/624454222.db2.gz	UOCPZSJWECJYHJ-NSIKDUERSA-N	-1	0	270.716	3.419	20	30		CGEDRM
CCn1ccc(C([O-])=C(C#N)c2nc(C)cs2)c1C	ZINC000873495426	634390246	/nfs/dbraw/zinc/39/02/46/634390246.db2.gz	NFRVXDOPLSCOSQ-LBPRGKRZSA-N	-1	0	273.361	3.071	20	30		CGEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1F	ZINC000179742790	624681520	/nfs/dbraw/zinc/68/15/20/624681520.db2.gz	JLXNHHNQXGSJMC-UHFFFAOYSA-N	-1	0	298.317	3.319	20	30		CGEDRM
CC1(C)C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)O1	ZINC000182048141	624934536	/nfs/dbraw/zinc/93/45/36/624934536.db2.gz	YJEARRPKBZMIHY-BPKVKKHESA-N	-1	0	292.335	3.065	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1OC	ZINC000184517348	625243606	/nfs/dbraw/zinc/24/36/06/625243606.db2.gz	IOADHYAXXAABBC-HWKANZROSA-N	-1	0	290.340	3.367	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccccc2[O-])c(F)c1	ZINC000772804662	625843397	/nfs/dbraw/zinc/84/33/97/625843397.db2.gz	ZASADVYUAIIHBS-FPLPWBNLSA-N	-1	0	267.259	3.299	20	30		CGEDRM
CCCCCCCC(=O)N(CC(=O)[O-])[C@H](C)CC	ZINC000102984320	626190123	/nfs/dbraw/zinc/19/01/23/626190123.db2.gz	BFZVUOWZDUVBRH-GFCCVEGCSA-N	-1	0	257.374	3.059	20	30		CGEDRM
C=C(Cl)CNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000751066955	626376107	/nfs/dbraw/zinc/37/61/07/626376107.db2.gz	PHBPPZJCDOLRFP-UHFFFAOYSA-N	-1	0	280.538	3.181	20	30		CGEDRM
O=C(/C=C/c1ccc(O)c(F)c1)c1cc(F)cc(F)c1[O-]	ZINC000755598095	626631100	/nfs/dbraw/zinc/63/11/00/626631100.db2.gz	CNHQZFWTXWWLDY-HNQUOIGGSA-N	-1	0	294.228	3.411	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(C)s1	ZINC000756899304	626739858	/nfs/dbraw/zinc/73/98/58/626739858.db2.gz	VPYKYTFVEIMOQH-UHFFFAOYSA-N	-1	0	290.344	3.209	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1ccccc1C	ZINC000756901216	626740265	/nfs/dbraw/zinc/74/02/65/626740265.db2.gz	LMDLMEVDRZJUER-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
CC(=NNc1cccc(C#N)c1)c1cc(F)cc(F)c1[O-]	ZINC000757459400	626779625	/nfs/dbraw/zinc/77/96/25/626779625.db2.gz	IBAKMSRKPIPORS-UHFFFAOYSA-N	-1	0	287.269	3.378	20	30		CGEDRM
COc1c(O)cccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000757467688	626780930	/nfs/dbraw/zinc/78/09/30/626780930.db2.gz	JVBBPOFLHYIMSN-FNORWQNLSA-N	-1	0	288.274	3.142	20	30		CGEDRM
O=C(/C=C\c1cccc2c1OCCCO2)c1ccccc1[O-]	ZINC000757473377	626781417	/nfs/dbraw/zinc/78/14/17/626781417.db2.gz	DADCPGGKZVZCSP-KTKRTIGZSA-N	-1	0	296.322	3.450	20	30		CGEDRM
Cc1ccc(F)c(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000757473555	626781484	/nfs/dbraw/zinc/78/14/84/626781484.db2.gz	YBMXGISPXCHWHX-XVNBXDOJSA-N	-1	0	272.275	3.441	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000759089088	626873446	/nfs/dbraw/zinc/87/34/46/626873446.db2.gz	FVUVDLGEEZQXGA-FNORWQNLSA-N	-1	0	294.266	3.068	20	30		CGEDRM
Cn1ccc2c1cccc2C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759721022	626918489	/nfs/dbraw/zinc/91/84/89/626918489.db2.gz	XRBOIKDLLNMYJS-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
CC(C)O[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C1(C)C	ZINC000764884749	627231672	/nfs/dbraw/zinc/23/16/72/627231672.db2.gz	FWWKOVRIJSOIPL-AWEZNQCLSA-N	-1	0	290.363	3.376	20	30		CGEDRM
Cc1cccc(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc23)c1	ZINC000765542753	627257812	/nfs/dbraw/zinc/25/78/12/627257812.db2.gz	JINAWPRBKQBCBB-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
CCc1cnccc1C(C)=NNc1cccc(C(=O)[O-])c1	ZINC000765544846	627258409	/nfs/dbraw/zinc/25/84/09/627258409.db2.gz	XIQPFJWSBBGHMS-UHFFFAOYSA-N	-1	0	283.331	3.178	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Cc3ccccc3C2=O)c1	ZINC000765826608	627274215	/nfs/dbraw/zinc/27/42/15/627274215.db2.gz	RUCOOWPOGGGBKM-NTEUORMPSA-N	-1	0	264.280	3.207	20	30		CGEDRM
N#Cc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1F	ZINC000770573366	627627523	/nfs/dbraw/zinc/62/75/23/627627523.db2.gz	XMKYEOYPKBISMC-SOFGYWHQSA-N	-1	0	267.259	3.299	20	30		CGEDRM
CC1(C)CCCC[C@@H]1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000773126082	627859651	/nfs/dbraw/zinc/85/96/51/627859651.db2.gz	RNSGEGGHKKJZTO-AWEZNQCLSA-N	-1	0	291.351	3.193	20	30		CGEDRM
CC1(C)CCCC[C@@H]1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000773126417	627859711	/nfs/dbraw/zinc/85/97/11/627859711.db2.gz	VSPUYGHIYRXNMF-AWEZNQCLSA-N	-1	0	291.351	3.193	20	30		CGEDRM
N#Cc1ccc(CCCN=Nc2ccccc2C(=O)[O-])cc1	ZINC000774346940	627979817	/nfs/dbraw/zinc/97/98/17/627979817.db2.gz	DLXPGAKRJZHUJT-UHFFFAOYSA-N	-1	0	293.326	3.287	20	30		CGEDRM
Cc1ccc(CCCN=Nc2ccccc2C(=O)[O-])cn1	ZINC000774351835	627981050	/nfs/dbraw/zinc/98/10/50/627981050.db2.gz	QQKMRZQYMXHRSZ-UHFFFAOYSA-N	-1	0	283.331	3.119	20	30		CGEDRM
N#Cc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)cc1Cl	ZINC000874969297	634661306	/nfs/dbraw/zinc/66/13/06/634661306.db2.gz	MKXGZELFERLFEM-UHFFFAOYSA-N	-1	0	285.686	3.389	20	30		CGEDRM
Cc1cncc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1	ZINC000782207603	628624730	/nfs/dbraw/zinc/62/47/30/628624730.db2.gz	PTRMIVNPHJACGM-NSCUHMNNSA-N	-1	0	273.313	3.046	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000782340426	628640647	/nfs/dbraw/zinc/64/06/47/628640647.db2.gz	CPPJWVAHOQIMBX-VURMDHGXSA-N	-1	0	257.264	3.131	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccnc(F)c2)c(Cl)c1	ZINC000783867314	628753350	/nfs/dbraw/zinc/75/33/50/628753350.db2.gz	NDKUJXMZESINRB-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
Cc1ccnc(N=NC(C)c2cc(C(=O)[O-])ccc2C)c1	ZINC000788434959	629052039	/nfs/dbraw/zinc/05/20/39/629052039.db2.gz	ZIASTERFYGYGCL-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-]	ZINC000125538157	634722548	/nfs/dbraw/zinc/72/25/48/634722548.db2.gz	OTTLBQVKLDLKJH-OLZOCXBDSA-N	-1	0	269.385	3.059	20	30		CGEDRM
C[C@@H](NN=Cc1cc(F)c([O-])c(F)c1)C(C)(C)C	ZINC000793112484	629412161	/nfs/dbraw/zinc/41/21/61/629412161.db2.gz	SXNPSUFIMKKVSJ-MRVPVSSYSA-N	-1	0	256.296	3.029	20	30		CGEDRM
CC(C)n1nccc1C=CC(=O)c1sccc1[O-]	ZINC000794946667	629604523	/nfs/dbraw/zinc/60/45/23/629604523.db2.gz	WZHHSJOGQVFVNP-ONEGZZNKSA-N	-1	0	262.334	3.127	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ncccc1F	ZINC000794981399	629613387	/nfs/dbraw/zinc/61/33/87/629613387.db2.gz	MHMYZDLRKSOFAX-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
COC(=O)C[C@@H](C)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000864348090	629816243	/nfs/dbraw/zinc/81/62/43/629816243.db2.gz	DZMVBOWNQOZRRV-YBNGVGCVSA-N	-1	0	290.146	3.070	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc(F)cc2[O-])ccc1C#N	ZINC000799497246	630191393	/nfs/dbraw/zinc/19/13/93/630191393.db2.gz	LOOQTIKVZGPQOJ-XVNBXDOJSA-N	-1	0	297.285	3.308	20	30		CGEDRM
O=c1[n-]c(N=NC2CCC23CCC3)nc2ccccc21	ZINC000799880364	630238121	/nfs/dbraw/zinc/23/81/21/630238121.db2.gz	ANCQDDILGWNEAH-UHFFFAOYSA-N	-1	0	268.320	3.067	20	30		CGEDRM
Cc1[nH]c(C=NNc2ccc3ccccc3n2)cc1C(=O)[O-]	ZINC000800805475	630299950	/nfs/dbraw/zinc/29/99/50/630299950.db2.gz	PWPPFOCHRXPISA-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
Cc1cc2c(cc1C)N(C(=O)c1ccc(C#N)c([O-])c1)CC2	ZINC000804320135	630519512	/nfs/dbraw/zinc/51/95/12/630519512.db2.gz	KWUACDMIGZKBDO-UHFFFAOYSA-N	-1	0	292.338	3.084	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1	ZINC000806559120	630566937	/nfs/dbraw/zinc/56/69/37/630566937.db2.gz	VHODDDIEBBMBCY-HJWRWDBZSA-N	-1	0	297.266	3.189	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)[O-])c1)C2	ZINC000811693930	631110980	/nfs/dbraw/zinc/11/09/80/631110980.db2.gz	MVSHFONCNXTNLB-CHHVJCJISA-N	-1	0	289.290	3.079	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](c1cccc(Cl)c1)C(C)C	ZINC000837047293	634848060	/nfs/dbraw/zinc/84/80/60/634848060.db2.gz	DGEDHGIHXJTNOS-ZDUSSCGKSA-N	-1	0	267.756	3.313	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCCC1CC1)CCC2	ZINC000814246703	631561024	/nfs/dbraw/zinc/56/10/24/631561024.db2.gz	WAAHTJSGEUTHGT-UHFFFAOYSA-N	-1	0	277.320	3.143	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2C2CCC2)cc1	ZINC000814680780	631620318	/nfs/dbraw/zinc/62/03/18/631620318.db2.gz	HNHVAGHEBVKTEO-ZDUSSCGKSA-N	-1	0	258.321	3.363	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814686243	631622622	/nfs/dbraw/zinc/62/26/22/631622622.db2.gz	ZAIGLGKAIRFSFX-RYUDHWBXSA-N	-1	0	260.337	3.284	20	30		CGEDRM
Cc1cccc(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814687415	631622919	/nfs/dbraw/zinc/62/29/19/631622919.db2.gz	HQWMMNUAERMJDI-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc([N+](=O)[O-])c1	ZINC000814694311	631625241	/nfs/dbraw/zinc/62/52/41/631625241.db2.gz	FAWOTHRQNBYUFS-UHFFFAOYSA-N	-1	0	291.307	3.028	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2ccccc2C(=O)[O-])CS1	ZINC000814769082	631636615	/nfs/dbraw/zinc/63/66/15/631636615.db2.gz	SLYCKQDZHLOMRR-CYBMUJFWSA-N	-1	0	278.377	3.314	20	30		CGEDRM
O=C([O-])c1cccc(C=NNCc2ccccc2Cl)c1	ZINC000814813150	631647069	/nfs/dbraw/zinc/64/70/69/631647069.db2.gz	WAABPCZWBRQDPJ-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)nc1	ZINC000814831425	631650830	/nfs/dbraw/zinc/65/08/30/631650830.db2.gz	AYNMPOZZZNVCNA-VXGBXAGGSA-N	-1	0	289.379	3.315	20	30		CGEDRM
Cc1ccnc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)c1	ZINC000814868341	631659071	/nfs/dbraw/zinc/65/90/71/631659071.db2.gz	OQCFGSUHVXVCAY-RYUDHWBXSA-N	-1	0	289.379	3.315	20	30		CGEDRM
Cc1cccc(CNN=Cc2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000814872888	631660777	/nfs/dbraw/zinc/66/07/77/631660777.db2.gz	CHHMVNFCOPCVMC-UHFFFAOYSA-N	-1	0	296.370	3.434	20	30		CGEDRM
C[C@@H]1C(=NOCc2cccnc2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814884268	631663747	/nfs/dbraw/zinc/66/37/47/631663747.db2.gz	TXMCEPWRNHMASA-DGCLKSJQSA-N	-1	0	290.363	3.111	20	30		CGEDRM
C=CCCC(CCC)N=Nc1ccc(C(=O)[O-])cn1	ZINC000814890254	631666914	/nfs/dbraw/zinc/66/69/14/631666914.db2.gz	JUPAJXKSCTUBEM-UHFFFAOYSA-N	-1	0	261.325	3.314	20	30		CGEDRM
C[C@@H]1CC(N=Nc2cc(Cl)ccn2)CC[C@@H]1C(=O)[O-]	ZINC000814897720	631669854	/nfs/dbraw/zinc/66/98/54/631669854.db2.gz	CLHQUGAVQCVRLY-KCJUWKMLSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncncc1Cl	ZINC000814909391	631676660	/nfs/dbraw/zinc/67/66/60/631676660.db2.gz	KTRWGYGWQUTEGL-UHFFFAOYSA-N	-1	0	298.774	3.343	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1csc(C(=O)[O-])c1	ZINC000814909830	631676756	/nfs/dbraw/zinc/67/67/56/631676756.db2.gz	LIYUTWUQPKFTCU-UHFFFAOYSA-N	-1	0	281.255	3.139	20	30		CGEDRM
C[C@@H]1C(=NNC2CCCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814910119	631677783	/nfs/dbraw/zinc/67/77/83/631677783.db2.gz	RALJHWIUWYNNPU-DGCLKSJQSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1C(=NN[C@@H]2CCCC2(C)C)CC[C@H]1CC(=O)[O-]	ZINC000814917512	631681059	/nfs/dbraw/zinc/68/10/59/631681059.db2.gz	MNVXPPPMKHBXHZ-GMXVVIOVSA-N	-1	0	266.385	3.032	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814923976	631684120	/nfs/dbraw/zinc/68/41/20/631684120.db2.gz	SKWHFEZFCBQJEK-NWDGAFQWSA-N	-1	0	291.347	3.089	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(F)cc(F)c1O	ZINC000822977614	633045596	/nfs/dbraw/zinc/04/55/96/633045596.db2.gz	TXYHWCIWXWHOIH-QMMMGPOBSA-N	-1	0	255.264	3.211	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)[C@H](F)CC2CCCCC2)c1	ZINC000870690277	633626354	/nfs/dbraw/zinc/62/63/54/633626354.db2.gz	LYVXPJIJZXZISA-OAHLLOKOSA-N	-1	0	290.338	3.277	20	30		CGEDRM
CC1=CC[C@@](C)(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000831271864	633935636	/nfs/dbraw/zinc/93/56/36/633935636.db2.gz	NEJMDUMPXDZUBA-MRXNPFEDSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C[C@@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835007139	634311731	/nfs/dbraw/zinc/31/17/31/634311731.db2.gz	PNUFOPLRKIZKHV-MNOVXSKESA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])nc1)C1CCC(F)(F)CC1	ZINC000835007603	634312745	/nfs/dbraw/zinc/31/27/45/634312745.db2.gz	ZKNHBYJALPADIG-UHFFFAOYSA-N	-1	0	297.305	3.393	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CS1	ZINC000835009578	634314139	/nfs/dbraw/zinc/31/41/39/634314139.db2.gz	VUVAVRWGVWEIGY-ZDUSSCGKSA-N	-1	0	296.367	3.453	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010198	634314203	/nfs/dbraw/zinc/31/42/03/634314203.db2.gz	SJNSFUYWPKDBNJ-CQSZACIVSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C[C@H]1CC(C)(C)CC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010361	634315261	/nfs/dbraw/zinc/31/52/61/634315261.db2.gz	YPVYKZARYQJCEY-VIFPVBQESA-N	-1	0	261.325	3.004	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2(C)CCOCC2)n1	ZINC000835036784	634328631	/nfs/dbraw/zinc/32/86/31/634328631.db2.gz	NJROYPHVWTZZAR-VSQXVHSFSA-N	-1	0	290.388	3.001	20	30		CGEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000843268009	635628671	/nfs/dbraw/zinc/62/86/71/635628671.db2.gz	GCSLHCWEMRCTJS-BQYQJAHWSA-N	-1	0	270.332	3.141	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c1	ZINC000843842609	635787718	/nfs/dbraw/zinc/78/77/18/635787718.db2.gz	LGZAPMDQPHRJGI-KBPBESRZSA-N	-1	0	284.359	3.419	20	30		CGEDRM
Cc1c(N=NCC(C)(C)CCC#N)cccc1C(=O)[O-]	ZINC000844624264	635945482	/nfs/dbraw/zinc/94/54/82/635945482.db2.gz	OZIFMUJZGSGCFA-UHFFFAOYSA-N	-1	0	273.336	3.421	20	30		CGEDRM
C=C[C@H](C)ONC(=O)CC[C@@H]1CCc2ccccc21	ZINC000880548762	636018762	/nfs/dbraw/zinc/01/87/62/636018762.db2.gz	BTZBCIMPIXDQQS-JSGCOSHPSA-N	-1	0	259.349	3.119	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]OCC(=C)C)c1ccccc1	ZINC000846535340	636193759	/nfs/dbraw/zinc/19/37/59/636193759.db2.gz	YXBCILHWUMTUHK-HNNXBMFYSA-N	-1	0	259.349	3.360	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]OCC(=C)C)c1ccccc1	ZINC000846535341	636194289	/nfs/dbraw/zinc/19/42/89/636194289.db2.gz	YXBCILHWUMTUHK-OAHLLOKOSA-N	-1	0	259.349	3.360	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)c1ccc(Cl)s1	ZINC000846536789	636195372	/nfs/dbraw/zinc/19/53/72/636195372.db2.gz	AIUHFLCAVSTOLR-MRVPVSSYSA-N	-1	0	259.758	3.129	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCC1	ZINC000846540193	636196170	/nfs/dbraw/zinc/19/61/70/636196170.db2.gz	WNBVJKMRRHXCEE-UHFFFAOYSA-N	-1	0	289.375	3.049	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1Cl	ZINC000846545535	636198081	/nfs/dbraw/zinc/19/80/81/636198081.db2.gz	HFIYHCURCGBHCI-JQWIXIFHSA-N	-1	0	283.755	3.120	20	30		CGEDRM
CCCCCCCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000846706702	636219332	/nfs/dbraw/zinc/21/93/32/636219332.db2.gz	MZUWNLWNBPVUKN-KGLIPLIRSA-N	-1	0	283.412	3.354	20	30		CGEDRM
CCCCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000129403896	636244237	/nfs/dbraw/zinc/24/42/37/636244237.db2.gz	WQVCOJXXSOUHDV-CQSZACIVSA-N	-1	0	298.427	3.243	20	30		CGEDRM
CC[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CO1	ZINC000853258683	637797188	/nfs/dbraw/zinc/79/71/88/637797188.db2.gz	ZEHRAALAOWPMLO-SNVBAGLBSA-N	-1	0	282.727	3.005	20	30		CGEDRM
CC(=NOCC1CCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000853441308	637844694	/nfs/dbraw/zinc/84/46/94/637844694.db2.gz	VLIZBLWSYNDBIP-OLZOCXBDSA-N	-1	0	267.369	3.316	20	30		CGEDRM
C=C(Cl)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000853676342	637890139	/nfs/dbraw/zinc/89/01/39/637890139.db2.gz	PSKXTBZQDVRWKW-UHFFFAOYSA-N	-1	0	267.760	3.095	20	30		CGEDRM
C#CCC1(C(=O)[N-]Oc2ccccc2)CCCCC1	ZINC000854537609	638068496	/nfs/dbraw/zinc/06/84/96/638068496.db2.gz	WUUSBYSMMNGKBQ-UHFFFAOYSA-N	-1	0	257.333	3.070	20	30		CGEDRM
CC[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000113651179	638248178	/nfs/dbraw/zinc/24/81/78/638248178.db2.gz	OHJJTELHMFFRIW-MFKMUULPSA-N	-1	0	282.343	3.414	20	30		CGEDRM
CC[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000113651177	638248521	/nfs/dbraw/zinc/24/85/21/638248521.db2.gz	OHJJTELHMFFRIW-GXFFZTMASA-N	-1	0	282.343	3.414	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](OC(C)(C)C)c1ccccc1	ZINC000856034289	638289498	/nfs/dbraw/zinc/28/94/98/638289498.db2.gz	KNOTVMLABSODCJ-AWEZNQCLSA-N	-1	0	277.364	3.167	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CCCC2(F)F)c1	ZINC000935108159	639751439	/nfs/dbraw/zinc/75/14/39/639751439.db2.gz	LSXRKKUQDFJJLG-JTQLQIEISA-N	-1	0	280.274	3.028	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=C1CCC1	ZINC000088815067	640625597	/nfs/dbraw/zinc/62/55/97/640625597.db2.gz	YCUKBDFXBIBZCG-LLVKDONJSA-N	-1	0	279.361	3.144	20	30		CGEDRM
CC(C)(C(=O)[N-]OCc1cccc(C#N)c1)c1ccccc1	ZINC000092314155	640733915	/nfs/dbraw/zinc/73/39/15/640733915.db2.gz	IITMHQNZXMZUFO-UHFFFAOYSA-N	-1	0	294.354	3.084	20	30		CGEDRM
FC(F)(F)c1n[n-]c(=S)n1N=CC=Cc1ccccc1	ZINC000254489698	640912152	/nfs/dbraw/zinc/91/21/52/640912152.db2.gz	FUQOFZJLWXPMGF-FOGPZANYSA-N	-1	0	298.293	3.133	20	30		CGEDRM
N#Cc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001250590689	805711777	/nfs/dbraw/zinc/71/17/77/805711777.db2.gz	UGLTVFSLOXBNKN-UHFFFAOYSA-N	-1	0	263.296	3.341	20	30		CGEDRM
N#Cc1ccc(F)c(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001250632580	805738334	/nfs/dbraw/zinc/73/83/34/805738334.db2.gz	GDFZKBFQYWTQRK-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
N#Cc1ccc(F)c(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001250632800	805739501	/nfs/dbraw/zinc/73/95/01/805739501.db2.gz	MJFZYIWLLFUOPA-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccc(F)c(C#N)c1	ZINC001250636535	805742348	/nfs/dbraw/zinc/74/23/48/805742348.db2.gz	FYUABIJRWZBZEX-UHFFFAOYSA-N	-1	0	285.274	3.461	20	30		CGEDRM
Cc1cc(Nc2nc(Cl)ccc2C#N)ccc1C(=O)[O-]	ZINC001211650036	814925499	/nfs/dbraw/zinc/92/54/99/814925499.db2.gz	MJADNSAAWKCDKM-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc2[nH]c(-c3cc(C#N)ccc3[O-])nc2c(C)c1	ZINC001251180120	805859314	/nfs/dbraw/zinc/85/93/14/805859314.db2.gz	CLJCVDAQMVTXGD-UHFFFAOYSA-N	-1	0	263.300	3.424	20	30		CGEDRM
Cc1cc(Nc2cc(Cl)cnc2C#N)ccc1C(=O)[O-]	ZINC001211654979	814926330	/nfs/dbraw/zinc/92/63/30/814926330.db2.gz	IIIPGGOBPSNTAI-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
C=C[C@](C)(O)CNc1cc(C(F)(F)F)ccc1[S-]	ZINC001252562745	806068148	/nfs/dbraw/zinc/06/81/48/806068148.db2.gz	XPNNRJKXPBDMGD-NSHDSACASA-N	-1	0	277.311	3.343	20	30		CGEDRM
Cc1ccsc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000026432398	798841706	/nfs/dbraw/zinc/84/17/06/798841706.db2.gz	TWAQSWQVNXFGJO-VGOFMYFVSA-N	-1	0	276.317	3.289	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)s1	ZINC000125562235	799002096	/nfs/dbraw/zinc/00/20/96/799002096.db2.gz	GWLAVDCJUQXRTE-LBPRGKRZSA-N	-1	0	292.404	3.076	20	30		CGEDRM
C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176409119	799096100	/nfs/dbraw/zinc/09/61/00/799096100.db2.gz	ZSKDWFBUZJWGMQ-LLVKDONJSA-N	-1	0	298.317	3.220	20	30		CGEDRM
N#CCc1cccc(NC(=O)c2cccc([S-])c2)c1	ZINC000313523425	799232672	/nfs/dbraw/zinc/23/26/72/799232672.db2.gz	RZULUNMLIQKOJI-UHFFFAOYSA-N	-1	0	268.341	3.294	20	30		CGEDRM
C=CCCCCCCNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000380482278	799363461	/nfs/dbraw/zinc/36/34/61/799363461.db2.gz	LFICBQTVLZGFGI-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccccc1Cl	ZINC001117742642	802484947	/nfs/dbraw/zinc/48/49/47/802484947.db2.gz	SZTAKXPCKXARTF-WDEREUQCSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CC(C)c1ncsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122649725	802878765	/nfs/dbraw/zinc/87/87/65/802878765.db2.gz	LWQLULDATWPJTD-VIFPVBQESA-N	-1	0	289.335	3.291	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001123278473	802924336	/nfs/dbraw/zinc/92/43/36/802924336.db2.gz	YBBMJTRBLUFNMP-UHFFFAOYSA-N	-1	0	279.361	3.402	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(F)c([O-])c(F)c2)nc1C	ZINC001244094258	803182579	/nfs/dbraw/zinc/18/25/79/803182579.db2.gz	MFPPAFVCUSQIHI-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
Nc1c(F)c(F)c(F)cc1-c1ccccc1C=N[O-]	ZINC001244182861	803230461	/nfs/dbraw/zinc/23/04/61/803230461.db2.gz	HXTMUISBCYVBOA-UHFFFAOYSA-N	-1	0	266.222	3.161	20	30		CGEDRM
N#CCc1ncccc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244503035	803409176	/nfs/dbraw/zinc/40/91/76/803409176.db2.gz	XFIPTIFHAJXUBS-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1nnc(-c2ccc(Cl)c([O-])c2F)c(C#N)c1C	ZINC001244629504	803472949	/nfs/dbraw/zinc/47/29/49/803472949.db2.gz	KFOXHTJAIXMOBS-UHFFFAOYSA-N	-1	0	277.686	3.130	20	30		CGEDRM
COc1cc(C#N)nc(-c2ccc(Cl)c([O-])c2F)c1	ZINC001244630107	803473095	/nfs/dbraw/zinc/47/30/95/803473095.db2.gz	OQFOPIXQOPPVNE-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cnc(-c2cc(C)c(C(=O)[O-])c(C)c2)c(/C=N/O)c1	ZINC001244944856	803585774	/nfs/dbraw/zinc/58/57/74/803585774.db2.gz	LUGSHQAGTIGIFL-QGMBQPNBSA-N	-1	0	284.315	3.180	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(C)c1O	ZINC001211916773	814956499	/nfs/dbraw/zinc/95/64/99/814956499.db2.gz	GYSQPSUINCGMOT-UHFFFAOYSA-N	-1	0	272.279	3.469	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc2c(C#N)c[nH]c2n1	ZINC001245297815	803694360	/nfs/dbraw/zinc/69/43/60/803694360.db2.gz	SHAAPMANOBCABZ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
Cc1ccnc(-c2ccc(C(=O)[O-])cc2Cl)c1C#N	ZINC001245371301	803717131	/nfs/dbraw/zinc/71/71/31/803717131.db2.gz	MIDUTOFULSLXLQ-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2Cl)cc1C#N	ZINC001245371594	803717456	/nfs/dbraw/zinc/71/74/56/803717456.db2.gz	FPHXOPUFYTTXPL-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1nc(-c2cc([O-])c(F)c(F)c2F)ccc1CC#N	ZINC001245634098	803867614	/nfs/dbraw/zinc/86/76/14/803867614.db2.gz	ABYDDINHGBVIGV-UHFFFAOYSA-N	-1	0	278.233	3.246	20	30		CGEDRM
CC#Cc1cncc(-c2cc([O-])c(F)c(F)c2F)c1	ZINC001245638940	803876727	/nfs/dbraw/zinc/87/67/27/803876727.db2.gz	LJFFQEFWSJIQHW-UHFFFAOYSA-N	-1	0	263.218	3.243	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cc(Cl)c([O-])cc2F)n1	ZINC001245668108	803896336	/nfs/dbraw/zinc/89/63/36/803896336.db2.gz	NUALFOFAFZEECH-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1ccc(-c2ccccc2C=N[O-])c(Cl)n1	ZINC001245878088	804009708	/nfs/dbraw/zinc/00/97/08/804009708.db2.gz	BCALKUJCFCYALW-UHFFFAOYSA-N	-1	0	262.696	3.219	20	30		CGEDRM
Cc1ccc(-c2cc(=O)n(-c3cccc(C#N)c3)[n-]2)cc1	ZINC001245918748	804047446	/nfs/dbraw/zinc/04/74/46/804047446.db2.gz	ADOLGXVPHPSMCG-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3cccc(Cl)n3)[n-]2)cc1	ZINC001245932058	804060939	/nfs/dbraw/zinc/06/09/39/804060939.db2.gz	BONYXGMFNLGGAH-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
Cc1ccccc1-c1cc(=O)n(-c2cccc(C#N)c2)[n-]1	ZINC001245935686	804064497	/nfs/dbraw/zinc/06/44/97/804064497.db2.gz	JCQXEUDLCQSQTN-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3cc(F)ccc3F)[n-]2)c1	ZINC001245936954	804067588	/nfs/dbraw/zinc/06/75/88/804067588.db2.gz	HFDBDTZQNLTUNH-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
CCCCCCCCCc1cc(=O)n(C(N)=O)[n-]1	ZINC001245953011	804088375	/nfs/dbraw/zinc/08/83/75/804088375.db2.gz	DDECZZIZOZQYMB-UHFFFAOYSA-N	-1	0	253.346	3.223	20	30		CGEDRM
COc1c(F)ccc(Nc2scc([O-])c2C#N)c1F	ZINC001212496505	815041196	/nfs/dbraw/zinc/04/11/96/815041196.db2.gz	OQIXISLHGQDKNP-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(C(=O)[O-])cc2Cl)c1	ZINC001248548859	804949808	/nfs/dbraw/zinc/94/98/08/804949808.db2.gz	NFMGPDIKDOYWAP-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1	ZINC001212512607	815044964	/nfs/dbraw/zinc/04/49/64/815044964.db2.gz	VGOUVNJCVURMGY-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1F	ZINC001212513538	815045451	/nfs/dbraw/zinc/04/54/51/815045451.db2.gz	VUXYVZQVMGRQLC-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](Oc1cccc(Cl)c1)C(C)C	ZINC001144590337	805010344	/nfs/dbraw/zinc/01/03/44/805010344.db2.gz	ZVRXYNLVNNAUHM-SMDDNHRTSA-N	-1	0	297.782	3.366	20	30		CGEDRM
CC[C@@](C)(CC(=O)[O-])Cc1nc(-c2cccc(C#N)c2)no1	ZINC001248980587	805063585	/nfs/dbraw/zinc/06/35/85/805063585.db2.gz	KIOHMALVAOAPQD-MRXNPFEDSA-N	-1	0	299.330	3.042	20	30		CGEDRM
CCC(CC)(C(=O)[O-])c1nc(-c2ccc(C#N)c(C)c2)no1	ZINC001248979890	805064693	/nfs/dbraw/zinc/06/46/93/805064693.db2.gz	QPTAEMQLGNOECC-UHFFFAOYSA-N	-1	0	299.330	3.059	20	30		CGEDRM
CCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001148483409	805188196	/nfs/dbraw/zinc/18/81/96/805188196.db2.gz	FZRRYKBNNKXNQQ-UHFFFAOYSA-N	-1	0	280.324	3.001	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CCC(C#N)CC1	ZINC001249687279	805212139	/nfs/dbraw/zinc/21/21/39/805212139.db2.gz	BPPSUTHQEGMNGQ-UHFFFAOYSA-N	-1	0	291.445	3.341	20	30		CGEDRM
N#Cc1sccc1NC(=O)c1ccc2cccnc2c1[O-]	ZINC001149314780	805228918	/nfs/dbraw/zinc/22/89/18/805228918.db2.gz	ODHMRYHDBXWCNH-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CCCc2ccc(F)cc2)c1	ZINC001153000457	805377982	/nfs/dbraw/zinc/37/79/82/805377982.db2.gz	UAFINMYQNOTCQB-UHFFFAOYSA-N	-1	0	298.317	3.364	20	30		CGEDRM
N#Cc1cccc(Cc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001250049209	805388257	/nfs/dbraw/zinc/38/82/57/805388257.db2.gz	TVDNKGLUPNTAOT-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
N#Cc1ccc(Cc2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC001250052368	805392555	/nfs/dbraw/zinc/39/25/55/805392555.db2.gz	XEACJICNMJKYRL-CMDGGOBGSA-N	-1	0	263.296	3.247	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cs1	ZINC001258214646	807368622	/nfs/dbraw/zinc/36/86/22/807368622.db2.gz	LPDRNCZXTWRBRH-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
CCCCCCCCC[C@@H](C)N[C@@H]1SC(=O)[N-]C1=O	ZINC001258229574	807376443	/nfs/dbraw/zinc/37/64/43/807376443.db2.gz	OZWHUPGYVDFJGO-DGCLKSJQSA-N	-1	0	286.441	3.414	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1cccc2ccccc21	ZINC001168627687	807459339	/nfs/dbraw/zinc/45/93/39/807459339.db2.gz	WBEUNNRSEFPYEJ-CYBMUJFWSA-N	-1	0	285.343	3.231	20	30		CGEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(F)c1F	ZINC001174585838	809092590	/nfs/dbraw/zinc/09/25/90/809092590.db2.gz	GVXBQJXYBKJKOF-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174811147	809170030	/nfs/dbraw/zinc/17/00/30/809170030.db2.gz	XXQLOMZEFAOVOP-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc(CC(=O)[O-])cc2)cc1F	ZINC001174955674	809215272	/nfs/dbraw/zinc/21/52/72/809215272.db2.gz	DHIAIZXKISSXSO-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
COc1ccc(Nc2cc(C(=O)[O-])ccc2C)c(C#N)c1	ZINC001174981412	809223547	/nfs/dbraw/zinc/22/35/47/809223547.db2.gz	DCAIFSRGYXZGSF-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cccc(Nc2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001174983972	809226713	/nfs/dbraw/zinc/22/67/13/809226713.db2.gz	GTWPRFLMYCQQJM-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1ncc(Nc2ccc(C(=O)[O-])c(F)c2)cc1Cl	ZINC001175158325	809292330	/nfs/dbraw/zinc/29/23/30/809292330.db2.gz	LFUZEQXTORHYKJ-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175159721	809292746	/nfs/dbraw/zinc/29/27/46/809292746.db2.gz	GITWNGCABLIWPP-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175160840	809293368	/nfs/dbraw/zinc/29/33/68/809293368.db2.gz	UMZGTLYMYXMTOP-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001175223798	809314963	/nfs/dbraw/zinc/31/49/63/809314963.db2.gz	WJHHJXVPATVRIS-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1c(F)ccc([O-])c1F	ZINC001175264199	809329185	/nfs/dbraw/zinc/32/91/85/809329185.db2.gz	CABRFCLIBOUBQV-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
N#CCc1cccc(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175331459	809358557	/nfs/dbraw/zinc/35/85/57/809358557.db2.gz	UDTNIMPGONYYFJ-UHFFFAOYSA-N	-1	0	252.273	3.194	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2cncc(C(=O)[O-])c2)cc1	ZINC001175841425	809553034	/nfs/dbraw/zinc/55/30/34/809553034.db2.gz	FAVDBEQHIJAOGL-UHFFFAOYSA-N	-1	0	281.315	3.325	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](c1ccncc1)C1CCCCC1	ZINC001300210988	809564135	/nfs/dbraw/zinc/56/41/35/809564135.db2.gz	NAXJAEACGBVYCQ-CZUORRHYSA-N	-1	0	288.391	3.368	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc2c1OCC2	ZINC001176075152	809614502	/nfs/dbraw/zinc/61/45/02/809614502.db2.gz	YZSXQFLVQGCEDD-UHFFFAOYSA-N	-1	0	258.302	3.004	20	30		CGEDRM
COc1cc(Nc2csc(C(=O)[O-])c2)ccc1C#N	ZINC001176438818	809697400	/nfs/dbraw/zinc/69/74/00/809697400.db2.gz	DORXFYOQIVIHKB-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1cccc(C2(NC(=O)CCC(=O)C3=CC=C[CH]3)CC2)c1	ZINC001184246959	810185046	/nfs/dbraw/zinc/18/50/46/810185046.db2.gz	CZNIJMQHZZCCCP-UHFFFAOYSA-N	-1	0	294.374	3.150	20	30		CGEDRM
C[C@@H]1C[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)CC(C)(C)C1	ZINC001184246260	810185381	/nfs/dbraw/zinc/18/53/81/810185381.db2.gz	NEGOAOLHMCFNQN-HIFRSBDPSA-N	-1	0	288.411	3.367	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2cc[nH]c(=O)c2c1	ZINC001213955911	815350789	/nfs/dbraw/zinc/35/07/89/815350789.db2.gz	PWTRVCMNTHEGPK-UHFFFAOYSA-N	-1	0	283.312	3.323	20	30		CGEDRM
[CH2]CCNC(=O)NC(C)(C)c1cccc(C(=C)C)c1	ZINC001189281826	810554208	/nfs/dbraw/zinc/55/42/08/810554208.db2.gz	OFEUHRHIZQNWEZ-UHFFFAOYSA-N	-1	0	259.373	3.478	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cc(CC(C)(C)C)no2)CC1	ZINC001190766451	810647565	/nfs/dbraw/zinc/64/75/65/810647565.db2.gz	SRIGJAGNPRARQX-UHFFFAOYSA-N	-1	0	298.408	3.114	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1	ZINC001214273870	815393071	/nfs/dbraw/zinc/39/30/71/815393071.db2.gz	VQOOXUWGBTZVQY-UHFFFAOYSA-N	-1	0	282.299	3.399	20	30		CGEDRM
Cc1ccc(O)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001214352556	815400226	/nfs/dbraw/zinc/40/02/26/815400226.db2.gz	MJRJPUBZJRXHEO-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
C[C@@H](NC(=O)Nc1cc(C#N)ccc1[O-])c1ccc(F)cc1	ZINC001193142848	810859731	/nfs/dbraw/zinc/85/97/31/810859731.db2.gz	LMYYIJOBLURMJZ-SNVBAGLBSA-N	-1	0	299.305	3.286	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)OC2CCCCC2)c1	ZINC001193632435	810923443	/nfs/dbraw/zinc/92/34/43/810923443.db2.gz	HQRWMFDCFIRFHA-UHFFFAOYSA-N	-1	0	260.293	3.145	20	30		CGEDRM
C#C[C@H](CCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225878374	817202822	/nfs/dbraw/zinc/20/28/22/817202822.db2.gz	AZZLCSTXXZZZRB-ZCFIWIBFSA-N	-1	0	262.202	3.129	20	30		CGEDRM
CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764028	811289986	/nfs/dbraw/zinc/28/99/86/811289986.db2.gz	FVXCFFDSDOPCAR-UHFFFAOYSA-N	-1	0	274.364	3.208	20	30		CGEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccs1	ZINC001196648046	811357420	/nfs/dbraw/zinc/35/74/20/811357420.db2.gz	PEPPMRZJHLTMDB-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(Cl)c([O-])c2F)cn1	ZINC001214793878	815452890	/nfs/dbraw/zinc/45/28/90/815452890.db2.gz	OQUHUXYINLFDKJ-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C#N	ZINC001201223186	811799135	/nfs/dbraw/zinc/79/91/35/811799135.db2.gz	WLMZTRFKBGANKU-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
C[C@@H](C#N)c1ccc(Nc2cc(C(=O)[O-])cnc2F)cc1	ZINC001215129980	815486737	/nfs/dbraw/zinc/48/67/37/815486737.db2.gz	IRFMGDXOKWIMTO-VIFPVBQESA-N	-1	0	285.278	3.290	20	30		CGEDRM
[CH2]CCNS(=O)(=O)CCCCCCCCCC	ZINC001201836972	811969515	/nfs/dbraw/zinc/96/95/15/811969515.db2.gz	LNASULTUFUBXFQ-UHFFFAOYSA-N	-1	0	262.439	3.271	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Nc2ccc(F)cc2F)c1	ZINC001202023111	811998293	/nfs/dbraw/zinc/99/82/93/811998293.db2.gz	KONBECYTCDCYEC-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215273779	815502031	/nfs/dbraw/zinc/50/20/31/815502031.db2.gz	AOVYFUQZUFCANU-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CCOc1cc(C)c(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001203046216	812226879	/nfs/dbraw/zinc/22/68/79/812226879.db2.gz	HVOZWSVXAJFMQQ-UHFFFAOYSA-N	-1	0	287.294	3.249	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccnc(Cl)c2[O-])cc1F	ZINC001203673939	812425598	/nfs/dbraw/zinc/42/55/98/812425598.db2.gz	AGIUMRFGFJBTAI-UHFFFAOYSA-N	-1	0	281.649	3.334	20	30		CGEDRM
N#Cc1ccsc1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215608439	815546741	/nfs/dbraw/zinc/54/67/41/815546741.db2.gz	CUTIHMMWHYLVEL-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccsc1C(=O)[O-]	ZINC001205571996	813008623	/nfs/dbraw/zinc/00/86/23/813008623.db2.gz	AKWOJJDVSJEOKV-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)OCC2	ZINC001206666623	813394152	/nfs/dbraw/zinc/39/41/52/813394152.db2.gz	DTMAFEJJCJNZMG-UHFFFAOYSA-N	-1	0	258.302	3.004	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(F)c([O-])cc2F)nc1C	ZINC001206756287	813423631	/nfs/dbraw/zinc/42/36/31/813423631.db2.gz	ZSAKVTJQCMTXLH-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210071717	814273455	/nfs/dbraw/zinc/27/34/55/814273455.db2.gz	OCBRDGICURPKSE-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])nc2)c(Cl)c1	ZINC001210178136	814322257	/nfs/dbraw/zinc/32/22/57/814322257.db2.gz	YMTBRPSDYZCINL-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C)cc1C#N	ZINC001210258949	814370924	/nfs/dbraw/zinc/37/09/24/814370924.db2.gz	WAWWCCJDWBIKPP-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210399341	814445738	/nfs/dbraw/zinc/44/57/38/814445738.db2.gz	QRHXOMLNWYVKQW-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC001210400116	814446032	/nfs/dbraw/zinc/44/60/32/814446032.db2.gz	BCFBYHABWUTKRA-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
CNC(=O)c1cc(C#N)cc(C)c1Nc1cccc([S-])c1	ZINC001210948383	814687231	/nfs/dbraw/zinc/68/72/31/814687231.db2.gz	SJMJWWWVUCKARP-UHFFFAOYSA-N	-1	0	297.383	3.259	20	30		CGEDRM
COc1c(Nc2ccc(C#N)cc2F)cccc1C(=O)[O-]	ZINC001211037648	814714981	/nfs/dbraw/zinc/71/49/81/814714981.db2.gz	OVGAVXBOIQHNDL-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)c([O-])cc2F)c(C#N)c1	ZINC001211352764	814885006	/nfs/dbraw/zinc/88/50/06/814885006.db2.gz	ONEJTDXAXRBLCL-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(Cl)nc1C#N	ZINC001211616231	814917914	/nfs/dbraw/zinc/91/79/14/814917914.db2.gz	CMOWZJBYXLPVKW-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1c(C#N)cccc1[N-]c1nnc(-c2ccco2)o1	ZINC001216173161	815718896	/nfs/dbraw/zinc/71/88/96/815718896.db2.gz	BUTVNVOWOIAPDV-UHFFFAOYSA-N	-1	0	266.260	3.253	20	30		CGEDRM
Nc1c(F)cc(-c2ccc(/C=N/[O-])c(F)c2)cc1F	ZINC001242841193	823149030	/nfs/dbraw/zinc/14/90/30/823149030.db2.gz	NBPSRFCTZRXWGM-NGYBGAFCSA-N	-1	0	266.222	3.161	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cncc(OCC2CC2)c1	ZINC001216598266	815870967	/nfs/dbraw/zinc/87/09/67/815870967.db2.gz	PGNGKAVKNREZQM-UHFFFAOYSA-N	-1	0	287.344	3.253	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1cccc([S-])c1	ZINC001242867247	823158812	/nfs/dbraw/zinc/15/88/12/823158812.db2.gz	JOPHCJLNUBSJLO-UHFFFAOYSA-N	-1	0	269.325	3.301	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3ccc(F)cc3)no2)ccc1[O-]	ZINC001216969881	815904339	/nfs/dbraw/zinc/90/43/39/815904339.db2.gz	TVUDFCVBJWJUCK-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3cc(F)ccc3F)no2)c([O-])c1	ZINC001217038365	815906443	/nfs/dbraw/zinc/90/64/43/815906443.db2.gz	CJWDXYHTDRTYFL-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1nc(C(C)C)ccc1C#N	ZINC001242920043	823172267	/nfs/dbraw/zinc/17/22/67/823172267.db2.gz	HOXDLKPEZOVFJG-UHFFFAOYSA-N	-1	0	296.326	3.450	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CS)cc1	ZINC001242924299	823173539	/nfs/dbraw/zinc/17/35/39/823173539.db2.gz	PJEZGOUOVJOQPO-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2c(F)cc(C(=O)[O-])cc2F)n1	ZINC001222373626	816422254	/nfs/dbraw/zinc/42/22/54/816422254.db2.gz	PXAWORXIGVBDIU-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
[O-]/N=C(\O[C@@H]1CCC(F)(F)C1)c1cc(F)ccc1F	ZINC001223891204	816699326	/nfs/dbraw/zinc/69/93/26/816699326.db2.gz	FHOPPRGPLAJNCG-QVFVXQRISA-N	-1	0	277.217	3.305	20	30		CGEDRM
C=C[C@@H](CCCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224903678	816906925	/nfs/dbraw/zinc/90/69/25/816906925.db2.gz	UEJQFOWJGZTUEB-AWEZNQCLSA-N	-1	0	298.404	3.237	20	30		CGEDRM
C=C[C@H](CCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225023217	816934436	/nfs/dbraw/zinc/93/44/36/816934436.db2.gz	WCNIHWYOWORFTH-GFCCVEGCSA-N	-1	0	264.302	3.096	20	30		CGEDRM
C=CC[C@@H](C=C)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884681	817205600	/nfs/dbraw/zinc/20/56/00/817205600.db2.gz	IQNNQCJKRLQUSF-ZCFIWIBFSA-N	-1	0	262.202	3.458	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225978260	817236296	/nfs/dbraw/zinc/23/62/96/817236296.db2.gz	QJKNHOPCDYQSKD-LURJTMIESA-N	-1	0	296.314	3.067	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc(F)cc1	ZINC001226013231	817249235	/nfs/dbraw/zinc/24/92/35/817249235.db2.gz	KTTIPOUWDOGGEK-MRVPVSSYSA-N	-1	0	276.242	3.077	20	30		CGEDRM
Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222270	817302377	/nfs/dbraw/zinc/30/23/77/817302377.db2.gz	XHLIGZAGLRAHNZ-HNNXBMFYSA-N	-1	0	280.327	3.342	20	30		CGEDRM
O/N=C/c1ccnc(O[C@@H]2CCc3cc(Cl)ccc32)n1	ZINC001226256613	817313007	/nfs/dbraw/zinc/31/30/07/817313007.db2.gz	UOIWHSDZZNGVPY-QOSBVPTNSA-N	-1	0	289.722	3.004	20	30		CGEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226407889	817348991	/nfs/dbraw/zinc/34/89/91/817348991.db2.gz	ACJDERKICCXYDM-SNVBAGLBSA-N	-1	0	262.284	3.208	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226423076	817352279	/nfs/dbraw/zinc/35/22/79/817352279.db2.gz	DMXFUMPUBJRDQU-JTQLQIEISA-N	-1	0	254.305	3.143	20	30		CGEDRM
CC(=O)c1ccc(O)c(O[C@H](C)c2ccccc2C#N)c1O	ZINC001226481333	817372276	/nfs/dbraw/zinc/37/22/76/817372276.db2.gz	FISKJRILYMNYIY-LLVKDONJSA-N	-1	0	297.310	3.312	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](Oc2ccnc(=S)[nH]2)C(C)(C)O1	ZINC001226941022	817511795	/nfs/dbraw/zinc/51/17/95/817511795.db2.gz	WRINZDREEXHYBM-YGRLFVJLSA-N	-1	0	280.393	3.046	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(C3(C#N)CC3)cn2)c1	ZINC001243179445	823276125	/nfs/dbraw/zinc/27/61/25/823276125.db2.gz	VXMPPMFATXSOHT-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cc(C)cc(C(=O)[O-])c1	ZINC001243180616	823276666	/nfs/dbraw/zinc/27/66/66/823276666.db2.gz	LUAWTMLQCVZEAH-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
CC#CC[C@@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605792	817680038	/nfs/dbraw/zinc/68/00/38/817680038.db2.gz	OPVSQAFERBLYRR-SSDOTTSWSA-N	-1	0	275.135	3.060	20	30		CGEDRM
C#C[C@@H](CCCC)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227746801	817710063	/nfs/dbraw/zinc/71/00/63/817710063.db2.gz	UXOHWKNUURLZBK-NSHDSACASA-N	-1	0	273.292	3.042	20	30		CGEDRM
Cc1ccc(-c2ccc3c(C#N)c[nH]c3n2)cc1C(=O)[O-]	ZINC001243193959	823284033	/nfs/dbraw/zinc/28/40/33/823284033.db2.gz	UUCNMWTZIABESJ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
Cc1ccc(-c2ccc(CC#N)cc2)cc1C(=O)[O-]	ZINC001243195049	823284800	/nfs/dbraw/zinc/28/48/00/823284800.db2.gz	QBNFTRJKDYVQCM-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(C#N)cc(C#N)c1	ZINC001243205152	823290381	/nfs/dbraw/zinc/29/03/81/823290381.db2.gz	ZVMFYSPBWMQBGK-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
C#CC[C@H](C)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228186028	817833651	/nfs/dbraw/zinc/83/36/51/817833651.db2.gz	NCDMMKFIQFPHNM-ZDUSSCGKSA-N	-1	0	280.323	3.414	20	30		CGEDRM
C#C[C@H](CC)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228186570	817833855	/nfs/dbraw/zinc/83/38/55/817833855.db2.gz	SGDWHQILRJBWGS-OAHLLOKOSA-N	-1	0	280.323	3.414	20	30		CGEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2nccs2)c1	ZINC001232677191	818417345	/nfs/dbraw/zinc/41/73/45/818417345.db2.gz	CDKWLUTVMCTHEQ-CYBMUJFWSA-N	-1	0	285.372	3.057	20	30		CGEDRM
N#CCc1ncccc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243325488	823348739	/nfs/dbraw/zinc/34/87/39/823348739.db2.gz	HQPNBRBEKCOCHM-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
C[C@@H](Oc1ccccc1C(=O)CC#N)C1=CC=C[CH]1	ZINC001233523592	818632452	/nfs/dbraw/zinc/63/24/52/818632452.db2.gz	CPJQJUONOPXRQA-GFCCVEGCSA-N	-1	0	252.293	3.251	20	30		CGEDRM
Cc1cc(=O)[n-]c(OC2CCCCCCC2)c1C#N	ZINC001233919239	818730589	/nfs/dbraw/zinc/73/05/89/818730589.db2.gz	AYFUIXWOWZHWOL-UHFFFAOYSA-N	-1	0	260.337	3.459	20	30		CGEDRM
C=C[C@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234813719	818923973	/nfs/dbraw/zinc/92/39/73/818923973.db2.gz	KHKDGFHOELNXPC-LLVKDONJSA-N	-1	0	260.289	3.150	20	30		CGEDRM
CC1(C#N)CN(Cc2cc(Cl)c(Cl)cc2O)C1	ZINC001236793692	819596486	/nfs/dbraw/zinc/59/64/86/819596486.db2.gz	NVUWUBRKCADIOR-UHFFFAOYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1F	ZINC001239261456	820244186	/nfs/dbraw/zinc/24/41/86/820244186.db2.gz	GOSLEEBFXFQHKL-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cccc(-c2ccc(C(F)(F)F)cc2[O-])n1	ZINC001243605098	823464527	/nfs/dbraw/zinc/46/45/27/823464527.db2.gz	RPXMQZVGMZCCRP-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc(F)c(C(=O)[O-])c(F)c3)ccc12	ZINC001239337257	820280800	/nfs/dbraw/zinc/28/08/00/820280800.db2.gz	PLOSWXCQKPBWTE-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
COc1cc(-c2cccc(/C=C/C(=O)[O-])c2)cc(F)c1C#N	ZINC001240551410	821137659	/nfs/dbraw/zinc/13/76/59/821137659.db2.gz	XDPRBVBOVACROG-AATRIKPKSA-N	-1	0	297.285	3.471	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1cc(F)ccc1[O-]	ZINC001240694446	821250760	/nfs/dbraw/zinc/25/07/60/821250760.db2.gz	SXZYGWOZFWPXDH-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc2[nH]c(C#N)cc2c1	ZINC001240737599	821290594	/nfs/dbraw/zinc/29/05/94/821290594.db2.gz	IQKIZZQUSUVXGM-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
Cc1cc(-c2ccc(CC(=O)[O-])cc2)cc(F)c1C#N	ZINC001240976022	821459564	/nfs/dbraw/zinc/45/95/64/821459564.db2.gz	POOOQAUONUIHHH-UHFFFAOYSA-N	-1	0	269.275	3.300	20	30		CGEDRM
COc1cc(-c2ccc(CC(=O)[O-])cc2)cc(F)c1C#N	ZINC001240978226	821461359	/nfs/dbraw/zinc/46/13/59/821461359.db2.gz	UKVVSZTXULOSME-UHFFFAOYSA-N	-1	0	285.274	3.000	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cc(C(=O)[O-])ccc1C	ZINC001240999533	821477291	/nfs/dbraw/zinc/47/72/91/821477291.db2.gz	NYZRQYGWVRXFKJ-UHFFFAOYSA-N	-1	0	293.326	3.291	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(CC#N)c1	ZINC001241000994	821480028	/nfs/dbraw/zinc/48/00/28/821480028.db2.gz	QASQWGSBLPUEPK-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1ccc(-c2nc3ncccc3cc2C#N)c([O-])c1	ZINC001241038567	821514000	/nfs/dbraw/zinc/51/40/00/821514000.db2.gz	TVCUFVQVKHJABY-UHFFFAOYSA-N	-1	0	261.284	3.183	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2c(F)cc(O)cc2F)cc1F	ZINC001241121623	821577695	/nfs/dbraw/zinc/57/76/95/821577695.db2.gz	OKIQQEQSBQNRHJ-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)cnc1F	ZINC001241349646	821752635	/nfs/dbraw/zinc/75/26/35/821752635.db2.gz	MAESGNDWEGOXOO-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241350699	821752789	/nfs/dbraw/zinc/75/27/89/821752789.db2.gz	YMVUCMNJLUQBDB-UHFFFAOYSA-N	-1	0	297.701	3.405	20	30		CGEDRM
C=CCOCc1cccc(-c2cncc(C(=O)[O-])c2)c1	ZINC001241802334	822151515	/nfs/dbraw/zinc/15/15/15/822151515.db2.gz	OQRXCFDMPFIKSR-UHFFFAOYSA-N	-1	0	269.300	3.149	20	30		CGEDRM
O=C([O-])c1cc(F)cc(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001241835167	822170613	/nfs/dbraw/zinc/17/06/13/822170613.db2.gz	DAAKXJBDCLKQLN-SDXDJHTJSA-N	-1	0	285.274	3.315	20	30		CGEDRM
COc1cnc(-c2cc(C(F)(F)F)ccc2[O-])c(C#N)c1	ZINC001242131573	822888317	/nfs/dbraw/zinc/88/83/17/822888317.db2.gz	NCYQTKRDVKUIEG-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
COc1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1C#N	ZINC001242131827	822888475	/nfs/dbraw/zinc/88/84/75/822888475.db2.gz	RPQZMEIFZKZLBZ-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(CC(=O)[O-])c3)nc2)CCC1	ZINC001242261625	822929511	/nfs/dbraw/zinc/92/95/11/822929511.db2.gz	JJYXMWQJDPZIBC-UHFFFAOYSA-N	-1	0	292.338	3.321	20	30		CGEDRM
N#CCc1cccc(-c2cccc(CC(=O)[O-])c2)c1F	ZINC001242262519	822929757	/nfs/dbraw/zinc/92/97/57/822929757.db2.gz	OJHAZIRBTVWEHP-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc(CC(=O)[O-])c1)CCCC2	ZINC001242264112	822930377	/nfs/dbraw/zinc/93/03/77/822930377.db2.gz	VCDTXCFRFFFXEF-UHFFFAOYSA-N	-1	0	292.338	3.126	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242336668	822954183	/nfs/dbraw/zinc/95/41/83/822954183.db2.gz	WSFKCBKXJIWFAU-UHFFFAOYSA-N	-1	0	266.300	3.248	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc(C(=O)[O-])c1F)CCCC2	ZINC001242380426	822974944	/nfs/dbraw/zinc/97/49/44/822974944.db2.gz	LXJIDPLYFANHLO-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
Cc1[nH]c(C=NNc2ccc(C)c(Cl)c2)cc1C(=O)[O-]	ZINC001344640703	936540317	/nfs/dbraw/zinc/54/03/17/936540317.db2.gz	ZPKFFTJCGBMZOY-UHFFFAOYSA-N	-1	0	291.738	3.429	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001345795661	936825110	/nfs/dbraw/zinc/82/51/10/936825110.db2.gz	HCRDBNZBBJKQBW-CQSZACIVSA-N	-1	0	287.359	3.264	20	30		CGEDRM
N#CC(=C([O-])c1csc(C#N)c1)c1nc(C2CC2)cs1	ZINC001345813983	936825725	/nfs/dbraw/zinc/82/57/25/936825725.db2.gz	IYVMEFKNGLGCLM-LLVKDONJSA-N	-1	0	299.380	3.444	20	30		CGEDRM
CC[C@H](F)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC001345951255	936830779	/nfs/dbraw/zinc/83/07/79/936830779.db2.gz	IEWVCGCMGVNKNR-NEPJUHHUSA-N	-1	0	286.306	3.116	20	30		CGEDRM
N#CCCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1	ZINC000362682318	928046431	/nfs/dbraw/zinc/04/64/31/928046431.db2.gz	YIMKKRKHUTVALB-UHFFFAOYSA-N	-1	0	299.186	3.259	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1cccc(F)c1[O-]	ZINC001458275976	937457044	/nfs/dbraw/zinc/45/70/44/937457044.db2.gz	YDFICTHVNBHFEC-SNVBAGLBSA-N	-1	0	251.301	3.006	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2c1cc(F)cc2F	ZINC001228901082	932047828	/nfs/dbraw/zinc/04/78/28/932047828.db2.gz	JCZDVQQTNXNCGS-CYBMUJFWSA-N	-1	0	288.253	3.003	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228913776	932050960	/nfs/dbraw/zinc/05/09/60/932050960.db2.gz	UENPKIYSNSMHIM-TVQRCGJNSA-N	-1	0	288.734	3.170	20	30		CGEDRM
C=C[C@H](C)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229355000	932138301	/nfs/dbraw/zinc/13/83/01/932138301.db2.gz	BMCCVHXKHCWIMP-JTQLQIEISA-N	-1	0	278.329	3.040	20	30		CGEDRM
C=C(C)C[C@@H](Oc1nc[n-]c(=O)c1Cl)C(=C)C	ZINC001230016346	932522622	/nfs/dbraw/zinc/52/26/22/932522622.db2.gz	GWNJXMATWDHBKO-SECBINFHSA-N	-1	0	254.717	3.125	20	30		CGEDRM
CCCCCCC[C@@H](C)Oc1ncc(C(=O)OC)[n-]1	ZINC001230279677	932551628	/nfs/dbraw/zinc/55/16/28/932551628.db2.gz	HJIFBROETYZLTP-LLVKDONJSA-N	-1	0	268.357	3.324	20	30		CGEDRM
COc1cc(O)ccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC001318469655	933733102	/nfs/dbraw/zinc/73/31/02/933733102.db2.gz	FAYCPBRMTYFXJW-UTCJRWHESA-N	-1	0	288.274	3.142	20	30		CGEDRM
Nc1ccc(C=[NH+][N-]c2ccccc2C(=O)[O-])cc1Cl	ZINC001319447047	933877636	/nfs/dbraw/zinc/87/76/36/933877636.db2.gz	XHDGUWAAXRHMIX-UHFFFAOYSA-N	-1	0	289.722	3.066	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c([O-])c1	ZINC001467564020	937719136	/nfs/dbraw/zinc/71/91/36/937719136.db2.gz	SLIWFEYYDYIOLN-SNVBAGLBSA-N	-1	0	253.729	3.130	20	30		CGEDRM
O=C([O-])c1ccccc1C=NNc1ccccc1Cl	ZINC001321403847	934181567	/nfs/dbraw/zinc/18/15/67/934181567.db2.gz	DTRNVNAYWBUQDN-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
C#Cc1ccc(NC(=O)CCCc2ccc(O)c(F)c2)cc1	ZINC001472285840	937774886	/nfs/dbraw/zinc/77/48/86/937774886.db2.gz	HLXKSBGQRQQUDL-UHFFFAOYSA-N	-1	0	297.329	3.474	20	30		CGEDRM
Cc1cccc([C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001330806835	935324339	/nfs/dbraw/zinc/32/43/39/935324339.db2.gz	KASPUSDKOTYBNE-LBPRGKRZSA-N	-1	0	280.327	3.315	20	30		CGEDRM
Cc1cc(O)c(C=NNC2CCSCC2)c(Cl)c1	ZINC001333199101	935516704	/nfs/dbraw/zinc/51/67/04/935516704.db2.gz	GCFKUVSYUPSVGO-UHFFFAOYSA-N	-1	0	284.812	3.173	20	30		CGEDRM
CC(=NNC1CCSCC1)[C@H](C)CCCCC(=O)[O-]	ZINC001333655470	935557114	/nfs/dbraw/zinc/55/71/14/935557114.db2.gz	XFHIKALKZJPBEC-LLVKDONJSA-N	-1	0	286.441	3.129	20	30		CGEDRM
C[C@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)c([O-])c1	ZINC001539148418	938123188	/nfs/dbraw/zinc/12/31/88/938123188.db2.gz	HFYHUDYHJZEMOY-LBPRGKRZSA-N	-1	0	292.338	3.245	20	30		CGEDRM
N#CC=C([O-])N=S1(=O)c2ccccc2Nc2ccccc21	ZINC001558541833	938216075	/nfs/dbraw/zinc/21/60/75/938216075.db2.gz	XRDKFWZKMWCCGN-UHFFFAOYSA-N	-1	0	297.339	3.070	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001602717729	971371384	/nfs/dbraw/zinc/37/13/84/971371384.db2.gz	ZHBCUURZQJDQGQ-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
N#Cc1ccc(-c2csc(CCCC(=O)[O-])n2)cc1	ZINC000381733983	971773363	/nfs/dbraw/zinc/77/33/63/971773363.db2.gz	NCGBEKKSLHHVLR-UHFFFAOYSA-N	-1	0	272.329	3.089	20	30		CGEDRM
N#Cc1ccc2c(c1)CCCN2Cc1cccc(C(=O)[O-])c1	ZINC001594627491	956323828	/nfs/dbraw/zinc/32/38/28/956323828.db2.gz	QJLKJEAKIDTRFD-UHFFFAOYSA-N	-1	0	292.338	3.209	20	30		CGEDRM
N#Cc1cccc(CNc2cccc(CCC(=O)[O-])c2)c1F	ZINC001594628522	956332420	/nfs/dbraw/zinc/33/24/20/956332420.db2.gz	ZZXOHNSRUIBMIF-UHFFFAOYSA-N	-1	0	298.317	3.327	20	30		CGEDRM
Cc1ccc(OCc2ccc(C#N)cc2F)c(C(=O)[O-])c1	ZINC000013456813	957090201	/nfs/dbraw/zinc/09/02/01/957090201.db2.gz	AOSBJOXFCYPJJF-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
N#Cc1cc(NCc2ccc(C(=O)[O-])cc2)ccc1F	ZINC000051636445	957506256	/nfs/dbraw/zinc/50/62/56/957506256.db2.gz	MCXMLUSYRBPKNX-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#Cc1ccc(COc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC000162510635	959214776	/nfs/dbraw/zinc/21/47/76/959214776.db2.gz	PMJFKDRSJYSABA-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
C[C@H](CC(=O)[O-])SCc1ccc(C#N)cc1Cl	ZINC000162520811	959216588	/nfs/dbraw/zinc/21/65/88/959216588.db2.gz	OPVXXVXSPBLCKM-MRVPVSSYSA-N	-1	0	269.753	3.308	20	30		CGEDRM
Cc1cc(C#N)ccc1CSc1ncccc1C(=O)[O-]	ZINC000165109538	959270712	/nfs/dbraw/zinc/27/07/12/959270712.db2.gz	IHTXAKUJZHEICZ-UHFFFAOYSA-N	-1	0	284.340	3.252	20	30		CGEDRM
Cc1oc(CNc2cc(C#N)ccc2C)cc1C(=O)[O-]	ZINC000235766681	960492423	/nfs/dbraw/zinc/49/24/23/960492423.db2.gz	MYAXIIBZFAFLGV-UHFFFAOYSA-N	-1	0	270.288	3.078	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC001573325346	962796249	/nfs/dbraw/zinc/79/62/49/962796249.db2.gz	HYSMWSAMXKXSKZ-AWEZNQCLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001573330411	962814899	/nfs/dbraw/zinc/81/48/99/962814899.db2.gz	YRRNLYNTYVXTMM-UHFFFAOYSA-N	-1	0	290.363	3.417	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CCC(C)C	ZINC001573332595	962836629	/nfs/dbraw/zinc/83/66/29/962836629.db2.gz	PAYPOIYOEJYNHN-CQSZACIVSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NCC(C)(C)C1CCCCC1	ZINC001573332716	962840868	/nfs/dbraw/zinc/84/08/68/962840868.db2.gz	NVXZGDTUAULTJK-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001588682575	963044422	/nfs/dbraw/zinc/04/44/22/963044422.db2.gz	NXTGZWGEYYUPSN-AWEZNQCLSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C#CCC(C)(C)C(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC001588390399	963267528	/nfs/dbraw/zinc/26/75/28/963267528.db2.gz	UFMNPONHQDHULN-UHFFFAOYSA-N	-1	0	294.734	3.131	20	30		CGEDRM
C(#Cc1ccccc1)CSc1ccccc1-c1nn[nH]n1	ZINC001588379889	963271872	/nfs/dbraw/zinc/27/18/72/963271872.db2.gz	PTOXDBVPYQRRNC-UHFFFAOYSA-N	-1	0	292.367	3.011	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1	ZINC001588453436	963274913	/nfs/dbraw/zinc/27/49/13/963274913.db2.gz	XMKCAFMDFHDGGR-HNNXBMFYSA-N	-1	0	287.359	3.005	20	30		CGEDRM
C#Cc1ccc(NCc2ncc(C(=O)[O-])s2)c(Cl)c1	ZINC001588518032	963274987	/nfs/dbraw/zinc/27/49/87/963274987.db2.gz	NCNZTYCJJDSODB-UHFFFAOYSA-N	-1	0	292.747	3.088	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccccc2CC(=O)[O-])CCCC1	ZINC001588457689	963274997	/nfs/dbraw/zinc/27/49/97/963274997.db2.gz	JSWIRDBUCQZKAE-UHFFFAOYSA-N	-1	0	287.359	3.389	20	30		CGEDRM
C=CCC1(C(=O)N2CCC(C)(C(=O)[O-])CC2)CCCCC1	ZINC001588457572	963276875	/nfs/dbraw/zinc/27/68/75/963276875.db2.gz	GCRJVTHSDVQCKL-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCC[C@H](C(=O)N(C)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC001588457153	963279970	/nfs/dbraw/zinc/27/99/70/963279970.db2.gz	NELGKRHMLOGHDM-GJZGRUSLSA-N	-1	0	289.375	3.058	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC(C)C)c(C)c1	ZINC001588629220	963289890	/nfs/dbraw/zinc/28/98/90/963289890.db2.gz	BVAAXDJZMGYTRJ-UHFFFAOYSA-N	-1	0	291.347	3.142	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1	ZINC001588664919	963296374	/nfs/dbraw/zinc/29/63/74/963296374.db2.gz	ZMXNTTPYPLNQAF-MRXNPFEDSA-N	-1	0	295.338	3.222	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588673035	963300143	/nfs/dbraw/zinc/30/01/43/963300143.db2.gz	GVZQLTAHAYCNBH-UHFFFAOYSA-N	-1	0	293.338	3.246	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001588681784	963301505	/nfs/dbraw/zinc/30/15/05/963301505.db2.gz	FDHBGISRCREBQA-MRXNPFEDSA-N	-1	0	291.347	3.324	20	30		CGEDRM
C=C[C@H](Nc1cccc(OCCc2ccccc2)c1)C(=O)[O-]	ZINC001588702321	963304201	/nfs/dbraw/zinc/30/42/01/963304201.db2.gz	QDEWUQBWLXXECY-KRWDZBQOSA-N	-1	0	297.354	3.359	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588718851	963304264	/nfs/dbraw/zinc/30/42/64/963304264.db2.gz	HXOCSWDBPOCCKJ-ZDUSSCGKSA-N	-1	0	288.347	3.266	20	30		CGEDRM
C=C[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1	ZINC001588712202	963306238	/nfs/dbraw/zinc/30/62/38/963306238.db2.gz	HQLRXTWRFBKBBL-MRXNPFEDSA-N	-1	0	296.322	3.398	20	30		CGEDRM
C=C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001588712356	963307241	/nfs/dbraw/zinc/30/72/41/963307241.db2.gz	KCZYKJSDSKOPDH-OAHLLOKOSA-N	-1	0	282.295	3.469	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cc(F)cc(Cl)c1)C(=O)[O-]	ZINC001588793407	963315088	/nfs/dbraw/zinc/31/50/88/963315088.db2.gz	XJZUEFVSPDIMPU-GFCCVEGCSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC001588783009	963315929	/nfs/dbraw/zinc/31/59/29/963315929.db2.gz	SROUDKMSDHJPQF-UHFFFAOYSA-N	-1	0	277.320	3.078	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588772248	963316023	/nfs/dbraw/zinc/31/60/23/963316023.db2.gz	BBXDRSAVZNMLLY-SNVBAGLBSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC001588786962	963318114	/nfs/dbraw/zinc/31/81/14/963318114.db2.gz	RZTJCGNZKSTVKW-JSGCOSHPSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001588799943	963320159	/nfs/dbraw/zinc/32/01/59/963320159.db2.gz	RBXRDVAXVZZHKO-PKNBQFBNSA-N	-1	0	291.347	3.196	20	30		CGEDRM
C=CCN(Cc1cccs1)Cc1ccoc1C(=O)[O-]	ZINC001588831794	963320787	/nfs/dbraw/zinc/32/07/87/963320787.db2.gz	QAMIDHHMWNZFJN-UHFFFAOYSA-N	-1	0	277.345	3.228	20	30		CGEDRM
C=CCCCCCN(C)c1nc(C(=O)[O-])c(C)s1	ZINC001588800027	963323107	/nfs/dbraw/zinc/32/31/07/963323107.db2.gz	XAYUOOZKXCLJBX-UHFFFAOYSA-N	-1	0	268.382	3.332	20	30		CGEDRM
C=CCCCCCCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000315123620	963858446	/nfs/dbraw/zinc/85/84/46/963858446.db2.gz	QKNDNKHZBYIQCX-MRXNPFEDSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C[C@@H](C#N)OCCSCc1cccc(C(=O)[O-])c1Cl	ZINC001589331668	963984866	/nfs/dbraw/zinc/98/48/66/963984866.db2.gz	LNSYCVWREVWDKZ-VIFPVBQESA-N	-1	0	299.779	3.200	20	30		CGEDRM
CC(C)(C)[C@H](Nc1ncc(C#N)c2ccsc21)C(=O)[O-]	ZINC001589719470	964016599	/nfs/dbraw/zinc/01/65/99/964016599.db2.gz	HNKYHTNCSGKNLC-LLVKDONJSA-N	-1	0	289.360	3.079	20	30		CGEDRM
CC(C)(C)C#CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC001589684897	964019997	/nfs/dbraw/zinc/01/99/97/964019997.db2.gz	QHXZNMUPBTXJLE-UHFFFAOYSA-N	-1	0	279.723	3.026	20	30		CGEDRM
C#CCCCCCC(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588440610	964040360	/nfs/dbraw/zinc/04/03/60/964040360.db2.gz	DDDNHGKNACNBAB-UHFFFAOYSA-N	-1	0	279.361	3.277	20	30		CGEDRM
C#CCCCCNc1ncc(C(=O)[O-])cc1C(F)(F)F	ZINC001588446724	964077158	/nfs/dbraw/zinc/07/71/58/964077158.db2.gz	XIUXNMPPYLQBBL-UHFFFAOYSA-N	-1	0	286.253	3.014	20	30		CGEDRM
Cc1cc(F)c(C#N)c(N[C@H](Cc2ccccc2)C(=O)[O-])c1	ZINC001605179138	972891298	/nfs/dbraw/zinc/89/12/98/972891298.db2.gz	JJPBJIPJVJSWQU-MRXNPFEDSA-N	-1	0	298.317	3.114	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)co1	ZINC001592008430	976677596	/nfs/dbraw/zinc/67/75/96/976677596.db2.gz	KBQKGRNHSAEWBW-ARJAWSKDSA-N	-1	0	291.328	3.454	20	30		CGEDRM
CCCC[C@H](Sc1c(C#N)cccc1C#N)C(=O)[O-]	ZINC001595656839	982056781	/nfs/dbraw/zinc/05/67/81/982056781.db2.gz	DJMDHZPYUUUFTE-LBPRGKRZSA-N	-1	0	274.345	3.165	20	30		CGEDRM
CCCC[C@@H](Sc1cc(F)ccc1C#N)C(=O)[O-]	ZINC001595658005	982068208	/nfs/dbraw/zinc/06/82/08/982068208.db2.gz	YRKUUMNKHYSXFZ-LLVKDONJSA-N	-1	0	267.325	3.433	20	30		CGEDRM
CCCCCCCNC(=O)Nc1cnc(C)c(C(=O)[O-])c1	ZINC001595704520	982276414	/nfs/dbraw/zinc/27/64/14/982276414.db2.gz	SCLYVAFMLTUZAD-UHFFFAOYSA-N	-1	0	293.367	3.180	20	30		CGEDRM
C[C@@H](NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12)C(C)(C)C	ZINC001593319486	994847972	/nfs/dbraw/zinc/84/79/72/994847972.db2.gz	QFXUCUVWMJGOFD-SNVBAGLBSA-N	-1	0	287.363	3.224	20	30		CGEDRM
C[C@@H](Sc1ccccc1C#N)c1nc(C(=O)[O-])co1	ZINC001593667171	996056078	/nfs/dbraw/zinc/05/60/78/996056078.db2.gz	BWOHAGOZNPXTOG-MRVPVSSYSA-N	-1	0	274.301	3.098	20	30		CGEDRM
C[C@H](Sc1cccnc1C#N)c1ccc(C(=O)[O-])o1	ZINC001593679351	996099988	/nfs/dbraw/zinc/09/99/88/996099988.db2.gz	JBGZLXWJEDUBKH-QMMMGPOBSA-N	-1	0	274.301	3.098	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c(F)c1	ZINC001599478546	998571971	/nfs/dbraw/zinc/57/19/71/998571971.db2.gz	LZXJVZLMLCOTQW-GORDUTHDSA-N	-1	0	290.246	3.022	20	30		CGEDRM
CO[C@H](C(=O)[O-])c1ccccc1OCCCC(C)(C)C#N	ZINC001599025823	999015379	/nfs/dbraw/zinc/01/53/79/999015379.db2.gz	GKIHLLOQILMXGA-AWEZNQCLSA-N	-1	0	291.347	3.167	20	30		CGEDRM
C[C@H]1CCC(N=Nc2cccc(C(=O)[O-])c2F)C1	ZINC001594293068	999130371	/nfs/dbraw/zinc/13/03/71/999130371.db2.gz	WKQJSMYNAZAWBV-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@@H]1CCCC1N=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001594357336	999351442	/nfs/dbraw/zinc/35/14/42/999351442.db2.gz	LRXIPHCMNYZLFJ-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
N#Cc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F	ZINC000097066943	345906623	/nfs/dbraw/zinc/90/66/23/345906623.db2.gz	GWCNJNIJEULMDF-SCZZXKLOSA-N	-1	0	298.264	3.242	20	30		CGEDRM
CC(C)(C)n1cc(-c2ccc(F)cc2C#N)c(C(=O)[O-])n1	ZINC000594871971	347217579	/nfs/dbraw/zinc/21/75/79/347217579.db2.gz	KOZMMGYNXPVELQ-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
N#Cc1cccc(Cl)c1N1CCC[C@H](CCC(=O)[O-])C1	ZINC000595975239	347373602	/nfs/dbraw/zinc/37/36/02/347373602.db2.gz	OXUWBQIOJHXZFM-LLVKDONJSA-N	-1	0	292.766	3.293	20	30		CGEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ccc(Cl)cc1	ZINC000740619098	571843385	/nfs/dbraw/zinc/84/33/85/571843385.db2.gz	BMKOGLHCNLHAAA-SECBINFHSA-N	-1	0	281.743	3.176	20	30		CGEDRM
Cc1cccc(-c2nc(=NCC3(CC#N)CC3)s[n-]2)c1	ZINC000601160573	347876703	/nfs/dbraw/zinc/87/67/03/347876703.db2.gz	YWWUPKNCLVKSLP-UHFFFAOYSA-N	-1	0	284.388	3.041	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(C3CC3)cc2=O)cc1C(F)(F)F	ZINC000601940754	347927189	/nfs/dbraw/zinc/92/71/89/347927189.db2.gz	RKDALKDJGSRRDG-UHFFFAOYSA-N	-1	0	293.248	3.080	20	30		CGEDRM
CCCCc1[n-]n(Cc2ccc(C#N)cc2)c(=O)c1C	ZINC000601944520	347928017	/nfs/dbraw/zinc/92/80/17/347928017.db2.gz	ICHKTDSBDGWOGY-GFCCVEGCSA-N	-1	0	269.348	3.083	20	30		CGEDRM
CCc1cc(=O)n(-c2ccc(C#N)cc2C(F)(F)F)[n-]1	ZINC000601948888	347928667	/nfs/dbraw/zinc/92/86/67/347928667.db2.gz	NABWMLYFHVJIJW-UHFFFAOYSA-N	-1	0	281.237	3.080	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000628493808	350560444	/nfs/dbraw/zinc/56/04/44/350560444.db2.gz	XOWOFLFFGWGLKA-JTQLQIEISA-N	-1	0	299.292	3.449	20	30		CGEDRM
C=CCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CCC1	ZINC000630266349	350819968	/nfs/dbraw/zinc/81/99/68/350819968.db2.gz	DNTRWCYSUIFGNY-AWEZNQCLSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-]	ZINC000630321972	350823313	/nfs/dbraw/zinc/82/33/13/350823313.db2.gz	NMPXOPDAJXFWBI-CQSZACIVSA-N	-1	0	289.375	3.133	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000630326656	350823811	/nfs/dbraw/zinc/82/38/11/350823811.db2.gz	RSODPXXUJDSBPT-DZGCQCFKSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)C(C)(C)CCC(=O)[O-]	ZINC000634864813	351598420	/nfs/dbraw/zinc/59/84/20/351598420.db2.gz	WLUMGUILLVQZTD-UHFFFAOYSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000634931549	351605623	/nfs/dbraw/zinc/60/56/23/351605623.db2.gz	FPNWAIHZPBHIFO-OKILXGFUSA-N	-1	0	291.391	3.121	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1nc2ccccc2s1	ZINC000041501729	369188263	/nfs/dbraw/zinc/18/82/63/369188263.db2.gz	QPJICZQQYOBWLN-SNVBAGLBSA-N	-1	0	268.297	3.379	20	30		CGEDRM
CCOc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041520029	369189817	/nfs/dbraw/zinc/18/98/17/369189817.db2.gz	LDQKINYAJGCQQK-GFCCVEGCSA-N	-1	0	286.356	3.340	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041543380	369191143	/nfs/dbraw/zinc/19/11/43/369191143.db2.gz	JWENJDIIZCRUGS-JTQLQIEISA-N	-1	0	266.256	3.219	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1CCC1	ZINC000048519754	369356700	/nfs/dbraw/zinc/35/67/00/369356700.db2.gz	FKJDUJFCVXWNTE-UHFFFAOYSA-N	-1	0	293.388	3.011	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1ncc(C(C)(C)C)s1	ZINC000427757993	372175421	/nfs/dbraw/zinc/17/54/21/372175421.db2.gz	ZIQWOLGPCCOUOY-UHFFFAOYSA-N	-1	0	288.438	3.149	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C(C)C)nc2C)n1	ZINC000429690003	372375024	/nfs/dbraw/zinc/37/50/24/372375024.db2.gz	HCHWTHNWZLMRII-JTQLQIEISA-N	-1	0	289.360	3.361	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000443113857	373150497	/nfs/dbraw/zinc/15/04/97/373150497.db2.gz	JHPIGJLJOMWQHV-CYBMUJFWSA-N	-1	0	298.726	3.495	20	30		CGEDRM
Cc1oc(C#N)cc1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000334140266	206049776	/nfs/dbraw/zinc/04/97/76/206049776.db2.gz	DSCIYGAJUWACRR-UHFFFAOYSA-N	-1	0	294.669	3.210	20	30		CGEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000329395929	374406877	/nfs/dbraw/zinc/40/68/77/374406877.db2.gz	VVGXHVKPSMNYJO-FTLITQJKSA-N	-1	0	280.374	3.371	20	30		CGEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(Cl)c1	ZINC000188211841	375176802	/nfs/dbraw/zinc/17/68/02/375176802.db2.gz	YZQJKHAQBPOCMN-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
N#CC(=C([O-])c1cc2cccc(F)c2o1)c1ccccn1	ZINC000122754846	542025708	/nfs/dbraw/zinc/02/57/08/542025708.db2.gz	JAEVZRQHVUWWRZ-NSHDSACASA-N	-1	0	280.258	3.457	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1cocn1	ZINC000730733151	572370421	/nfs/dbraw/zinc/37/04/21/572370421.db2.gz	VGBCXLYBQSKTTM-BNNQUZSASA-N	-1	0	271.103	3.306	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000353321936	380203324	/nfs/dbraw/zinc/20/33/24/380203324.db2.gz	YBFOLVDNKZGECA-UHFFFAOYSA-N	-1	0	292.335	3.119	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nccc3ccccc32)co1	ZINC000361532196	381788781	/nfs/dbraw/zinc/78/87/81/381788781.db2.gz	WCKRUYGPSIGSMA-ZDUSSCGKSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1c(C#N)cccc1NC(=O)c1c([O-])cc(F)cc1F	ZINC000178770191	392684044	/nfs/dbraw/zinc/68/40/44/392684044.db2.gz	GDKVTDLAYDBBJT-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647377923	392711819	/nfs/dbraw/zinc/71/18/19/392711819.db2.gz	AUJPNRNBLXLNMG-VIFPVBQESA-N	-1	0	289.385	3.276	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1cnc2ccc(C)cc2c1O	ZINC000343006311	393016197	/nfs/dbraw/zinc/01/61/97/393016197.db2.gz	DAAUOVPWFFWTHZ-ZDUSSCGKSA-N	-1	0	296.370	3.017	20	30		CGEDRM
Cc1[nH]c(C#N)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000453682799	394265553	/nfs/dbraw/zinc/26/55/53/394265553.db2.gz	AEFUWGGLMQYTES-GFCCVEGCSA-N	-1	0	298.371	3.265	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2occ3c2CCC3)n1	ZINC000671745037	543184426	/nfs/dbraw/zinc/18/44/26/543184426.db2.gz	JTCSSFXTOYKTFU-LLVKDONJSA-N	-1	0	272.329	3.023	20	30		CGEDRM
Cn1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1	ZINC000675643541	543351574	/nfs/dbraw/zinc/35/15/74/543351574.db2.gz	BJVDUWJAUSRRHR-NSHDSACASA-N	-1	0	299.330	3.264	20	30		CGEDRM
CCCC[C@@H](Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000061845231	175656085	/nfs/dbraw/zinc/65/60/85/175656085.db2.gz	OSHFBFQOBGPEMX-GFCCVEGCSA-N	-1	0	266.728	3.267	20	30		CGEDRM
COCc1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000659010330	418956576	/nfs/dbraw/zinc/95/65/76/418956576.db2.gz	KYKWYGBMYURSNM-SNVBAGLBSA-N	-1	0	292.385	3.150	20	30		CGEDRM
C=CCCC1(CNC(=O)CCCCC(=O)[O-])CCCC1	ZINC000659167606	418963262	/nfs/dbraw/zinc/96/32/62/418963262.db2.gz	YERDJCBJZAYQBP-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000653296542	419024858	/nfs/dbraw/zinc/02/48/58/419024858.db2.gz	TYHFNNNHEKILOC-INIZCTEOSA-N	-1	0	279.380	3.002	20	30		CGEDRM
C=CCC1(NC(=O)NCC(CC)(CC)C(=O)[O-])CCCC1	ZINC000659409222	418983639	/nfs/dbraw/zinc/98/36/39/418983639.db2.gz	KBJVDRJOIHWGOR-UHFFFAOYSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C=CCCC1(CNC(=O)C2(C(=O)[O-])CC=CC2)CCCC1	ZINC000663124393	419517990	/nfs/dbraw/zinc/51/79/90/419517990.db2.gz	CFVXRVMQVPPQPC-UHFFFAOYSA-N	-1	0	291.391	3.050	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C)C2)c1	ZINC000076759939	260166618	/nfs/dbraw/zinc/16/66/18/260166618.db2.gz	VCSQZFWIUWSRRP-AAEUAGOBSA-N	-1	0	295.404	3.467	20	30		CGEDRM
CCO[C@@H](CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000074797270	260288245	/nfs/dbraw/zinc/28/82/45/260288245.db2.gz	PSRFPWQXCDIVAE-BMANGOCTSA-N	-1	0	294.351	3.171	20	30		CGEDRM
CC(C)(C)c1[n-]n(CCC(F)(F)F)c(=O)c1CCC#N	ZINC000340077568	263066934	/nfs/dbraw/zinc/06/69/34/263066934.db2.gz	XWKBGXPIZGXAKK-UHFFFAOYSA-N	-1	0	289.301	3.295	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000343289623	264373342	/nfs/dbraw/zinc/37/33/42/264373342.db2.gz	MBEBIZAWSQIXRR-LLVKDONJSA-N	-1	0	296.440	3.025	20	30		CGEDRM
Cc1sc(/C=C\c2ccc(F)c(C#N)c2)nc1C(=O)[O-]	ZINC000339113521	302879015	/nfs/dbraw/zinc/87/90/15/302879015.db2.gz	DOPVIUXRKDSRLC-HYXAFXHYSA-N	-1	0	288.303	3.331	20	30		CGEDRM
CSc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000188233639	327747429	/nfs/dbraw/zinc/74/74/29/327747429.db2.gz	FWUAPQUTCYUSCC-UHFFFAOYSA-N	-1	0	284.340	3.238	20	30		CGEDRM
N#CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000185936648	327244617	/nfs/dbraw/zinc/24/46/17/327244617.db2.gz	WPCMABXKOUCHFZ-UHFFFAOYSA-N	-1	0	279.510	3.205	20	30		CGEDRM
C=C1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1	ZINC000570521782	327597428	/nfs/dbraw/zinc/59/74/28/327597428.db2.gz	KBKGTXGEABINDK-UHFFFAOYSA-N	-1	0	298.342	3.192	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000263170298	330047226	/nfs/dbraw/zinc/04/72/26/330047226.db2.gz	FUFOFFFBGRJDON-NWDGAFQWSA-N	-1	0	275.348	3.416	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1cccc(C(=O)[O-])c1	ZINC000263447469	330056312	/nfs/dbraw/zinc/05/63/12/330056312.db2.gz	GGKQEOHCWQIBIP-UHFFFAOYSA-N	-1	0	274.364	3.147	20	30		CGEDRM
Cc1nsc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000429697961	330552499	/nfs/dbraw/zinc/55/24/99/330552499.db2.gz	LOGWHPMLMJUERX-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
Cc1ncoc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430595634	330569529	/nfs/dbraw/zinc/56/95/29/330569529.db2.gz	HXCACSICYYWKJD-SECBINFHSA-N	-1	0	289.360	3.227	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000529058692	333470734	/nfs/dbraw/zinc/47/07/34/333470734.db2.gz	XJVUSYLIXUOUPQ-UHFFFAOYSA-N	-1	0	284.718	3.453	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-]	ZINC000262825055	334574707	/nfs/dbraw/zinc/57/47/07/334574707.db2.gz	FIJFJESEDPEKHJ-TUVASFSCSA-N	-1	0	293.407	3.129	20	30		CGEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1C[C@]12CCOC2	ZINC000329998656	534328988	/nfs/dbraw/zinc/32/89/88/534328988.db2.gz	SSIGLVUABNNTJP-SDBXPKJASA-N	-1	0	285.702	3.199	20	30		CGEDRM
C#CCCCOC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738457238	571766847	/nfs/dbraw/zinc/76/68/47/571766847.db2.gz	KMUQUMRCGRYTQW-UHFFFAOYSA-N	-1	0	281.695	3.000	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc3cnccc32)cc1	ZINC000728432504	571806077	/nfs/dbraw/zinc/80/60/77/571806077.db2.gz	VCIQLNSMFAUNTF-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
N#CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000730149066	571951684	/nfs/dbraw/zinc/95/16/84/571951684.db2.gz	BBQCOVDCWBHMLK-XQRVVYSFSA-N	-1	0	297.285	3.330	20	30		CGEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@@H]2c2ccco2)cc1	ZINC000739104431	572401848	/nfs/dbraw/zinc/40/18/48/572401848.db2.gz	GHGGSIOBHCJBPS-GDBMZVCRSA-N	-1	0	296.326	3.114	20	30		CGEDRM
O=C([O-])C[C@H](/N=C\c1ccccc1O)c1ccccc1	ZINC000739627717	572421244	/nfs/dbraw/zinc/42/12/44/572421244.db2.gz	ZELBAWBPWNVTPJ-FMNVXAMXSA-N	-1	0	269.300	3.027	20	30		CGEDRM
Cc1cc(=O)[nH]c(NN=C(c2ccccc2C)C2CC2)n1	ZINC000731922825	572437031	/nfs/dbraw/zinc/43/70/31/572437031.db2.gz	NMXNRLSZFRBYKO-UHFFFAOYSA-N	-1	0	282.347	3.025	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2ccccc2n1	ZINC000741462426	572499952	/nfs/dbraw/zinc/49/99/52/572499952.db2.gz	OUJUMFQIRJUQND-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(C#N)c1	ZINC000743501802	572667801	/nfs/dbraw/zinc/66/78/01/572667801.db2.gz	RLDMEIHFXQYSPN-VDCVXVNISA-N	-1	0	295.298	3.352	20	30		CGEDRM
C=CCCS[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735416723	572721836	/nfs/dbraw/zinc/72/18/36/572721836.db2.gz	POTJZBXRVRIDTI-JTQLQIEISA-N	-1	0	260.366	3.237	20	30		CGEDRM
C=CC1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1	ZINC000736097041	572767920	/nfs/dbraw/zinc/76/79/20/572767920.db2.gz	VVMAKMNSYRTQOR-UHFFFAOYSA-N	-1	0	289.335	3.206	20	30		CGEDRM
C=CCCO[C@@H](C)c1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000736102467	572767968	/nfs/dbraw/zinc/76/79/68/572767968.db2.gz	JKLRKSJCWFIYSY-JTQLQIEISA-N	-1	0	288.303	3.089	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736096047	572768288	/nfs/dbraw/zinc/76/82/88/572768288.db2.gz	GHKHSDWJXLUCJR-MRVPVSSYSA-N	-1	0	281.287	3.002	20	30		CGEDRM
C=CCn1c(SC/C=C(/C)C(=O)[O-])nc2ccccc21	ZINC000736117499	572768674	/nfs/dbraw/zinc/76/86/74/572768674.db2.gz	LBVZHSVYQKJUEP-FLIBITNWSA-N	-1	0	288.372	3.345	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CCc3ccccc32)c1	ZINC000748410792	572975918	/nfs/dbraw/zinc/97/59/18/572975918.db2.gz	QLIRMPMHBMPEIV-CQSZACIVSA-N	-1	0	292.338	3.322	20	30		CGEDRM
CSCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748409950	572975936	/nfs/dbraw/zinc/97/59/36/572975936.db2.gz	AGWKTSHGCNMBOR-UHFFFAOYSA-N	-1	0	298.367	3.379	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1	ZINC000749745830	573029626	/nfs/dbraw/zinc/02/96/26/573029626.db2.gz	GLSKRFGAHSMGBT-VGOFMYFVSA-N	-1	0	284.242	3.140	20	30		CGEDRM
C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)[O-]	ZINC000004451128	597052187	/nfs/dbraw/zinc/05/21/87/597052187.db2.gz	OOLJHTNNLJIHMB-SNVBAGLBSA-N	-1	0	284.340	3.185	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000398062343	598186953	/nfs/dbraw/zinc/18/69/53/598186953.db2.gz	CPCVGVIEYJLFGQ-LBPRGKRZSA-N	-1	0	290.363	3.180	20	30		CGEDRM
CC[C@H](CNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000900976207	620822878	/nfs/dbraw/zinc/82/28/78/620822878.db2.gz	JPUKXHDNKSKPKR-MRVPVSSYSA-N	-1	0	268.263	3.019	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825671197	600965049	/nfs/dbraw/zinc/96/50/49/600965049.db2.gz	FKRBEXYUWDFIRU-KGLIPLIRSA-N	-1	0	281.396	3.082	20	30		CGEDRM
Cc1oc(/C=C\C(=O)C2CCCCC2)cc1C(=O)[O-]	ZINC000899345827	620647072	/nfs/dbraw/zinc/64/70/72/620647072.db2.gz	VULBHDBLQQUGIW-FPLPWBNLSA-N	-1	0	262.305	3.449	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCc3cc(F)ccc3C2=O)o1	ZINC000833312203	601294594	/nfs/dbraw/zinc/29/45/94/601294594.db2.gz	MCWNYBMNEARKTE-CSKARUKUSA-N	-1	0	286.258	3.329	20	30		CGEDRM
Cc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F	ZINC000832897124	601304248	/nfs/dbraw/zinc/30/42/48/601304248.db2.gz	LKYOOVGTLYQSLZ-HNNXBMFYSA-N	-1	0	284.290	3.244	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832876002	601331672	/nfs/dbraw/zinc/33/16/72/601331672.db2.gz	ZXTBOCHFSGQLSE-GQCTYLIASA-N	-1	0	269.300	3.226	20	30		CGEDRM
Cc1cc(F)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1	ZINC000832888992	601332465	/nfs/dbraw/zinc/33/24/65/601332465.db2.gz	AQGDEJFMQRTTRA-QPJJXVBHSA-N	-1	0	273.263	3.057	20	30		CGEDRM
Cc1cc(F)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1	ZINC000832888988	601332584	/nfs/dbraw/zinc/33/25/84/601332584.db2.gz	AQGDEJFMQRTTRA-DAXSKMNVSA-N	-1	0	273.263	3.057	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1OCCCC(C)(C)C#N	ZINC000087596443	601343436	/nfs/dbraw/zinc/34/34/36/601343436.db2.gz	CZYCRBGPFSQWHL-UHFFFAOYSA-N	-1	0	277.320	3.102	20	30		CGEDRM
CCCCCCCCCNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000829356681	601802932	/nfs/dbraw/zinc/80/29/32/601802932.db2.gz	HCYVECCHNVDWCK-KBPBESRZSA-N	-1	0	298.427	3.099	20	30		CGEDRM
CCCCCCCC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000088362923	601818505	/nfs/dbraw/zinc/81/85/05/601818505.db2.gz	MAPQINFAHVIXLK-UHFFFAOYSA-N	-1	0	283.412	3.450	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000759653497	601850921	/nfs/dbraw/zinc/85/09/21/601850921.db2.gz	RMBRFOXNLYPFJR-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2c(Cl)cccc2Cl)c[nH]1	ZINC000814871796	601954932	/nfs/dbraw/zinc/95/49/32/601954932.db2.gz	JYDKELABBZVDFL-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
CC(C)(C#N)CCCNc1cccc(CC(=O)[O-])c1	ZINC000817791720	601965580	/nfs/dbraw/zinc/96/55/80/601965580.db2.gz	QIVBMAMYUGLEKY-UHFFFAOYSA-N	-1	0	260.337	3.056	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000776620593	602166822	/nfs/dbraw/zinc/16/68/22/602166822.db2.gz	QRNAMTHJSJRDTQ-HNNXBMFYSA-N	-1	0	287.359	3.039	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000825660048	602293230	/nfs/dbraw/zinc/29/32/30/602293230.db2.gz	OQPWSOSYBGTWRR-UHFFFAOYSA-N	-1	0	277.295	3.231	20	30		CGEDRM
N#Cc1ccc(F)cc1CSc1ncccc1C(=O)[O-]	ZINC000069401061	602312864	/nfs/dbraw/zinc/31/28/64/602312864.db2.gz	ZCSHTUIUZFADDJ-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1CC(=O)[O-]	ZINC000042162302	604468077	/nfs/dbraw/zinc/46/80/77/604468077.db2.gz	DOXLNXIYFDVDRB-LLVKDONJSA-N	-1	0	298.264	3.021	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1C)OCC	ZINC000833366930	604535426	/nfs/dbraw/zinc/53/54/26/604535426.db2.gz	FVOODULSYIRTLI-CQSZACIVSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C[C@@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000768366179	604536828	/nfs/dbraw/zinc/53/68/28/604536828.db2.gz	CNSQPIJBXHZVEL-GHMZBOCLSA-N	-1	0	261.325	3.004	20	30		CGEDRM
COc1ccc(C#N)cc1COc1ccc(NC(=O)[O-])cc1	ZINC000832152439	604806500	/nfs/dbraw/zinc/80/65/00/604806500.db2.gz	GMOPMLWFNRAEIZ-UHFFFAOYSA-N	-1	0	298.298	3.236	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000040547140	605128837	/nfs/dbraw/zinc/12/88/37/605128837.db2.gz	RIBSGEOWVNKYES-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1	ZINC000833371075	605168507	/nfs/dbraw/zinc/16/85/07/605168507.db2.gz	LLIHGFFPIJYYHJ-LBPRGKRZSA-N	-1	0	296.326	3.078	20	30		CGEDRM
N#Cc1csc(CNc2ccc3c(c2)CCN3C(=O)[O-])c1	ZINC000831162215	605250379	/nfs/dbraw/zinc/25/03/79/605250379.db2.gz	XURZFIZCQWEKQG-UHFFFAOYSA-N	-1	0	299.355	3.272	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000833362092	605581927	/nfs/dbraw/zinc/58/19/27/605581927.db2.gz	YXTWURUULXOTDV-UHFFFAOYSA-N	-1	0	273.332	3.215	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823481083	605589475	/nfs/dbraw/zinc/58/94/75/605589475.db2.gz	XTWBXIJOXALJOB-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
O=C([O-])N[C@@H]1CC(=NNc2ccccc2)c2ccccc21	ZINC000834156971	605739938	/nfs/dbraw/zinc/73/99/38/605739938.db2.gz	FGSAJDDTGBOTRR-CQSZACIVSA-N	-1	0	281.315	3.215	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1F	ZINC000781113997	605783284	/nfs/dbraw/zinc/78/32/84/605783284.db2.gz	JKJYXOBOYDYCLT-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
N#Cc1cccc(OCCOc2cccc(NC(=O)[O-])c2)c1	ZINC000833975921	605946719	/nfs/dbraw/zinc/94/67/19/605946719.db2.gz	HXFIGDCUMBKHTJ-UHFFFAOYSA-N	-1	0	298.298	3.106	20	30		CGEDRM
N#Cc1cccc(OCCOc2ccc(NC(=O)[O-])cc2)c1	ZINC000833976569	605946852	/nfs/dbraw/zinc/94/68/52/605946852.db2.gz	OUDSZMHJHHQYAE-UHFFFAOYSA-N	-1	0	298.298	3.106	20	30		CGEDRM
C=CC(C)(C)NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000899854205	620731932	/nfs/dbraw/zinc/73/19/32/620731932.db2.gz	GYUNHAHGGIBDSH-INIZCTEOSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCCCCCCNC(=O)c1cncc(O)c1	ZINC000811590772	617646867	/nfs/dbraw/zinc/64/68/67/617646867.db2.gz	JVFUYYWEXXISAQ-UHFFFAOYSA-N	-1	0	262.353	3.044	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cc(C#N)cs2)c([O-])c1	ZINC000255135734	617969891	/nfs/dbraw/zinc/96/98/91/617969891.db2.gz	ZCAVDLIDXIPLQI-HYXAFXHYSA-N	-1	0	285.324	3.230	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc3nccn32)c([O-])c1	ZINC000255138020	617971049	/nfs/dbraw/zinc/97/10/49/617971049.db2.gz	VYACNLDDKXTMMF-VURMDHGXSA-N	-1	0	278.311	3.244	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255368550	618239875	/nfs/dbraw/zinc/23/98/75/618239875.db2.gz	GSXZVENJCXMTKE-VURMDHGXSA-N	-1	0	299.282	3.205	20	30		CGEDRM
O=C(/C=C\c1cnn2ccccc12)c1ccc(F)cc1[O-]	ZINC000255514738	618639957	/nfs/dbraw/zinc/63/99/57/618639957.db2.gz	BVCBRQYPXQOZRE-DAXSKMNVSA-N	-1	0	282.274	3.075	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)s1	ZINC000255839722	618797907	/nfs/dbraw/zinc/79/79/07/618797907.db2.gz	XQHUMFJKICEQDS-IWQZZHSRSA-N	-1	0	291.278	3.500	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000255904741	618873910	/nfs/dbraw/zinc/87/39/10/618873910.db2.gz	KQEQJBIFTYXEHT-YWEYNIOJSA-N	-1	0	294.266	3.068	20	30		CGEDRM
COc1cccc(C=CC(=O)c2sccc2[O-])c1OC	ZINC000184516622	619053052	/nfs/dbraw/zinc/05/30/52/619053052.db2.gz	VVYAGVOGDLKIQA-VOTSOKGWSA-N	-1	0	290.340	3.367	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519815	619504433	/nfs/dbraw/zinc/50/44/33/619504433.db2.gz	HBQRPDNQHYIQFR-UHFFFAOYSA-N	-1	0	291.319	3.046	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)cc1C	ZINC000049135061	619701963	/nfs/dbraw/zinc/70/19/63/619701963.db2.gz	ARFDDHJPKZPMPH-GFCCVEGCSA-N	-1	0	295.404	3.385	20	30		CGEDRM
CSC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000800805424	620356881	/nfs/dbraw/zinc/35/68/81/620356881.db2.gz	OVWHOLQBPZKMAE-UHFFFAOYSA-N	-1	0	284.768	3.332	20	30		CGEDRM
O=C([O-])c1cc(C=NOCC(F)(F)F)sc1Cl	ZINC000901209351	620842741	/nfs/dbraw/zinc/84/27/41/620842741.db2.gz	WWYNOCAOVPUVKQ-UHFFFAOYSA-N	-1	0	287.646	3.013	20	30		CGEDRM
C[C@@H]1CC(=NNC2CCC(F)(F)CC2)CC[C@@H]1C(=O)[O-]	ZINC000901341042	620857639	/nfs/dbraw/zinc/85/76/39/620857639.db2.gz	TXVVNALZKAWWTP-SKDRFNHKSA-N	-1	0	288.338	3.031	20	30		CGEDRM
C#CCCCCCCNc1ccc(OCC(=O)[O-])cc1	ZINC000901716927	621006618	/nfs/dbraw/zinc/00/66/18/621006618.db2.gz	LFDUFMQCEPYBNG-UHFFFAOYSA-N	-1	0	275.348	3.146	20	30		CGEDRM
C=CC1(CC(=O)NCC(C)(C)CC(=O)[O-])CCCCC1	ZINC000907779557	622312708	/nfs/dbraw/zinc/31/27/08/622312708.db2.gz	QTQZNCSRKXIERD-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909832877	622428638	/nfs/dbraw/zinc/42/86/38/622428638.db2.gz	VUVYGJKSJHUPKH-NSHDSACASA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909832876	622429071	/nfs/dbraw/zinc/42/90/71/622429071.db2.gz	VUVYGJKSJHUPKH-LLVKDONJSA-N	-1	0	275.348	3.416	20	30		CGEDRM
Oc1ccc2ccccc2c1C=NO[C@@H]1CCCCO1	ZINC000755822231	625613502	/nfs/dbraw/zinc/61/35/02/625613502.db2.gz	GRPPQDDAJIZINP-MRXNPFEDSA-N	-1	0	271.316	3.423	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cn1	ZINC000171982028	623205725	/nfs/dbraw/zinc/20/57/25/623205725.db2.gz	NLUVLIXOLJQAEZ-HWKANZROSA-N	-1	0	274.295	3.205	20	30		CGEDRM
C[C@]1(C#N)CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000753588368	623438715	/nfs/dbraw/zinc/43/87/15/623438715.db2.gz	UYEIOYDHVOUECG-CQSZACIVSA-N	-1	0	282.746	3.310	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NOC1CCCCC1	ZINC000814909342	623532809	/nfs/dbraw/zinc/53/28/09/623532809.db2.gz	HUBCNXBCYWDYCJ-QWRGUYRKSA-N	-1	0	253.342	3.213	20	30		CGEDRM
C[C@@H]1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000914703470	623848355	/nfs/dbraw/zinc/84/83/55/623848355.db2.gz	RTWGCBRGPCZCGB-ITZWDYGHSA-N	-1	0	262.309	3.298	20	30		CGEDRM
CCC(N=Nc1ccncc1Cl)c1ccc(O)c(F)c1	ZINC000764697557	623933816	/nfs/dbraw/zinc/93/38/16/623933816.db2.gz	ZFNDCPMRWQTULD-UHFFFAOYSA-N	-1	0	293.729	3.228	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc(Cl)c2)cc1	ZINC000916269556	624133729	/nfs/dbraw/zinc/13/37/29/624133729.db2.gz	XVANPMOUGOOPNU-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000033376637	624306835	/nfs/dbraw/zinc/30/68/35/624306835.db2.gz	JIPHTRVDCNBHOR-HJWRWDBZSA-N	-1	0	269.256	3.197	20	30		CGEDRM
CC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000920106305	624448331	/nfs/dbraw/zinc/44/83/31/624448331.db2.gz	WJRWLEBHERXCER-CYBMUJFWSA-N	-1	0	280.327	3.334	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cscc1C	ZINC000175095664	624612450	/nfs/dbraw/zinc/61/24/50/624612450.db2.gz	FNTVGNVVURJLKX-GFCCVEGCSA-N	-1	0	292.404	3.076	20	30		CGEDRM
O=C1c2ccc(O)cc2C/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000187220750	626173469	/nfs/dbraw/zinc/17/34/69/626173469.db2.gz	QEHXOWXWWKYWDQ-XCVCLJGOSA-N	-1	0	288.249	3.198	20	30		CGEDRM
Cc1nn(C)cc1/C=C/C(=O)c1ccc2ccccc2c1[O-]	ZINC000121323849	626190085	/nfs/dbraw/zinc/19/00/85/626190085.db2.gz	USIBBJYCLODPTA-CSKARUKUSA-N	-1	0	292.338	3.483	20	30		CGEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000839403059	626345564	/nfs/dbraw/zinc/34/55/64/626345564.db2.gz	FHFULPPFAGBGTD-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(Cl)cc1	ZINC000751127761	626376848	/nfs/dbraw/zinc/37/68/48/626376848.db2.gz	UUDNXFDEZDYPLB-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
CN1CCc2cc(/C=C\C(=O)c3cc(F)ccc3[O-])ccc21	ZINC000751535911	626395174	/nfs/dbraw/zinc/39/51/74/626395174.db2.gz	QUCHJQXMTMFIMR-UTCJRWHESA-N	-1	0	297.329	3.420	20	30		CGEDRM
N#Cc1ccccc1/C=C/c1ncc(/C=C/C(=O)[O-])s1	ZINC000755601644	626631227	/nfs/dbraw/zinc/63/12/27/626631227.db2.gz	QAOACFXLXOFWLT-KQQUZDAGSA-N	-1	0	282.324	3.283	20	30		CGEDRM
CCCCC(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756899006	626739558	/nfs/dbraw/zinc/73/95/58/626739558.db2.gz	LGEVSMGDXNBKTC-UHFFFAOYSA-N	-1	0	264.325	3.371	20	30		CGEDRM
CC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756901337	626740369	/nfs/dbraw/zinc/74/03/69/626740369.db2.gz	OYUICQXCKVAHHW-SECBINFHSA-N	-1	0	264.325	3.227	20	30		CGEDRM
CN(C)c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1F	ZINC000757476689	626782479	/nfs/dbraw/zinc/78/24/79/626782479.db2.gz	YNQQDNNZJSPFFR-CSKARUKUSA-N	-1	0	285.318	3.493	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cs1	ZINC000759430953	626897335	/nfs/dbraw/zinc/89/73/35/626897335.db2.gz	XDXZBJUCPSMDTF-SNVBAGLBSA-N	-1	0	298.795	3.030	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CCSc2ccccc2)c1	ZINC000759712586	626916947	/nfs/dbraw/zinc/91/69/47/626916947.db2.gz	AVFAEKNZBQZGII-UHFFFAOYSA-N	-1	0	298.367	3.385	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CC23CCCC3)c1	ZINC000760989675	627007810	/nfs/dbraw/zinc/00/78/10/627007810.db2.gz	DVRMMQNURKKVBZ-GULXKOIASA-N	-1	0	260.293	3.052	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2cc3cc(F)ccc3o2)nc1	ZINC000763367413	627153757	/nfs/dbraw/zinc/15/37/57/627153757.db2.gz	DDESXOYSNURDPA-UHFFFAOYSA-N	-1	0	299.261	3.111	20	30		CGEDRM
CC(C)C1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763372309	627154748	/nfs/dbraw/zinc/15/47/48/627154748.db2.gz	WBZDMEGUWXXHBT-UHFFFAOYSA-N	-1	0	275.352	3.394	20	30		CGEDRM
C[C@@H](CCN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763377698	627154828	/nfs/dbraw/zinc/15/48/28/627154828.db2.gz	UWVDWIRYCHKJJB-LBPRGKRZSA-N	-1	0	283.331	3.371	20	30		CGEDRM
CCC(=NOCC(F)(F)F)c1ccc(C(=O)[O-])cc1	ZINC000764846296	627229396	/nfs/dbraw/zinc/22/93/96/627229396.db2.gz	GDGPXCWPEQOZJM-UHFFFAOYSA-N	-1	0	275.226	3.078	20	30		CGEDRM
CC(C)O[C@H]1CC(N=Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000764901759	627232575	/nfs/dbraw/zinc/23/25/75/627232575.db2.gz	WYOKSCBOYRAHMQ-AWEZNQCLSA-N	-1	0	290.363	3.376	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1C	ZINC000767384783	627404304	/nfs/dbraw/zinc/40/43/04/627404304.db2.gz	BPHQDOPELYSZQV-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NOCC(F)(F)F	ZINC000768365782	627476299	/nfs/dbraw/zinc/47/62/99/627476299.db2.gz	AFZYDHKPYBLTSR-UHFFFAOYSA-N	-1	0	271.597	3.098	20	30		CGEDRM
CC[C@H]1C[C@@H](C)CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000769589023	627567863	/nfs/dbraw/zinc/56/78/63/627567863.db2.gz	JEZANIDVLCWSGC-QWRGUYRKSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000772989330	627838374	/nfs/dbraw/zinc/83/83/74/627838374.db2.gz	FPWJMCCTBHHMGR-UHFFFAOYSA-N	-1	0	293.326	3.483	20	30		CGEDRM
O=C(/C=C\c1ccn(-c2ccccc2)n1)c1ccccc1[O-]	ZINC000773152052	627862749	/nfs/dbraw/zinc/86/27/49/627862749.db2.gz	DBXIFYXOULYANO-KHPPLWFESA-N	-1	0	290.322	3.474	20	30		CGEDRM
CC(C)N(CCC#N)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775654256	628120155	/nfs/dbraw/zinc/12/01/55/628120155.db2.gz	JWFRQZMERHVOAP-UHFFFAOYSA-N	-1	0	270.735	3.309	20	30		CGEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(Cl)c2[O-])C1	ZINC000775747010	628132700	/nfs/dbraw/zinc/13/27/00/628132700.db2.gz	GBLJPOHQJUDMRF-BONVTDFDSA-N	-1	0	292.766	3.248	20	30		CGEDRM
CC(=NOCc1ccccc1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776763542	628230720	/nfs/dbraw/zinc/23/07/20/628230720.db2.gz	IQEJCZAIKAXLDS-UHFFFAOYSA-N	-1	0	287.290	3.465	20	30		CGEDRM
Cc1ccc(F)cc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000777917817	628311108	/nfs/dbraw/zinc/31/11/08/628311108.db2.gz	FYDMLKHAPFYHAV-XVNBXDOJSA-N	-1	0	272.275	3.441	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccnc(Cl)c2)c1	ZINC000782207823	628624795	/nfs/dbraw/zinc/62/47/95/628624795.db2.gz	SBVJBYDVFMVTAJ-OWOJBTEDSA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000782347656	628641374	/nfs/dbraw/zinc/64/13/74/628641374.db2.gz	MBEQNELECODBDZ-GORDUTHDSA-N	-1	0	275.254	3.270	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccc(Cl)cc2F)nc1	ZINC000783522456	628721371	/nfs/dbraw/zinc/72/13/71/628721371.db2.gz	RNROPAVJDJRZLK-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2Cl)nc1	ZINC000783840253	628750626	/nfs/dbraw/zinc/75/06/26/628750626.db2.gz	ZCUBKSQHHFLXFP-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
Cc1nnc(N=NC2CCC3(CCCCC3)CC2)[n-]c1=O	ZINC000786038407	628909450	/nfs/dbraw/zinc/90/94/50/628909450.db2.gz	PCTJEYNYUDRXOR-UHFFFAOYSA-N	-1	0	289.383	3.178	20	30		CGEDRM
CC[C@H](NN=C(C)[C@@H]1C[C@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793054892	629405629	/nfs/dbraw/zinc/40/56/29/629405629.db2.gz	HVNMUEAPQWXRPX-OBJOEFQTSA-N	-1	0	294.782	3.272	20	30		CGEDRM
CC[C@@H](NN=Cc1ccccc1-c1ccccc1)C(=O)[O-]	ZINC000793056357	629406292	/nfs/dbraw/zinc/40/62/92/629406292.db2.gz	GFZWKCSIGBITTA-MRXNPFEDSA-N	-1	0	282.343	3.140	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2cccc(Cl)n2)cc1F	ZINC000793160552	629418787	/nfs/dbraw/zinc/41/87/87/629418787.db2.gz	BTQFZSPUHPUQJS-UHFFFAOYSA-N	-1	0	283.665	3.165	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCCCO1	ZINC000863064913	629466464	/nfs/dbraw/zinc/46/64/64/629466464.db2.gz	CNWBGLHVNHNWPX-CYBMUJFWSA-N	-1	0	296.754	3.395	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(C(F)(F)F)CC2)c1	ZINC000794675559	629564892	/nfs/dbraw/zinc/56/48/92/629564892.db2.gz	DKXKVIOUHKOIHM-OMCISZLKSA-N	-1	0	288.225	3.062	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cn(C3CC3)cn2)c([O-])c1	ZINC000865219969	630027919	/nfs/dbraw/zinc/02/79/19/630027919.db2.gz	AXXAJFBWZTVCHM-XVNBXDOJSA-N	-1	0	268.316	3.128	20	30		CGEDRM
COc1ccccc1CON=Cc1cc(C(=O)[O-])cs1	ZINC000799117277	630145561	/nfs/dbraw/zinc/14/55/61/630145561.db2.gz	IGSDZISWPCNVRG-UHFFFAOYSA-N	-1	0	291.328	3.006	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000799498536	630192577	/nfs/dbraw/zinc/19/25/77/630192577.db2.gz	AIQBEQJDPJOPKR-AATRIKPKSA-N	-1	0	283.308	3.214	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC(F)(F)C2)c1	ZINC000800524101	630290843	/nfs/dbraw/zinc/29/08/43/630290843.db2.gz	ALUPTAAQUYGEBO-SNVBAGLBSA-N	-1	0	280.274	3.028	20	30		CGEDRM
C[C@@H](C=Nn1c(=O)c2ccccc2[n-]c1=S)C(C)(C)C	ZINC000800809878	630300801	/nfs/dbraw/zinc/30/08/01/630300801.db2.gz	YHZKLZZXXRSCMN-JTQLQIEISA-N	-1	0	289.404	3.201	20	30		CGEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1	ZINC000810533673	630886624	/nfs/dbraw/zinc/88/66/24/630886624.db2.gz	SETKRXWKLBFLAE-INIZCTEOSA-N	-1	0	298.386	3.191	20	30		CGEDRM
CCC(=NOC/C=C\Cl)c1ccc(C(=O)[O-])cc1	ZINC000811670425	631108349	/nfs/dbraw/zinc/10/83/49/631108349.db2.gz	RTVBTWYWWBGRBL-XXWJIRBXSA-N	-1	0	267.712	3.268	20	30		CGEDRM
COc1ccccc1C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000812443275	631261627	/nfs/dbraw/zinc/26/16/27/631261627.db2.gz	PQSLALPLMRGPFY-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)cc2F)CC[C@H]1CC(=O)[O-]	ZINC000814686744	631623283	/nfs/dbraw/zinc/62/32/83/631623283.db2.gz	YMBIUKMLAKBOPT-BDAKNGLRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
CCOC1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000814690045	631623623	/nfs/dbraw/zinc/62/36/23/631623623.db2.gz	RFVWFHKNAZKXQR-UHFFFAOYSA-N	-1	0	282.727	3.005	20	30		CGEDRM
COc1cccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)c1	ZINC000814776717	631636540	/nfs/dbraw/zinc/63/65/40/631636540.db2.gz	ATGUVAJPCDDCGV-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cc(F)cc(F)c2)c1	ZINC000814812821	631647447	/nfs/dbraw/zinc/64/74/47/631647447.db2.gz	ADRFWECSTYAEOB-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
C[C@@H]1C(=NNC2CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814832383	631651217	/nfs/dbraw/zinc/65/12/17/631651217.db2.gz	DDIXSYIUFZYAPZ-PWSUYJOCSA-N	-1	0	266.385	3.032	20	30		CGEDRM
C[C@@H]1C(N=Nc2c(F)cccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814853048	631655987	/nfs/dbraw/zinc/65/59/87/631655987.db2.gz	ZLFWQZZNRRLKDD-IUCAKERBSA-N	-1	0	282.290	3.254	20	30		CGEDRM
COc1ccc(N=NC(C)CCCCCCC(=O)[O-])nc1	ZINC000814908713	631676675	/nfs/dbraw/zinc/67/66/75/631676675.db2.gz	BLBWEJCMVIYPSR-UHFFFAOYSA-N	-1	0	293.367	3.303	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NNC[C@@H]1CCSC1	ZINC000814935702	631689865	/nfs/dbraw/zinc/68/98/65/631689865.db2.gz	QFDHDMVSJZNJSQ-ZDUSSCGKSA-N	-1	0	286.441	3.130	20	30		CGEDRM
CC(=NOC/C=C/Cl)[C@@H](C)CCCCC(=O)[O-]	ZINC000814934650	631689976	/nfs/dbraw/zinc/68/99/76/631689976.db2.gz	XPTFHSNUMADTDA-DNQHLGMQSA-N	-1	0	261.749	3.413	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCC1(C)CCCC1	ZINC000814937378	631691857	/nfs/dbraw/zinc/69/18/57/631691857.db2.gz	DSYLTOJEXMWREB-NEPJUHHUSA-N	-1	0	266.385	3.033	20	30		CGEDRM
CC(=NNc1ccccc1F)c1ccc(C(=O)[O-])cc1	ZINC000825809565	633382661	/nfs/dbraw/zinc/38/26/61/633382661.db2.gz	ZTRWXJYYLCSORG-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000826602760	633421210	/nfs/dbraw/zinc/42/12/10/633421210.db2.gz	APDCNUWGZJDQEU-RYUDHWBXSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](c1cccnc1)C1CCCCC1	ZINC000869282886	633424937	/nfs/dbraw/zinc/42/49/37/633424937.db2.gz	USMKFEWRLXAPEK-INIZCTEOSA-N	-1	0	288.391	3.369	20	30		CGEDRM
C=CCC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCC1	ZINC000828158080	633576252	/nfs/dbraw/zinc/57/62/52/633576252.db2.gz	BUCQERRBFKEMGB-UHFFFAOYSA-N	-1	0	287.359	3.389	20	30		CGEDRM
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692219	633627508	/nfs/dbraw/zinc/62/75/08/633627508.db2.gz	YRUPTWMGQDOGCB-KGLIPLIRSA-N	-1	0	298.367	3.142	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C2[C@@H]3CCCCCC[C@@H]23)c1	ZINC000870691359	633627914	/nfs/dbraw/zinc/62/79/14/633627914.db2.gz	OOUNZBCQFNWKPI-HUUCEWRRSA-N	-1	0	284.359	3.185	20	30		CGEDRM
CC(C)CC1(C(=O)[N-]Oc2cccc(C#N)c2)CCC1	ZINC000870691153	633628131	/nfs/dbraw/zinc/62/81/31/633628131.db2.gz	FKNTWHRKEZCJBB-UHFFFAOYSA-N	-1	0	272.348	3.185	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)nc(Cl)c2)n1	ZINC000123672504	633791118	/nfs/dbraw/zinc/79/11/18/633791118.db2.gz	ARPYZQYBTDEJGL-JTQLQIEISA-N	-1	0	291.763	3.298	20	30		CGEDRM
CCCCc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1C	ZINC000871955182	633925847	/nfs/dbraw/zinc/92/58/47/633925847.db2.gz	RZRQPWQWBOXGJV-VIFPVBQESA-N	-1	0	290.754	3.136	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1C	ZINC000832910786	634103993	/nfs/dbraw/zinc/10/39/93/634103993.db2.gz	FUIXCTMRDYYXHY-SOFGYWHQSA-N	-1	0	269.300	3.226	20	30		CGEDRM
CC[C@@](C)(CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834916210	634287153	/nfs/dbraw/zinc/28/71/53/634287153.db2.gz	VLBGGIAUFLZRCG-ZDUSSCGKSA-N	-1	0	284.743	3.251	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H]1CCCC[C@@H]1C	ZINC000834966239	634297064	/nfs/dbraw/zinc/29/70/64/634297064.db2.gz	FNZRYSDMGDEFQZ-GWCFXTLKSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(C)CCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008966	634313229	/nfs/dbraw/zinc/31/32/29/634313229.db2.gz	LOQFMGBTTCOPOA-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CC(C)(CCC#N)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009915	634314596	/nfs/dbraw/zinc/31/45/96/634314596.db2.gz	HVGAJKYWNHRUKC-UHFFFAOYSA-N	-1	0	277.299	3.252	20	30		CGEDRM
CC[C@H]1C[C@H](CN=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835011237	634315160	/nfs/dbraw/zinc/31/51/60/634315160.db2.gz	DAECCQZZBFEZLP-PWSUYJOCSA-N	-1	0	294.326	3.127	20	30		CGEDRM
O=C([O-])c1ccc(N=NCC2CCCC2)c(F)c1	ZINC000835011631	634316072	/nfs/dbraw/zinc/31/60/72/634316072.db2.gz	HYOZKRYOJLGOOK-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC1(C)C	ZINC000125928072	634831245	/nfs/dbraw/zinc/83/12/45/634831245.db2.gz	NEBZFYNNBSCCMG-QWHCGFSZSA-N	-1	0	294.354	3.414	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000840984569	635100047	/nfs/dbraw/zinc/10/00/47/635100047.db2.gz	GLLUPNSFLPUYQP-KBPBESRZSA-N	-1	0	298.427	3.099	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1C[C@H]1C	ZINC000841640326	635206538	/nfs/dbraw/zinc/20/65/38/635206538.db2.gz	FBCHONNNRBTQPQ-LDYMZIIASA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC(C)CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccncc1	ZINC000842530714	635392327	/nfs/dbraw/zinc/39/23/27/635392327.db2.gz	QUSFDQOMJBGHKO-UHFFFAOYSA-N	-1	0	298.346	3.037	20	30		CGEDRM
CCCON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000842551044	635401885	/nfs/dbraw/zinc/40/18/85/635401885.db2.gz	NFRDIJVPNKVOKY-UHFFFAOYSA-N	-1	0	281.739	3.239	20	30		CGEDRM
C=C(C)CON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000844620538	635943425	/nfs/dbraw/zinc/94/34/25/635943425.db2.gz	XJMMRIIPCRMDKP-MNOVXSKESA-N	-1	0	253.342	3.092	20	30		CGEDRM
C=C(C)CON=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000844620135	635943534	/nfs/dbraw/zinc/94/35/34/635943534.db2.gz	QPURPLLBUFOBLU-UHFFFAOYSA-N	-1	0	291.347	3.247	20	30		CGEDRM
CC[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)CCO1	ZINC000844623263	635944955	/nfs/dbraw/zinc/94/49/55/635944955.db2.gz	IHRADKNSYBLRGX-GFCCVEGCSA-N	-1	0	276.336	3.050	20	30		CGEDRM
CO[C@@H](CN=Nc1cccc(C(=O)[O-])c1C)CC(C)C	ZINC000844624292	635945702	/nfs/dbraw/zinc/94/57/02/635945702.db2.gz	VPQHYPAVPSAUAE-GFCCVEGCSA-N	-1	0	278.352	3.152	20	30		CGEDRM
CO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)C12CCC2	ZINC000844624740	635946453	/nfs/dbraw/zinc/94/64/53/635946453.db2.gz	ZQKJFFUBXLAPTN-AWEZNQCLSA-N	-1	0	288.347	3.050	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845842287	636106193	/nfs/dbraw/zinc/10/61/93/636106193.db2.gz	SZMQHTHEWFHWHK-AWEZNQCLSA-N	-1	0	293.322	3.211	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)c1ccc(Cl)s1	ZINC000846536790	636195332	/nfs/dbraw/zinc/19/53/32/636195332.db2.gz	AIUHFLCAVSTOLR-QMMMGPOBSA-N	-1	0	259.758	3.129	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc(CC)cc1	ZINC000846547537	636199232	/nfs/dbraw/zinc/19/92/32/636199232.db2.gz	OXMCLWOVQZBFJF-GFCCVEGCSA-N	-1	0	261.365	3.149	20	30		CGEDRM
CCCCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000129403673	636244074	/nfs/dbraw/zinc/24/40/74/636244074.db2.gz	WQVCOJXXSOUHDV-AWEZNQCLSA-N	-1	0	298.427	3.243	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2F)s1	ZINC000213229092	636439729	/nfs/dbraw/zinc/43/97/29/636439729.db2.gz	XEVMRLUNFIPCSF-WAYWQWQTSA-N	-1	0	276.288	3.482	20	30		CGEDRM
CC(C)[C@@H]1CCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413989	636570324	/nfs/dbraw/zinc/57/03/24/636570324.db2.gz	HAIBVLXDBLJLQS-ZDUSSCGKSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)C1CCSCC1	ZINC000848414032	636570520	/nfs/dbraw/zinc/57/05/20/636570520.db2.gz	HWVIHBHLYOHWNQ-UHFFFAOYSA-N	-1	0	292.404	3.245	20	30		CGEDRM
CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1(C)C	ZINC000086055936	636780962	/nfs/dbraw/zinc/78/09/62/636780962.db2.gz	WIEKWOKRSGPNCY-CHWSQXEVSA-N	-1	0	299.436	3.454	20	30		CGEDRM
CCC[C@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055285	636781825	/nfs/dbraw/zinc/78/18/25/636781825.db2.gz	NAWPFFDZEHDORM-JTQLQIEISA-N	-1	0	261.387	3.042	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(O)cc2)c([O-])c1	ZINC000028537525	636815511	/nfs/dbraw/zinc/81/55/11/636815511.db2.gz	MOESXQFGHNEYAH-WTKPLQERSA-N	-1	0	270.284	3.003	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccc(F)c2)c([O-])c1	ZINC000029055207	636870207	/nfs/dbraw/zinc/87/02/07/636870207.db2.gz	IFNNCAAKVAHMIM-VMPITWQZSA-N	-1	0	272.275	3.436	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccsc2)s1	ZINC000007333329	636997157	/nfs/dbraw/zinc/99/71/57/636997157.db2.gz	RLHUOVVMHVFNFT-OWOJBTEDSA-N	-1	0	264.327	3.404	20	30		CGEDRM
C=CCCC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1	ZINC000887314931	637794255	/nfs/dbraw/zinc/79/42/55/637794255.db2.gz	IPKQXFPATATCRG-AWEZNQCLSA-N	-1	0	275.348	3.065	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](c1ccc(F)cc1)C(C)C	ZINC000856034357	638289890	/nfs/dbraw/zinc/28/98/90/638289890.db2.gz	LTHAKCVKVSZTBK-CQSZACIVSA-N	-1	0	265.328	3.189	20	30		CGEDRM
N#CC(C(=O)C12CC(C1)C2)=C([O-])c1cc2c(s1)CCCC2	ZINC000860852992	639443918	/nfs/dbraw/zinc/44/39/18/639443918.db2.gz	CSWGXTOCZSISOP-FBWYHRDQSA-N	-1	0	299.395	3.319	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2s1	ZINC000042343713	639916975	/nfs/dbraw/zinc/91/69/75/639916975.db2.gz	OFULZBWAJLLOAC-UHFFFAOYSA-N	-1	0	297.401	3.336	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)s1	ZINC000049135139	640084024	/nfs/dbraw/zinc/08/40/24/640084024.db2.gz	YEIYTQGURJOIIV-QMMMGPOBSA-N	-1	0	287.406	3.138	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1	ZINC000076762637	640214749	/nfs/dbraw/zinc/21/47/49/640214749.db2.gz	RYXOJCHJMGUKJQ-UHFFFAOYSA-N	-1	0	295.404	3.475	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1	ZINC000077881624	640266117	/nfs/dbraw/zinc/26/61/17/640266117.db2.gz	DYTSYWYAOFELFJ-CHWSQXEVSA-N	-1	0	293.388	3.390	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1Cl	ZINC000080298958	640464885	/nfs/dbraw/zinc/46/48/85/640464885.db2.gz	KNLIHPNJRIUUDU-UHFFFAOYSA-N	-1	0	299.779	3.260	20	30		CGEDRM
CCCCCCCCCn1nc(SC)[n-]c1=O	ZINC000194577328	640541349	/nfs/dbraw/zinc/54/13/49/640541349.db2.gz	XIBAJNGPSXZYPM-UHFFFAOYSA-N	-1	0	257.403	3.044	20	30		CGEDRM
O=C(/C=C/c1ccc(F)cc1)c1ccc(O)cc1[O-]	ZINC000082149674	640563714	/nfs/dbraw/zinc/56/37/14/640563714.db2.gz	PEOUABQULHQJDZ-FPYGCLRLSA-N	-1	0	258.248	3.133	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1	ZINC000091127200	640704632	/nfs/dbraw/zinc/70/46/32/640704632.db2.gz	HRSWCBKBNOVEHV-NSHDSACASA-N	-1	0	299.392	3.165	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccccc2F)c1	ZINC000254846976	640916100	/nfs/dbraw/zinc/91/61/00/640916100.db2.gz	SZXKPAPTOGVZQQ-UHFFFAOYSA-N	-1	0	260.224	3.190	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001250586864	805710203	/nfs/dbraw/zinc/71/02/03/805710203.db2.gz	WTVUNJSXJJGPJV-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1ccc(F)c(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001250631545	805738356	/nfs/dbraw/zinc/73/83/56/805738356.db2.gz	DIMOUAXXWILSCS-FNORWQNLSA-N	-1	0	267.259	3.462	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(C#N)ccc1F	ZINC001250633745	805739397	/nfs/dbraw/zinc/73/93/97/805739397.db2.gz	FDPWGCUFAGONAW-UHFFFAOYSA-N	-1	0	285.274	3.461	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(F)c(C#N)c1	ZINC001250635926	805740914	/nfs/dbraw/zinc/74/09/14/805740914.db2.gz	LWJVEEXPOBQLEF-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#Cc1cc(-c2ccc(CCC(=O)[O-])cc2)ccc1F	ZINC001250636479	805742365	/nfs/dbraw/zinc/74/23/65/805742365.db2.gz	ALJDMHURLCJGJT-UHFFFAOYSA-N	-1	0	269.275	3.382	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2O)ccc1C(=O)[O-]	ZINC001211660902	814928615	/nfs/dbraw/zinc/92/86/15/814928615.db2.gz	RLBYZNBWKILXCB-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
O=C(CCc1nnc(-c2cccc(F)c2)o1)C1=CC=C[CH]1	ZINC001254175098	806357993	/nfs/dbraw/zinc/35/79/93/806357993.db2.gz	RYZCOMSOELHIJP-UHFFFAOYSA-N	-1	0	283.282	3.078	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000046930002	798891740	/nfs/dbraw/zinc/89/17/40/798891740.db2.gz	MDPYIPWPOSIZFN-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC000082716234	798938082	/nfs/dbraw/zinc/93/80/82/798938082.db2.gz	ABIUNIXOXKGJCL-UHFFFAOYSA-N	-1	0	266.300	3.123	20	30		CGEDRM
C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176404983	799096352	/nfs/dbraw/zinc/09/63/52/799096352.db2.gz	GARLLONWYLRDER-NSHDSACASA-N	-1	0	298.317	3.220	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000316430728	799240616	/nfs/dbraw/zinc/24/06/16/799240616.db2.gz	JHQKALTVENIWNL-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000396494509	799508267	/nfs/dbraw/zinc/50/82/67/799508267.db2.gz	LUCPYZSMNQLQGG-GFCCVEGCSA-N	-1	0	273.332	3.007	20	30		CGEDRM
CCCCCCCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000398929231	799533288	/nfs/dbraw/zinc/53/32/88/799533288.db2.gz	OAJWVTZWUATJBJ-KBPBESRZSA-N	-1	0	298.427	3.099	20	30		CGEDRM
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1sccc1[O-]	ZINC000588495740	799701422	/nfs/dbraw/zinc/70/14/22/799701422.db2.gz	IBGLYHVZMOWOFV-UTCJRWHESA-N	-1	0	275.285	3.258	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccncc2)c1Cl	ZINC000588558330	799711706	/nfs/dbraw/zinc/71/17/06/799711706.db2.gz	KQSXEQSASUQGRO-PLNGDYQASA-N	-1	0	287.702	3.329	20	30		CGEDRM
C=CCOC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000701181311	799884887	/nfs/dbraw/zinc/88/48/87/799884887.db2.gz	UCOGFYGFLAZOTM-UHFFFAOYSA-N	-1	0	262.092	3.434	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000710539519	800035589	/nfs/dbraw/zinc/03/55/89/800035589.db2.gz	USTPFONFIQGAHP-KGLIPLIRSA-N	-1	0	283.412	3.306	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cccs2)ccc1O	ZINC000809152230	800413116	/nfs/dbraw/zinc/41/31/16/800413116.db2.gz	OQUGEIZTAQEHOT-XQRVVYSFSA-N	-1	0	274.297	3.048	20	30		CGEDRM
C=CC[C@@H](NC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC001120003105	802722765	/nfs/dbraw/zinc/72/27/65/802722765.db2.gz	FUOKSJFEGYFSGI-LLVKDONJSA-N	-1	0	296.754	3.108	20	30		CGEDRM
C=CC[C@H](NC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC001120003108	802723333	/nfs/dbraw/zinc/72/33/33/802723333.db2.gz	FUOKSJFEGYFSGI-NSHDSACASA-N	-1	0	296.754	3.108	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cccc(CC#N)c2)c1	ZINC001244177232	803226867	/nfs/dbraw/zinc/22/68/67/803226867.db2.gz	XVJVVLNARCYGCH-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#CCc1cc(-c2ccc(CCC(=O)[O-])cc2)ccc1C#N	ZINC001244189430	803234425	/nfs/dbraw/zinc/23/44/25/803234425.db2.gz	KUDFPNQTYYWUGU-UHFFFAOYSA-N	-1	0	290.322	3.309	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2cc(F)c(CO)c(F)c2)cc1F	ZINC001244340273	803314036	/nfs/dbraw/zinc/31/40/36/803314036.db2.gz	BYUOVSJEYZUATM-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1nc(C#N)ccc1C	ZINC001244417879	803360485	/nfs/dbraw/zinc/36/04/85/803360485.db2.gz	FVNBLCYXMMVBJC-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
N#CCc1cc(-c2cc(F)c([O-])c(Cl)c2)ccn1	ZINC001244502268	803409312	/nfs/dbraw/zinc/40/93/12/803409312.db2.gz	JTWXNEPVIQUDFO-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1cc(F)c(C#N)cc1NC(=O)c1cccc(F)c1[O-]	ZINC001133356335	803470733	/nfs/dbraw/zinc/47/07/33/803470733.db2.gz	YLJNZXSTSUZHPM-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1ccc(Cl)c([O-])c1F	ZINC001244629560	803472852	/nfs/dbraw/zinc/47/28/52/803472852.db2.gz	BVRCBHRIQNNCEW-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1cnc(-c2ccc(Cl)c([O-])c2F)c(/C=N/O)c1	ZINC001244631212	803474208	/nfs/dbraw/zinc/47/42/08/803474208.db2.gz	RTGSSCCSMUTUCX-UBKPWBPPSA-N	-1	0	280.686	3.363	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cc(C)c(C(=O)[O-])c(C)c2)n1	ZINC001244945521	803586078	/nfs/dbraw/zinc/58/60/78/803586078.db2.gz	VKLADPJFKHUPAR-UHFFFAOYSA-N	-1	0	298.342	3.332	20	30		CGEDRM
N#Cc1cnc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1	ZINC001245000733	803608974	/nfs/dbraw/zinc/60/89/74/803608974.db2.gz	ROQJOKMWGPUAKJ-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cc(CC(=O)[O-])ccc2F)cn1	ZINC001245318961	803699852	/nfs/dbraw/zinc/69/98/52/803699852.db2.gz	UJTMFSGRTUDHRO-UHFFFAOYSA-N	-1	0	298.317	3.316	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])cc2Cl)n1	ZINC001245370208	803716820	/nfs/dbraw/zinc/71/68/20/803716820.db2.gz	DXTXUZXJOJUAIF-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])cc2Cl)c1F	ZINC001245373084	803717734	/nfs/dbraw/zinc/71/77/34/803717734.db2.gz	SLHTXYCHRSGGDN-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ccc(-c2nc[n-]c3nc(=S)sc2-3)cc1	ZINC001245495231	803766118	/nfs/dbraw/zinc/76/61/18/803766118.db2.gz	GGXLCJMAUINRFF-UHFFFAOYSA-N	-1	0	270.342	3.239	20	30		CGEDRM
Cc1ccccc1[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001137934200	803801533	/nfs/dbraw/zinc/80/15/33/803801533.db2.gz	MTUPCLAYASKJHP-LBPRGKRZSA-N	-1	0	280.327	3.315	20	30		CGEDRM
Cc1c(=O)[n-]n(-c2ccccc2)c1NC1CCC(C#N)CC1	ZINC001256963967	807017928	/nfs/dbraw/zinc/01/79/28/807017928.db2.gz	SNIIBUINBQYUSZ-UHFFFAOYSA-N	-1	0	296.374	3.381	20	30		CGEDRM
N#Cc1ccccc1Cc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001250047421	805387236	/nfs/dbraw/zinc/38/72/36/805387236.db2.gz	KSFCURVHYYPJOW-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc3ccncc3c2)ccc1O	ZINC001154599001	805466156	/nfs/dbraw/zinc/46/61/56/805466156.db2.gz	WCTDRIFZRUROFT-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C	ZINC001263138270	807935383	/nfs/dbraw/zinc/93/53/83/807935383.db2.gz	IJRNHXMFVLOLEZ-GFCCVEGCSA-N	-1	0	293.326	3.273	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cccc(C#N)c1	ZINC001174676763	809126987	/nfs/dbraw/zinc/12/69/87/809126987.db2.gz	HABIJNJDQDJIQJ-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1cc(Nc2cccc(C#N)c2F)ccc1C(=O)[O-]	ZINC001174685315	809129980	/nfs/dbraw/zinc/12/99/80/809129980.db2.gz	QISSJVQXVFAELR-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cccc(Nc2ccc(C(=O)[O-])s2)c1C#N	ZINC001174807528	809167592	/nfs/dbraw/zinc/16/75/92/809167592.db2.gz	LXPYCCHAAFKUGC-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)c(F)c1F	ZINC001174807768	809167643	/nfs/dbraw/zinc/16/76/43/809167643.db2.gz	OQMBZHGKTMIFAK-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174952198	809212563	/nfs/dbraw/zinc/21/25/63/809212563.db2.gz	NOHHBPNPIZHPST-UHFFFAOYSA-N	-1	0	251.285	3.039	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1csc(C#N)c1	ZINC001174982566	809225858	/nfs/dbraw/zinc/22/58/58/809225858.db2.gz	SLGYPUVILTZMNA-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(F)ccc(F)c1F	ZINC001175024963	809244404	/nfs/dbraw/zinc/24/44/04/809244404.db2.gz	DLRFPHHJZSAAQO-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175154941	809290795	/nfs/dbraw/zinc/29/07/95/809290795.db2.gz	ZNMFPIYZQREZPD-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175162412	809294507	/nfs/dbraw/zinc/29/45/07/809294507.db2.gz	YXOFMYYGGJIWMS-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2)s1	ZINC001175329189	809357388	/nfs/dbraw/zinc/35/73/88/809357388.db2.gz	SMLOVTHTLTZTKI-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl	ZINC001300096157	809560736	/nfs/dbraw/zinc/56/07/36/809560736.db2.gz	UCTQZNAWTDQNMZ-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
N#Cc1cc2cccnc2nc1Nc1csc(C(=O)[O-])c1	ZINC001176435488	809695615	/nfs/dbraw/zinc/69/56/15/809695615.db2.gz	DMTJNCPMCXEUJD-UHFFFAOYSA-N	-1	0	296.311	3.005	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2csc(C(=O)[O-])c2)c1	ZINC001176437667	809697730	/nfs/dbraw/zinc/69/77/30/809697730.db2.gz	WJAZWKMVFVGXBM-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176589424	809724526	/nfs/dbraw/zinc/72/45/26/809724526.db2.gz	KZAAXHYMDDIFMT-ZZXKWVIFSA-N	-1	0	270.313	3.461	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(C2CCC2)nc1	ZINC001184241602	810185069	/nfs/dbraw/zinc/18/50/69/810185069.db2.gz	WJSRFMQXRZCGBP-UHFFFAOYSA-N	-1	0	295.362	3.337	20	30		CGEDRM
C[C@H](C#N)c1ccc(NC(=O)CCC(=O)C2=CC=C[CH]2)cc1	ZINC001184245282	810185250	/nfs/dbraw/zinc/18/52/50/810185250.db2.gz	NTZLQFBQFQWWKJ-CYBMUJFWSA-N	-1	0	293.346	3.302	20	30		CGEDRM
Cc1ccc(CN(C)C(=O)CCC(=O)C2=CC=C[CH]2)cc1C	ZINC001184244350	810185479	/nfs/dbraw/zinc/18/54/79/810185479.db2.gz	UEFHJEUKWYVTPL-UHFFFAOYSA-N	-1	0	296.390	3.312	20	30		CGEDRM
C[C@@H](NC(=O)Nc1cc(C#N)c(F)cc1[O-])c1ccccc1	ZINC001185021387	810229448	/nfs/dbraw/zinc/22/94/48/810229448.db2.gz	GNWGUYBEMYYQNB-SNVBAGLBSA-N	-1	0	299.305	3.286	20	30		CGEDRM
CC(C)C[C@](C)(C#N)NC(=O)c1cccc([S-])c1	ZINC001186167641	810318248	/nfs/dbraw/zinc/31/82/48/810318248.db2.gz	ZCRKVBDTUUYRKK-CQSZACIVSA-N	-1	0	262.378	3.033	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2ccccc2[S-])c1F	ZINC001190545166	810634616	/nfs/dbraw/zinc/63/46/16/810634616.db2.gz	KOSQVOFIWUVGOX-UHFFFAOYSA-N	-1	0	272.304	3.238	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)CC1	ZINC001190806431	810649558	/nfs/dbraw/zinc/64/95/58/810649558.db2.gz	AAXYGRJAZZFGQP-UHFFFAOYSA-N	-1	0	296.779	3.062	20	30		CGEDRM
CSc1ccc(C(=O)Nc2ccc(C#N)cc2O)s1	ZINC001192646908	810813634	/nfs/dbraw/zinc/81/36/34/810813634.db2.gz	MZXIJVZMKGJEFB-UHFFFAOYSA-N	-1	0	290.369	3.300	20	30		CGEDRM
Cc1cc(C#N)c(NC(=O)c2ccc(F)c(F)c2[O-])s1	ZINC001192783804	810819378	/nfs/dbraw/zinc/81/93/78/810819378.db2.gz	BHYCERSURJYRBU-UHFFFAOYSA-N	-1	0	294.282	3.164	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)N[C@@H]2CCc3ccccc32)c1	ZINC001192995137	810840962	/nfs/dbraw/zinc/84/09/62/810840962.db2.gz	GFNBUKWVDUUIJB-CQSZACIVSA-N	-1	0	293.326	3.073	20	30		CGEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1SC(C)(C)C	ZINC001193158295	810860452	/nfs/dbraw/zinc/86/04/52/810860452.db2.gz	NJPATAYGESPBJL-JTQLQIEISA-N	-1	0	298.433	3.231	20	30		CGEDRM
N#Cc1c([O-])csc1NC(=O)Oc1ccc(F)cc1	ZINC001195005447	811182640	/nfs/dbraw/zinc/18/26/40/811182640.db2.gz	RFCJWRCGSBCPMT-UHFFFAOYSA-N	-1	0	278.264	3.075	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Oc2ccc(F)cc2)c1	ZINC001195036424	811189116	/nfs/dbraw/zinc/18/91/16/811189116.db2.gz	SGKLILHWKNHENK-UHFFFAOYSA-N	-1	0	272.235	3.014	20	30		CGEDRM
Cc1noc(Nc2cc(C(=O)[O-])c(Cl)cc2F)c1C#N	ZINC001214736398	815447630	/nfs/dbraw/zinc/44/76/30/815447630.db2.gz	VFMPGFAUIGVLMC-UHFFFAOYSA-N	-1	0	295.657	3.089	20	30		CGEDRM
N#Cc1cc(NC(=S)Nc2ccccc2)c([O-])cc1F	ZINC001200839590	811753144	/nfs/dbraw/zinc/75/31/44/811753144.db2.gz	FMJZRWQVVBXGOZ-UHFFFAOYSA-N	-1	0	287.319	3.212	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201222848	811799389	/nfs/dbraw/zinc/79/93/89/811799389.db2.gz	UBHODTPYCXGJAB-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
Cc1ccccc1NC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001202187506	812034626	/nfs/dbraw/zinc/03/46/26/812034626.db2.gz	VQKJELOGSVQYJI-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215268147	815500990	/nfs/dbraw/zinc/50/09/90/815500990.db2.gz	OTBLFDVIOKXJLH-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2ccc(F)c(F)c2[O-])c1	ZINC001202791244	812175450	/nfs/dbraw/zinc/17/54/50/812175450.db2.gz	VFUYPEUMSBOEJM-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292529	812296006	/nfs/dbraw/zinc/29/60/06/812296006.db2.gz	PRAYTDDWISFGIU-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)s1	ZINC001203322968	812312071	/nfs/dbraw/zinc/31/20/71/812312071.db2.gz	NNHRTWDIAAWKCS-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1ccc(F)c(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1	ZINC001204644413	812698695	/nfs/dbraw/zinc/69/86/95/812698695.db2.gz	TWTZIVFLERHXPO-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
N#Cc1cnccc1-c1ccc(O)cc1C(F)(F)F	ZINC001205092342	812859890	/nfs/dbraw/zinc/85/98/90/812859890.db2.gz	BXEBWEHPFNTJMN-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccsc1C(=O)[O-])CCCC2	ZINC001205547546	813002037	/nfs/dbraw/zinc/00/20/37/813002037.db2.gz	LXQGIKJWDVUKKM-UHFFFAOYSA-N	-1	0	284.340	3.259	20	30		CGEDRM
C#C[C@@H](CCCCC)OCc1ccc(C(=O)[O-])cc1	ZINC001205681048	813051047	/nfs/dbraw/zinc/05/10/47/813051047.db2.gz	PWIYUUGZLHRTBK-HNNXBMFYSA-N	-1	0	260.333	3.484	20	30		CGEDRM
N#Cc1ccc(-c2csc(C(=O)[O-])c2)nc1C(F)(F)F	ZINC001206249749	813256677	/nfs/dbraw/zinc/25/66/77/813256677.db2.gz	CPYHIGURTHMRFQ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
COc1nc(C)c(-c2csc(C(=O)[O-])c2)c(C)c1C#N	ZINC001206278420	813269243	/nfs/dbraw/zinc/26/92/43/813269243.db2.gz	FNHSAEHQOWVHKF-UHFFFAOYSA-N	-1	0	288.328	3.005	20	30		CGEDRM
N#Cc1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)ccn1	ZINC001206594785	813368685	/nfs/dbraw/zinc/36/86/85/813368685.db2.gz	STVSCOKWYZNUKN-UHFFFAOYSA-N	-1	0	299.092	3.243	20	30		CGEDRM
C#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001209890818	814190562	/nfs/dbraw/zinc/19/05/62/814190562.db2.gz	XFKFMWMLXCKFFO-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
CC1(C)CC(=O)C=C(Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001210156260	814316140	/nfs/dbraw/zinc/31/61/40/814316140.db2.gz	OHAUJYXXNLQULA-UHFFFAOYSA-N	-1	0	274.295	3.088	20	30		CGEDRM
N#Cc1cc(Nc2cccc(C(=O)[O-])c2F)cc(F)c1F	ZINC001210241607	814361694	/nfs/dbraw/zinc/36/16/94/814361694.db2.gz	MMHKCEZMVUCYSB-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2ncncc2c1	ZINC001210455695	814467274	/nfs/dbraw/zinc/46/72/74/814467274.db2.gz	CIJDJXIHPOMPOR-UHFFFAOYSA-N	-1	0	268.301	3.012	20	30		CGEDRM
COc1c(Nc2cccc(C#N)c2)cccc1C(=O)[O-]	ZINC001211036917	814714439	/nfs/dbraw/zinc/71/44/39/814714439.db2.gz	NWEGDXPNNGPTTG-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cccc([O-])c3Cl)c1-2	ZINC001242800844	823137242	/nfs/dbraw/zinc/13/72/42/823137242.db2.gz	KXTJCEJJDOTAHV-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c([O-])cc2F)cc([N+](=O)[O-])c1	ZINC001211333849	814880793	/nfs/dbraw/zinc/88/07/93/814880793.db2.gz	ZSLRUBMZYYBDAH-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
COc1cccc(Nc2cc(C)cc(C(=O)[O-])c2)c1C#N	ZINC001211547399	814905967	/nfs/dbraw/zinc/90/59/67/814905967.db2.gz	NWWJKJBCVMAXDS-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1nsc(Nc2ccc(C)c(C(=O)[O-])c2)c1C#N	ZINC001211591899	814914519	/nfs/dbraw/zinc/91/45/19/814914519.db2.gz	HNWJZWFVJPOMPP-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
Cc1ccc(Nc2ccc(C#N)cc2C#N)cc1C(=O)[O-]	ZINC001211608027	814917619	/nfs/dbraw/zinc/91/76/19/814917619.db2.gz	JPMPGCGKRCTUMI-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(C#N)cccc1C#N	ZINC001211623151	814920594	/nfs/dbraw/zinc/92/05/94/814920594.db2.gz	ZBTSXMYQCNXDEX-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
CCc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1CO	ZINC001216109927	815699244	/nfs/dbraw/zinc/69/92/44/815699244.db2.gz	OMKILHRNYLMDRJ-UHFFFAOYSA-N	-1	0	286.306	3.201	20	30		CGEDRM
Cc1c(Nc2ccc(C#N)cc2F)cccc1C(=O)[O-]	ZINC001216660667	815887431	/nfs/dbraw/zinc/88/74/31/815887431.db2.gz	OYAGFLNVOZCXNR-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1c(Nc2ccc(O)cc2C#N)cccc1C(=O)[O-]	ZINC001216661800	815889259	/nfs/dbraw/zinc/88/92/59/815889259.db2.gz	QSKZKJRZUJFCLD-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1	ZINC001216682794	815893183	/nfs/dbraw/zinc/89/31/83/815893183.db2.gz	DESBNLVFUIMQAH-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1cc(-c2noc(-c3cccc(C#N)c3[O-])n2)ccc1F	ZINC001216978529	815903672	/nfs/dbraw/zinc/90/36/72/815903672.db2.gz	APWWYKZYXNRGSY-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1c(F)cccc1-c1noc(-c2cccc(C#N)c2[O-])n1	ZINC001216980270	815905495	/nfs/dbraw/zinc/90/54/95/815905495.db2.gz	YNHKTHCLKHUTMN-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1cc(-c2noc(-c3ccc(C#N)cc3[O-])n2)ccc1F	ZINC001217040415	815907605	/nfs/dbraw/zinc/90/76/05/815907605.db2.gz	VBSVABXVLPQUNW-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1ncc(-c2ccccc2C(=O)[O-])cc1C(F)(F)F	ZINC001242877676	823161537	/nfs/dbraw/zinc/16/15/37/823161537.db2.gz	JKYVAQXZPZVKEI-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1nc(-c2ccccc2C(=O)[O-])c(C#N)c(C)c1C	ZINC001242878590	823162094	/nfs/dbraw/zinc/16/20/94/823162094.db2.gz	JKZRLORTQJKBED-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(CC#N)c1F	ZINC001242923137	823173234	/nfs/dbraw/zinc/17/32/34/823173234.db2.gz	YIXSFWQTJVSBLL-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
O=C([O-])C1(c2ccc(-c3ccc(/C=N/O)c(F)c3)cc2)CC1	ZINC001222694445	816501370	/nfs/dbraw/zinc/50/13/70/816501370.db2.gz	NMKTWSGGSXRUAD-VXLYETTFSA-N	-1	0	299.301	3.417	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cnccn1	ZINC001223594098	816655403	/nfs/dbraw/zinc/65/54/03/816655403.db2.gz	RZXVJBMFAKCAOZ-KWSCKXNYSA-N	-1	0	277.711	3.044	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ccncc1F	ZINC001223889341	816697260	/nfs/dbraw/zinc/69/72/60/816697260.db2.gz	CFNJUEJYEIPMRX-SCRAEEPHSA-N	-1	0	296.248	3.413	20	30		CGEDRM
[O-]/N=C(\O[C@H]1CC(F)(F)C1(F)F)c1cc(F)ccc1F	ZINC001223890064	816697877	/nfs/dbraw/zinc/69/78/77/816697877.db2.gz	NAFDOJHRRVWISE-DGPHVPMCSA-N	-1	0	299.170	3.160	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCCC[C@H]2C)c1	ZINC001223893254	816698570	/nfs/dbraw/zinc/69/85/70/816698570.db2.gz	TXNRGZONPFDUDE-KUJMMLPBSA-N	-1	0	293.363	3.435	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCC[C@H](C)C2)c1	ZINC001223893470	816699049	/nfs/dbraw/zinc/69/90/49/816699049.db2.gz	WELBHIMKHQRERA-NLJQMMLRSA-N	-1	0	293.363	3.435	20	30		CGEDRM
C=CCCCCCC[C@@H](C)OCCCS(=O)(=O)[O-]	ZINC001224899096	816905388	/nfs/dbraw/zinc/90/53/88/816905388.db2.gz	NQJHWBDTWLMZRK-CYBMUJFWSA-N	-1	0	278.414	3.196	20	30		CGEDRM
C=CC[C@H](OCCc1ccc(S(=O)(=O)[O-])cc1)C(C)C	ZINC001224902739	816906888	/nfs/dbraw/zinc/90/68/88/816906888.db2.gz	KYLRJWWAHAFKEB-HNNXBMFYSA-N	-1	0	298.404	3.093	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2F)C1	ZINC001225882677	817205208	/nfs/dbraw/zinc/20/52/08/817205208.db2.gz	WHGTYFHNZPZWNA-ZYHUDNBSSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc(F)cc1	ZINC001226008622	817247149	/nfs/dbraw/zinc/24/71/49/817247149.db2.gz	KTTIPOUWDOGGEK-QMMMGPOBSA-N	-1	0	276.242	3.077	20	30		CGEDRM
CCCC/C=C/[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009054	817248490	/nfs/dbraw/zinc/24/84/90/817248490.db2.gz	QYHDXFBIIGWYLE-VQCYPWCPSA-N	-1	0	264.300	3.312	20	30		CGEDRM
CC(C)=CCC[C@@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222447	817301399	/nfs/dbraw/zinc/30/13/99/817301399.db2.gz	BMYARIFBJJFACQ-GFCCVEGCSA-N	-1	0	260.337	3.481	20	30		CGEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226408384	817349164	/nfs/dbraw/zinc/34/91/64/817349164.db2.gz	JRMPGWHZGKEESJ-LLVKDONJSA-N	-1	0	274.295	3.045	20	30		CGEDRM
C=C[C@H](CC)Oc1cc(O)cc2oc(=O)cc(C)c12	ZINC001226482993	817372103	/nfs/dbraw/zinc/37/21/03/817372103.db2.gz	ABZHCRIOMBEZGX-LLVKDONJSA-N	-1	0	260.289	3.150	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](Oc2ccnc(=S)[nH]2)C(C)(C)O1	ZINC001226941019	817511387	/nfs/dbraw/zinc/51/13/87/817511387.db2.gz	WRINZDREEXHYBM-IINYFYTJSA-N	-1	0	280.393	3.046	20	30		CGEDRM
N#C[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)c1ccccc1	ZINC001227602517	817680367	/nfs/dbraw/zinc/68/03/67/817680367.db2.gz	VSSWPOQSQHRNSO-QMMMGPOBSA-N	-1	0	296.113	3.133	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227612710	817681805	/nfs/dbraw/zinc/68/18/05/817681805.db2.gz	ZMOMZCJTLJYNQA-NSHDSACASA-N	-1	0	299.355	3.488	20	30		CGEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227988992	817774935	/nfs/dbraw/zinc/77/49/35/817774935.db2.gz	AEROZWVNGMWKJT-MRVPVSSYSA-N	-1	0	264.712	3.332	20	30		CGEDRM
C#CC[C@@H](C)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228186026	817833807	/nfs/dbraw/zinc/83/38/07/817833807.db2.gz	NCDMMKFIQFPHNM-CYBMUJFWSA-N	-1	0	280.323	3.414	20	30		CGEDRM
Cc1cc(-c2cccc(F)c2C#N)ccc1C(=O)[O-]	ZINC001243214717	823295450	/nfs/dbraw/zinc/29/54/50/823295450.db2.gz	MRTPDDRXWWDPAC-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc(-c2ccc(CC#N)cc2)ccc1C(=O)[O-]	ZINC001243214934	823295659	/nfs/dbraw/zinc/29/56/59/823295659.db2.gz	WEUQLOGBFHFVEB-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc([O-])c(F)c3F)ccc2[nH]1	ZINC001243339870	823353738	/nfs/dbraw/zinc/35/37/38/823353738.db2.gz	PMCIJHXBIOPXQU-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc([O-])c(F)c1F)CCCC2	ZINC001243341168	823356451	/nfs/dbraw/zinc/35/64/51/823356451.db2.gz	ZGFWBQBLFVLNEI-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
N#C[C@@H](Oc1cc(O)cc(F)c1)c1ccccc1F	ZINC001233817395	818712206	/nfs/dbraw/zinc/71/22/06/818712206.db2.gz	RAUSSKFABIRJBM-CQSZACIVSA-N	-1	0	261.227	3.314	20	30		CGEDRM
Cc1cc(=O)[n-]c(OC2[C@@H](C)CCC[C@@H]2C)c1C#N	ZINC001233919321	818730518	/nfs/dbraw/zinc/73/05/18/818730518.db2.gz	GMJPXZYEOHHESM-UWVGGRQHSA-N	-1	0	260.337	3.171	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)(C)C	ZINC001234512041	818869796	/nfs/dbraw/zinc/86/97/96/818869796.db2.gz	ZGULYROMNQVJRS-LBPRGKRZSA-N	-1	0	285.347	3.411	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)C	ZINC001234512740	818870624	/nfs/dbraw/zinc/87/06/24/818870624.db2.gz	DHNOPCFUGCODHJ-CYBMUJFWSA-N	-1	0	283.331	3.187	20	30		CGEDRM
COc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)cc(F)c1C#N	ZINC001235670784	819133559	/nfs/dbraw/zinc/13/35/59/819133559.db2.gz	ROQRSHJOBCCFGC-QPJJXVBHSA-N	-1	0	297.285	3.471	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235692777	819143364	/nfs/dbraw/zinc/14/33/64/819143364.db2.gz	VDTONDGBMZDDSQ-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])cc1)CCCC2	ZINC001236057579	819291257	/nfs/dbraw/zinc/29/12/57/819291257.db2.gz	GFDHSAKUUNSGKD-UHFFFAOYSA-N	-1	0	278.311	3.197	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(F)cc(F)c2[O-])n1	ZINC001243502459	823421593	/nfs/dbraw/zinc/42/15/93/823421593.db2.gz	XQQBAVTYEWDZTH-UHFFFAOYSA-N	-1	0	260.243	3.107	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243509482	823425641	/nfs/dbraw/zinc/42/56/41/823425641.db2.gz	MAAYQFURIGUNHD-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243512820	823426952	/nfs/dbraw/zinc/42/69/52/823426952.db2.gz	BHADKZDCWWCLBC-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1CC#N	ZINC001239255472	820241892	/nfs/dbraw/zinc/24/18/92/820241892.db2.gz	ANANJNGVTUXIKT-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CC1(c2ccnc(-c3cccc(/C=C/C(=O)[O-])c3)c2)CC1	ZINC001240548219	821134071	/nfs/dbraw/zinc/13/40/71/821134071.db2.gz	KMICXARSOXIQEZ-SNAWJCMRSA-N	-1	0	290.322	3.402	20	30		CGEDRM
COc1cccc(-c2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001240550039	821136668	/nfs/dbraw/zinc/13/66/68/821136668.db2.gz	MUZUJEROEVQBLJ-CMDGGOBGSA-N	-1	0	279.295	3.332	20	30		CGEDRM
CCn1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001240651907	821218397	/nfs/dbraw/zinc/21/83/97/821218397.db2.gz	NJYMUPFEDUBTDV-NGYBGAFCSA-N	-1	0	283.253	3.397	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)cc1C	ZINC001240737101	821289511	/nfs/dbraw/zinc/28/95/11/821289511.db2.gz	QGDZTHSDKLLYNI-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc2[nH]c(C#N)cc21	ZINC001240738048	821289883	/nfs/dbraw/zinc/28/98/83/821289883.db2.gz	ZNDHJBANNBSCQS-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(-c2ccc(CC#N)c(C)c2)ccc1C(=O)[O-]	ZINC001240744979	821296468	/nfs/dbraw/zinc/29/64/68/821296468.db2.gz	QIFPJTYZYYBOES-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1ccc(C(=O)[O-])s1	ZINC001240847614	821368530	/nfs/dbraw/zinc/36/85/30/821368530.db2.gz	LHQOTHZWSAEEND-UHFFFAOYSA-N	-1	0	257.314	3.488	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3ccc(CC(=O)[O-])cc3)cc12	ZINC001240973412	821457469	/nfs/dbraw/zinc/45/74/69/821457469.db2.gz	HOCPAIMSKVUMKG-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001241244996	821666244	/nfs/dbraw/zinc/66/62/44/821666244.db2.gz	BLBOIEDBKRYGLG-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3c(F)ccc([O-])c3F)c12	ZINC001241293292	821710522	/nfs/dbraw/zinc/71/05/22/821710522.db2.gz	QWIYOBVDZAZPLW-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1ccc(-c2cccc(C(=O)[O-])c2)c2cc[nH]c21	ZINC001241360063	821761033	/nfs/dbraw/zinc/76/10/33/821761033.db2.gz	CEIBAGXSQIXIIV-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)c(F)c1	ZINC001241827925	822166072	/nfs/dbraw/zinc/16/60/72/822166072.db2.gz	OSZRHHPXAWDAKK-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(-c2cc(CC#N)ccc2F)cc1C(=O)[O-]	ZINC001241874831	822191228	/nfs/dbraw/zinc/19/12/28/822191228.db2.gz	NWISGGCKKRHLND-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc(F)c1[O-])CCCC2	ZINC001242348976	822959923	/nfs/dbraw/zinc/95/99/23/822959923.db2.gz	CCHQJDLKHQXLRG-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
COc1ccc(-c2cccc(Cl)c2[O-])nc1CC#N	ZINC001242366124	822968974	/nfs/dbraw/zinc/96/89/74/822968974.db2.gz	ZQVNDRFCSONCDW-UHFFFAOYSA-N	-1	0	274.707	3.182	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cccc(Cl)c3[O-])cnc12	ZINC001242365678	822969073	/nfs/dbraw/zinc/96/90/73/822969073.db2.gz	HWTIZYMNLAMLET-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc(C(=O)[O-])c1F)CCCC2	ZINC001242377279	822973314	/nfs/dbraw/zinc/97/33/14/822973314.db2.gz	XRRCXLDOQUIWHP-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(OCCC#N)cc1	ZINC001242392144	822979692	/nfs/dbraw/zinc/97/96/92/822979692.db2.gz	LXGCSFGHBSXWAU-UHFFFAOYSA-N	-1	0	297.310	3.353	20	30		CGEDRM
Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001344051096	936524317	/nfs/dbraw/zinc/52/43/17/936524317.db2.gz	PLNHVBYKNDXLJD-SNVBAGLBSA-N	-1	0	287.294	3.131	20	30		CGEDRM
C=C(C)CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC001344522296	936537467	/nfs/dbraw/zinc/53/74/67/936537467.db2.gz	MALJEHPYYCJTFD-CYBMUJFWSA-N	-1	0	295.766	3.328	20	30		CGEDRM
C=CCN(CCc1ccccc1)C(=O)c1cccc(F)c1[O-]	ZINC001357744529	937179496	/nfs/dbraw/zinc/17/94/96/937179496.db2.gz	WKKQVWMJGUDYIG-UHFFFAOYSA-N	-1	0	299.345	3.402	20	30		CGEDRM
C[C@@H](C(=O)N(O)Cc1cccc2ccccc21)n1ccnc1	ZINC001458015661	937448532	/nfs/dbraw/zinc/44/85/32/937448532.db2.gz	GHSQVTRCKZFMBS-ZDUSSCGKSA-N	-1	0	295.342	3.015	20	30		CGEDRM
CCc1ccc([C@H](C#N)NC(=O)c2cccc(F)c2[O-])cc1	ZINC001460644060	937538202	/nfs/dbraw/zinc/53/82/02/937538202.db2.gz	PHVOYSHCBYITMC-HNNXBMFYSA-N	-1	0	298.317	3.088	20	30		CGEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228913773	932050209	/nfs/dbraw/zinc/05/02/09/932050209.db2.gz	UENPKIYSNSMHIM-NOZJJQNGSA-N	-1	0	288.734	3.170	20	30		CGEDRM
C#C[C@H](Oc1nc2cc(Cl)[n-]c(Cl)c-2n1)C(C)C	ZINC001231047649	932665722	/nfs/dbraw/zinc/66/57/22/932665722.db2.gz	AJJZTSPJMCWARX-QMMMGPOBSA-N	-1	0	284.146	3.301	20	30		CGEDRM
C#CC[C@H](CC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231049946	932665906	/nfs/dbraw/zinc/66/59/06/932665906.db2.gz	OFYYDAIEVWQBDZ-ZETCQYMHSA-N	-1	0	284.146	3.445	20	30		CGEDRM
N#CCOc1ccc(NCc2ccc(F)c(F)c2[O-])cc1	ZINC001331688936	932714268	/nfs/dbraw/zinc/71/42/68/932714268.db2.gz	GINBQRAHJCQXIO-UHFFFAOYSA-N	-1	0	290.269	3.185	20	30		CGEDRM
C=CC[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-]	ZINC001330513640	935292153	/nfs/dbraw/zinc/29/21/53/935292153.db2.gz	NRZIWERBNGPDCP-HNNXBMFYSA-N	-1	0	287.359	3.103	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)c1c[n-]ncc1=O	ZINC001337087568	936236106	/nfs/dbraw/zinc/23/61/06/936236106.db2.gz	JAOIGTDAQVCOBM-UHFFFAOYSA-N	-1	0	279.384	3.005	20	30		CGEDRM
Cc1ccc(/C=C/CC(=O)[N-]Oc2cccc(C#N)c2)cc1	ZINC001557922359	938212515	/nfs/dbraw/zinc/21/25/15/938212515.db2.gz	JIQXSVLGWRWWAE-ONEGZZNKSA-N	-1	0	292.338	3.380	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N1CCCc2cc(C(=O)[O-])ccc21	ZINC001602717575	971369463	/nfs/dbraw/zinc/36/94/63/971369463.db2.gz	SCFXTVKOHSVVAZ-QGZVFWFLSA-N	-1	0	287.359	3.266	20	30		CGEDRM
N#Cc1cccc(SCCCC(=O)[O-])c1Cl	ZINC001594628813	956337815	/nfs/dbraw/zinc/33/78/15/956337815.db2.gz	QKAKFCCQOWNSEN-UHFFFAOYSA-N	-1	0	255.726	3.169	20	30		CGEDRM
C=C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C	ZINC001602827866	960551236	/nfs/dbraw/zinc/55/12/36/960551236.db2.gz	SLPWXUDHFWUFND-LBPRGKRZSA-N	-1	0	262.305	3.142	20	30		CGEDRM
C=CCCCNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC001568585355	961612139	/nfs/dbraw/zinc/61/21/39/961612139.db2.gz	MWDRSIISTXXELC-UHFFFAOYSA-N	-1	0	273.254	3.107	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)NC(C)(C)C(=O)[O-]	ZINC001573841558	962287547	/nfs/dbraw/zinc/28/75/47/962287547.db2.gz	VLIKOIXNDZECFM-GFCCVEGCSA-N	-1	0	271.401	3.353	20	30		CGEDRM
Cc1cc(NCc2cc(C#N)cs2)ccc1C(=O)[O-]	ZINC001574343377	962302950	/nfs/dbraw/zinc/30/29/50/962302950.db2.gz	SJIJKBDSFFHCMI-UHFFFAOYSA-N	-1	0	272.329	3.239	20	30		CGEDRM
N#Cc1nc(Oc2ccc(CC(=O)[O-])cc2)sc1Cl	ZINC001574492880	962310384	/nfs/dbraw/zinc/31/03/84/962310384.db2.gz	DGXKDLSYYIHNLF-UHFFFAOYSA-N	-1	0	294.719	3.088	20	30		CGEDRM
C=C(C)c1cccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC001573326239	962803667	/nfs/dbraw/zinc/80/36/67/962803667.db2.gz	UWYONYJJKUSRJT-UHFFFAOYSA-N	-1	0	299.286	3.465	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cccc(C(=O)[O-])c1	ZINC001573330060	962813888	/nfs/dbraw/zinc/81/38/88/962813888.db2.gz	TVICBQKKUUCNDM-UHFFFAOYSA-N	-1	0	275.348	3.107	20	30		CGEDRM
C=CC1(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC001573330213	962814084	/nfs/dbraw/zinc/81/40/84/962814084.db2.gz	WDKUNILLMQVSNZ-ZDUSSCGKSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1	ZINC001573333187	962853490	/nfs/dbraw/zinc/85/34/90/962853490.db2.gz	XPNAICRJVFVURG-DGCLKSJQSA-N	-1	0	291.347	3.000	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)C(=O)[O-]	ZINC001573356134	963006632	/nfs/dbraw/zinc/00/66/32/963006632.db2.gz	AFVFCZUPIAHPPP-KFWWJZLASA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)Nc1ccccc1C(=O)[O-]	ZINC001588450385	963270924	/nfs/dbraw/zinc/27/09/24/963270924.db2.gz	IBYLIWPMICQSNZ-UHFFFAOYSA-N	-1	0	290.363	3.499	20	30		CGEDRM
C#Cc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1	ZINC001588517972	963274460	/nfs/dbraw/zinc/27/44/60/963274460.db2.gz	LBRQLLVWJNRUFG-UHFFFAOYSA-N	-1	0	257.333	3.113	20	30		CGEDRM
C=CCC1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCCC1	ZINC001588457492	963275941	/nfs/dbraw/zinc/27/59/41/963275941.db2.gz	CKAQRIVWIGGTAN-UHFFFAOYSA-N	-1	0	287.359	3.389	20	30		CGEDRM
C=CCC(C)(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC001588452691	963278108	/nfs/dbraw/zinc/27/81/08/963278108.db2.gz	QMUZIJWFQJYRPD-KBPBESRZSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588460401	963278683	/nfs/dbraw/zinc/27/86/83/963278683.db2.gz	DRDKIBAORUCUBQ-QGZVFWFLSA-N	-1	0	287.359	3.245	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCc1coc(C)n1	ZINC001588576818	963284122	/nfs/dbraw/zinc/28/41/22/963284122.db2.gz	AAYCCERMBCLUCW-UHFFFAOYSA-N	-1	0	287.315	3.379	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc2ccccc2c1	ZINC001588633192	963289617	/nfs/dbraw/zinc/28/96/17/963289617.db2.gz	DSRJJKKQBQLPHV-UHFFFAOYSA-N	-1	0	269.300	3.199	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(C(C)(C)C)c1O	ZINC001588633221	963292142	/nfs/dbraw/zinc/29/21/42/963292142.db2.gz	FNMJGQXRGUANQT-UHFFFAOYSA-N	-1	0	291.347	3.049	20	30		CGEDRM
C=C[C@H](C(=O)Nc1sccc1C(=O)[O-])c1ccccc1	ZINC001588662856	963300245	/nfs/dbraw/zinc/30/02/45/963300245.db2.gz	ACJAMNJCVRYXKK-NSHDSACASA-N	-1	0	287.340	3.355	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588682683	963301375	/nfs/dbraw/zinc/30/13/75/963301375.db2.gz	PXGMIVPVWZMVPQ-HNNXBMFYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC001588690816	963302082	/nfs/dbraw/zinc/30/20/82/963302082.db2.gz	MBVKQINCIARXOG-VIFPVBQESA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=CC[C@@H](Sc1ncnc2sc(C)cc21)C(=O)[O-]	ZINC001588757878	963309888	/nfs/dbraw/zinc/30/98/88/963309888.db2.gz	CFOCXBWVTSZOOH-SECBINFHSA-N	-1	0	280.374	3.121	20	30		CGEDRM
C=CC[C@@H](C(=O)[O-])N1CC[C@H](CCOC)c2ccccc21	ZINC001588729494	963312500	/nfs/dbraw/zinc/31/25/00/963312500.db2.gz	RCKUJZMFQTXWOW-CJNGLKHVSA-N	-1	0	289.375	3.046	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001588731564	963312800	/nfs/dbraw/zinc/31/28/00/963312800.db2.gz	KDLRBLUPCAILGT-UHFFFAOYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=CCC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCCC1	ZINC001588763692	963312882	/nfs/dbraw/zinc/31/28/82/963312882.db2.gz	WJWPTDGDORWLDL-CQSZACIVSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588782046	963315161	/nfs/dbraw/zinc/31/51/61/963315161.db2.gz	NKSZMVLBGONICH-LBPRGKRZSA-N	-1	0	291.322	3.095	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)C(=O)[O-]	ZINC001588787691	963316843	/nfs/dbraw/zinc/31/68/43/963316843.db2.gz	XSLASYNLIWHNIN-YOEHRIQHSA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CC[C@@H]1CCN1[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001588773037	963318426	/nfs/dbraw/zinc/31/84/26/963318426.db2.gz	VDUXWXPONOSDCF-NOZJJQNGSA-N	-1	0	283.730	3.255	20	30		CGEDRM
C=CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC001588803731	963322887	/nfs/dbraw/zinc/32/28/87/963322887.db2.gz	GWZGZQHUUYLURJ-UHFFFAOYSA-N	-1	0	276.336	3.035	20	30		CGEDRM
C=CCCNc1cccc(C(=O)[O-])c1Br	ZINC001588808885	963322903	/nfs/dbraw/zinc/32/29/03/963322903.db2.gz	PBKKZXPQSGUHQE-UHFFFAOYSA-N	-1	0	270.126	3.135	20	30		CGEDRM
CC(=NNc1cc(C)ccc1F)c1cc(C(=O)[O-])co1	ZINC001589016686	963341389	/nfs/dbraw/zinc/34/13/89/963341389.db2.gz	FPAHXROWDGXJOK-UHFFFAOYSA-N	-1	0	276.267	3.261	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000312306828	963552719	/nfs/dbraw/zinc/55/27/19/963552719.db2.gz	OTZLHRVWAMWBRV-JTQLQIEISA-N	-1	0	297.317	3.259	20	30		CGEDRM
C[C@@H](C#N)CNc1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC001589330403	963983549	/nfs/dbraw/zinc/98/35/49/963983549.db2.gz	CXMAMVPKGGUUNR-LURJTMIESA-N	-1	0	273.119	3.263	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1	ZINC001589641239	964011771	/nfs/dbraw/zinc/01/17/71/964011771.db2.gz	OGYBVNNJXITWCH-BXUZGUMPSA-N	-1	0	272.348	3.153	20	30		CGEDRM
C#CCCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl	ZINC001588446156	964068700	/nfs/dbraw/zinc/06/87/00/964068700.db2.gz	AQRZUNANJQZYHJ-UHFFFAOYSA-N	-1	0	296.710	3.162	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000393731828	972632367	/nfs/dbraw/zinc/63/23/67/972632367.db2.gz	IWBSPQVGLDLOIC-LLVKDONJSA-N	-1	0	276.336	3.169	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000393748927	972635484	/nfs/dbraw/zinc/63/54/84/972635484.db2.gz	RZGRQKUDCMPOBH-CYBMUJFWSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC000393756253	972637130	/nfs/dbraw/zinc/63/71/30/972637130.db2.gz	HFZUVZHYFNZTMA-QMMMGPOBSA-N	-1	0	298.289	3.139	20	30		CGEDRM
N#Cc1ccc(CSCCC(=O)[O-])c(C(F)(F)F)c1	ZINC001605611268	973917818	/nfs/dbraw/zinc/91/78/18/973917818.db2.gz	OHGJYHQIOGBZRU-UHFFFAOYSA-N	-1	0	289.278	3.285	20	30		CGEDRM
CCc1cc(C#N)ccc1OC(=O)c1ccc(C(=O)[O-])cc1	ZINC001603967839	974445972	/nfs/dbraw/zinc/44/59/72/974445972.db2.gz	JZVNURKUFYBVBW-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)co1	ZINC001592008432	976677619	/nfs/dbraw/zinc/67/76/19/976677619.db2.gz	KBQKGRNHSAEWBW-ONEGZZNKSA-N	-1	0	291.328	3.454	20	30		CGEDRM
C[C@H](CCN=Nc1ccnc2cc(Cl)ccc12)C(=O)[O-]	ZINC001592471531	978233245	/nfs/dbraw/zinc/23/32/45/978233245.db2.gz	SSUIQMVMKCUBJW-SECBINFHSA-N	-1	0	291.738	3.397	20	30		CGEDRM
C[C@H](Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1)C(=O)[O-]	ZINC001592877929	979747202	/nfs/dbraw/zinc/74/72/02/979747202.db2.gz	RLMQQWFGZURDCA-XPKDYRNWSA-N	-1	0	286.375	3.444	20	30		CGEDRM
CCCC[C@@H](Sc1c(C#N)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC001595657784	982066805	/nfs/dbraw/zinc/06/68/05/982066805.db2.gz	SADZEMOHQGQORR-LLVKDONJSA-N	-1	0	294.332	3.202	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001595705350	982284615	/nfs/dbraw/zinc/28/46/15/982284615.db2.gz	XLDAXWRIIAIXMN-UONOGXRCSA-N	-1	0	283.412	3.306	20	30		CGEDRM
CCc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F	ZINC001597483442	987987698	/nfs/dbraw/zinc/98/76/98/987987698.db2.gz	QWPNTBJCKHJIKV-MRXNPFEDSA-N	-1	0	298.317	3.498	20	30		CGEDRM
COc1ccc(N[C@H](C)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC001599599096	993789712	/nfs/dbraw/zinc/78/97/12/993789712.db2.gz	FGQZVYWJBMRLNE-LLVKDONJSA-N	-1	0	296.326	3.438	20	30		CGEDRM
CO[C@@H](C(=O)[O-])c1ccccc1OCCCC(C)(C)C#N	ZINC001599025824	999015570	/nfs/dbraw/zinc/01/55/70/999015570.db2.gz	GKIHLLOQILMXGA-CQSZACIVSA-N	-1	0	291.347	3.167	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(NC(C)(C)CCC(=O)[O-])n1	ZINC000591326563	346915350	/nfs/dbraw/zinc/91/53/50/346915350.db2.gz	HMUBKWPTGWAIFR-UHFFFAOYSA-N	-1	0	289.379	3.306	20	30		CGEDRM
N#CCCCCN=c1nc(-c2cc(F)cc(F)c2)[n-]s1	ZINC000591908049	346946481	/nfs/dbraw/zinc/94/64/81/346946481.db2.gz	OAUBLRVMWQEZKX-UHFFFAOYSA-N	-1	0	294.330	3.011	20	30		CGEDRM
COC(=O)C[C@@H](C)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000016936810	344887090	/nfs/dbraw/zinc/88/70/90/344887090.db2.gz	DZMVBOWNQOZRRV-LHGJSEJASA-N	-1	0	290.146	3.070	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C1(C)CCCC1	ZINC000069579111	345381878	/nfs/dbraw/zinc/38/18/78/345381878.db2.gz	XHOJCKCWOHYZQO-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791835	345727304	/nfs/dbraw/zinc/72/73/04/345727304.db2.gz	CIMMDXWPJQYFBW-BQYQJAHWSA-N	-1	0	299.779	3.093	20	30		CGEDRM
N#Cc1ccc(NC2(CC(=O)[O-])CCC2)cc1C(F)(F)F	ZINC000094291396	345898128	/nfs/dbraw/zinc/89/81/28/345898128.db2.gz	MTNMHBVAEIHNGD-UHFFFAOYSA-N	-1	0	298.264	3.386	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000119030824	345991837	/nfs/dbraw/zinc/99/18/37/345991837.db2.gz	JBKLDRNDRVFZSJ-UHFFFAOYSA-N	-1	0	292.335	3.119	20	30		CGEDRM
Cc1sc(/C=C/c2ccc(C#N)cc2F)nc1C(=O)[O-]	ZINC000352034866	219297417	/nfs/dbraw/zinc/29/74/17/219297417.db2.gz	IVFMOPDREBHLDO-SNAWJCMRSA-N	-1	0	288.303	3.331	20	30		CGEDRM
C=CC1CCN(C(=O)c2c(C)ccc(C)c2C(=O)[O-])CC1	ZINC000634903992	351602669	/nfs/dbraw/zinc/60/26/69/351602669.db2.gz	DAISMZRIGFPUJG-UHFFFAOYSA-N	-1	0	287.359	3.040	20	30		CGEDRM
C=C1CCN(C(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)CC1	ZINC000634912034	351603577	/nfs/dbraw/zinc/60/35/77/351603577.db2.gz	PUXVKAAXEKUVIX-QGZVFWFLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634931399	351605769	/nfs/dbraw/zinc/60/57/69/351605769.db2.gz	BRUZBUKAKVGIEP-VBQJREDUSA-N	-1	0	293.407	3.223	20	30		CGEDRM
N#Cc1cc(F)c(NCc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000126922937	138387296	/nfs/dbraw/zinc/38/72/96/138387296.db2.gz	FAICOVWWWWWGGU-UHFFFAOYSA-N	-1	0	288.253	3.147	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)s1	ZINC000049513470	369405182	/nfs/dbraw/zinc/40/51/82/369405182.db2.gz	OIUIMOZIJNRCBB-UHFFFAOYSA-N	-1	0	287.406	3.024	20	30		CGEDRM
Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1	ZINC000049513570	369405383	/nfs/dbraw/zinc/40/53/83/369405383.db2.gz	VTTUWZHCNUONHN-UHFFFAOYSA-N	-1	0	295.404	3.271	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2C)n1	ZINC000092693666	370099626	/nfs/dbraw/zinc/09/96/26/370099626.db2.gz	NIDMYDLPFZWVCQ-NSHDSACASA-N	-1	0	288.376	3.027	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2C)n1	ZINC000092693667	370100535	/nfs/dbraw/zinc/10/05/35/370100535.db2.gz	NIDMYDLPFZWVCQ-LLVKDONJSA-N	-1	0	288.376	3.027	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CC[C@H](O)CC1	ZINC000133112768	371227358	/nfs/dbraw/zinc/22/73/58/371227358.db2.gz	FJYWHVPRLCVKLP-QLYAKTQZSA-N	-1	0	288.174	3.421	20	30		CGEDRM
CC(=O)c1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000158623164	372076427	/nfs/dbraw/zinc/07/64/27/372076427.db2.gz	JRVPCSNQLULJRL-JTQLQIEISA-N	-1	0	290.369	3.206	20	30		CGEDRM
CCSCC[C@H](C)NC(=O)c1s[n-]c(=O)c1Cl	ZINC000330460243	374467653	/nfs/dbraw/zinc/46/76/53/374467653.db2.gz	RCEMAAFIGHPORU-LURJTMIESA-N	-1	0	294.829	3.338	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000187290316	374998475	/nfs/dbraw/zinc/99/84/75/374998475.db2.gz	ZKMUGYDLRMMXEQ-NSHDSACASA-N	-1	0	266.256	3.219	20	30		CGEDRM
CC(C)c1csc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000188251742	375185282	/nfs/dbraw/zinc/18/52/82/375185282.db2.gz	KDWAIGUJAQKNKD-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
C=CCn1cccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000488098533	375304806	/nfs/dbraw/zinc/30/48/06/375304806.db2.gz	CACXWZJWMNLMPF-GFCCVEGCSA-N	-1	0	291.310	3.305	20	30		CGEDRM
CCCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000189087430	375321950	/nfs/dbraw/zinc/32/19/50/375321950.db2.gz	CCDDUZQRPXSLJN-UHFFFAOYSA-N	-1	0	296.326	3.305	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N(CCC)[C@H](CC)C(=O)[O-]	ZINC000514772803	375806684	/nfs/dbraw/zinc/80/66/84/375806684.db2.gz	KWRBYEKSBQZFBV-QWHCGFSZSA-N	-1	0	284.400	3.016	20	30		CGEDRM
Cc1ccc(NCc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC000340680159	377211419	/nfs/dbraw/zinc/21/14/19/377211419.db2.gz	NPCCOKNQEAFCBJ-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1	ZINC000342445543	377649369	/nfs/dbraw/zinc/64/93/69/377649369.db2.gz	GEWPOWHSADVEEE-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000342642795	377708227	/nfs/dbraw/zinc/70/82/27/377708227.db2.gz	ZXIXICWBGNQALZ-ZDUSSCGKSA-N	-1	0	283.331	3.129	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(F)cc1[O-]	ZINC000398265938	379929386	/nfs/dbraw/zinc/92/93/86/379929386.db2.gz	WECUJYSUJYGYOM-JTQLQIEISA-N	-1	0	251.301	3.006	20	30		CGEDRM
N#CC(=C([O-])c1cc2cc(Cl)ccc2o1)c1ccncn1	ZINC000354422528	380432699	/nfs/dbraw/zinc/43/26/99/380432699.db2.gz	RZWTXXMKEOKDBC-NSHDSACASA-N	-1	0	297.701	3.366	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3[nH]ccc3s2)n1	ZINC000361646932	381858058	/nfs/dbraw/zinc/85/80/58/381858058.db2.gz	JFPLCBHQORFHBB-MRVPVSSYSA-N	-1	0	287.369	3.484	20	30		CGEDRM
CC[C@@H](C)CON=c1[n-]c(C(F)(F)F)ccc1C#N	ZINC000291800311	392485251	/nfs/dbraw/zinc/48/52/51/392485251.db2.gz	JLWFMALNCGAMIG-MRVPVSSYSA-N	-1	0	273.258	3.362	20	30		CGEDRM
Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1C	ZINC000647379503	392711361	/nfs/dbraw/zinc/71/13/61/392711361.db2.gz	OBIAUOAUYFVIDH-GFCCVEGCSA-N	-1	0	285.372	3.158	20	30		CGEDRM
CCc1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647379447	392711705	/nfs/dbraw/zinc/71/17/05/392711705.db2.gz	KEVBQGBPLLEJAC-CYBMUJFWSA-N	-1	0	297.383	3.468	20	30		CGEDRM
N#CC(=C([O-])c1ncoc1C1CC1)c1nc(C2CC2)cs1	ZINC000647380110	392712223	/nfs/dbraw/zinc/71/22/23/392712223.db2.gz	KNCUWXJOKIUDME-JTQLQIEISA-N	-1	0	299.355	3.376	20	30		CGEDRM
N#CC(=C([O-])c1cncc(F)c1)c1nc2ccccc2s1	ZINC000346190719	393078212	/nfs/dbraw/zinc/07/82/12/393078212.db2.gz	VUYUCNDMGDRAMD-NSHDSACASA-N	-1	0	297.314	3.320	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1cc(-c2cccs2)on1	ZINC000647280000	393422059	/nfs/dbraw/zinc/42/20/59/393422059.db2.gz	MICDUHUGUSZQQP-UHFFFAOYSA-N	-1	0	298.389	3.111	20	30		CGEDRM
C=CCCC(=O)NCc1c2ccccc2sc1C(=O)[O-]	ZINC000676018399	543377381	/nfs/dbraw/zinc/37/73/81/543377381.db2.gz	GJVQQIXMFRWYOM-UHFFFAOYSA-N	-1	0	289.356	3.182	20	30		CGEDRM
Cc1c(NCC#Cc2ccccc2)cccc1C(=O)[O-]	ZINC000020878564	171277579	/nfs/dbraw/zinc/27/75/79/171277579.db2.gz	NIEKOTSJNULMOT-UHFFFAOYSA-N	-1	0	265.312	3.157	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000659244145	418965611	/nfs/dbraw/zinc/96/56/11/418965611.db2.gz	KZIKSBFDKLENHD-UHFFFAOYSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000659165988	418963111	/nfs/dbraw/zinc/96/31/11/418963111.db2.gz	DZFOWHSEVADAGF-TUVASFSCSA-N	-1	0	293.407	3.129	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C1CCCCCC1	ZINC000073838090	260164635	/nfs/dbraw/zinc/16/46/35/260164635.db2.gz	NVEJAIRGGQBBMZ-UHFFFAOYSA-N	-1	0	275.414	3.432	20	30		CGEDRM
C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000076765588	260166784	/nfs/dbraw/zinc/16/67/84/260166784.db2.gz	YQUWMZIBWWUUPC-WDEREUQCSA-N	-1	0	299.367	3.297	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C)C2)c1	ZINC000076759944	260166820	/nfs/dbraw/zinc/16/68/20/260166820.db2.gz	VCSQZFWIUWSRRP-DGCLKSJQSA-N	-1	0	295.404	3.467	20	30		CGEDRM
CCO[C@H](CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000074797271	260288255	/nfs/dbraw/zinc/28/82/55/260288255.db2.gz	PSRFPWQXCDIVAE-VGVSSDJJSA-N	-1	0	294.351	3.171	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1	ZINC000238125898	260722295	/nfs/dbraw/zinc/72/22/95/260722295.db2.gz	GOVGXVNWYVBHFU-UHFFFAOYSA-N	-1	0	295.338	3.213	20	30		CGEDRM
N#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CCC1	ZINC000273616202	263018481	/nfs/dbraw/zinc/01/84/81/263018481.db2.gz	NIIBAJMLJNFCKY-UHFFFAOYSA-N	-1	0	285.130	3.331	20	30		CGEDRM
C[C@H]1CCc2sc(C([O-])=C(C#N)c3ccncn3)cc2C1	ZINC000354481811	300092143	/nfs/dbraw/zinc/09/21/43/300092143.db2.gz	YQEYLSFZDSEHHC-CMPLNLGQSA-N	-1	0	297.383	3.153	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(C#N)ccc1F	ZINC000065350539	301154543	/nfs/dbraw/zinc/15/45/43/301154543.db2.gz	DQOTWCIETOLUGX-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
C=CCC[C@@H](NC(=O)C[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262879388	330036062	/nfs/dbraw/zinc/03/60/62/330036062.db2.gz	KJNJAWPUCGJQGS-DZGCQCFKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
CSc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000453586432	331135001	/nfs/dbraw/zinc/13/50/01/331135001.db2.gz	UVAPGYBTJNKUJA-AWEZNQCLSA-N	-1	0	297.383	3.305	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@@H](C)C3)n1	ZINC000453596723	331135644	/nfs/dbraw/zinc/13/56/44/331135644.db2.gz	XSOBJPDHJRUXQR-GXFFZTMASA-N	-1	0	298.367	3.265	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCC1	ZINC000457301224	331218516	/nfs/dbraw/zinc/21/85/16/331218516.db2.gz	VZPLFFOPHHYUBL-UHFFFAOYSA-N	-1	0	267.275	3.355	20	30		CGEDRM
C=C(C)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000505545965	332743511	/nfs/dbraw/zinc/74/35/11/332743511.db2.gz	AKDKXKSQUKZBJV-UHFFFAOYSA-N	-1	0	261.369	3.309	20	30		CGEDRM
C=CC[C@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000080028665	334165232	/nfs/dbraw/zinc/16/52/32/334165232.db2.gz	BOJOUQAUGFHUCL-ZETCQYMHSA-N	-1	0	274.147	3.393	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C3CC3)oc2C)n1	ZINC000552040766	334280103	/nfs/dbraw/zinc/28/01/03/334280103.db2.gz	WNMBRJAZIXQLBH-SNVBAGLBSA-N	-1	0	287.344	3.115	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])cs2)CCC1	ZINC000580695584	335351785	/nfs/dbraw/zinc/35/17/85/335351785.db2.gz	WEGDAPNWJPVTPT-UHFFFAOYSA-N	-1	0	265.334	3.131	20	30		CGEDRM
Cc1cc(F)ccc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000357179434	533861282	/nfs/dbraw/zinc/86/12/82/533861282.db2.gz	BEXKANHXNCBOOU-UTCJRWHESA-N	-1	0	282.274	3.269	20	30		CGEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1C[C@@]12CCOC2	ZINC000329998654	534329799	/nfs/dbraw/zinc/32/97/99/534329799.db2.gz	SSIGLVUABNNTJP-ISVAXAHUSA-N	-1	0	285.702	3.199	20	30		CGEDRM
C=C[C@H](CC(=O)NCCCCCC(=O)[O-])c1ccccc1	ZINC000190878009	534674737	/nfs/dbraw/zinc/67/47/37/534674737.db2.gz	WNLMELXMGKXCHB-CQSZACIVSA-N	-1	0	289.375	3.108	20	30		CGEDRM
CC(C)c1ccsc1C([O-])=C(C#N)c1ccncn1	ZINC000354481144	528212837	/nfs/dbraw/zinc/21/28/37/528212837.db2.gz	XVOHICFDBBZQHO-NSHDSACASA-N	-1	0	271.345	3.152	20	30		CGEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)CC(C)C	ZINC000749072294	572988863	/nfs/dbraw/zinc/98/88/63/572988863.db2.gz	XAQBEXHMFNJBJR-UHFFFAOYSA-N	-1	0	291.457	3.229	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cccs2)cs1	ZINC000730148808	571951650	/nfs/dbraw/zinc/95/16/50/571951650.db2.gz	MHJFBAJTTLYHGL-ONEGZZNKSA-N	-1	0	264.327	3.404	20	30		CGEDRM
Cc1cc(C)cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738365170	572373309	/nfs/dbraw/zinc/37/33/09/572373309.db2.gz	XDSGHLSKTKZZQJ-MRXNPFEDSA-N	-1	0	280.327	3.413	20	30		CGEDRM
C#CCOc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000730952522	572385833	/nfs/dbraw/zinc/38/58/33/572385833.db2.gz	YKLGKTZIUPPSDB-UHFFFAOYSA-N	-1	0	296.282	3.063	20	30		CGEDRM
N#CCc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1	ZINC000739091969	572402081	/nfs/dbraw/zinc/40/20/81/572402081.db2.gz	ORXGPBOTWGPJOV-OAHLLOKOSA-N	-1	0	284.290	3.130	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(CNC(=O)[O-])cc2)c(F)c1	ZINC000739118791	572402862	/nfs/dbraw/zinc/40/28/62/572402862.db2.gz	XAGYWFOSPCQFOF-UHFFFAOYSA-N	-1	0	299.305	3.077	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCc3sccc3C2=O)o1	ZINC000740122461	572433239	/nfs/dbraw/zinc/43/32/39/572433239.db2.gz	GCWDLYPBGXAVBA-BQYQJAHWSA-N	-1	0	274.297	3.252	20	30		CGEDRM
N#Cc1ccc(CNc2ccc3c(c2)CCN3C(=O)[O-])cc1	ZINC000740315720	572439683	/nfs/dbraw/zinc/43/96/83/572439683.db2.gz	ORPCGAHWDFOXOW-UHFFFAOYSA-N	-1	0	293.326	3.211	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C12CCC2	ZINC000741160002	572485866	/nfs/dbraw/zinc/48/58/66/572485866.db2.gz	IVRFMOCLDGIVOQ-CQSZACIVSA-N	-1	0	288.347	3.132	20	30		CGEDRM
N#CC(=C([O-])C1=COCC1)c1nc(-c2ccccc2)cs1	ZINC000744037553	572698143	/nfs/dbraw/zinc/69/81/43/572698143.db2.gz	YCOCEKKWVABPNY-ZDUSSCGKSA-N	-1	0	296.351	3.291	20	30		CGEDRM
CC(C)CN(CCCCC#N)c1ccc(-c2nn[nH]n2)cc1	ZINC000735827611	572743808	/nfs/dbraw/zinc/74/38/08/572743808.db2.gz	RGOPUDQOVXMJQC-UHFFFAOYSA-N	-1	0	298.394	3.023	20	30		CGEDRM
C=C(C)CNc1nc(-c2cc(C(=O)[O-])co2)cs1	ZINC000736094786	572768280	/nfs/dbraw/zinc/76/82/80/572768280.db2.gz	VRIYQXYLBQVODJ-UHFFFAOYSA-N	-1	0	264.306	3.089	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000736095235	572768294	/nfs/dbraw/zinc/76/82/94/572768294.db2.gz	MWJOKTTWBHIRGI-UHFFFAOYSA-N	-1	0	277.324	3.206	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(F)cc2F)c1	ZINC000745625558	572827645	/nfs/dbraw/zinc/82/76/45/572827645.db2.gz	XOJNOEIUERIXLL-IUXPMGMMSA-N	-1	0	292.241	3.198	20	30		CGEDRM
CC1(C)CCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749930426	573062268	/nfs/dbraw/zinc/06/22/68/573062268.db2.gz	KPCSMIHCYQOFEG-GULXKOIASA-N	-1	0	262.309	3.298	20	30		CGEDRM
CC[C@@H](NN=Cc1ccc(Cl)c(C)c1Cl)C(=O)[O-]	ZINC000901245725	620846058	/nfs/dbraw/zinc/84/60/58/620846058.db2.gz	GEYJLDXWBFNIQX-SNVBAGLBSA-N	-1	0	289.162	3.089	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1	ZINC000774135520	597718460	/nfs/dbraw/zinc/71/84/60/597718460.db2.gz	QDBDISPMFYQSQZ-PLNGDYQASA-N	-1	0	287.702	3.329	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518874	619502845	/nfs/dbraw/zinc/50/28/45/619502845.db2.gz	IYOWJRQMPLAFOL-UHFFFAOYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827768486	600751495	/nfs/dbraw/zinc/75/14/95/600751495.db2.gz	SNZWBPMIMMHXGB-LBPRGKRZSA-N	-1	0	295.342	3.499	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Cc3cc(Cl)ccc3C2=O)o1	ZINC000833312714	600830350	/nfs/dbraw/zinc/83/03/50/600830350.db2.gz	UUWQXMMNTLUUBV-CLFYSBASSA-N	-1	0	288.686	3.454	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c(C)c1	ZINC000832912139	601330851	/nfs/dbraw/zinc/33/08/51/601330851.db2.gz	SQUQZOIROIMXGO-VMPITWQZSA-N	-1	0	269.300	3.226	20	30		CGEDRM
Cn1cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c2ccccc21	ZINC000833042285	601331898	/nfs/dbraw/zinc/33/18/98/601331898.db2.gz	ZLIPZXYQHHSYCT-VQHVLOKHSA-N	-1	0	294.310	3.101	20	30		CGEDRM
CCC[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209190	601351797	/nfs/dbraw/zinc/35/17/97/601351797.db2.gz	SBSKARHRAYQCBT-XHDPSFHLSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCCCC[C@@H](/N=C\c1ccc(OCC)cc1O)C(=O)[O-]	ZINC000829312754	601365717	/nfs/dbraw/zinc/36/57/17/601365717.db2.gz	ZZHQPVCMYLFHIA-RQNDZEIBSA-N	-1	0	293.363	3.243	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)s1	ZINC000833071200	601380910	/nfs/dbraw/zinc/38/09/10/601380910.db2.gz	YDUMTHTVFCVITH-UHFFFAOYSA-N	-1	0	297.295	3.035	20	30		CGEDRM
C=CCCCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000825671616	601437800	/nfs/dbraw/zinc/43/78/00/601437800.db2.gz	XMSVZUTZGPSGKW-CQSZACIVSA-N	-1	0	275.348	3.065	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC000832910760	601791124	/nfs/dbraw/zinc/79/11/24/601791124.db2.gz	DSQCHTYQYRFUPP-GQCTYLIASA-N	-1	0	269.300	3.226	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c(C)c1	ZINC000832911430	601792092	/nfs/dbraw/zinc/79/20/92/601792092.db2.gz	NGCSNABQCUCQAC-GQCTYLIASA-N	-1	0	269.300	3.226	20	30		CGEDRM
CCCCCCCCCNC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000829356685	601802967	/nfs/dbraw/zinc/80/29/67/601802967.db2.gz	HCYVECCHNVDWCK-UONOGXRCSA-N	-1	0	298.427	3.099	20	30		CGEDRM
O=C([O-])c1cccc(C/N=C/c2cc(Cl)ccc2O)c1	ZINC000585668014	601844954	/nfs/dbraw/zinc/84/49/54/601844954.db2.gz	MAVATRAZBBDDAD-RQZCQDPDSA-N	-1	0	289.718	3.363	20	30		CGEDRM
CCOc1ccc(O)c(/C=N/Cc2cccc(C(=O)[O-])c2)c1	ZINC000830084331	601845098	/nfs/dbraw/zinc/84/50/98/601845098.db2.gz	AMQHOZAZVPTSGM-WOJGMQOQSA-N	-1	0	299.326	3.108	20	30		CGEDRM
Cc1ccc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000794854589	602065695	/nfs/dbraw/zinc/06/56/95/602065695.db2.gz	IRJUOXOUSIOKCM-CYBMUJFWSA-N	-1	0	298.342	3.293	20	30		CGEDRM
C[C@@H](Oc1ccc(C=NOCc2ccccc2)cc1)C(=O)[O-]	ZINC000794888106	602071074	/nfs/dbraw/zinc/07/10/74/602071074.db2.gz	KYDNFWCNDYLFHV-CYBMUJFWSA-N	-1	0	299.326	3.089	20	30		CGEDRM
Cc1ccc(C#N)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000232309137	602306846	/nfs/dbraw/zinc/30/68/46/602306846.db2.gz	RDJOXEBVWCYBSX-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
N#Cc1cccc(Cl)c1NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000831146375	603188509	/nfs/dbraw/zinc/18/85/09/603188509.db2.gz	OAYMLPVQXZMLSF-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(N=Cc2ccccc2O)cc1	ZINC000825403371	603240482	/nfs/dbraw/zinc/24/04/82/603240482.db2.gz	WHNGPKCZYOIKFE-LLVKDONJSA-N	-1	0	284.315	3.471	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2ccc3ccccc3n2)CC1	ZINC000831868925	603856457	/nfs/dbraw/zinc/85/64/57/603856457.db2.gz	GHTFXBCYRJJGOX-UHFFFAOYSA-N	-1	0	298.346	3.023	20	30		CGEDRM
C=CCCCC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2	ZINC000823496314	603896085	/nfs/dbraw/zinc/89/60/85/603896085.db2.gz	HTQVZFDRTITRGZ-UHFFFAOYSA-N	-1	0	288.347	3.018	20	30		CGEDRM
N#Cc1cccc(SCC2CCN(C(=O)[O-])CC2)c1	ZINC000831152240	604288192	/nfs/dbraw/zinc/28/81/92/604288192.db2.gz	AFRAGAMOUFGCFF-UHFFFAOYSA-N	-1	0	276.361	3.040	20	30		CGEDRM
CC(=NNCc1ccccc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814752437	604634952	/nfs/dbraw/zinc/63/49/52/604634952.db2.gz	MMBOGSZPIHUCED-CYBMUJFWSA-N	-1	0	276.380	3.433	20	30		CGEDRM
CC(=NNC1CCCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814832925	604638542	/nfs/dbraw/zinc/63/85/42/604638542.db2.gz	RTMCMVMJRWHHGP-LLVKDONJSA-N	-1	0	254.374	3.176	20	30		CGEDRM
Cc1ccc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])nc1	ZINC000814831935	604638553	/nfs/dbraw/zinc/63/85/53/604638553.db2.gz	XYCRHCBXYATMAL-LBPRGKRZSA-N	-1	0	277.368	3.459	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)C1C(C)(C)C1(C)C	ZINC000833386689	604670196	/nfs/dbraw/zinc/67/01/96/604670196.db2.gz	SREIHYHCSNOULL-UHFFFAOYSA-N	-1	0	275.352	3.250	20	30		CGEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1ccccc1Cl	ZINC000833405604	605037653	/nfs/dbraw/zinc/03/76/53/605037653.db2.gz	FYVHHMJZGVAUBO-SNVBAGLBSA-N	-1	0	291.738	3.233	20	30		CGEDRM
C=CCOc1ccc(OC(=O)CC(C)(C)CC(=O)[O-])cc1	ZINC000833377539	605108355	/nfs/dbraw/zinc/10/83/55/605108355.db2.gz	AMZSPCPINAIYNC-UHFFFAOYSA-N	-1	0	292.331	3.048	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1	ZINC000833386945	605593126	/nfs/dbraw/zinc/59/31/26/605593126.db2.gz	DASOFUVVWIPECL-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000833361835	605600602	/nfs/dbraw/zinc/60/06/02/605600602.db2.gz	OAEXOKIKBQFLQK-UHFFFAOYSA-N	-1	0	274.320	3.299	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1cc(C(=O)[O-])ccc1F	ZINC000833430000	605835483	/nfs/dbraw/zinc/83/54/83/605835483.db2.gz	CXETYURCRLURQQ-UHFFFAOYSA-N	-1	0	292.354	3.286	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C(C)C	ZINC000121104097	617985489	/nfs/dbraw/zinc/98/54/89/617985489.db2.gz	QMMYWZMPIAWGQZ-GFCCVEGCSA-N	-1	0	268.316	3.024	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1	ZINC000899856186	620732438	/nfs/dbraw/zinc/73/24/38/620732438.db2.gz	NGYHFUXEWVDBCN-HUUCEWRRSA-N	-1	0	285.343	3.325	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000890567649	617653339	/nfs/dbraw/zinc/65/33/39/617653339.db2.gz	XOKBXSULOXRLBJ-SECBINFHSA-N	-1	0	286.158	3.490	20	30		CGEDRM
O=C([O-])c1ccc(C=NOC/C=C\Cl)c(Cl)c1	ZINC000811671686	617716811	/nfs/dbraw/zinc/71/68/11/617716811.db2.gz	JSFWEWXKCUKJGG-YHHAPTPFSA-N	-1	0	274.103	3.141	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccco2)c1[O-]	ZINC000255329589	618207044	/nfs/dbraw/zinc/20/70/44/618207044.db2.gz	RSBBEZNPIYAXIA-NSIKDUERSA-N	-1	0	280.667	3.166	20	30		CGEDRM
CCC=C(C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077880493	618218237	/nfs/dbraw/zinc/21/82/37/618218237.db2.gz	UCZQJVIMXOEOGP-NXIHDVOMSA-N	-1	0	281.377	3.390	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccccc2F)c1	ZINC000022770020	618416287	/nfs/dbraw/zinc/41/62/87/618416287.db2.gz	QEKNFQULUZUFBN-LICLKQGHSA-N	-1	0	288.278	3.101	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000935260596	618750057	/nfs/dbraw/zinc/75/00/57/618750057.db2.gz	RJOFAGBMGMTPCT-LLVKDONJSA-N	-1	0	261.321	3.136	20	30		CGEDRM
O=C([O-])c1ccc(N=NC=C2COc3ccccc3C2)cc1	ZINC000013143170	618809777	/nfs/dbraw/zinc/80/97/77/618809777.db2.gz	GYJFZWUZJTXRMN-UHFFFAOYSA-N	-1	0	294.310	3.259	20	30		CGEDRM
Cc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000216499051	619232697	/nfs/dbraw/zinc/23/26/97/619232697.db2.gz	WZGZRINZQCBMBT-YVMONPNESA-N	-1	0	254.285	3.302	20	30		CGEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519110	619503134	/nfs/dbraw/zinc/50/31/34/619503134.db2.gz	UUKDQIDKHVMXAZ-UHFFFAOYSA-N	-1	0	299.367	3.441	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519714	619503847	/nfs/dbraw/zinc/50/38/47/619503847.db2.gz	YQFRYJCJSPVHKR-UHFFFAOYSA-N	-1	0	281.377	3.011	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909518587	619810925	/nfs/dbraw/zinc/81/09/25/619810925.db2.gz	BWIIFPUJHOKVLB-SJKOYZFVSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909525155	619859662	/nfs/dbraw/zinc/85/96/62/619859662.db2.gz	WAARXWLGAFNOHS-GFCCVEGCSA-N	-1	0	289.375	3.491	20	30		CGEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000073087342	625429656	/nfs/dbraw/zinc/42/96/56/625429656.db2.gz	SSYYMDMVRRDLAG-SECBINFHSA-N	-1	0	289.784	3.277	20	30		CGEDRM
O=C(/C=C/c1ccccc1F)c1ccc(O)cc1[O-]	ZINC000149018912	622105861	/nfs/dbraw/zinc/10/58/61/622105861.db2.gz	MIMSGVPZVOLWTO-VMPITWQZSA-N	-1	0	258.248	3.133	20	30		CGEDRM
C=CCC1(C(=O)N(C)c2cccc(CC(=O)[O-])c2)CCC1	ZINC000908080596	622328599	/nfs/dbraw/zinc/32/85/99/622328599.db2.gz	SJDGUECZKZQEMB-UHFFFAOYSA-N	-1	0	287.359	3.023	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908332572	622342072	/nfs/dbraw/zinc/34/20/72/622342072.db2.gz	ATGOJNATCPWERO-OAHLLOKOSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CC1	ZINC000909098943	622392523	/nfs/dbraw/zinc/39/25/23/622392523.db2.gz	DMIUEOSYWRWTQT-WDZFZDKYSA-N	-1	0	285.343	3.469	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)C1	ZINC000909830811	622427172	/nfs/dbraw/zinc/42/71/72/622427172.db2.gz	AAIFQYLTMULJQY-LLVKDONJSA-N	-1	0	273.332	3.170	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000910189656	622466271	/nfs/dbraw/zinc/46/62/71/622466271.db2.gz	DLGFVOZZIXTSFU-UHFFFAOYSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)cc1Cl)C(=O)[O-]	ZINC000910915724	622508642	/nfs/dbraw/zinc/50/86/42/622508642.db2.gz	QKQVFBAJRREKGC-ZDUSSCGKSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cc2occc2s1)C(=O)[O-]	ZINC000910915798	622508731	/nfs/dbraw/zinc/50/87/31/622508731.db2.gz	AZFIFXWRMIWLGJ-SECBINFHSA-N	-1	0	293.344	3.034	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000911401023	622532640	/nfs/dbraw/zinc/53/26/40/622532640.db2.gz	ARPOTCUIBSJQCG-AWEZNQCLSA-N	-1	0	275.348	3.101	20	30		CGEDRM
C=C[C@H](CC(=O)N(CCC)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000911719652	622544850	/nfs/dbraw/zinc/54/48/50/622544850.db2.gz	UCZZVUUZOQEFSC-UONOGXRCSA-N	-1	0	289.375	3.058	20	30		CGEDRM
O=C1c2cc(F)ccc2C/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000157318107	622898593	/nfs/dbraw/zinc/89/85/93/622898593.db2.gz	SEOVNOYSAYRLER-WDZFZDKYSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1	ZINC000076761989	623053125	/nfs/dbraw/zinc/05/31/25/623053125.db2.gz	FMEZPEKIOKILPE-SNVBAGLBSA-N	-1	0	287.356	3.016	20	30		CGEDRM
N#Cc1ccc(N2CCCC[C@H]2CC(=O)[O-])cc1Cl	ZINC000061845305	623182658	/nfs/dbraw/zinc/18/26/58/623182658.db2.gz	PBIRCDKEQHGXCH-NSHDSACASA-N	-1	0	278.739	3.045	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NOC[C@@H]1CCOC1	ZINC000788032616	623872296	/nfs/dbraw/zinc/87/22/96/623872296.db2.gz	CGWPRGCQOMOYBM-MRVPVSSYSA-N	-1	0	290.146	3.086	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc[nH]1	ZINC000916259277	624128303	/nfs/dbraw/zinc/12/83/03/624128303.db2.gz	AYJHJSHUPHLAEL-UHFFFAOYSA-N	-1	0	277.711	3.202	20	30		CGEDRM
CCCn1cccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000918151313	624337687	/nfs/dbraw/zinc/33/76/87/624337687.db2.gz	PQMQVTAKMYELSC-UHFFFAOYSA-N	-1	0	271.320	3.042	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CC=CCC2)c1	ZINC000920991579	624558627	/nfs/dbraw/zinc/55/86/27/624558627.db2.gz	VZVWMFSVPUGOEO-MKVLZVNKSA-N	-1	0	260.293	3.076	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@H]2CCOC2)n1	ZINC000835200835	634393254	/nfs/dbraw/zinc/39/32/54/634393254.db2.gz	PTFAYRWBTNVQLJ-RRNNCXACSA-N	-1	0	290.388	3.035	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(C)cc1	ZINC000073837759	626070317	/nfs/dbraw/zinc/07/03/17/626070317.db2.gz	SQGOLHDRUYRUAJ-UHFFFAOYSA-N	-1	0	297.420	3.403	20	30		CGEDRM
CC1CC(/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000751890008	626409459	/nfs/dbraw/zinc/40/94/59/626409459.db2.gz	HZSBBIGEANCZCK-NSIKDUERSA-N	-1	0	268.700	3.171	20	30		CGEDRM
O=C(/C=C/c1nccs1)c1cc(Cl)ccc1[O-]	ZINC000757467189	626780897	/nfs/dbraw/zinc/78/08/97/626780897.db2.gz	CKEUUJOXYZYGLD-ONEGZZNKSA-N	-1	0	265.721	3.398	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])cc1C#N	ZINC000757467644	626781021	/nfs/dbraw/zinc/78/10/21/626781021.db2.gz	HPDWDWUWXPMUHA-DAXSKMNVSA-N	-1	0	293.322	3.477	20	30		CGEDRM
Cc1cccc2ncc(/C=C/C(=O)c3ccc(F)cc3[O-])n21	ZINC000757475906	626782393	/nfs/dbraw/zinc/78/23/93/626782393.db2.gz	NGJQUBZDRQAPJW-SOFGYWHQSA-N	-1	0	296.301	3.384	20	30		CGEDRM
CC1(C)CCC/C(=C\c2cccc(OCC(=O)[O-])c2)C1=O	ZINC000757533694	626785652	/nfs/dbraw/zinc/78/56/52/626785652.db2.gz	HVPLPVJGXMOAFL-UKTHLTGXSA-N	-1	0	288.343	3.313	20	30		CGEDRM
[O-]c1c(F)cc(C=NOCc2ccc(F)cc2)cc1F	ZINC000758142821	626830483	/nfs/dbraw/zinc/83/04/83/626830483.db2.gz	MBHVAJDGWXZYSL-UHFFFAOYSA-N	-1	0	281.233	3.360	20	30		CGEDRM
Cc1cc(C)cc(CCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000759720353	626917761	/nfs/dbraw/zinc/91/77/61/626917761.db2.gz	ALAIHHQSIAXTPC-UHFFFAOYSA-N	-1	0	294.354	3.452	20	30		CGEDRM
C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc[nH]1	ZINC000760227913	626945814	/nfs/dbraw/zinc/94/58/14/626945814.db2.gz	BWDVZPQFUMDOEJ-RBYRDDOMSA-N	-1	0	293.710	3.462	20	30		CGEDRM
CCC(=NNC1CCCC1)c1ccc(C(=O)[O-])cc1	ZINC000760247582	626947926	/nfs/dbraw/zinc/94/79/26/626947926.db2.gz	CHKXQAJGZAYPID-UHFFFAOYSA-N	-1	0	260.337	3.031	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H](C3CC3)C2)nc1	ZINC000763367909	627154314	/nfs/dbraw/zinc/15/43/14/627154314.db2.gz	HNIRCKYMRKUKBR-LLVKDONJSA-N	-1	0	273.336	3.148	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1ccccc1[O-]	ZINC000764443771	627207768	/nfs/dbraw/zinc/20/77/68/627207768.db2.gz	XSLLEHVYAJBKKR-VOTSOKGWSA-N	-1	0	260.314	3.358	20	30		CGEDRM
C[C@H]1CC(C)(C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000766029323	627289313	/nfs/dbraw/zinc/28/93/13/627289313.db2.gz	KJAIKSZSBICAFY-VIFPVBQESA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC1(C)CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000768268288	627471828	/nfs/dbraw/zinc/47/18/28/627471828.db2.gz	GWSFVQNNACZODS-GPILYODUSA-N	-1	0	262.309	3.298	20	30		CGEDRM
CC[C@H]1C[C@@H](C)CCC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000769566888	627566699	/nfs/dbraw/zinc/56/66/99/627566699.db2.gz	LXPKNGNXFBWRLN-ONGXEEELSA-N	-1	0	262.357	3.105	20	30		CGEDRM
N#Cc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1F	ZINC000770572790	627627680	/nfs/dbraw/zinc/62/76/80/627627680.db2.gz	KFTQUNHZNVMDNF-GORDUTHDSA-N	-1	0	285.249	3.438	20	30		CGEDRM
CC(=NOC1CCCCC1)c1ccc(C(=O)[O-])o1	ZINC000773071777	627850583	/nfs/dbraw/zinc/85/05/83/627850583.db2.gz	BQRBBUZSNZPGNM-UHFFFAOYSA-N	-1	0	251.282	3.051	20	30		CGEDRM
CCc1cnccc1[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000773150212	627863035	/nfs/dbraw/zinc/86/30/35/627863035.db2.gz	OFGBTQCKEQTEGU-HPAYWCODSA-N	-1	0	299.330	3.438	20	30		CGEDRM
CCc1cnccc1[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000773150223	627863189	/nfs/dbraw/zinc/86/31/89/627863189.db2.gz	OFGBTQCKEQTEGU-TZQXVGBESA-N	-1	0	299.330	3.438	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\CCOc3ccccc3C2=O)c1	ZINC000774141661	627950331	/nfs/dbraw/zinc/95/03/31/627950331.db2.gz	YVRQDTCIFUFJQE-JLHYYAGUSA-N	-1	0	294.306	3.434	20	30		CGEDRM
C#C[C@H]1CC[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000874862815	634640813	/nfs/dbraw/zinc/64/08/13/634640813.db2.gz	VAEDYDHCACKOJL-HOMQSWHASA-N	-1	0	295.741	3.107	20	30		CGEDRM
O=C(/C=C/c1ccc(F)nc1)c1ccc([O-])c(Cl)c1	ZINC000777468095	628274983	/nfs/dbraw/zinc/27/49/83/628274983.db2.gz	OUDNLLRIYAOOOU-DAFODLJHSA-N	-1	0	277.682	3.476	20	30		CGEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]Oc1ccccc1F	ZINC000874910712	634649933	/nfs/dbraw/zinc/64/99/33/634649933.db2.gz	ZBCFYIUIUCNCMN-CQSZACIVSA-N	-1	0	296.342	3.207	20	30		CGEDRM
N#CC1(CC(=O)[N-]Oc2ccccc2F)CCCCC1	ZINC000874911477	634650432	/nfs/dbraw/zinc/65/04/32/634650432.db2.gz	UTKOUUIIIDFNGD-UHFFFAOYSA-N	-1	0	276.311	3.100	20	30		CGEDRM
CCc1cccnc1C(C)=NNc1ccccc1C(=O)[O-]	ZINC000779765931	628427236	/nfs/dbraw/zinc/42/72/36/628427236.db2.gz	AOMXLCCUOZCFPB-UHFFFAOYSA-N	-1	0	283.331	3.178	20	30		CGEDRM
CC(=NNCCC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000782903710	628666234	/nfs/dbraw/zinc/66/62/34/628666234.db2.gz	ZPSCHJUFPRUMPL-UHFFFAOYSA-N	-1	0	279.340	3.050	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H](C(F)(F)F)C2)n1	ZINC000783511951	628719658	/nfs/dbraw/zinc/71/96/58/628719658.db2.gz	XEZJGYPPANXVFO-MRVPVSSYSA-N	-1	0	288.273	3.011	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cccnc2)c(Cl)c1	ZINC000783695887	628740742	/nfs/dbraw/zinc/74/07/42/628740742.db2.gz	BSIYQCSYFBGIAK-WAYWQWQTSA-N	-1	0	287.702	3.329	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccncc2)c(Cl)c1	ZINC000783697055	628740794	/nfs/dbraw/zinc/74/07/94/628740794.db2.gz	MDUUKSZMEPHYBD-ARJAWSKDSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CCc1ccc(N(CC)C(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000785509728	628868321	/nfs/dbraw/zinc/86/83/21/628868321.db2.gz	GJVSYVDCAYAGFK-UHFFFAOYSA-N	-1	0	294.354	3.493	20	30		CGEDRM
CC(C)CON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000789033116	629098213	/nfs/dbraw/zinc/09/82/13/629098213.db2.gz	CQURKASURYVGLZ-ZDUSSCGKSA-N	-1	0	261.321	3.025	20	30		CGEDRM
O=C([N-][C@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)F	ZINC000791680162	629295615	/nfs/dbraw/zinc/29/56/15/629295615.db2.gz	WSWMYILTCQBSKK-SSDOTTSWSA-N	-1	0	289.150	3.108	20	30		CGEDRM
CC[C@H](NN=Cc1ccccc1-c1ccccc1)C(=O)[O-]	ZINC000793056355	629406580	/nfs/dbraw/zinc/40/65/80/629406580.db2.gz	GFZWKCSIGBITTA-INIZCTEOSA-N	-1	0	282.343	3.140	20	30		CGEDRM
CC[C@@H](C)CON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000793159332	629418365	/nfs/dbraw/zinc/41/83/65/629418365.db2.gz	NIFOLVMSIBWVAO-BXUZGUMPSA-N	-1	0	275.348	3.415	20	30		CGEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)C1CC(F)(F)C1	ZINC000863064546	629466588	/nfs/dbraw/zinc/46/65/88/629466588.db2.gz	KTGVSCSZHUGAIR-UHFFFAOYSA-N	-1	0	268.263	3.218	20	30		CGEDRM
COC1CCC(CN=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000863123121	629479675	/nfs/dbraw/zinc/47/96/75/629479675.db2.gz	CMKPYXAGCHCEIQ-UHFFFAOYSA-N	-1	0	290.363	3.296	20	30		CGEDRM
Cc1cccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])n1	ZINC000863160525	629486124	/nfs/dbraw/zinc/48/61/24/629486124.db2.gz	IQUJGODWIUAYPP-LLVKDONJSA-N	-1	0	277.368	3.459	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NNCCC(F)(F)F	ZINC000794545810	629553814	/nfs/dbraw/zinc/55/38/14/629553814.db2.gz	PADXJZDOIJHYEH-UHFFFAOYSA-N	-1	0	284.640	3.061	20	30		CGEDRM
CCn1cc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)cn1	ZINC000794934421	629602268	/nfs/dbraw/zinc/60/22/68/629602268.db2.gz	KMXCBDYAFFSGQA-WAYWQWQTSA-N	-1	0	298.342	3.114	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000794941714	629604233	/nfs/dbraw/zinc/60/42/33/629604233.db2.gz	WCOZWLNBKSLWLV-FPLPWBNLSA-N	-1	0	256.305	3.066	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC000864176344	629791202	/nfs/dbraw/zinc/79/12/02/629791202.db2.gz	QWBFDDKRSCNUCZ-KKUMJFAQSA-N	-1	0	295.423	3.449	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000864188068	629794413	/nfs/dbraw/zinc/79/44/13/629794413.db2.gz	GCHNQOXEYGOREQ-VQHVLOKHSA-N	-1	0	291.347	3.100	20	30		CGEDRM
CC(C)C[C@H](C)C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000799107062	630143381	/nfs/dbraw/zinc/14/33/81/630143381.db2.gz	TTYPKKHVYDRGLJ-NSHDSACASA-N	-1	0	289.404	3.201	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2cc(C)ccc2[O-])ccc1C#N	ZINC000799497561	630191236	/nfs/dbraw/zinc/19/12/36/630191236.db2.gz	UYOKECIYDVGEGR-VMPITWQZSA-N	-1	0	293.322	3.477	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc(C)cc2[O-])ccc1C#N	ZINC000799496989	630191269	/nfs/dbraw/zinc/19/12/69/630191269.db2.gz	CDNXVJKVYPHRKM-YVMONPNESA-N	-1	0	293.322	3.477	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccc3c(c2)CCO3)c1	ZINC000806558422	630566181	/nfs/dbraw/zinc/56/61/81/630566181.db2.gz	CBAUDQLYTXPGKI-XQRVVYSFSA-N	-1	0	294.306	3.216	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccsc2)c1	ZINC000806558618	630566625	/nfs/dbraw/zinc/56/66/25/630566625.db2.gz	HQZDLCPYNYJKKM-SNAWJCMRSA-N	-1	0	258.298	3.342	20	30		CGEDRM
CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000812444702	631261209	/nfs/dbraw/zinc/26/12/09/631261209.db2.gz	FBPRZQMQYCYRPH-UHFFFAOYSA-N	-1	0	297.358	3.287	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C)cc1O	ZINC000812445927	631261675	/nfs/dbraw/zinc/26/16/75/631261675.db2.gz	GTQLQYJGRZRKPU-UHFFFAOYSA-N	-1	0	284.315	3.235	20	30		CGEDRM
C#CCO[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1	ZINC000812781552	631306786	/nfs/dbraw/zinc/30/67/86/631306786.db2.gz	ZHFGMAOTAPKHPL-MRXNPFEDSA-N	-1	0	297.379	3.201	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCC#N	ZINC000813057535	631343036	/nfs/dbraw/zinc/34/30/36/631343036.db2.gz	MEOXMBYMQTXVGF-ZDUSSCGKSA-N	-1	0	293.326	3.062	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccccc2)c1Cl	ZINC000814684100	631622288	/nfs/dbraw/zinc/62/22/88/631622288.db2.gz	DFXAAVZHAZFXTK-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ncccc2Cl)CC[C@@H]1C(=O)[O-]	ZINC000814810501	631646207	/nfs/dbraw/zinc/64/62/07/631646207.db2.gz	OKZBVBDZNIAALX-SCZZXKLOSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cccc(C2CC2)c1	ZINC000814813584	631647059	/nfs/dbraw/zinc/64/70/59/631647059.db2.gz	GGDZVNWPSCXOCP-UHFFFAOYSA-N	-1	0	292.346	3.066	20	30		CGEDRM
CC(C)CON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814883924	631663901	/nfs/dbraw/zinc/66/39/01/631663901.db2.gz	HVISQCQKJHGONG-GHMZBOCLSA-N	-1	0	255.358	3.172	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NOCc1ccc(F)cc1	ZINC000814903351	631673063	/nfs/dbraw/zinc/67/30/63/631673063.db2.gz	FOIUHYMBQIWEEM-JQWIXIFHSA-N	-1	0	279.311	3.219	20	30		CGEDRM
C[C@H]1C(=NNC2CCCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814910118	631678295	/nfs/dbraw/zinc/67/82/95/631678295.db2.gz	RALJHWIUWYNNPU-AAEUAGOBSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1C(=NN[C@H]2CCCCC2(C)C)CC[C@@H]1CC(=O)[O-]	ZINC000814917067	631681192	/nfs/dbraw/zinc/68/11/92/631681192.db2.gz	HIQZEXRKSWWSKC-SCRDCRAPSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCC1(C)CCCC1	ZINC000814937317	631691508	/nfs/dbraw/zinc/69/15/08/631691508.db2.gz	BTNMCMHXNWTUGH-UHFFFAOYSA-N	-1	0	266.385	3.177	20	30		CGEDRM
C[C@@H]1C(=NNCC2(C)CCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814937792	631691537	/nfs/dbraw/zinc/69/15/37/631691537.db2.gz	PMJCYLJOOVQCLN-RYUDHWBXSA-N	-1	0	266.385	3.033	20	30		CGEDRM
C[C@H]1C(=NNCC2(C)CCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814937789	631691600	/nfs/dbraw/zinc/69/16/00/631691600.db2.gz	PMJCYLJOOVQCLN-NEPJUHHUSA-N	-1	0	266.385	3.033	20	30		CGEDRM
O=C([O-])CNN=Cc1ccc(-c2cccc(Cl)c2)s1	ZINC000814956547	631698094	/nfs/dbraw/zinc/69/80/94/631698094.db2.gz	DCFPTKSRAPOUNK-UHFFFAOYSA-N	-1	0	294.763	3.077	20	30		CGEDRM
O=C([O-])CNN=Cc1ccc(-c2ccc(Cl)cc2)s1	ZINC000814959238	631698176	/nfs/dbraw/zinc/69/81/76/631698176.db2.gz	WBTIDSHHNQRSJC-UHFFFAOYSA-N	-1	0	294.763	3.077	20	30		CGEDRM
CC(C)N(CCC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000816491270	631991922	/nfs/dbraw/zinc/99/19/22/631991922.db2.gz	GLWQNMOIKILZQX-UHFFFAOYSA-N	-1	0	270.735	3.309	20	30		CGEDRM
C=CCC1(C(=O)[N-]O[C@@H]2CCCCO2)CCCCC1	ZINC000822924419	633039508	/nfs/dbraw/zinc/03/95/08/633039508.db2.gz	JKCNITCOBGLHNJ-CYBMUJFWSA-N	-1	0	267.369	3.087	20	30		CGEDRM
C[C@@H](N[C@@H]1CCCC1(F)F)c1cccc(C#N)c1[O-]	ZINC000866356180	633096774	/nfs/dbraw/zinc/09/67/74/633096774.db2.gz	JVCLZMTYWCTPIJ-BXKDBHETSA-N	-1	0	266.291	3.102	20	30		CGEDRM
N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000826861301	633437817	/nfs/dbraw/zinc/43/78/17/633437817.db2.gz	DRIGMOJRGSQFAS-JTQLQIEISA-N	-1	0	282.746	3.310	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cscc1Cl	ZINC000870134181	633535279	/nfs/dbraw/zinc/53/52/79/633535279.db2.gz	JBNSVMXCWHKYLT-SECBINFHSA-N	-1	0	298.795	3.030	20	30		CGEDRM
C#Cc1cccc(N(CC)C(=O)c2c([O-])cccc2F)c1	ZINC000123183245	633599586	/nfs/dbraw/zinc/59/95/86/633599586.db2.gz	NVSVFQDBLQUOEO-UHFFFAOYSA-N	-1	0	283.302	3.179	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCCC[C@H]1C	ZINC000834966246	634296547	/nfs/dbraw/zinc/29/65/47/634296547.db2.gz	FNZRYSDMGDEFQZ-ZWNOBZJWSA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(N=N[C@H](C)C(F)(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000834998422	634306122	/nfs/dbraw/zinc/30/61/22/634306122.db2.gz	HCIUHKOKLPIXIK-PSASIEDQSA-N	-1	0	282.306	3.184	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)[C@@H](C)C1	ZINC000835006768	634311904	/nfs/dbraw/zinc/31/19/04/634311904.db2.gz	ISZIXMPOGMCMIY-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCCC2CCOCC2)cc1F	ZINC000835009031	634313635	/nfs/dbraw/zinc/31/36/35/634313635.db2.gz	MTOMLSXZEIVNDG-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC(C)(C)C#CC(=O)Nc1cccc(Cl)c1[O-]	ZINC000837496979	634920736	/nfs/dbraw/zinc/92/07/36/634920736.db2.gz	LXLRUYQHDLEVDI-UHFFFAOYSA-N	-1	0	251.713	3.034	20	30		CGEDRM
CC[C@H](NN=C1CC[C@H](c2cccc(Cl)c2)C1)C(=O)[O-]	ZINC000841642491	635206362	/nfs/dbraw/zinc/20/63/62/635206362.db2.gz	SJYVLIHBEMAAOY-FZMZJTMJSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CCCON=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000842550912	635401506	/nfs/dbraw/zinc/40/15/06/635401506.db2.gz	MCPZAAFFLUTWDV-UHFFFAOYSA-N	-1	0	279.336	3.081	20	30		CGEDRM
CCCON=C(C)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000842550535	635401536	/nfs/dbraw/zinc/40/15/36/635401536.db2.gz	HOISNBMIOYJCAO-ZDUSSCGKSA-N	-1	0	293.363	3.274	20	30		CGEDRM
N#CC(C(=O)C1(F)CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835160	636105429	/nfs/dbraw/zinc/10/54/29/636105429.db2.gz	ZVRMBLYLBBFWOL-JTQLQIEISA-N	-1	0	291.347	3.021	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Sc1ccccc1Cl	ZINC000846538661	636195345	/nfs/dbraw/zinc/19/53/45/636195345.db2.gz	SHTREJZNZWBKKE-SNVBAGLBSA-N	-1	0	285.796	3.445	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(OC)cc2)CCCC1	ZINC000846539734	636196317	/nfs/dbraw/zinc/19/63/17/636196317.db2.gz	MAKWPFLWSCUTLA-UHFFFAOYSA-N	-1	0	289.375	3.131	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc(CC)cc1	ZINC000846547539	636199408	/nfs/dbraw/zinc/19/94/08/636199408.db2.gz	OXMCLWOVQZBFJF-LBPRGKRZSA-N	-1	0	261.365	3.149	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	ZINC000846552465	636200837	/nfs/dbraw/zinc/20/08/37/636200837.db2.gz	IKWNIHRRLHYCNL-GZMMTYOYSA-N	-1	0	291.244	3.338	20	30		CGEDRM
Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000214040202	636520612	/nfs/dbraw/zinc/52/06/12/636520612.db2.gz	JPPHFYVLQWGUHT-TWGQIWQCSA-N	-1	0	254.285	3.302	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CS1	ZINC000848414351	636570434	/nfs/dbraw/zinc/57/04/34/636570434.db2.gz	MQIMNFRJIYQYJG-CQSZACIVSA-N	-1	0	292.404	3.243	20	30		CGEDRM
CC#Cc1cccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])c1	ZINC000849476285	636826920	/nfs/dbraw/zinc/82/69/20/636826920.db2.gz	PNAXAWBYLRBVSW-UHFFFAOYSA-N	-1	0	282.343	3.375	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(F)c2)s1	ZINC000007333323	636997160	/nfs/dbraw/zinc/99/71/60/636997160.db2.gz	YAGJKOHAHCGBQQ-SNAWJCMRSA-N	-1	0	276.288	3.482	20	30		CGEDRM
O=C([O-])c1cc(N=NC[C@@H]2C[C@H]3C[C@H]3C2)ccc1Cl	ZINC000853258273	637796237	/nfs/dbraw/zinc/79/62/37/637796237.db2.gz	MKTPBTODOHZCDK-ILWJIGKKSA-N	-1	0	278.739	3.482	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(Cl)cn2)CC[C@H]1CC(=O)[O-]	ZINC000853436499	637841333	/nfs/dbraw/zinc/84/13/33/637841333.db2.gz	YFZUVYQKLGOAHJ-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(C(F)(F)F)CCCCC1	ZINC000855028374	638135820	/nfs/dbraw/zinc/13/58/20/638135820.db2.gz	UDUNQUSPGXCNBP-SECBINFHSA-N	-1	0	265.275	3.122	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048495534	640055979	/nfs/dbraw/zinc/05/59/79/640055979.db2.gz	WRQXLWGEHFSKIA-QMMMGPOBSA-N	-1	0	275.757	3.031	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077880056	640265679	/nfs/dbraw/zinc/26/56/79/640265679.db2.gz	OEMNCJMGLVBGDL-LLVKDONJSA-N	-1	0	269.366	3.080	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000078323540	640301744	/nfs/dbraw/zinc/30/17/44/640301744.db2.gz	BXTUUTJCKNFZNY-NSHDSACASA-N	-1	0	283.393	3.385	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000080667464	640497100	/nfs/dbraw/zinc/49/71/00/640497100.db2.gz	SPHIZSNURWSIIN-JTQLQIEISA-N	-1	0	287.356	3.216	20	30		CGEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1	ZINC000119933238	641044432	/nfs/dbraw/zinc/04/44/32/641044432.db2.gz	RTFJOYQSDSSFKM-MRXNPFEDSA-N	-1	0	298.386	3.020	20	30		CGEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000119985059	641044728	/nfs/dbraw/zinc/04/47/28/641044728.db2.gz	NWOJPSVTFCYQDY-UHFFFAOYSA-N	-1	0	297.420	3.242	20	30		CGEDRM
CCCCN(CC#N)Cc1cc([O-])c(Cl)c(F)c1F	ZINC001250411435	805600250	/nfs/dbraw/zinc/60/02/50/805600250.db2.gz	YYNNYFGMMHAPRU-UHFFFAOYSA-N	-1	0	288.725	3.449	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1	ZINC001251712380	805923754	/nfs/dbraw/zinc/92/37/54/805923754.db2.gz	KUIPJIAOGFLVCE-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1C#N	ZINC001211657765	814927639	/nfs/dbraw/zinc/92/76/39/814927639.db2.gz	YUQSITSPNQOUJG-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#CCCCCCCc1cn(-c2ccccc2C(=O)[O-])nn1	ZINC001254098739	806341408	/nfs/dbraw/zinc/34/14/08/806341408.db2.gz	NTMSZFCDSRUBPL-UHFFFAOYSA-N	-1	0	297.358	3.092	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791570	798940566	/nfs/dbraw/zinc/94/05/66/798940566.db2.gz	JGCJNXBZWFMAMU-UHFFFAOYSA-N	-1	0	287.768	3.093	20	30		CGEDRM
CCCCCCCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000128225762	799018132	/nfs/dbraw/zinc/01/81/32/799018132.db2.gz	OFKYZZNQCGXQGC-UHFFFAOYSA-N	-1	0	287.367	3.232	20	30		CGEDRM
C#C[C@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000378660666	799342584	/nfs/dbraw/zinc/34/25/84/799342584.db2.gz	GVIQOZCMULQUFE-INIZCTEOSA-N	-1	0	266.296	3.276	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC000398071538	799525794	/nfs/dbraw/zinc/52/57/94/799525794.db2.gz	GWXFCUUONUSDFW-CJNGLKHVSA-N	-1	0	296.411	3.018	20	30		CGEDRM
Cc1ncsc1C=CC(=O)c1sccc1[O-]	ZINC000588598765	799719942	/nfs/dbraw/zinc/71/99/42/799719942.db2.gz	ADWSAFYMIHOPAV-IHWYPQMZSA-N	-1	0	251.332	3.115	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)oc1C	ZINC000809156027	800413501	/nfs/dbraw/zinc/41/35/01/800413501.db2.gz	CFHHFVKJFJQRPA-XQRVVYSFSA-N	-1	0	286.283	3.196	20	30		CGEDRM
CCCCCCC[C@H](CCC)N[C@@H]1SC(=O)[N-]C1=O	ZINC001172501391	808357896	/nfs/dbraw/zinc/35/78/96/808357896.db2.gz	HFJXGYFADCRKDZ-WCQYABFASA-N	-1	0	286.441	3.414	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccccc1Cl	ZINC001117742639	802484535	/nfs/dbraw/zinc/48/45/35/802484535.db2.gz	SZTAKXPCKXARTF-QWRGUYRKSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1	ZINC001122650958	802878162	/nfs/dbraw/zinc/87/81/62/802878162.db2.gz	VWLMRUQNFACMGW-GFCCVEGCSA-N	-1	0	297.333	3.403	20	30		CGEDRM
C=CCNC(=O)c1cccnc1-c1c([O-])cccc1Cl	ZINC001244034463	803153099	/nfs/dbraw/zinc/15/30/99/803153099.db2.gz	JUZARGQTGUKRRQ-UHFFFAOYSA-N	-1	0	288.734	3.023	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(C(C)(C)C#N)nc2)c1	ZINC001244173482	803223864	/nfs/dbraw/zinc/22/38/64/803223864.db2.gz	VGKPAHDKVOYSPL-UHFFFAOYSA-N	-1	0	296.326	3.257	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(CCC(=O)[O-])cc2)n1	ZINC001244186173	803232697	/nfs/dbraw/zinc/23/26/97/803232697.db2.gz	IZROXAJWKUWCRP-UHFFFAOYSA-N	-1	0	280.327	3.254	20	30		CGEDRM
CCc1nc(C#N)cc(-c2cc(F)c([O-])c(Cl)c2)n1	ZINC001244500778	803405832	/nfs/dbraw/zinc/40/58/32/803405832.db2.gz	RKMSHYLCBQKQJY-UHFFFAOYSA-N	-1	0	277.686	3.076	20	30		CGEDRM
N#CCc1cncc(-c2ccc(Cl)c([O-])c2F)c1	ZINC001244632851	803476150	/nfs/dbraw/zinc/47/61/50/803476150.db2.gz	ODQXRQPYHUDXNC-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
O=C([O-])c1cc(-c2cccc(CS)c2)cnc1F	ZINC001244755280	803520482	/nfs/dbraw/zinc/52/04/82/803520482.db2.gz	GWIHNRHTSNBWSB-UHFFFAOYSA-N	-1	0	263.293	3.016	20	30		CGEDRM
[O-]N=Cc1ccccc1-c1cnc(Br)s1	ZINC001244907929	803570964	/nfs/dbraw/zinc/57/09/64/803570964.db2.gz	VTSSNWSVUQZWFG-UHFFFAOYSA-N	-1	0	283.150	3.381	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245316225	803698288	/nfs/dbraw/zinc/69/82/88/803698288.db2.gz	JCTRWRNYEOPPFJ-UHFFFAOYSA-N	-1	0	299.301	3.194	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245316702	803698997	/nfs/dbraw/zinc/69/89/97/803698997.db2.gz	OYFUMCMBRSZHPY-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
COc1cc(-c2cc(CC(=O)[O-])ccc2F)ccc1CC#N	ZINC001245318152	803699352	/nfs/dbraw/zinc/69/93/52/803699352.db2.gz	BPNUKMWDFZCQAB-UHFFFAOYSA-N	-1	0	299.301	3.194	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211969510	814962532	/nfs/dbraw/zinc/96/25/32/814962532.db2.gz	NJESIWQRLXHIRA-UHFFFAOYSA-N	-1	0	287.706	3.236	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1c([O-])cccc1F	ZINC001245654804	803886911	/nfs/dbraw/zinc/88/69/11/803886911.db2.gz	QBQYHZZLFFRZEN-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1cnc(-c2cc(Cl)c([O-])cc2F)c(F)c1	ZINC001245669105	803899315	/nfs/dbraw/zinc/89/93/15/803899315.db2.gz	LGZGDKYSBXLBJX-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2c(F)ccc(CO)c2F)cc1F	ZINC001245852635	803997428	/nfs/dbraw/zinc/99/74/28/803997428.db2.gz	PZCUASKKLKJVQW-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3ccc(F)cc3)cc2=O)c1	ZINC001245918674	804046772	/nfs/dbraw/zinc/04/67/72/804046772.db2.gz	WWORIKAFNHMPNS-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3cccc(F)c3F)[n-]2)c1	ZINC001245937031	804066858	/nfs/dbraw/zinc/06/68/58/804066858.db2.gz	IDCJUDQZNFWVPS-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#CCN(Cc1ccccc1)Cc1c([O-])cc(F)cc1F	ZINC001140583544	804466078	/nfs/dbraw/zinc/46/60/78/804466078.db2.gz	KPATUEVSNNJUPC-UHFFFAOYSA-N	-1	0	288.297	3.196	20	30		CGEDRM
CCN(CCC#N)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140832155	804531759	/nfs/dbraw/zinc/53/17/59/804531759.db2.gz	BFTFKQNWGHXNDP-UHFFFAOYSA-N	-1	0	273.163	3.435	20	30		CGEDRM
C[C@H](C#N)N(C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC001141360926	804634376	/nfs/dbraw/zinc/63/43/76/804634376.db2.gz	RSZACDQTYMVPGG-CYBMUJFWSA-N	-1	0	294.354	3.396	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](c1ccncc1)C1CCCCC1	ZINC001144640142	805019330	/nfs/dbraw/zinc/01/93/30/805019330.db2.gz	LPZITRXZKUVVQJ-INIZCTEOSA-N	-1	0	288.391	3.369	20	30		CGEDRM
CCCCN(CCC#N)Cc1cc(F)c(O)cc1F	ZINC001144665675	805028458	/nfs/dbraw/zinc/02/84/58/805028458.db2.gz	CTJQYYADVVEVMR-UHFFFAOYSA-N	-1	0	268.307	3.186	20	30		CGEDRM
C[Si](C)(C)C#CCCNC(=O)c1cccc(Cl)c1[O-]	ZINC001146811083	805090384	/nfs/dbraw/zinc/09/03/84/805090384.db2.gz	VYMNBFAOMWKMTM-UHFFFAOYSA-N	-1	0	295.842	3.046	20	30		CGEDRM
COc1cccc(C(=O)Nc2ccc([C@H](C)C#N)cc2)c1O	ZINC001148201685	805167760	/nfs/dbraw/zinc/16/77/60/805167760.db2.gz	CYAOPDBRCJVGHZ-LLVKDONJSA-N	-1	0	296.326	3.280	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CCC[C@H]1C#N	ZINC001249688426	805213598	/nfs/dbraw/zinc/21/35/98/805213598.db2.gz	UGLYWCJRYUAMTK-JTQLQIEISA-N	-1	0	277.418	3.093	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(N)cc1Cl	ZINC001249730298	805227868	/nfs/dbraw/zinc/22/78/68/805227868.db2.gz	COTCJOVKRKOBES-UHFFFAOYSA-N	-1	0	265.725	3.305	20	30		CGEDRM
N#Cc1ccc(Nc2cccc([O-])c2F)c(C#N)c1	ZINC001212553340	815065246	/nfs/dbraw/zinc/06/52/46/815065246.db2.gz	OLGYACVYEWWQSR-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
N#Cc1cc(Nc2cc([O-])c(F)c(F)c2F)ccc1O	ZINC001249964754	805331987	/nfs/dbraw/zinc/33/19/87/805331987.db2.gz	LSLICLLRWZQTKU-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#Cc1ccccc1Cc1ccc(CCC(=O)[O-])cc1	ZINC001250047768	805386707	/nfs/dbraw/zinc/38/67/07/805386707.db2.gz	UDQQQYWQABOSOC-UHFFFAOYSA-N	-1	0	265.312	3.166	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)c(C)cc1CO	ZINC001250059389	805395749	/nfs/dbraw/zinc/39/57/49/805395749.db2.gz	RWKPIFLAJVWKCA-UHFFFAOYSA-N	-1	0	274.345	3.178	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1ccc(Cl)c([O-])c1	ZINC001212590318	815078660	/nfs/dbraw/zinc/07/86/60/815078660.db2.gz	GRNZTLLEPKTMGT-UHFFFAOYSA-N	-1	0	276.727	3.438	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(Cn2ccnc2)cc1	ZINC001212694231	815105664	/nfs/dbraw/zinc/10/56/64/815105664.db2.gz	PSDRXDYGMLFDTJ-UHFFFAOYSA-N	-1	0	296.355	3.314	20	30		CGEDRM
COc1ccc(Nc2cc([O-])c(F)c(F)c2)c(C#N)c1	ZINC001212784300	815136992	/nfs/dbraw/zinc/13/69/92/815136992.db2.gz	JRMKQFTXYKPPMD-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C#N)c1	ZINC001212785235	815137874	/nfs/dbraw/zinc/13/78/74/815137874.db2.gz	JUDHVRCBKDWLMP-UHFFFAOYSA-N	-1	0	283.262	3.027	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)s1	ZINC001260678641	807699095	/nfs/dbraw/zinc/69/90/95/807699095.db2.gz	FFGAWXTWSPINES-UHFFFAOYSA-N	-1	0	298.414	3.099	20	30		CGEDRM
COc1ccc(F)cc1Nc1scc([O-])c1C#N	ZINC001173955337	808783269	/nfs/dbraw/zinc/78/32/69/808783269.db2.gz	KJOHXOYDBMEYON-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc(C(=O)[O-])s1	ZINC001174807884	809167507	/nfs/dbraw/zinc/16/75/07/809167507.db2.gz	LASOEZJKUMLYRO-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cccc(C#N)c1	ZINC001174981392	809223883	/nfs/dbraw/zinc/22/38/83/809223883.db2.gz	CNQNMFPSXJDLPZ-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175160180	809292945	/nfs/dbraw/zinc/29/29/45/809292945.db2.gz	LUVUHTIJQDETDE-UHFFFAOYSA-N	-1	0	285.278	3.181	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001175162280	809294303	/nfs/dbraw/zinc/29/43/03/809294303.db2.gz	RBKGTVXJDPFTJE-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175330363	809358670	/nfs/dbraw/zinc/35/86/70/809358670.db2.gz	FPOAODPJRLRXMU-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
C=CC(C)(C)CNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC001297826681	809524191	/nfs/dbraw/zinc/52/41/91/809524191.db2.gz	QWAZXAFILQIXLP-UHFFFAOYSA-N	-1	0	287.281	3.353	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	ZINC001300219743	809564363	/nfs/dbraw/zinc/56/43/63/809564363.db2.gz	LMUYJTUFZUOTLK-QLFBSQMISA-N	-1	0	283.412	3.088	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc2ccccc2c1	ZINC001301633496	809585002	/nfs/dbraw/zinc/58/50/02/809585002.db2.gz	YYGGEZIRODILOZ-ZDUSSCGKSA-N	-1	0	285.343	3.231	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)CCC2=O	ZINC001176230628	809651979	/nfs/dbraw/zinc/65/19/79/809651979.db2.gz	OTMKWUKBTALINS-UHFFFAOYSA-N	-1	0	270.313	3.198	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cncc(C2CC2)c1	ZINC001176282975	809660032	/nfs/dbraw/zinc/66/00/32/809660032.db2.gz	FDKUGGILHJJNSS-UHFFFAOYSA-N	-1	0	257.318	3.341	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)s1	ZINC001213625458	815312741	/nfs/dbraw/zinc/31/27/41/815312741.db2.gz	BBVGKGFRODNPIU-UHFFFAOYSA-N	-1	0	272.329	3.381	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176587125	809724623	/nfs/dbraw/zinc/72/46/23/809724623.db2.gz	SHTRPLLJOCZJNZ-UHFFFAOYSA-N	-1	0	278.311	3.418	20	30		CGEDRM
COc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001176592932	809726677	/nfs/dbraw/zinc/72/66/77/809726677.db2.gz	QQRVESGEUZWIEE-RUDMXATFSA-N	-1	0	294.310	3.408	20	30		CGEDRM
C#CCC1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCC1	ZINC001178552381	809875379	/nfs/dbraw/zinc/87/53/79/809875379.db2.gz	SAVMSFDSEYPLEB-UHFFFAOYSA-N	-1	0	297.276	3.087	20	30		CGEDRM
C=C(CC(=O)OCCCC)C(=O)Nc1ccccc1[S-]	ZINC001184310494	810190819	/nfs/dbraw/zinc/19/08/19/810190819.db2.gz	OAQOWWOWSGXGTJ-UHFFFAOYSA-N	-1	0	293.388	3.203	20	30		CGEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccco1	ZINC001186855940	810365761	/nfs/dbraw/zinc/36/57/61/810365761.db2.gz	KBJXASQTYSHSFQ-UHFFFAOYSA-N	-1	0	263.318	3.114	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cnccc1C#N	ZINC001187993191	810439747	/nfs/dbraw/zinc/43/97/47/810439747.db2.gz	MRMZFQQUFLCIAK-UHFFFAOYSA-N	-1	0	295.408	3.055	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cc(C)on1	ZINC001187992548	810440158	/nfs/dbraw/zinc/44/01/58/810440158.db2.gz	OYUXZHFCIFRKAY-UHFFFAOYSA-N	-1	0	274.386	3.085	20	30		CGEDRM
N#Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccoc1	ZINC001188606689	810493166	/nfs/dbraw/zinc/49/31/66/810493166.db2.gz	MLCNBQZXWZUCIV-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
C=C(C)CNC(=O)c1cc(Br)ccc1[S-]	ZINC001189960974	810599580	/nfs/dbraw/zinc/59/95/80/810599580.db2.gz	FDLKISDNZSOYMU-UHFFFAOYSA-N	-1	0	286.194	3.044	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccsc1C#N	ZINC001214270633	815392417	/nfs/dbraw/zinc/39/24/17/815392417.db2.gz	HKDVZCKVLDPDIQ-UHFFFAOYSA-N	-1	0	288.328	3.460	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(Cl)c([O-])c2F)n1	ZINC001214793888	815452738	/nfs/dbraw/zinc/45/27/38/815452738.db2.gz	PCGCHXYNCFGTIU-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1nc(C#N)c(Nc2ccc(Cl)c([O-])c2F)o1	ZINC001214796456	815453364	/nfs/dbraw/zinc/45/33/64/815453364.db2.gz	WTPKXPCJVZHQRU-UHFFFAOYSA-N	-1	0	267.647	3.096	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214803648	815454308	/nfs/dbraw/zinc/45/43/08/815454308.db2.gz	AWCSZXFEYRXNQP-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc(C3CCC3)nc2)ccc1O	ZINC001199287081	811570388	/nfs/dbraw/zinc/57/03/88/811570388.db2.gz	MLNJRSZMOSPPIX-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
N#Cc1cccc(Cl)c1Nc1cc(C(=O)[O-])cnc1F	ZINC001215129936	815486663	/nfs/dbraw/zinc/48/66/63/815486663.db2.gz	HSIHOHOZUKCCMO-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001202433118	812093035	/nfs/dbraw/zinc/09/30/35/812093035.db2.gz	WDBKLCIGPCNFRF-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccsc1C(=O)[O-]	ZINC001215398138	815516766	/nfs/dbraw/zinc/51/67/66/815516766.db2.gz	ZUHGNNRSXMAQNR-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1oc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c(C#N)c1C	ZINC001215459692	815521407	/nfs/dbraw/zinc/52/14/07/815521407.db2.gz	VYVZUXVKNSYXJT-UHFFFAOYSA-N	-1	0	292.241	3.488	20	30		CGEDRM
N#Cc1sccc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215459324	815521609	/nfs/dbraw/zinc/52/16/09/815521609.db2.gz	IBVWQBMUNCJPFQ-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1cc(F)cc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1	ZINC001204642821	812699317	/nfs/dbraw/zinc/69/93/17/812699317.db2.gz	ICBFYZHEMBOPGL-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001215616236	815548297	/nfs/dbraw/zinc/54/82/97/815548297.db2.gz	OGFJKQWPKUVVNF-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#CCc1ccc(-c2ccsc2C(=O)[O-])cc1F	ZINC001205572776	813010045	/nfs/dbraw/zinc/01/00/45/813010045.db2.gz	NNNLPUDOUBVFER-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1O	ZINC001215743384	815572848	/nfs/dbraw/zinc/57/28/48/815572848.db2.gz	VKTZBUNDBKLULC-UHFFFAOYSA-N	-1	0	276.242	3.300	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(F)c(F)c(C(=O)[O-])c2)n1	ZINC001205990592	813153969	/nfs/dbraw/zinc/15/39/69/813153969.db2.gz	RVJGDFCPDIXDBG-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
CCOCc1cncc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001215790742	815593759	/nfs/dbraw/zinc/59/37/59/815593759.db2.gz	CKAPSZRWSOAFIF-UHFFFAOYSA-N	-1	0	287.294	3.078	20	30		CGEDRM
N#CCc1c(F)cccc1-c1csc(C(=O)[O-])c1	ZINC001206303178	813278971	/nfs/dbraw/zinc/27/89/71/813278971.db2.gz	GBDWVBDEHWQBDP-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(OC)c(C(=O)[O-])c1	ZINC001209902198	814194318	/nfs/dbraw/zinc/19/43/18/814194318.db2.gz	HRGXAZIFXUFAOB-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccc(OC)c(C(=O)[O-])c2)c1	ZINC001209902548	814194386	/nfs/dbraw/zinc/19/43/86/814194386.db2.gz	DMTHMFGFXZFJDX-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1nsc(Nc2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001210005667	814238292	/nfs/dbraw/zinc/23/82/92/814238292.db2.gz	OEVWDOSSLZOQLF-UHFFFAOYSA-N	-1	0	291.307	3.213	20	30		CGEDRM
N#Cc1c(Nc2cccc(CC(=O)[O-])c2)sc2c1CCC2	ZINC001210068229	814272223	/nfs/dbraw/zinc/27/22/23/814272223.db2.gz	OCTHFSBMVPTXNQ-UHFFFAOYSA-N	-1	0	298.367	3.479	20	30		CGEDRM
N#CCc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1	ZINC001210240823	814360445	/nfs/dbraw/zinc/36/04/45/814360445.db2.gz	IBVRQTDGTZCEBC-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cccc(C#N)c1	ZINC001210254445	814367556	/nfs/dbraw/zinc/36/75/56/814367556.db2.gz	IRBYYIYOCPDZRB-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC001210394616	814442228	/nfs/dbraw/zinc/44/22/28/814442228.db2.gz	CWUNEJIEMBNOBY-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
Cc1cc(-c2noc(-c3cccc(F)c3[O-])n2)ccc1C#N	ZINC001215862780	815617451	/nfs/dbraw/zinc/61/74/51/815617451.db2.gz	DKJSWRBDZRFYDM-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2OC)cc1F	ZINC001211040627	814716190	/nfs/dbraw/zinc/71/61/90/814716190.db2.gz	YKZVKNRRVPSDFF-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001211545438	814905761	/nfs/dbraw/zinc/90/57/61/814905761.db2.gz	ZQCJIPXSUGESDQ-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1ccc(Nc2c(C#N)cccc2C#N)cc1C(=O)[O-]	ZINC001211601650	814916051	/nfs/dbraw/zinc/91/60/51/814916051.db2.gz	CSAWNBSCHAJDDZ-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)ccc2F)cc1C(=O)[O-]	ZINC001211604193	814916744	/nfs/dbraw/zinc/91/67/44/814916744.db2.gz	UCVDKUMLDUUTCI-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cccc(Nc2ccc(C)c(C(=O)[O-])c2)c1C#N	ZINC001211606274	814917014	/nfs/dbraw/zinc/91/70/14/814917014.db2.gz	KVARJYJYBCPGDG-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1C#N	ZINC001211623040	814919638	/nfs/dbraw/zinc/91/96/38/814919638.db2.gz	VMDBTKAFSMJQSQ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)nc1	ZINC001215916672	815628796	/nfs/dbraw/zinc/62/87/96/815628796.db2.gz	LYAXPUIBZARAKK-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
COc1nccc(SC)c1Nc1scc([O-])c1C#N	ZINC001215927221	815633349	/nfs/dbraw/zinc/63/33/49/815633349.db2.gz	FQJDRRSHJMDHDV-UHFFFAOYSA-N	-1	0	293.373	3.194	20	30		CGEDRM
COCc1cc(OC)ccc1Nc1scc([O-])c1C#N	ZINC001215977396	815649231	/nfs/dbraw/zinc/64/92/31/815649231.db2.gz	HNJJUIYTNPYPGI-UHFFFAOYSA-N	-1	0	290.344	3.224	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc([S-])c1)CCC2	ZINC001242865118	823157772	/nfs/dbraw/zinc/15/77/72/823157772.db2.gz	VHDFJQBDZYZFQS-UHFFFAOYSA-N	-1	0	252.342	3.398	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cccc([S-])c3)c12	ZINC001242867291	823158830	/nfs/dbraw/zinc/15/88/30/823158830.db2.gz	NWJSEANDVPPHHJ-UHFFFAOYSA-N	-1	0	251.314	3.390	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)c1	ZINC001222690320	816500470	/nfs/dbraw/zinc/50/04/70/816500470.db2.gz	GABISTUSIMTWAQ-UHFFFAOYSA-N	-1	0	288.306	3.213	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ncccc1F	ZINC001223889409	816697859	/nfs/dbraw/zinc/69/78/59/816697859.db2.gz	FCTCHGAYFSDPHD-SCRAEEPHSA-N	-1	0	296.248	3.413	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CC[C@H](C)C2)c1	ZINC001223893434	816698814	/nfs/dbraw/zinc/69/88/14/816698814.db2.gz	VFVKYWJLQIMQBR-HFTKJAJQSA-N	-1	0	279.336	3.045	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCCC[C@@H]2F)c1	ZINC001223891923	816699131	/nfs/dbraw/zinc/69/91/31/816699131.db2.gz	WADIFLNYOKYFHV-WGPYCZSNSA-N	-1	0	297.326	3.137	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCC[P@@](=O)([O-])O	ZINC001225019244	816934290	/nfs/dbraw/zinc/93/42/90/816934290.db2.gz	VFGVKAGHDJIYMM-HZSPNIEDSA-N	-1	0	290.340	3.342	20	30		CGEDRM
C=CC[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])C(C)C	ZINC001225493213	817072940	/nfs/dbraw/zinc/07/29/40/817072940.db2.gz	BXZXGSDYGATPBE-LBPRGKRZSA-N	-1	0	251.282	3.280	20	30		CGEDRM
C=CC[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])C(C)C	ZINC001225625365	817117965	/nfs/dbraw/zinc/11/79/65/817117965.db2.gz	JMSWQCDQMVPDBO-LLVKDONJSA-N	-1	0	251.282	3.280	20	30		CGEDRM
C=C[C@@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225878700	817204577	/nfs/dbraw/zinc/20/45/77/817204577.db2.gz	FPARTOSYPBSIJO-YFKPBYRVSA-N	-1	0	250.191	3.292	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCC=CCCC1	ZINC001226009010	817247980	/nfs/dbraw/zinc/24/79/80/817247980.db2.gz	PVAPTRCCBABGIK-LLVKDONJSA-N	-1	0	262.284	3.066	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226014250	817249696	/nfs/dbraw/zinc/24/96/96/817249696.db2.gz	UNSFWDVYCVUOTD-RISCZKNCSA-N	-1	0	288.322	3.478	20	30		CGEDRM
COc1cccc([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c1	ZINC001226221730	817301861	/nfs/dbraw/zinc/30/18/61/817301861.db2.gz	QFADUXJYTLQECO-LLVKDONJSA-N	-1	0	284.315	3.116	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCC(=O)c3ccccc32)c1C#N	ZINC001226221722	817302445	/nfs/dbraw/zinc/30/24/45/817302445.db2.gz	QDUDFXUXDLVDCP-OAHLLOKOSA-N	-1	0	294.310	3.064	20	30		CGEDRM
C[C@@H](Oc1nc(C2CC2)ccc1C#N)C1=CC=C[CH]1	ZINC001226262973	817315679	/nfs/dbraw/zinc/31/56/79/817315679.db2.gz	YBJZKULTSCWDJU-LLVKDONJSA-N	-1	0	251.309	3.298	20	30		CGEDRM
C=CC[C@@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1	ZINC001226787479	817465131	/nfs/dbraw/zinc/46/51/31/817465131.db2.gz	YSSQZEIVUHMCIN-LLVKDONJSA-N	-1	0	298.371	3.338	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cccc(/C=N/O)c2)c1	ZINC001243178261	823275183	/nfs/dbraw/zinc/27/51/83/823275183.db2.gz	PUDSIDIDBCVDAJ-CXUHLZMHSA-N	-1	0	255.273	3.168	20	30		CGEDRM
COc1cccc(-c2ccc(C)c(C(=O)[O-])c2)c1C#N	ZINC001243196454	823285952	/nfs/dbraw/zinc/28/59/52/823285952.db2.gz	AMBHOXVZOTYTEX-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)nc2cccnc21)C(=C)C	ZINC001228005463	817781673	/nfs/dbraw/zinc/78/16/73/817781673.db2.gz	RVUVSORJYGTZGZ-GFCCVEGCSA-N	-1	0	271.320	3.020	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(C(=O)[O-])cc1C	ZINC001243203618	823289190	/nfs/dbraw/zinc/28/91/90/823289190.db2.gz	ZBKSVXYLPKZCHC-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(-c2nc3c(cc2C#N)CCC3)ccc1C(=O)[O-]	ZINC001243210754	823293757	/nfs/dbraw/zinc/29/37/57/823293757.db2.gz	BARKYRYENQFXKU-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
Cc1cc(-c2ccccc2OCC#N)ccc1C(=O)[O-]	ZINC001243215708	823296091	/nfs/dbraw/zinc/29/60/91/823296091.db2.gz	YIFJKRDVGXFXMO-UHFFFAOYSA-N	-1	0	267.284	3.263	20	30		CGEDRM
C#C[C@H](C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210595	818057768	/nfs/dbraw/zinc/05/77/68/818057768.db2.gz	TZRSLKGBXIPHLN-LBPRGKRZSA-N	-1	0	266.296	3.024	20	30		CGEDRM
N#CCc1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001243322718	823346841	/nfs/dbraw/zinc/34/68/41/823346841.db2.gz	FBEOMUJAGWIJEJ-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(Cl)cc(C(=O)[O-])c1)CCC2	ZINC001243323705	823348123	/nfs/dbraw/zinc/34/81/23/823348123.db2.gz	DCMPOYZALMATKB-UHFFFAOYSA-N	-1	0	298.729	3.461	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc([O-])c(F)c2F)n1	ZINC001243338421	823352477	/nfs/dbraw/zinc/35/24/77/823352477.db2.gz	JFWMYQNAXBLRTM-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234510663	818870749	/nfs/dbraw/zinc/87/07/49/818870749.db2.gz	DQCBSPSTWQMJGN-LBPRGKRZSA-N	-1	0	283.331	3.331	20	30		CGEDRM
C=CC[C@@H](C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234812483	818924235	/nfs/dbraw/zinc/92/42/35/818924235.db2.gz	JYFBOTIXPGUEOX-SECBINFHSA-N	-1	0	260.289	3.150	20	30		CGEDRM
Cc1nccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001235027634	818982871	/nfs/dbraw/zinc/98/28/71/818982871.db2.gz	DITOTTYCAKPTDE-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
Cc1ccc(-c2c(F)cc(F)c([O-])c2F)nc1C#N	ZINC001235985243	819258662	/nfs/dbraw/zinc/25/86/62/819258662.db2.gz	OHOCUMXDJGHMBS-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235985700	819261139	/nfs/dbraw/zinc/26/11/39/819261139.db2.gz	NQEAPECIFYGQCI-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2)ccc1CC#N	ZINC001236059991	819293848	/nfs/dbraw/zinc/29/38/48/819293848.db2.gz	DLLNKSJTZILVAA-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
Cc1ccc(F)c(-c2nc3c(cc2C#N)CCC3)c1[O-]	ZINC001236390404	819447661	/nfs/dbraw/zinc/44/76/61/819447661.db2.gz	KFMSSRLGOYHQMK-UHFFFAOYSA-N	-1	0	268.291	3.262	20	30		CGEDRM
N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237798755	819846240	/nfs/dbraw/zinc/84/62/40/819846240.db2.gz	MWEMHRJRCISIAQ-JTQLQIEISA-N	-1	0	282.746	3.310	20	30		CGEDRM
Cc1c([S-])ccc(-c2cnc(C#N)c(F)c2)c1F	ZINC001238992444	820185967	/nfs/dbraw/zinc/18/59/67/820185967.db2.gz	NHTZRJMTOWIRDI-UHFFFAOYSA-N	-1	0	262.284	3.496	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239255559	820241798	/nfs/dbraw/zinc/24/17/98/820241798.db2.gz	BKAZAKXJVUGKAS-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239352224	820286464	/nfs/dbraw/zinc/28/64/64/820286464.db2.gz	RFKIHNGZKUAXRP-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
Cn1nc(C(F)(F)F)cc1-c1cc(/C=N/[O-])ccc1F	ZINC001240290605	820939484	/nfs/dbraw/zinc/93/94/84/820939484.db2.gz	KKAGFAHWGXEHST-UBKPWBPPSA-N	-1	0	287.216	3.053	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240547473	821134027	/nfs/dbraw/zinc/13/40/27/821134027.db2.gz	VSBNGBIEBJAKLM-BQYQJAHWSA-N	-1	0	296.326	3.115	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2cc(F)ccc2[O-])n1	ZINC001240693480	821249775	/nfs/dbraw/zinc/24/97/75/821249775.db2.gz	SHUZZPQLKPBBOV-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(CC#N)c1	ZINC001240735458	821288387	/nfs/dbraw/zinc/28/83/87/821288387.db2.gz	ZCLZKNJWBBSXOK-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1cc(-c2cccc(CC#N)c2)ccc1C(=O)[O-]	ZINC001240743298	821294132	/nfs/dbraw/zinc/29/41/32/821294132.db2.gz	RKLJFFFNVNYVSC-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1cc(-c2cc(/C=N/O)ccc2F)ccc1C(=O)[O-]	ZINC001240745895	821296765	/nfs/dbraw/zinc/29/67/65/821296765.db2.gz	NJDBMBNRDKKZLI-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2ccc(C(=O)[O-])s2)[nH]1	ZINC001240847823	821368685	/nfs/dbraw/zinc/36/86/85/821368685.db2.gz	LFIOACYDHBLPAW-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(C(=O)[O-])s2)c1F	ZINC001240849921	821371669	/nfs/dbraw/zinc/37/16/69/821371669.db2.gz	UPRJDEWPZYQKCN-UHFFFAOYSA-N	-1	0	265.240	3.263	20	30		CGEDRM
C=C(C)c1cncc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240974148	821458118	/nfs/dbraw/zinc/45/81/18/821458118.db2.gz	UDCATEIPCZUORG-UHFFFAOYSA-N	-1	0	253.301	3.409	20	30		CGEDRM
COc1ccc(-c2ccc(CC(=O)[O-])cc2)c(CC#N)c1	ZINC001240975613	821458897	/nfs/dbraw/zinc/45/88/97/821458897.db2.gz	UADLFJLRKRKBRB-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2c(C#N)c[nH]c2n1	ZINC001240999534	821477482	/nfs/dbraw/zinc/47/74/82/821477482.db2.gz	OAZFXFLOFDTCCK-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
COC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2C)cc1C#N	ZINC001241000338	821478854	/nfs/dbraw/zinc/47/88/54/821478854.db2.gz	BQJGFVOLNGRBSR-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C#N)cc1C#N	ZINC001241002717	821481430	/nfs/dbraw/zinc/48/14/30/821481430.db2.gz	LHLRPGHQTKLWNK-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
N#Cc1cc(-c2cc([O-])cc(F)c2)nc(C(F)(F)F)c1	ZINC001241256301	821675508	/nfs/dbraw/zinc/67/55/08/821675508.db2.gz	PUZYIPSFVYJGFB-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1c(F)ccc([O-])c1F	ZINC001241295193	821714150	/nfs/dbraw/zinc/71/41/50/821714150.db2.gz	IJGMWWNBQYJRIA-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1	ZINC001241343499	821749235	/nfs/dbraw/zinc/74/92/35/821749235.db2.gz	DZWDQIBUHBGBGS-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
CO/N=C/c1cc(-c2cccc(C(=O)[O-])c2)cc(F)c1F	ZINC001241360795	821761883	/nfs/dbraw/zinc/76/18/83/821761883.db2.gz	KUZJKEFQFSNAIE-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cc(F)cc(C(=O)[O-])c1	ZINC001241817199	822159834	/nfs/dbraw/zinc/15/98/34/822159834.db2.gz	RGMYMFYJUULOAW-UHFFFAOYSA-N	-1	0	297.289	3.122	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(F)cc3[O-])nc2)CC1	ZINC001242215885	822913630	/nfs/dbraw/zinc/91/36/30/822913630.db2.gz	KMZFJLSOLVMCGW-UHFFFAOYSA-N	-1	0	254.264	3.148	20	30		CGEDRM
Cc1nc(-c2cccc(CC(=O)[O-])c2)c(C#N)c(C)c1C	ZINC001242262015	822929420	/nfs/dbraw/zinc/92/94/20/822929420.db2.gz	CGQUOFQGKNHWGA-UHFFFAOYSA-N	-1	0	280.327	3.173	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cccc(CC(=O)[O-])c3)ccc12	ZINC001242263475	822930287	/nfs/dbraw/zinc/93/02/87/822930287.db2.gz	GYFYZDXMUYWZPY-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
N#CCc1cc(F)cc(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242265516	822931000	/nfs/dbraw/zinc/93/10/00/822931000.db2.gz	HEJAFTBFUZLCOR-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1cccc(Cl)c1[O-]	ZINC001242365855	822969097	/nfs/dbraw/zinc/96/90/97/822969097.db2.gz	VAHYGUDPCASFOP-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#Cc1cc(-c2ncc(-c3ccccc3)cn2)ccc1[O-]	ZINC001242562762	823033120	/nfs/dbraw/zinc/03/31/20/823033120.db2.gz	KDQLJERGFXVNMF-UHFFFAOYSA-N	-1	0	273.295	3.388	20	30		CGEDRM
Cc1csc2cnc(-c3ccc([O-])c(C#N)c3)nc12	ZINC001242564310	823033862	/nfs/dbraw/zinc/03/38/62/823033862.db2.gz	VQWKSKUEAMPKTA-UHFFFAOYSA-N	-1	0	267.313	3.244	20	30		CGEDRM
Cn1ccnc1C(C#N)=C([O-])C(F)=CC1CCCCC1	ZINC001342924071	936484050	/nfs/dbraw/zinc/48/40/50/936484050.db2.gz	JLMUYDLZNXJJSL-VWLVURMCSA-N	-1	0	275.327	3.030	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C	ZINC001345806631	936825571	/nfs/dbraw/zinc/82/55/71/936825571.db2.gz	NDQORCLULCPRKT-KYEXWDHISA-N	-1	0	293.407	3.101	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001347188940	936873176	/nfs/dbraw/zinc/87/31/76/936873176.db2.gz	MNTLJVSDWQTIJP-NSHDSACASA-N	-1	0	272.279	3.256	20	30		CGEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1	ZINC000211716149	926735750	/nfs/dbraw/zinc/73/57/50/926735750.db2.gz	ODEZUHNIPBKPIE-XQRVVYSFSA-N	-1	0	275.285	3.258	20	30		CGEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000123525546	926937710	/nfs/dbraw/zinc/93/77/10/926937710.db2.gz	RXHJVFQLJPGBFA-UHFFFAOYSA-N	-1	0	297.420	3.160	20	30		CGEDRM
N#Cc1ccc2c(c1)CCN2C(=O)c1ccc([O-])c(Cl)c1	ZINC001451246697	937389707	/nfs/dbraw/zinc/38/97/07/937389707.db2.gz	GTUFSFQAYBMMGS-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ccc2C#N)C1	ZINC001228898243	932047123	/nfs/dbraw/zinc/04/71/23/932047123.db2.gz	DRWGTPCNUQZDSV-GXTWGEPZSA-N	-1	0	270.332	3.339	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H](c1ccccc1)C(F)(F)F	ZINC001228898807	932048059	/nfs/dbraw/zinc/04/80/59/932048059.db2.gz	MDMBURQZBPPANI-GFCCVEGCSA-N	-1	0	294.232	3.341	20	30		CGEDRM
CC1=C(Oc2cc([O-])c(Cl)cc2Cl)C(=O)[C@@H](C)O1	ZINC001229410604	932147092	/nfs/dbraw/zinc/14/70/92/932147092.db2.gz	KVZBWIMRDAMSGE-RXMQYKEDSA-N	-1	0	289.114	3.297	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc[n-]c(=O)c2Cl)O1	ZINC001230013157	932521441	/nfs/dbraw/zinc/52/14/41/932521441.db2.gz	FCLRYKUVJCKAFT-OTYXRUKQSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882558	932634873	/nfs/dbraw/zinc/63/48/73/932634873.db2.gz	GQGHAZACKHBWNB-MRVPVSSYSA-N	-1	0	296.367	3.340	20	30		CGEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230887309	932636630	/nfs/dbraw/zinc/63/66/30/932636630.db2.gz	IEILHIMXHORYQR-UHFFFAOYSA-N	-1	0	274.295	3.374	20	30		CGEDRM
C[C@@H](Oc1ccnc(Br)c1C#N)C1=CC=C[CH]1	ZINC001234427357	932685894	/nfs/dbraw/zinc/68/58/94/932685894.db2.gz	XITZGDJXMDTSIZ-SECBINFHSA-N	-1	0	290.140	3.184	20	30		CGEDRM
CC[C@@](C)(C#N)NC(=S)[N-]c1ccccc1SC	ZINC001249712555	932717715	/nfs/dbraw/zinc/71/77/15/932717715.db2.gz	CLPMZJROPBSKAD-ZDUSSCGKSA-N	-1	0	279.434	3.387	20	30		CGEDRM
CC(=NOC(C)(C)C)c1ccc(C(=O)[O-])c(F)c1	ZINC001320094256	934000182	/nfs/dbraw/zinc/00/01/82/934000182.db2.gz	GPXBAKLKKWGIJF-UHFFFAOYSA-N	-1	0	253.273	3.063	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](Oc1ccccc1)c1ccccc1	ZINC001470616575	937755880	/nfs/dbraw/zinc/75/58/80/937755880.db2.gz	PAJIZAHOFCSMBA-KRWDZBQOSA-N	-1	0	297.354	3.431	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2C=CCCC2)c1[O-]	ZINC001323771088	934424052	/nfs/dbraw/zinc/42/40/52/934424052.db2.gz	KQMYTMHBESLYCI-OXFWXOROSA-N	-1	0	280.711	3.481	20	30		CGEDRM
CC(=NOC(C)(C)C)c1cccc(OCCCC(=O)[O-])c1	ZINC001327800268	935085503	/nfs/dbraw/zinc/08/55/03/935085503.db2.gz	IVIVCSMMOFQZAS-UHFFFAOYSA-N	-1	0	293.363	3.469	20	30		CGEDRM
CCCc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001546334205	938000643	/nfs/dbraw/zinc/00/06/43/938000643.db2.gz	BKIQOMAAJZGRGY-UHFFFAOYSA-N	-1	0	280.327	3.469	20	30		CGEDRM
N#CC(=C([O-])C=Cc1nccs1)c1nc2ccccc2o1	ZINC001516674716	938009312	/nfs/dbraw/zinc/00/93/12/938009312.db2.gz	GHPQQGNLCOFYHR-BRAIEQGRSA-N	-1	0	295.323	3.174	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(F)c1[O-]	ZINC001532333216	938086063	/nfs/dbraw/zinc/08/60/63/938086063.db2.gz	OUZSHNXEYKAHLE-SMDDNHRTSA-N	-1	0	277.339	3.396	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2ccc(Cl)c([O-])c2)c1	ZINC001540337200	938130329	/nfs/dbraw/zinc/13/03/29/938130329.db2.gz	JQZZSOGVNQQONF-UHFFFAOYSA-N	-1	0	271.703	3.279	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)[O-])c1	ZINC001602718904	971378347	/nfs/dbraw/zinc/37/83/47/971378347.db2.gz	YQYVRBZJWSDHFZ-IUODEOHRSA-N	-1	0	287.359	3.250	20	30		CGEDRM
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC(F)(F)C1	ZINC000328583935	971511871	/nfs/dbraw/zinc/51/18/71/971511871.db2.gz	FYUHIQXHJMBHNN-AXFHLTTASA-N	-1	0	289.322	3.412	20	30		CGEDRM
CC(C)(C#N)c1ccccc1CSCCC(=O)[O-]	ZINC001602831277	971657997	/nfs/dbraw/zinc/65/79/97/971657997.db2.gz	XVKKWZYSFNWIPX-UHFFFAOYSA-N	-1	0	263.362	3.196	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1cccc(Cl)c1C(=O)[O-]	ZINC000388608501	972181534	/nfs/dbraw/zinc/18/15/34/972181534.db2.gz	GFFIWCNCQPWJSG-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
Cc1oc(CNc2ccc(C#N)cc2C)cc1C(=O)[O-]	ZINC000038059973	957355197	/nfs/dbraw/zinc/35/51/97/957355197.db2.gz	NWHJYQDOINUOKT-UHFFFAOYSA-N	-1	0	270.288	3.078	20	30		CGEDRM
C=CCCCCCOC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588799707	960489660	/nfs/dbraw/zinc/48/96/60/960489660.db2.gz	BGCBIRBAKNORPG-STQMWFEESA-N	-1	0	268.353	3.167	20	30		CGEDRM
C=CC[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)[O-]	ZINC001588759083	960492418	/nfs/dbraw/zinc/49/24/18/960492418.db2.gz	ORYYCYMOHJMICG-JTQLQIEISA-N	-1	0	282.752	3.338	20	30		CGEDRM
C=C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C	ZINC001602827865	960551254	/nfs/dbraw/zinc/55/12/54/960551254.db2.gz	SLPWXUDHFWUFND-GFCCVEGCSA-N	-1	0	262.305	3.142	20	30		CGEDRM
C=CCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl	ZINC001602860608	960552097	/nfs/dbraw/zinc/55/20/97/960552097.db2.gz	JBSOGFQMVDBYFC-ZDUSSCGKSA-N	-1	0	282.723	3.365	20	30		CGEDRM
C=CCn1ncc2ccc(NCc3ccoc3C(=O)[O-])cc21	ZINC001573378391	962243486	/nfs/dbraw/zinc/24/34/86/962243486.db2.gz	CRDOIGCRVFEFNS-UHFFFAOYSA-N	-1	0	297.314	3.126	20	30		CGEDRM
C=C(C)CCC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-]	ZINC001588554265	962766944	/nfs/dbraw/zinc/76/69/44/962766944.db2.gz	CDHHOEHMPWTWSE-CQSZACIVSA-N	-1	0	275.348	3.239	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC001573323896	962777965	/nfs/dbraw/zinc/77/79/65/962777965.db2.gz	JAEUZCAKPVWZDK-UHFFFAOYSA-N	-1	0	285.702	3.472	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)Cc1ccccc1Cl	ZINC001573325990	962800854	/nfs/dbraw/zinc/80/08/54/962800854.db2.gz	QCZRXAACNCBABF-UHFFFAOYSA-N	-1	0	295.766	3.110	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](OCCC)c1ccc(F)cc1C	ZINC001583413151	962810981	/nfs/dbraw/zinc/81/09/81/962810981.db2.gz	RGBASHDNKJNQSV-SWLSCSKDSA-N	-1	0	295.354	3.224	20	30		CGEDRM
C=C1CCC(C(=O)N(CC)c2ccccc2C(=O)[O-])CC1	ZINC001573344354	962915870	/nfs/dbraw/zinc/91/58/70/962915870.db2.gz	USZFZSADGOWPJP-UHFFFAOYSA-N	-1	0	287.359	3.484	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3ccc(C(=O)[O-])cc32)CCCC1	ZINC001573352924	962994467	/nfs/dbraw/zinc/99/44/67/962994467.db2.gz	NCAKSJQFKZMQDR-UHFFFAOYSA-N	-1	0	299.370	3.410	20	30		CGEDRM
C=CCCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21	ZINC001573356980	963011414	/nfs/dbraw/zinc/01/14/14/963011414.db2.gz	HVZLMNSRYDYNRU-QGZVFWFLSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C#CC[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC001588428598	963266624	/nfs/dbraw/zinc/26/66/24/963266624.db2.gz	UKHQKEDVOJQDAX-ZDUSSCGKSA-N	-1	0	292.306	3.119	20	30		CGEDRM
C=CCCCCCCNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC001588458858	963274251	/nfs/dbraw/zinc/27/42/51/963274251.db2.gz	VQDDRPWPJUWGBB-UHFFFAOYSA-N	-1	0	295.423	3.376	20	30		CGEDRM
CC(=O)c1ccc(C#N)cc1NCc1cccc(C(=O)[O-])c1	ZINC001588528454	963274721	/nfs/dbraw/zinc/27/47/21/963274721.db2.gz	SAWIRCOLGOSMKV-UHFFFAOYSA-N	-1	0	294.310	3.071	20	30		CGEDRM
C=CCCCCCN(C)C(=O)C1(C(=O)[O-])CCCCC1	ZINC001588457853	963280304	/nfs/dbraw/zinc/28/03/04/963280304.db2.gz	GQCIBVXZTZODLW-UHFFFAOYSA-N	-1	0	281.396	3.226	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCc1ccnc(C)n1	ZINC001588576959	963281602	/nfs/dbraw/zinc/28/16/02/963281602.db2.gz	IXTYRTCZCGBFOE-UHFFFAOYSA-N	-1	0	298.342	3.181	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588535585	963281979	/nfs/dbraw/zinc/28/19/79/963281979.db2.gz	JQNQUCMSAMIUHH-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC001588535738	963282519	/nfs/dbraw/zinc/28/25/19/963282519.db2.gz	KXTCKTOHBDUHKZ-LBPRGKRZSA-N	-1	0	275.348	3.340	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1c(C)csc1C(=O)[O-])OCC	ZINC001588535709	963288437	/nfs/dbraw/zinc/28/84/37/963288437.db2.gz	QTRIPTSEIBMNNV-SNVBAGLBSA-N	-1	0	297.376	3.065	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)c1ccc(Cl)cc1	ZINC001588612036	963293516	/nfs/dbraw/zinc/29/35/16/963293516.db2.gz	GJUPAMREMTUTBO-UHFFFAOYSA-N	-1	0	281.739	3.114	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1	ZINC001588605764	963294260	/nfs/dbraw/zinc/29/42/60/963294260.db2.gz	MBHCFXJRIGVVEV-UHFFFAOYSA-N	-1	0	296.392	3.046	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588605231	963294607	/nfs/dbraw/zinc/29/46/07/963294607.db2.gz	DSOAOWKXYGLMIO-HNNXBMFYSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC001588673270	963299520	/nfs/dbraw/zinc/29/95/20/963299520.db2.gz	OXZSQURPTCLTPR-OAHLLOKOSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001588712255	963303787	/nfs/dbraw/zinc/30/37/87/963303787.db2.gz	UVGXRAJEXJWLSH-KFWWJZLASA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCC1	ZINC001588765151	963310427	/nfs/dbraw/zinc/31/04/27/963310427.db2.gz	RLLCCDLBIHUGOS-UHFFFAOYSA-N	-1	0	273.332	3.460	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC001588792332	963316537	/nfs/dbraw/zinc/31/65/37/963316537.db2.gz	DDOXRSCVFUUEPN-ZDUSSCGKSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CCC1(NC(=O)Nc2ccc(C(=O)[O-])cc2)CCCC1	ZINC001588767293	963317795	/nfs/dbraw/zinc/31/77/95/963317795.db2.gz	SMDPGHMCIQJEPT-UHFFFAOYSA-N	-1	0	288.347	3.395	20	30		CGEDRM
C=CCC1(c2nc(-c3cc(C(=O)[O-])co3)no2)CCCC1	ZINC001588771431	963318470	/nfs/dbraw/zinc/31/84/70/963318470.db2.gz	UKIPKJXUYLMRBV-UHFFFAOYSA-N	-1	0	288.303	3.416	20	30		CGEDRM
C=CCCCCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC001588802292	963322017	/nfs/dbraw/zinc/32/20/17/963322017.db2.gz	GTCOHLHNNYBLJR-UHFFFAOYSA-N	-1	0	292.379	3.060	20	30		CGEDRM
C/C(=C/CON=C(c1ccccc1)C(F)(F)F)C(=O)[O-]	ZINC001588990989	963336192	/nfs/dbraw/zinc/33/61/92/963336192.db2.gz	NDSLGOTWQQWFES-HOHXNWOUSA-N	-1	0	287.237	3.001	20	30		CGEDRM
CC(N=Nc1cccc(F)c1C(=O)[O-])C1CCC1	ZINC001589017396	963342180	/nfs/dbraw/zinc/34/21/80/963342180.db2.gz	LBKAUYVRSAXTFY-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(C)(C#N)CC(=O)OCc1cccc(C(=O)[O-])c1Cl	ZINC001589553532	963999997	/nfs/dbraw/zinc/99/99/97/963999997.db2.gz	CSGBHPVSAZUBQG-UHFFFAOYSA-N	-1	0	295.722	3.021	20	30		CGEDRM
C#CCCCC(=O)Nc1c(C(=O)[O-])ccc2ccccc21	ZINC001588440539	964039435	/nfs/dbraw/zinc/03/94/35/964039435.db2.gz	ZAZQEWGWSISECO-UHFFFAOYSA-N	-1	0	281.311	3.280	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000393729449	972631959	/nfs/dbraw/zinc/63/19/59/972631959.db2.gz	CYBRAPILFPQYEB-NSHDSACASA-N	-1	0	276.336	3.169	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000393751513	972635191	/nfs/dbraw/zinc/63/51/91/972635191.db2.gz	VXWGKMPUGLGFGE-CYBMUJFWSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000393751518	972635588	/nfs/dbraw/zinc/63/55/88/972635588.db2.gz	VXWGKMPUGLGFGE-ZDUSSCGKSA-N	-1	0	290.363	3.180	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001603641276	973989338	/nfs/dbraw/zinc/98/93/38/973989338.db2.gz	ZQXMXRDQVZHENZ-NSHDSACASA-N	-1	0	295.383	3.433	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cs1	ZINC001592008435	976677360	/nfs/dbraw/zinc/67/73/60/976677360.db2.gz	KURHXZKSTONSEL-HWKANZROSA-N	-1	0	291.328	3.454	20	30		CGEDRM
C[C@@H](CC#N)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001592210192	977253551	/nfs/dbraw/zinc/25/35/51/977253551.db2.gz	BKBKZFADUBMOMY-JTQLQIEISA-N	-1	0	282.299	3.026	20	30		CGEDRM
C[C@@H](CC=NOCc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC001592469747	978213602	/nfs/dbraw/zinc/21/36/02/978213602.db2.gz	ASEVZMCBSFPNRP-VIFPVBQESA-N	-1	0	289.253	3.319	20	30		CGEDRM
CCC(CC)CN=Nc1ccc(F)c(C(=O)[O-])c1	ZINC001595030267	979166032	/nfs/dbraw/zinc/16/60/32/979166032.db2.gz	NDMVVSULCSBBQE-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CCC1CCC(NC(=O)CCCCCC#N)(C(=O)[O-])CC1	ZINC001595420871	981038870	/nfs/dbraw/zinc/03/88/70/981038870.db2.gz	NTWRKUFMUTWBAE-UHFFFAOYSA-N	-1	0	294.395	3.000	20	30		CGEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001594778148	981772740	/nfs/dbraw/zinc/77/27/40/981772740.db2.gz	JAUFBYBNOMGDQG-KRWDZBQOSA-N	-1	0	296.326	3.416	20	30		CGEDRM
CC[C@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])c(Cl)c1)OC	ZINC001594883478	982253638	/nfs/dbraw/zinc/25/36/38/982253638.db2.gz	RBMHJWGJWZUVCU-TVQRCGJNSA-N	-1	0	298.770	3.497	20	30		CGEDRM
CCCCCCCC(=O)Nc1cnc(C)c(C(=O)[O-])c1	ZINC001595704639	982278032	/nfs/dbraw/zinc/27/80/32/982278032.db2.gz	FLABIYWPKXUOBG-UHFFFAOYSA-N	-1	0	278.352	3.387	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1	ZINC001597146265	986909983	/nfs/dbraw/zinc/90/99/83/986909983.db2.gz	XGHIUPHCLMOWSQ-SOFGYWHQSA-N	-1	0	286.283	3.273	20	30		CGEDRM
CCc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001597520165	988149305	/nfs/dbraw/zinc/14/93/05/988149305.db2.gz	QDMNBTAZNNAVMG-FPLPWBNLSA-N	-1	0	270.284	3.436	20	30		CGEDRM
CSCCCS[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599800597	988169700	/nfs/dbraw/zinc/16/97/00/988169700.db2.gz	VBQRQQWBVDKCBH-GFCCVEGCSA-N	-1	0	281.402	3.170	20	30		CGEDRM
CCc1cnccc1C(C)=NNc1cccc(C(=O)[O-])c1C	ZINC001597634359	988610043	/nfs/dbraw/zinc/61/00/43/988610043.db2.gz	KRRWAEDWCXJFPH-UHFFFAOYSA-N	-1	0	297.358	3.487	20	30		CGEDRM
CCn1c2ccc(C#N)cc2nc1-c1ccccc1C(=O)[O-]	ZINC001597827908	989489027	/nfs/dbraw/zinc/48/90/27/989489027.db2.gz	XWQLKQMUILUOTK-UHFFFAOYSA-N	-1	0	291.310	3.293	20	30		CGEDRM
CC(C)C[N@H+](CCC#N)Cc1c2ccccc2[nH]c1C(=O)[O-]	ZINC001591322074	992291347	/nfs/dbraw/zinc/29/13/47/992291347.db2.gz	OSEZGMIRIFNHMN-UHFFFAOYSA-N	-1	0	299.374	3.238	20	30		CGEDRM
C[C@@H](Nc1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1	ZINC001593362485	995033137	/nfs/dbraw/zinc/03/31/37/995033137.db2.gz	JJRKMIZVBCSAIH-GFCCVEGCSA-N	-1	0	296.326	3.195	20	30		CGEDRM
C[C@@H](S[C@H](C#N)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001593656102	996022725	/nfs/dbraw/zinc/02/27/25/996022725.db2.gz	QXFJNOXTOHCMDR-GMSGAONNSA-N	-1	0	255.726	3.111	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1COc1ccc(C#N)c(C)c1	ZINC001599499322	997084584	/nfs/dbraw/zinc/08/45/84/997084584.db2.gz	BTTWLGBYFPSTBC-UHFFFAOYSA-N	-1	0	297.310	3.153	20	30		CGEDRM
CC1=C(C(=O)[O-])C[C@H](CSc2ccc(C)cc2C#N)O1	ZINC001594105752	998163602	/nfs/dbraw/zinc/16/36/02/998163602.db2.gz	GTXOIKAQAWGOQP-GFCCVEGCSA-N	-1	0	289.356	3.106	20	30		CGEDRM
C=CCN(C(=O)c1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000621536934	349543348	/nfs/dbraw/zinc/54/33/48/349543348.db2.gz	ZHFNSYZCUYTRGQ-UHFFFAOYSA-N	-1	0	281.311	3.218	20	30		CGEDRM
CC[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000593574303	347091945	/nfs/dbraw/zinc/09/19/45/347091945.db2.gz	QFCGYOOAFOAOEN-ZCFIWIBFSA-N	-1	0	273.119	3.187	20	30		CGEDRM
N#Cc1c(NCCCCC(=O)[O-])cccc1C(F)F	ZINC000595968223	347373635	/nfs/dbraw/zinc/37/36/35/347373635.db2.gz	IREDSOVCLZYYKK-UHFFFAOYSA-N	-1	0	268.263	3.163	20	30		CGEDRM
C=CCCSCCNC(=O)c1ccc([O-])c(Cl)c1	ZINC000597970415	347611325	/nfs/dbraw/zinc/61/13/25/347611325.db2.gz	GXUHQRNIHLUODO-UHFFFAOYSA-N	-1	0	285.796	3.085	20	30		CGEDRM
Cc1[n-]n([C@@H]2CCCCC2(C)C)c(=O)c1CCC#N	ZINC000601947292	347927873	/nfs/dbraw/zinc/92/78/73/347927873.db2.gz	UJKUUYYXTICKNB-CHWSQXEVSA-N	-1	0	261.369	3.093	20	30		CGEDRM
CCc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C	ZINC000601949445	347928560	/nfs/dbraw/zinc/92/85/60/347928560.db2.gz	PHJHKUKNNODNFL-MRVPVSSYSA-N	-1	0	295.264	3.326	20	30		CGEDRM
CCc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C	ZINC000601949446	347928715	/nfs/dbraw/zinc/92/87/15/347928715.db2.gz	PHJHKUKNNODNFL-QMMMGPOBSA-N	-1	0	295.264	3.326	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCCC3)cc1	ZINC000601933449	347925808	/nfs/dbraw/zinc/92/58/08/347925808.db2.gz	ZAOMAGQSKQWADA-CQSZACIVSA-N	-1	0	267.332	3.231	20	30		CGEDRM
CCC(C)(C)c1n[n-]c(=NCC2(C#N)CCCCC2)o1	ZINC000603411404	348080734	/nfs/dbraw/zinc/08/07/34/348080734.db2.gz	CONAQBBMPFKGFT-UHFFFAOYSA-N	-1	0	276.384	3.065	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000617781364	349010674	/nfs/dbraw/zinc/01/06/74/349010674.db2.gz	KXBZMYORYPIYMP-VIFPVBQESA-N	-1	0	299.292	3.238	20	30		CGEDRM
C=CCC1(NC(=O)c2s[n-]c(=O)c2Cl)CCCC1	ZINC000619110421	349205545	/nfs/dbraw/zinc/20/55/45/349205545.db2.gz	KDKGQMNULJUZQP-UHFFFAOYSA-N	-1	0	286.784	3.121	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(C(F)F)o2)nc(C)n1	ZINC000626292734	350292272	/nfs/dbraw/zinc/29/22/72/350292272.db2.gz	AJKPBSUYSLAVLD-SECBINFHSA-N	-1	0	291.257	3.114	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634927761	351605023	/nfs/dbraw/zinc/60/50/23/351605023.db2.gz	XZHRQTIHPHFDNM-STQMWFEESA-N	-1	0	281.396	3.129	20	30		CGEDRM
N#C[C@@]1(C(=O)Nc2ccc(F)c(F)c2[O-])CC12CCCC2	ZINC000334747054	283063432	/nfs/dbraw/zinc/06/34/32/283063432.db2.gz	KDYJENHETLXLRD-OAHLLOKOSA-N	-1	0	292.285	3.083	20	30		CGEDRM
Cc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1O	ZINC000156967203	372001662	/nfs/dbraw/zinc/00/16/62/372001662.db2.gz	AKKCXLSBNNOPBF-INIZCTEOSA-N	-1	0	294.354	3.476	20	30		CGEDRM
C=C[C@@H]1OCC[C@H]1CN=c1nc(C2CCCCC2)[n-]s1	ZINC000425266154	372118642	/nfs/dbraw/zinc/11/86/42/372118642.db2.gz	ZNUBHAKRHYPMNN-STQMWFEESA-N	-1	0	293.436	3.011	20	30		CGEDRM
C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(O)c1Cl	ZINC000293189795	372321853	/nfs/dbraw/zinc/32/18/53/372321853.db2.gz	HYIQHXDNWZJMMF-SWLSCSKDSA-N	-1	0	281.783	3.116	20	30		CGEDRM
CCSCc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000434643864	372698637	/nfs/dbraw/zinc/69/86/37/372698637.db2.gz	SNOQOZLYYRXBQX-CQSZACIVSA-N	-1	0	297.383	3.220	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000192870921	375797813	/nfs/dbraw/zinc/79/78/13/375797813.db2.gz	WUGAVHFLHOSZMU-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccsn2)s1	ZINC000515423009	375812684	/nfs/dbraw/zinc/81/26/84/375812684.db2.gz	IARQKZKOZHTASH-MRVPVSSYSA-N	-1	0	291.401	3.387	20	30		CGEDRM
C=CCCCCCNC(=O)CC1(C(=O)[O-])CCCCC1	ZINC000579000041	378120597	/nfs/dbraw/zinc/12/05/97/378120597.db2.gz	HGXVKUXQJUOZKF-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C=CC[C@H](CC)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000580956608	378271997	/nfs/dbraw/zinc/27/19/97/378271997.db2.gz	CSXHHBOMSOBIQH-JTQLQIEISA-N	-1	0	278.308	3.368	20	30		CGEDRM
C=CCC1(CNC(=O)CC2(C(=O)[O-])CCCC2)CCCC1	ZINC000414082545	380189376	/nfs/dbraw/zinc/18/93/76/380189376.db2.gz	CHFSSRFWBPUECC-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=CCC1(CNC(=O)CC2(CC(=O)[O-])CCC2)CCCC1	ZINC000643343683	380284140	/nfs/dbraw/zinc/28/41/40/380284140.db2.gz	XUQBWQHXZDLCJS-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000100213242	392264013	/nfs/dbraw/zinc/26/40/13/392264013.db2.gz	JZPRNODNPCZPRF-OKHBPPCESA-N	-1	0	270.288	3.481	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000262985958	131277687	/nfs/dbraw/zinc/27/76/87/131277687.db2.gz	PUWUCRKZUWAZBE-UONOGXRCSA-N	-1	0	289.375	3.091	20	30		CGEDRM
N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1ccccn1	ZINC000121648874	392414646	/nfs/dbraw/zinc/41/46/46/392414646.db2.gz	CHTRZZMZSNAQJE-CYBMUJFWSA-N	-1	0	289.294	3.227	20	30		CGEDRM
[O-]C(=Nc1nc2ccsc2s1)[C@@H]1C[C@@]12CCOC2	ZINC000329654918	392689932	/nfs/dbraw/zinc/68/99/32/392689932.db2.gz	LWQUPBPVTFHBAA-JVXZTZIISA-N	-1	0	280.374	3.372	20	30		CGEDRM
N#CC(=C([O-])c1ncoc1C1CC1)c1nc(C2CC2)cs1	ZINC000647380111	392712010	/nfs/dbraw/zinc/71/20/10/392712010.db2.gz	KNCUWXJOKIUDME-SNVBAGLBSA-N	-1	0	299.355	3.376	20	30		CGEDRM
Cc1cccc2cc(C([O-])=C(C#N)c3ccncn3)oc21	ZINC000354481802	227010417	/nfs/dbraw/zinc/01/04/17/227010417.db2.gz	YPNUHKASPDJRMH-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000336191684	228209325	/nfs/dbraw/zinc/20/93/25/228209325.db2.gz	CWKYKFVKINQNDG-SREIQFSDSA-N	-1	0	285.130	3.187	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000186987569	262332942	/nfs/dbraw/zinc/33/29/42/262332942.db2.gz	HPAXDLAUQWOZRD-SECBINFHSA-N	-1	0	269.291	3.145	20	30		CGEDRM
C=CC(C)(C)CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000452778864	263146795	/nfs/dbraw/zinc/14/67/95/263146795.db2.gz	ZUKCOMZEQKUOGR-UHFFFAOYSA-N	-1	0	271.719	3.127	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000293728865	263148094	/nfs/dbraw/zinc/14/80/94/263148094.db2.gz	SYSQVIUYNRHISN-SECBINFHSA-N	-1	0	293.100	3.329	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(C#N)c(O)c1	ZINC000188540400	264218116	/nfs/dbraw/zinc/21/81/16/264218116.db2.gz	GSJPMKNHVOFPDG-UHFFFAOYSA-N	-1	0	272.348	3.082	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1	ZINC000357665111	266341431	/nfs/dbraw/zinc/34/14/31/266341431.db2.gz	NVKYNMVFNLNDJY-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)C(F)(F)c1ccccc1	ZINC000274292059	328210649	/nfs/dbraw/zinc/21/06/49/328210649.db2.gz	CUHWGTHCIJLMPZ-AWEZNQCLSA-N	-1	0	280.318	3.223	20	30		CGEDRM
C=CCn1cccc1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000345626668	328566882	/nfs/dbraw/zinc/56/68/82/328566882.db2.gz	PDGKIRXSAVFSJW-UHFFFAOYSA-N	-1	0	294.713	3.425	20	30		CGEDRM
C=CCCC[C@@H](C)Sc1n[n-]c(=NC2CC2)s1	ZINC000537070700	330396380	/nfs/dbraw/zinc/39/63/80/330396380.db2.gz	OKIDKYDHQRYMNT-SECBINFHSA-N	-1	0	269.439	3.371	20	30		CGEDRM
C=C[C@H](CC(=O)N(CC(=O)[O-])[C@@H](C)CC)c1ccccc1	ZINC000262826166	330034497	/nfs/dbraw/zinc/03/44/97/330034497.db2.gz	WUCADCVOTHAUIL-UONOGXRCSA-N	-1	0	289.375	3.058	20	30		CGEDRM
CCCc1[nH]ccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000422119441	330125602	/nfs/dbraw/zinc/12/56/02/330125602.db2.gz	KMKNKMPPRJACGV-NSHDSACASA-N	-1	0	273.361	3.222	20	30		CGEDRM
C#CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCC1	ZINC000194832459	333278064	/nfs/dbraw/zinc/27/80/64/333278064.db2.gz	QLVNWJKYXRMLPW-UHFFFAOYSA-N	-1	0	295.741	3.203	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CCCCC2)n1)c1ccncn1	ZINC000549465387	334194698	/nfs/dbraw/zinc/19/46/98/334194698.db2.gz	JQMDRYWWZBAQPF-LBPRGKRZSA-N	-1	0	296.330	3.002	20	30		CGEDRM
O=C(CC1CCCC1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000329082317	534337331	/nfs/dbraw/zinc/33/73/31/534337331.db2.gz	DOVRIWRAWYHQHU-UHFFFAOYSA-N	-1	0	286.335	3.346	20	30		CGEDRM
C=CCC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCC1	ZINC000262747485	534581360	/nfs/dbraw/zinc/58/13/60/534581360.db2.gz	ASNBCJVQSXPGRC-UHFFFAOYSA-N	-1	0	287.359	3.090	20	30		CGEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2nc(C)cs2)cs1	ZINC000344646168	527204101	/nfs/dbraw/zinc/20/41/01/527204101.db2.gz	ZAAFYOHIJCBXLV-SNVBAGLBSA-N	-1	0	290.369	3.206	20	30		CGEDRM
CCC[C@@H](C)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1	ZINC000191105455	528908895	/nfs/dbraw/zinc/90/88/95/528908895.db2.gz	UIYYRRSXDXMXHH-SNVBAGLBSA-N	-1	0	298.346	3.143	20	30		CGEDRM
COc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1C#N	ZINC000316013939	536899114	/nfs/dbraw/zinc/89/91/14/536899114.db2.gz	ZKFHDDWPQNVLTK-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
CCc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000737266094	572336228	/nfs/dbraw/zinc/33/62/28/572336228.db2.gz	HYUJTHFOQSIAFQ-MRXNPFEDSA-N	-1	0	280.327	3.358	20	30		CGEDRM
C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NC1CC1	ZINC000730954669	572387433	/nfs/dbraw/zinc/38/74/33/572387433.db2.gz	GYBCRZWJCKGUMW-JTQLQIEISA-N	-1	0	291.445	3.387	20	30		CGEDRM
CCc1ccc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000731150121	572396528	/nfs/dbraw/zinc/39/65/28/572396528.db2.gz	FHWKFSPEUZKPCN-UHFFFAOYSA-N	-1	0	274.345	3.455	20	30		CGEDRM
N#Cc1ccc(SCc2cc(C(=O)[O-])co2)cc1	ZINC000739132443	572403011	/nfs/dbraw/zinc/40/30/11/572403011.db2.gz	QWDYCMIPATUTGU-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
Cc1cccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1	ZINC000733207391	572544234	/nfs/dbraw/zinc/54/42/34/572544234.db2.gz	XOHFHUOBPWQDTO-HJWRWDBZSA-N	-1	0	296.322	3.355	20	30		CGEDRM
C=C(Cl)CSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000736094566	572768051	/nfs/dbraw/zinc/76/80/51/572768051.db2.gz	MVAFJBXWNFLIHB-UHFFFAOYSA-N	-1	0	269.709	3.371	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736097313	572768887	/nfs/dbraw/zinc/76/88/87/572768887.db2.gz	GLSYHZBLFHZVOF-UHFFFAOYSA-N	-1	0	292.379	3.148	20	30		CGEDRM
CC[N@H+](Cc1cc(C(=O)[O-])co1)[C@H](C)c1ccc(C#N)cc1	ZINC000737101759	572860725	/nfs/dbraw/zinc/86/07/25/572860725.db2.gz	IBBSXHHJWINOKM-GFCCVEGCSA-N	-1	0	298.342	3.433	20	30		CGEDRM
C[C@H](/N=C\c1ccc(O)c(O)c1O)[C@@H](C)c1ccccc1	ZINC000746815768	572896954	/nfs/dbraw/zinc/89/69/54/572896954.db2.gz	NDSCVNDUKPJUGV-OQUOYJOKSA-N	-1	0	285.343	3.415	20	30		CGEDRM
Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000747061162	572907158	/nfs/dbraw/zinc/90/71/58/572907158.db2.gz	CJYSVNUKDNZVMC-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1ccon1	ZINC000747863453	572952054	/nfs/dbraw/zinc/95/20/54/572952054.db2.gz	CWDFVYWAGKMWAR-RZNTYIFUSA-N	-1	0	271.103	3.306	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cncc3ccccc32)c1	ZINC000748411065	572975980	/nfs/dbraw/zinc/97/59/80/572975980.db2.gz	VOKINECVIFKVPA-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cc1	ZINC000748441725	572977263	/nfs/dbraw/zinc/97/72/63/572977263.db2.gz	TYEXQDIMLCWNIL-YMBWGVAGSA-N	-1	0	282.324	3.283	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000749000756	572988070	/nfs/dbraw/zinc/98/80/70/572988070.db2.gz	ZZMCJXVGOVPMTR-ONEGZZNKSA-N	-1	0	289.337	3.276	20	30		CGEDRM
CC(C)=CCCC(C)=NNc1cnnc([O-])c1Cl	ZINC000749157837	572989988	/nfs/dbraw/zinc/98/99/88/572989988.db2.gz	GNSYVYBHOCGXPB-UHFFFAOYSA-N	-1	0	268.748	3.370	20	30		CGEDRM
CCC[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736965963	600615696	/nfs/dbraw/zinc/61/56/96/600615696.db2.gz	VVPHIKRZNOCFEB-ABAIWWIYSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C=CCOc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1	ZINC000825698364	600808164	/nfs/dbraw/zinc/80/81/64/600808164.db2.gz	GRGHJEYTJIZGJS-UHFFFAOYSA-N	-1	0	288.299	3.430	20	30		CGEDRM
N#Cc1ccnc(S[C@@H](C(=O)[O-])c2ccccc2F)c1	ZINC000833076304	600837623	/nfs/dbraw/zinc/83/76/23/600837623.db2.gz	BHJLJQCNVHDGHX-CYBMUJFWSA-N	-1	0	288.303	3.010	20	30		CGEDRM
Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1C(=O)[O-]	ZINC000832941744	601063054	/nfs/dbraw/zinc/06/30/54/601063054.db2.gz	MLNSGEWIWOJCPL-UHFFFAOYSA-N	-1	0	286.331	3.106	20	30		CGEDRM
C=CCc1ccccc1OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825705307	601236111	/nfs/dbraw/zinc/23/61/11/601236111.db2.gz	BSLOSZOAFVTXAJ-UONOGXRCSA-N	-1	0	288.343	3.212	20	30		CGEDRM
C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccs1	ZINC000827717856	601297298	/nfs/dbraw/zinc/29/72/98/601297298.db2.gz	LUHJEGYGCDHRSW-IINYFYTJSA-N	-1	0	286.356	3.096	20	30		CGEDRM
N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@@H]2c2ccco2)c1	ZINC000833074264	601319424	/nfs/dbraw/zinc/31/94/24/601319424.db2.gz	TURNDQACCBYLMB-ZBFHGGJFSA-N	-1	0	296.326	3.114	20	30		CGEDRM
O=C([O-])[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1	ZINC000833167402	601416423	/nfs/dbraw/zinc/41/64/23/601416423.db2.gz	NBHVSYDJZFJYCJ-INIZCTEOSA-N	-1	0	299.757	3.107	20	30		CGEDRM
C=CCCCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000825671615	601437843	/nfs/dbraw/zinc/43/78/43/601437843.db2.gz	XMSVZUTZGPSGKW-AWEZNQCLSA-N	-1	0	275.348	3.065	20	30		CGEDRM
C#CCCc1cc(=O)n(Cc2cccc(Cl)c2Cl)[n-]1	ZINC000899354512	620649227	/nfs/dbraw/zinc/64/92/27/620649227.db2.gz	ICCXBQKDUSXMKW-UHFFFAOYSA-N	-1	0	295.169	3.495	20	30		CGEDRM
CCCCCCCC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000147527203	601598793	/nfs/dbraw/zinc/59/87/93/601598793.db2.gz	RROOZVCZHIVWBS-UHFFFAOYSA-N	-1	0	269.385	3.108	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC000832910761	601791181	/nfs/dbraw/zinc/79/11/81/601791181.db2.gz	DSQCHTYQYRFUPP-XQRVVYSFSA-N	-1	0	269.300	3.226	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CCO2	ZINC000832961434	601791322	/nfs/dbraw/zinc/79/13/22/601791322.db2.gz	ALUQVXXKMNCPEO-GHXNOFRVSA-N	-1	0	297.310	3.070	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(Cl)cc2)c[nH]1	ZINC000833092655	601791451	/nfs/dbraw/zinc/79/14/51/601791451.db2.gz	JDLSGVFKGJDKLY-LZCJLJQNSA-N	-1	0	275.691	3.262	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\CSc3ccccc3C2=O)c[nH]1	ZINC000833298188	601791522	/nfs/dbraw/zinc/79/15/22/601791522.db2.gz	PSPFCFJDVGBDOF-BJMVGYQFSA-N	-1	0	285.324	3.085	20	30		CGEDRM
Cc1ccc2c(c1)OCC/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832960678	601952498	/nfs/dbraw/zinc/95/24/98/601952498.db2.gz	RRPCZBOZFJQRJK-LUAWRHEFSA-N	-1	0	297.310	3.070	20	30		CGEDRM
C#CCN(CC)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000825614105	602042728	/nfs/dbraw/zinc/04/27/28/602042728.db2.gz	GFEZVMMXGSVLEB-GFCCVEGCSA-N	-1	0	286.158	3.074	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1ccc(C)cc1C(=O)[O-]	ZINC000825664961	602189250	/nfs/dbraw/zinc/18/92/50/602189250.db2.gz	RMEVXCNYDYNCLN-UHFFFAOYSA-N	-1	0	274.316	3.367	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000825664663	602283583	/nfs/dbraw/zinc/28/35/83/602283583.db2.gz	HVGRLMXASJREGK-UHFFFAOYSA-N	-1	0	292.306	3.336	20	30		CGEDRM
N#Cc1cccc(Cl)c1NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000831146376	603188470	/nfs/dbraw/zinc/18/84/70/603188470.db2.gz	OAYMLPVQXZMLSF-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c([O-])c1	ZINC000899362280	620668507	/nfs/dbraw/zinc/66/85/07/620668507.db2.gz	PCKZHGPSMCZJEQ-YVMONPNESA-N	-1	0	298.342	3.218	20	30		CGEDRM
O=C(/C=C/c1ccnn1C1CCC1)c1cc(F)ccc1[O-]	ZINC000899362261	620669926	/nfs/dbraw/zinc/66/99/26/620669926.db2.gz	OPDSGWVHGIMXKB-FNORWQNLSA-N	-1	0	286.306	3.349	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1C)OCC	ZINC000833366928	604535627	/nfs/dbraw/zinc/53/56/27/604535627.db2.gz	FVOODULSYIRTLI-AWEZNQCLSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C[C@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000768366182	604536842	/nfs/dbraw/zinc/53/68/42/604536842.db2.gz	CNSQPIJBXHZVEL-QWRGUYRKSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1cccc(NC(=O)[O-])c1)OCC	ZINC000833367482	604543414	/nfs/dbraw/zinc/54/34/14/604543414.db2.gz	MGTWFNDQDKKQJX-ZDUSSCGKSA-N	-1	0	292.335	3.086	20	30		CGEDRM
CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000773206036	605004659	/nfs/dbraw/zinc/00/46/59/605004659.db2.gz	CNLGLNGQQXZEAH-DGCLKSJQSA-N	-1	0	273.336	3.170	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cncc2ccccc12	ZINC000772838104	605101152	/nfs/dbraw/zinc/10/11/52/605101152.db2.gz	DLOORHNAADZWQW-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C=CCC[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)C1CC1	ZINC000833372947	605118076	/nfs/dbraw/zinc/11/80/76/605118076.db2.gz	BTNJPQVKGQAQBF-AWEZNQCLSA-N	-1	0	274.316	3.286	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccnc1	ZINC000833386436	605156144	/nfs/dbraw/zinc/15/61/44/605156144.db2.gz	DFJRYOKASXIZNX-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](CC)C1	ZINC000833853148	605362102	/nfs/dbraw/zinc/36/21/02/605362102.db2.gz	NTWMQLQBVUQZHF-ZIAGYGMSSA-N	-1	0	298.427	3.242	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC000833368767	605399537	/nfs/dbraw/zinc/39/95/37/605399537.db2.gz	UDTXGAQFTLEESN-UHFFFAOYSA-N	-1	0	294.376	3.364	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833361619	605598542	/nfs/dbraw/zinc/59/85/42/605598542.db2.gz	DJBFXGUBKYSLRT-UHFFFAOYSA-N	-1	0	277.295	3.046	20	30		CGEDRM
C=CCCCC(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC000833373701	605816855	/nfs/dbraw/zinc/81/68/55/605816855.db2.gz	YXLDHZWZDQLIBE-UHFFFAOYSA-N	-1	0	282.723	3.438	20	30		CGEDRM
N#Cc1c(Cl)cccc1SC1CCN(C(=O)[O-])CC1	ZINC000833969277	605991916	/nfs/dbraw/zinc/99/19/16/605991916.db2.gz	BBTXBCICOMALSA-UHFFFAOYSA-N	-1	0	296.779	3.446	20	30		CGEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)sc1C	ZINC000042232753	620701283	/nfs/dbraw/zinc/70/12/83/620701283.db2.gz	QXFLWLLYTVMLDU-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000042233587	620701893	/nfs/dbraw/zinc/70/18/93/620701893.db2.gz	ABVDEKKSONUFFL-SNVBAGLBSA-N	-1	0	299.779	3.342	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000042301904	620741974	/nfs/dbraw/zinc/74/19/74/620741974.db2.gz	NZBSTQZZVUSKNQ-UHFFFAOYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
O=C1c2ccc(O)cc2O/C1=C/c1cc(F)ccc1F	ZINC000048501963	617951152	/nfs/dbraw/zinc/95/11/52/617951152.db2.gz	RQZOYHJXAAMPIP-MKMNVTDBSA-N	-1	0	274.222	3.287	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000255192939	618052494	/nfs/dbraw/zinc/05/24/94/618052494.db2.gz	OMUNGWCVIFBULF-XQRVVYSFSA-N	-1	0	267.259	3.299	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(C)c1Cl)C(=O)[O-]	ZINC000900335491	620779907	/nfs/dbraw/zinc/77/99/07/620779907.db2.gz	FNCWQSHNRVVQLD-NSHDSACASA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1cc(C)ccc1Cl)C(=O)[O-]	ZINC000900325246	620781015	/nfs/dbraw/zinc/78/10/15/620781015.db2.gz	OTZIIERVGAUTDY-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
Oc1ccc(Cl)cc1/C=N\C[C@@H](O)c1ccccc1	ZINC000255662655	618773654	/nfs/dbraw/zinc/77/36/54/618773654.db2.gz	ROKCGGMFPWXPIE-GESOSKEOSA-N	-1	0	275.735	3.198	20	30		CGEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1nc2ccccc2o1	ZINC000892552811	618861416	/nfs/dbraw/zinc/86/14/16/618861416.db2.gz	DIOMPDUKXLUJCX-JTQLQIEISA-N	-1	0	293.282	3.183	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000312869145	619153812	/nfs/dbraw/zinc/15/38/12/619153812.db2.gz	OJMSZHNJHMWXDW-KGLIPLIRSA-N	-1	0	283.412	3.306	20	30		CGEDRM
CCCCCCCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000147252697	619388791	/nfs/dbraw/zinc/38/87/91/619388791.db2.gz	ZSNSQJKSARTRCJ-AWEZNQCLSA-N	-1	0	298.427	3.243	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1	ZINC000048518556	619502720	/nfs/dbraw/zinc/50/27/20/619502720.db2.gz	QTSYXWIFOKBUPL-UHFFFAOYSA-N	-1	0	283.393	3.051	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000793072066	619677557	/nfs/dbraw/zinc/67/75/57/619677557.db2.gz	OQZGNJJNRBKTTG-LLVKDONJSA-N	-1	0	289.162	3.170	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)c(C)c1	ZINC000049135066	619701913	/nfs/dbraw/zinc/70/19/13/619701913.db2.gz	LQEHVSBEIQOWBH-LLVKDONJSA-N	-1	0	295.404	3.385	20	30		CGEDRM
N#C[C@@H](C(=O)C=Cc1cccc(F)c1)c1ccccn1	ZINC000046439846	619732732	/nfs/dbraw/zinc/73/27/32/619732732.db2.gz	UBRGQRWIZUFROE-HSBSLETESA-N	-1	0	266.275	3.110	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1[O-]	ZINC000787682110	620539908	/nfs/dbraw/zinc/53/99/08/620539908.db2.gz	VUAPMAUTRGZBJA-SNVBAGLBSA-N	-1	0	265.740	3.226	20	30		CGEDRM
Cc1c(NN=Cc2cnn(C3CCC3)c2)cccc1C(=O)[O-]	ZINC000901261802	620849265	/nfs/dbraw/zinc/84/92/65/620849265.db2.gz	PCLNKGVHOJQFNI-UHFFFAOYSA-N	-1	0	298.346	3.061	20	30		CGEDRM
CC(C)n1cncc1/C=C1/CCc2cc(O)ccc2C1=O	ZINC000901469520	620896700	/nfs/dbraw/zinc/89/67/00/620896700.db2.gz	BOYHTGPQPBVGIH-QPEQYQDCSA-N	-1	0	282.343	3.382	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000901635758	620957678	/nfs/dbraw/zinc/95/76/78/620957678.db2.gz	AAXCDMGGVJRRHV-ZDUSSCGKSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCC[C@@H]([NH2+]Cc1cc(C(=O)[O-])no1)c1ccccc1	ZINC000902324645	621262024	/nfs/dbraw/zinc/26/20/24/621262024.db2.gz	FRGYEKSYPWGFTO-CQSZACIVSA-N	-1	0	286.331	3.170	20	30		CGEDRM
N#CC1CCC(CN2CC[C@@H](C(=O)[O-])c3ccccc32)CC1	ZINC000903403880	621741564	/nfs/dbraw/zinc/74/15/64/621741564.db2.gz	AADHHLNHCHBQAG-ZBCRRDGASA-N	-1	0	298.386	3.395	20	30		CGEDRM
C=C1CC(C)(c2noc(-c3cccc(F)c3[O-])n2)C1	ZINC000904110870	621869699	/nfs/dbraw/zinc/86/96/99/621869699.db2.gz	JKCANCNMVWHJSF-UHFFFAOYSA-N	-1	0	260.268	3.189	20	30		CGEDRM
CCO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000905477247	622076668	/nfs/dbraw/zinc/07/66/68/622076668.db2.gz	ZJSGKKJQJWHXCE-LBPRGKRZSA-N	-1	0	294.326	3.271	20	30		CGEDRM
CCCCc1nnc(NC(=O)c2ccsc2C#N)s1	ZINC000906368672	622228525	/nfs/dbraw/zinc/22/85/25/622228525.db2.gz	VPQPGWFZRHTJAL-UHFFFAOYSA-N	-1	0	292.389	3.066	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000907635959	622304776	/nfs/dbraw/zinc/30/47/76/622304776.db2.gz	VSQRBGRHETVEEW-CHWSQXEVSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000907681778	622307038	/nfs/dbraw/zinc/30/70/38/622307038.db2.gz	RBFAQOASACGLLX-NEPJUHHUSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1	ZINC000909106514	622396038	/nfs/dbraw/zinc/39/60/38/622396038.db2.gz	ACCUEFZWFGBGJU-UHFFFAOYSA-N	-1	0	277.295	3.209	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909836039	622429843	/nfs/dbraw/zinc/42/98/43/622429843.db2.gz	ZTMDMVHYYSWYRM-BZNIZROVSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000909836451	622430273	/nfs/dbraw/zinc/43/02/73/622430273.db2.gz	PTAPBEAXGPQONB-ZBEGNZNMSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000910366683	622478468	/nfs/dbraw/zinc/47/84/68/622478468.db2.gz	HGJZZHPEZOWRHI-SJCJKPOMSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1sccc1C1CC1)C(=O)[O-]	ZINC000910917868	622508452	/nfs/dbraw/zinc/50/84/52/622508452.db2.gz	DVBWHQINHWRUBH-LBPRGKRZSA-N	-1	0	293.388	3.165	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cccc(C)c1Cl)C(=O)[O-]	ZINC000910910908	622508459	/nfs/dbraw/zinc/50/84/59/622508459.db2.gz	AXQAZPPXHDCNCR-LBPRGKRZSA-N	-1	0	295.766	3.188	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2o1	ZINC000054735112	622795397	/nfs/dbraw/zinc/79/53/97/622795397.db2.gz	NRDJRINYVQMQLM-GUOLPTJISA-N	-1	0	278.267	3.310	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1C#N	ZINC000156598824	622825841	/nfs/dbraw/zinc/82/58/41/622825841.db2.gz	BJTHKANCNFLYBJ-SOFGYWHQSA-N	-1	0	279.295	3.169	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C/c2cc(C#N)cs2)c1	ZINC000156684734	622833834	/nfs/dbraw/zinc/83/38/34/622833834.db2.gz	FJYZOGRZYISQCT-HWKANZROSA-N	-1	0	285.324	3.230	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccc(O)c2)c([O-])c1	ZINC000156707181	622835698	/nfs/dbraw/zinc/83/56/98/622835698.db2.gz	SHQJKJOOWNIORV-SOFGYWHQSA-N	-1	0	254.285	3.302	20	30		CGEDRM
Cc1cccc2c1C/C(=C\c1cc([O-])ccc1[N+](=O)[O-])C2=O	ZINC000157311510	622898362	/nfs/dbraw/zinc/89/83/62/622898362.db2.gz	IRTCIWHNLVIHFW-KPKJPENVSA-N	-1	0	295.294	3.431	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708877	623003897	/nfs/dbraw/zinc/00/38/97/623003897.db2.gz	OYPSVEYBTOLMQR-UHFFFAOYSA-N	-1	0	289.784	3.421	20	30		CGEDRM
O=C(/C=C/c1cccc(O)c1)c1ccc([O-])c(F)c1	ZINC000170851938	623103594	/nfs/dbraw/zinc/10/35/94/623103594.db2.gz	BHSKHAFTYCNDBY-GQCTYLIASA-N	-1	0	258.248	3.133	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000172818530	623281749	/nfs/dbraw/zinc/28/17/49/623281749.db2.gz	RQUZBLIARQJXRK-SNAWJCMRSA-N	-1	0	263.293	3.192	20	30		CGEDRM
CC[C@@H](C)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000153453370	623892038	/nfs/dbraw/zinc/89/20/38/623892038.db2.gz	UBQHIPHKNHHWAR-LLVKDONJSA-N	-1	0	263.385	3.388	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F	ZINC000916240525	624123759	/nfs/dbraw/zinc/12/37/59/624123759.db2.gz	FKDDZWRLYWVBBB-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
C=CCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255153	624125976	/nfs/dbraw/zinc/12/59/76/624125976.db2.gz	FWCIGXKRJJBDTD-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2ccc(OCC(=O)[O-])cc2)c1	ZINC000916346528	624148687	/nfs/dbraw/zinc/14/86/87/624148687.db2.gz	HCGOIKZFTKYRCA-UHFFFAOYSA-N	-1	0	298.342	3.213	20	30		CGEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccccc1	ZINC000916868076	624220297	/nfs/dbraw/zinc/22/02/97/624220297.db2.gz	NCSYEBSDPYHFBK-MRXNPFEDSA-N	-1	0	289.334	3.310	20	30		CGEDRM
C[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000920178888	624453937	/nfs/dbraw/zinc/45/39/37/624453937.db2.gz	YZBIBAGJADWLFA-CUXJQWCSSA-N	-1	0	282.727	3.419	20	30		CGEDRM
CCOC(=O)[C@H](C)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000920173726	624454390	/nfs/dbraw/zinc/45/43/90/624454390.db2.gz	VSKVQIPFHXFRCP-VQIYEXGWSA-N	-1	0	290.146	3.070	20	30		CGEDRM
O=C(C=Cc1ccc2c(c1)CCO2)c1sccc1[O-]	ZINC000184517574	625243222	/nfs/dbraw/zinc/24/32/22/625243222.db2.gz	VKIWUYGYUAXZLX-HNQUOIGGSA-N	-1	0	272.325	3.285	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1cccc(F)c1F	ZINC000751134185	626377491	/nfs/dbraw/zinc/37/74/91/626377491.db2.gz	WOANGSPKCYATMC-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
O=C([N-][C@H](C1CCCC1)C(F)(F)F)C(F)(F)C(F)F	ZINC000752472535	626428969	/nfs/dbraw/zinc/42/89/69/626428969.db2.gz	DCNPHQRJGOFVQZ-ZCFIWIBFSA-N	-1	0	295.198	3.124	20	30		CGEDRM
C[C@@H]1CCC(=NNc2[n-]cnc3ncnc2-3)c2ccccc21	ZINC000752726189	626435915	/nfs/dbraw/zinc/43/59/15/626435915.db2.gz	FEJXDOSMMNXINB-SNVBAGLBSA-N	-1	0	292.346	3.066	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccoc1	ZINC000755872247	626655487	/nfs/dbraw/zinc/65/54/87/626655487.db2.gz	OUVYPKBHENJLGB-UHFFFAOYSA-N	-1	0	278.695	3.467	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC(C)(C)C	ZINC000756899112	626739545	/nfs/dbraw/zinc/73/95/45/626739545.db2.gz	QMZBRAFMFQYCFI-UHFFFAOYSA-N	-1	0	264.325	3.227	20	30		CGEDRM
CCC(=NOCC(C)C)c1cc(C(=O)[O-])ccc1F	ZINC000756895796	626739745	/nfs/dbraw/zinc/73/97/45/626739745.db2.gz	WPDCOOXKYNMHHS-UHFFFAOYSA-N	-1	0	267.300	3.311	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CC=CCC1	ZINC000756905567	626740425	/nfs/dbraw/zinc/74/04/25/626740425.db2.gz	DFOMBCJFXPRQEA-NSHDSACASA-N	-1	0	274.320	3.147	20	30		CGEDRM
O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1[O-]	ZINC000757474378	626781688	/nfs/dbraw/zinc/78/16/88/626781688.db2.gz	LCIZVDSRKAMSSQ-ZHACJKMWSA-N	-1	0	290.322	3.474	20	30		CGEDRM
CC(=NNc1cccc(C)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758091106	626826197	/nfs/dbraw/zinc/82/61/97/626826197.db2.gz	UPJUACSASACLLI-UHFFFAOYSA-N	-1	0	285.303	3.445	20	30		CGEDRM
CC(=NNc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758094884	626827000	/nfs/dbraw/zinc/82/70/00/626827000.db2.gz	SLKZWYYUSHTIHF-UHFFFAOYSA-N	-1	0	289.266	3.276	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759092165	626874158	/nfs/dbraw/zinc/87/41/58/626874158.db2.gz	WOIFSZPKUKZMST-FNORWQNLSA-N	-1	0	294.266	3.068	20	30		CGEDRM
O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccco2)c1	ZINC000762306458	627104963	/nfs/dbraw/zinc/10/49/63/627104963.db2.gz	WQZRYDFFHUPOAD-SREVYHEPSA-N	-1	0	286.283	3.029	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1	ZINC000805256498	627122670	/nfs/dbraw/zinc/12/26/70/627122670.db2.gz	OFOVESGARPFBJD-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000764443836	627207722	/nfs/dbraw/zinc/20/77/22/627207722.db2.gz	YNTFKKMDLYSKNU-SNAWJCMRSA-N	-1	0	278.304	3.498	20	30		CGEDRM
O=C(/C=C/c1cncnc1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766034937	627289876	/nfs/dbraw/zinc/28/98/76/627289876.db2.gz	VFZTYJLTAVLPRQ-OWOJBTEDSA-N	-1	0	295.125	3.385	20	30		CGEDRM
Cc1cc(/C=C\C(=O)c2ccccc2[O-])ccc1C#N	ZINC000766490908	627336927	/nfs/dbraw/zinc/33/69/27/627336927.db2.gz	LCOIYZAUOSYQMT-CLFYSBASSA-N	-1	0	263.296	3.468	20	30		CGEDRM
CCc1nc2ccccc2n1N=Cc1ccc(C(=O)[O-])cc1	ZINC000767364175	627401702	/nfs/dbraw/zinc/40/17/02/627401702.db2.gz	WXDWINBJQLOMFT-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
CCc1nc2ccccc2n1N=Cc1ccccc1C(=O)[O-]	ZINC000767374153	627402909	/nfs/dbraw/zinc/40/29/09/627402909.db2.gz	RDWVKTXIWVTYSE-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
CCON=C(C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000767470715	627410432	/nfs/dbraw/zinc/41/04/32/627410432.db2.gz	ZQDBNEILPGLIQN-UHFFFAOYSA-N	-1	0	273.288	3.405	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)Nc1c([O-])cccc1F	ZINC000770861506	627648620	/nfs/dbraw/zinc/64/86/20/627648620.db2.gz	JGMOHDDOUUUIJO-CMDGGOBGSA-N	-1	0	282.274	3.055	20	30		CGEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cc(F)c([O-])c(F)c1	ZINC000773161087	627864368	/nfs/dbraw/zinc/86/43/68/627864368.db2.gz	OUPIGNFYQLQRAH-QDEBKDIKSA-N	-1	0	298.248	3.035	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2cccc(Cl)c2[O-])c1	ZINC000775713845	628128359	/nfs/dbraw/zinc/12/83/59/628128359.db2.gz	KFBBBVNMRWOUNW-UHFFFAOYSA-N	-1	0	285.730	3.304	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000776192879	628178870	/nfs/dbraw/zinc/17/88/70/628178870.db2.gz	ULFYUNACEOHJDU-XQRVVYSFSA-N	-1	0	298.298	3.154	20	30		CGEDRM
CC(=NNc1ccccc1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776758911	628230675	/nfs/dbraw/zinc/23/06/75/628230675.db2.gz	ZSSPFNXVZWKVCD-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
CSc1ccccc1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000777428859	628269572	/nfs/dbraw/zinc/26/95/72/628269572.db2.gz	ZVXOBGDMLGYUOJ-UHFFFAOYSA-N	-1	0	298.367	3.167	20	30		CGEDRM
CC1(C)CCC[C@H]1NN=Cc1cc(F)c([O-])c(F)c1	ZINC000782288630	628634308	/nfs/dbraw/zinc/63/43/08/628634308.db2.gz	RKMXJQBVTNQAHR-GFCCVEGCSA-N	-1	0	268.307	3.173	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)nc1	ZINC000789005717	629096300	/nfs/dbraw/zinc/09/63/00/629096300.db2.gz	STFIKBSQORFRSI-AWEZNQCLSA-N	-1	0	295.342	3.168	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNc1ncccc1C)CCC2	ZINC000790193206	629193135	/nfs/dbraw/zinc/19/31/35/629193135.db2.gz	YFGJLAXWMOAEBC-UHFFFAOYSA-N	-1	0	299.330	3.142	20	30		CGEDRM
CC[C@@H](NN=C(CCC(C)(C)C)c1cscn1)C(=O)[O-]	ZINC000793054823	629405327	/nfs/dbraw/zinc/40/53/27/629405327.db2.gz	HKTHSZKTJRAWMS-SNVBAGLBSA-N	-1	0	297.424	3.126	20	30		CGEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1c(F)cccc1Cl	ZINC000793058337	629406665	/nfs/dbraw/zinc/40/66/65/629406665.db2.gz	TTYMCYISIFKBFL-LLVKDONJSA-N	-1	0	286.734	3.046	20	30		CGEDRM
CC[C@@H](NN=C1CCC2(CCCCC2)CC1)C(=O)[O-]	ZINC000793071430	629408157	/nfs/dbraw/zinc/40/81/57/629408157.db2.gz	IQTRTIJTIWUMKZ-CYBMUJFWSA-N	-1	0	266.385	3.320	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c([O-])c1	ZINC000014777824	629668464	/nfs/dbraw/zinc/66/84/64/629668464.db2.gz	MOESXQFGHNEYAH-RUDMXATFSA-N	-1	0	270.284	3.003	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccc3c2OCO3)c1	ZINC000806558633	630566648	/nfs/dbraw/zinc/56/66/48/630566648.db2.gz	HWNADRZQCYBGHP-BQYQJAHWSA-N	-1	0	296.278	3.010	20	30		CGEDRM
CC(C)(O)c1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000807958349	630608385	/nfs/dbraw/zinc/60/83/85/630608385.db2.gz	UWRMNSOHEDDPKJ-UHFFFAOYSA-N	-1	0	298.342	3.058	20	30		CGEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1	ZINC000810533661	630886997	/nfs/dbraw/zinc/88/69/97/630886997.db2.gz	SAWWIHQUFHPYLE-INIZCTEOSA-N	-1	0	296.370	3.101	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)n1	ZINC000811693549	631110548	/nfs/dbraw/zinc/11/05/48/631110548.db2.gz	KLUONFMGIIURDC-ARJAWSKDSA-N	-1	0	290.731	3.270	20	30		CGEDRM
[O-]c1c(Br)cccc1C=NOC1CCC1	ZINC000812235696	631226416	/nfs/dbraw/zinc/22/64/16/631226416.db2.gz	OJBSHORZLMFBOO-UHFFFAOYSA-N	-1	0	270.126	3.058	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]OCCOC(C)C)c1ccccc1	ZINC000812800712	631315931	/nfs/dbraw/zinc/31/59/31/631315931.db2.gz	CLCYCCGBEPTEGT-INIZCTEOSA-N	-1	0	291.391	3.209	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](c1cccc(Cl)c1)C(C)C	ZINC000837047292	634847780	/nfs/dbraw/zinc/84/77/80/634847780.db2.gz	DGEDHGIHXJTNOS-CYBMUJFWSA-N	-1	0	267.756	3.313	20	30		CGEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc(OCC(C)C)cc1	ZINC000837047021	634847950	/nfs/dbraw/zinc/84/79/50/634847950.db2.gz	UYNGXRIDAWPKIU-UHFFFAOYSA-N	-1	0	291.391	3.233	20	30		CGEDRM
CC[C@H](C)CON=c1[n-]c(C)c(C#N)cc1Cl	ZINC000813622777	631446375	/nfs/dbraw/zinc/44/63/75/631446375.db2.gz	SJGJFMLSUDBPOA-QMMMGPOBSA-N	-1	0	253.733	3.305	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCC2)n1	ZINC000842677545	631448041	/nfs/dbraw/zinc/44/80/41/631448041.db2.gz	CZQQBMWRUGUNGW-SYTKJHMZSA-N	-1	0	260.362	3.374	20	30		CGEDRM
CC(N=Nc1cccc(C#N)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814786749	631639791	/nfs/dbraw/zinc/63/97/91/631639791.db2.gz	QOBNNPFCLBHWDQ-HIFRSBDPSA-N	-1	0	299.374	3.483	20	30		CGEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1	ZINC000814814993	631647856	/nfs/dbraw/zinc/64/78/56/631647856.db2.gz	IHIJQMJYBAYXKQ-MBNYWOFBSA-N	-1	0	274.364	3.214	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccc(F)cn1	ZINC000814842309	631653860	/nfs/dbraw/zinc/65/38/60/631653860.db2.gz	BJIKEZNFPLCTQE-UHFFFAOYSA-N	-1	0	281.331	3.434	20	30		CGEDRM
C[C@H]1C(N=Nc2c(F)cccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814853049	631655815	/nfs/dbraw/zinc/65/58/15/631655815.db2.gz	ZLFWQZZNRRLKDD-RKDXNWHRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
Cc1cccnc1N=NC1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814911736	631678693	/nfs/dbraw/zinc/67/86/93/631678693.db2.gz	SDAJISPNRGLHMM-RYUDHWBXSA-N	-1	0	289.379	3.315	20	30		CGEDRM
Cc1cccnc1N=NC1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814911734	631679335	/nfs/dbraw/zinc/67/93/35/631679335.db2.gz	SDAJISPNRGLHMM-NWDGAFQWSA-N	-1	0	289.379	3.315	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000814923568	631683821	/nfs/dbraw/zinc/68/38/21/631683821.db2.gz	KEEFHKAKLJZTLV-NWDGAFQWSA-N	-1	0	291.347	3.089	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC3CCC2CC3)c1	ZINC000815878242	631829319	/nfs/dbraw/zinc/82/93/19/631829319.db2.gz	YMWKQLBCSQYEDE-GDKBPFBDSA-N	-1	0	270.332	3.029	20	30		CGEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OC[C@H](C)CC	ZINC000816978308	632067480	/nfs/dbraw/zinc/06/74/80/632067480.db2.gz	QMQGNWWEJMTCDA-CHWSQXEVSA-N	-1	0	272.389	3.052	20	30		CGEDRM
CCCCCCCC(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000823341509	633091646	/nfs/dbraw/zinc/09/16/46/633091646.db2.gz	YLCWWEANXLJBFR-OAHLLOKOSA-N	-1	0	271.401	3.353	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1cccc(-c2nn[nH]n2)c1	ZINC000824939915	633308165	/nfs/dbraw/zinc/30/81/65/633308165.db2.gz	XZVTZGRZTXSBNP-DGCLKSJQSA-N	-1	0	284.367	3.091	20	30		CGEDRM
C#CC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000827056015	633452863	/nfs/dbraw/zinc/45/28/63/633452863.db2.gz	FUZJPONHRNROEI-SECBINFHSA-N	-1	0	298.169	3.184	20	30		CGEDRM
C=CC(C)(C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1	ZINC000827169137	633466648	/nfs/dbraw/zinc/46/66/48/633466648.db2.gz	GZXDGUVHXRJYCQ-UHFFFAOYSA-N	-1	0	287.281	3.465	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2coc(C#N)c2)s1	ZINC000870340768	633560722	/nfs/dbraw/zinc/56/07/22/633560722.db2.gz	YMKDUQCQJXIHEU-NSHDSACASA-N	-1	0	299.355	3.395	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000831034140	633911646	/nfs/dbraw/zinc/91/16/46/633911646.db2.gz	YRQMZWARKMDEBS-UONOGXRCSA-N	-1	0	298.427	3.099	20	30		CGEDRM
COc1cccc(NN=C(C)c2ccc(C(=O)[O-])cc2)c1	ZINC000832562584	634072417	/nfs/dbraw/zinc/07/24/17/634072417.db2.gz	OACCCGVKLWZCLK-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
O=C([O-])c1ccc(N=NC(C2CCC2)[C@H]2CCCO2)cc1	ZINC000872323940	634108826	/nfs/dbraw/zinc/10/88/26/634108826.db2.gz	FQPQIZUQNVIOQW-CQSZACIVSA-N	-1	0	288.347	3.132	20	30		CGEDRM
C=CCCC(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833373461	634118636	/nfs/dbraw/zinc/11/86/36/634118636.db2.gz	PYPFHQJAMRKKGR-GFCCVEGCSA-N	-1	0	286.686	3.114	20	30		CGEDRM
O=C([O-])c1cccc2c1C(=NOCCC(F)(F)F)CC2	ZINC000872365886	634119773	/nfs/dbraw/zinc/11/97/73/634119773.db2.gz	JAPFXGVLVPRGKJ-UHFFFAOYSA-N	-1	0	287.237	3.004	20	30		CGEDRM
CCCC(N=Nc1ccc(C(=O)[O-])nc1)c1cc(C)ccn1	ZINC000872379901	634127372	/nfs/dbraw/zinc/12/73/72/634127372.db2.gz	QCBLJZVWKBEELS-UHFFFAOYSA-N	-1	0	298.346	3.100	20	30		CGEDRM
C[C@@H]1CC(=NNC2CCC(C)(C)CC2)CC[C@@H]1C(=O)[O-]	ZINC000872395335	634130584	/nfs/dbraw/zinc/13/05/84/634130584.db2.gz	IOWMDTCMPIFYIR-RISCZKNCSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOC(C)C	ZINC000834999926	634307448	/nfs/dbraw/zinc/30/74/48/634307448.db2.gz	FQFOJIBZOOELBK-CYBMUJFWSA-N	-1	0	293.363	3.272	20	30		CGEDRM
C[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009885	634314486	/nfs/dbraw/zinc/31/44/86/634314486.db2.gz	GYICOJHUVNDPOV-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
N#CC(=C([O-])C=C[C@H]1CCOC1)c1nc2ccccc2s1	ZINC000835040083	634329786	/nfs/dbraw/zinc/32/97/86/634329786.db2.gz	NZAUILNTPHFVIF-ABZJQCSKSA-N	-1	0	298.367	3.065	20	30		CGEDRM
O=C(C#CC1CC1)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000837505894	634922655	/nfs/dbraw/zinc/92/26/55/634922655.db2.gz	AVOFSTASHHWMAL-UHFFFAOYSA-N	-1	0	270.115	3.051	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])nc1)[C@@H]1CC1(C)C	ZINC000841641906	635206186	/nfs/dbraw/zinc/20/61/86/635206186.db2.gz	YXUSKOPOVJELFM-JTQLQIEISA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=CCCCCO[N-]C(=O)C(C)(C)c1ccccc1	ZINC000842028250	635259121	/nfs/dbraw/zinc/25/91/21/635259121.db2.gz	QDBIQURGNRIJFQ-UHFFFAOYSA-N	-1	0	261.365	3.368	20	30		CGEDRM
CC(=NNC12CC(C1)C2)c1ccc2ccccc2c1O	ZINC000842546794	635399442	/nfs/dbraw/zinc/39/94/42/635399442.db2.gz	BWMXRNRUDKZFAB-UHFFFAOYSA-N	-1	0	266.344	3.412	20	30		CGEDRM
CC(C)c1ncc(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000127135101	635521367	/nfs/dbraw/zinc/52/13/67/635521367.db2.gz	RPSRJHWACOZSLO-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
Cc1c(N=NC2CCOC3(CCC3)C2)cccc1C(=O)[O-]	ZINC000844622945	635944973	/nfs/dbraw/zinc/94/49/73/635944973.db2.gz	JHQXGAJXSWPMGG-UHFFFAOYSA-N	-1	0	288.347	3.194	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccc(F)cc1)C(C)C	ZINC000846546823	636197898	/nfs/dbraw/zinc/19/78/98/636197898.db2.gz	GOCDJJOYXKOBTQ-SMDDNHRTSA-N	-1	0	265.328	3.188	20	30		CGEDRM
C=CC[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000853326091	637811524	/nfs/dbraw/zinc/81/15/24/637811524.db2.gz	RIWBHEVQUFMPTQ-NSHDSACASA-N	-1	0	273.336	3.314	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000853379127	637827469	/nfs/dbraw/zinc/82/74/69/637827469.db2.gz	GIWCFRTVYYDLCP-JTQLQIEISA-N	-1	0	280.755	3.247	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccc(F)cc2)c1	ZINC000116055640	638695589	/nfs/dbraw/zinc/69/55/89/638695589.db2.gz	QHGIXQZOZAJECB-TWGQIWQCSA-N	-1	0	270.259	3.420	20	30		CGEDRM
C=CCN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000935224490	639769266	/nfs/dbraw/zinc/76/92/66/639769266.db2.gz	PVGQZSUIYIZJNH-UHFFFAOYSA-N	-1	0	286.158	3.490	20	30		CGEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042319799	639915694	/nfs/dbraw/zinc/91/56/94/639915694.db2.gz	TYXJBGURNJSAMT-VNDWYCCKSA-N	-1	0	291.372	3.300	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518330	640056399	/nfs/dbraw/zinc/05/63/99/640056399.db2.gz	KXXXIKHTYORSQB-ZHACJKMWSA-N	-1	0	281.377	3.380	20	30		CGEDRM
N#CC(=C([O-])C=C1CCC1)c1nc2ccccc2o1	ZINC000088804879	640624610	/nfs/dbraw/zinc/62/46/10/640624610.db2.gz	TVRHPCYMCRGROO-NSHDSACASA-N	-1	0	252.273	3.114	20	30		CGEDRM
S=c1[n-]nc(-c2ccco2)n1N=Cc1ccccc1	ZINC000254799284	640915449	/nfs/dbraw/zinc/91/54/49/640915449.db2.gz	WTFCTCAZBGMWSF-UHFFFAOYSA-N	-1	0	270.317	3.083	20	30		CGEDRM
N#Cc1cccc(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001250584153	805708980	/nfs/dbraw/zinc/70/89/80/805708980.db2.gz	LYHIOXZUNAKOQT-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001250633772	805739578	/nfs/dbraw/zinc/73/95/78/805739578.db2.gz	FXWTZWYLOBLLOM-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1c(F)cc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001211686960	814931847	/nfs/dbraw/zinc/93/18/47/814931847.db2.gz	MVSGXHJCMDFMMH-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
C=CC[C@H](NC(=O)C1CCC(CCCC)CC1)C(=O)[O-]	ZINC000150230537	799053561	/nfs/dbraw/zinc/05/35/61/799053561.db2.gz	OWDKOIYOMCJADS-RUXDESIVSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1F	ZINC000176398307	799095572	/nfs/dbraw/zinc/09/55/72/799095572.db2.gz	BFHQQKQCTLCNBV-JTQLQIEISA-N	-1	0	284.290	3.145	20	30		CGEDRM
C#C[C@@H](CCC)NC(=O)c1ccc2ccccc2c1O	ZINC000229952196	799140178	/nfs/dbraw/zinc/14/01/78/799140178.db2.gz	ACSZJIAOLWADBB-ZDUSSCGKSA-N	-1	0	267.328	3.077	20	30		CGEDRM
N#CCc1cccc(NC(=O)Cc2ccc([S-])cc2)c1	ZINC000313495971	799232644	/nfs/dbraw/zinc/23/26/44/799232644.db2.gz	PUKFMRKLUBNREN-UHFFFAOYSA-N	-1	0	282.368	3.223	20	30		CGEDRM
C=CCCCCCCN=c1[n-]c([C@@H](C)OC)ns1	ZINC000380698659	799365880	/nfs/dbraw/zinc/36/58/80/799365880.db2.gz	WNQMLLPSMUREBT-LLVKDONJSA-N	-1	0	269.414	3.216	20	30		CGEDRM
Cn1nccc1/C=C\C(=O)c1cc(Cl)c(Cl)cc1[O-]	ZINC000588594511	799719264	/nfs/dbraw/zinc/71/92/64/799719264.db2.gz	MEUUHYRDSSKIES-IHWYPQMZSA-N	-1	0	297.141	3.329	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000588618394	799722210	/nfs/dbraw/zinc/72/22/10/799722210.db2.gz	QFXZONBTGIXYJE-VURMDHGXSA-N	-1	0	294.266	3.068	20	30		CGEDRM
N#Cc1ccnc(/C=C\c2cccc(C(=O)[O-])c2Cl)c1	ZINC001116907859	802428040	/nfs/dbraw/zinc/42/80/40/802428040.db2.gz	WFYQXEYOGAABQN-PLNGDYQASA-N	-1	0	284.702	3.475	20	30		CGEDRM
C=CC[C@H](NC(=O)C[C@H](CC)c1ccc(C)cc1)C(=O)[O-]	ZINC001116921965	802428910	/nfs/dbraw/zinc/42/89/10/802428910.db2.gz	KYKWDCRSRJGSHD-ZFWWWQNUSA-N	-1	0	289.375	3.024	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])s2)s1	ZINC001174806138	809166766	/nfs/dbraw/zinc/16/67/66/809166766.db2.gz	UNAAAZCFADNCFD-UHFFFAOYSA-N	-1	0	264.331	3.432	20	30		CGEDRM
Cc1cc(-c2ncc(C#N)cc2C#N)cc(Cl)c1[O-]	ZINC001244530334	803421468	/nfs/dbraw/zinc/42/14/68/803421468.db2.gz	LESCPDJWVYJNQU-UHFFFAOYSA-N	-1	0	269.691	3.159	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244615785	803466200	/nfs/dbraw/zinc/46/62/00/803466200.db2.gz	WZFJRXKURYZYMN-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1cnc(-c2ccc(Cl)c([O-])c2F)cc1C#N	ZINC001244630237	803472819	/nfs/dbraw/zinc/47/28/19/803472819.db2.gz	ARJYIWFOLITONQ-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1cc(-c2ccc(Cl)c([O-])c2F)ncc1C#N	ZINC001244629567	803472965	/nfs/dbraw/zinc/47/29/65/803472965.db2.gz	CHNBHMPIUHBKLP-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1ccc(C#N)c(-c2ccc(Cl)c([O-])c2F)n1	ZINC001244632862	803475991	/nfs/dbraw/zinc/47/59/91/803475991.db2.gz	CZZLFIKYRZWUHB-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cc(-c2cnc(C#N)c(F)c2)cc(C)c1C(=O)[O-]	ZINC001244946373	803586773	/nfs/dbraw/zinc/58/67/73/803586773.db2.gz	NPMUSWWUSGGTJQ-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1cc(-c2ncc3c(c2C#N)CCC3)cc(C)c1C(=O)[O-]	ZINC001244946900	803586964	/nfs/dbraw/zinc/58/69/64/803586964.db2.gz	UISSKUAAPZNWBN-UHFFFAOYSA-N	-1	0	292.338	3.424	20	30		CGEDRM
N#Cc1ccc(-c2ccc([O-])cc2Cl)c(C#N)c1	ZINC001245081433	803636284	/nfs/dbraw/zinc/63/62/84/803636284.db2.gz	GCAFXAOTZHQJIY-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc(CC#N)c(C#N)c1	ZINC001245301288	803695740	/nfs/dbraw/zinc/69/57/40/803695740.db2.gz	PIXJYKOOSVACJI-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
COc1nccc(Nc2scc([O-])c2C#N)c1Cl	ZINC001211945260	814958799	/nfs/dbraw/zinc/95/87/99/814958799.db2.gz	BXJNOBMRAIXLLJ-UHFFFAOYSA-N	-1	0	281.724	3.126	20	30		CGEDRM
N#Cc1c(F)cncc1-c1c(F)ccc([O-])c1Cl	ZINC001245831678	803986044	/nfs/dbraw/zinc/98/60/44/803986044.db2.gz	HTGVZFIRYJHOEM-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1ccccc1-c1cc(=O)n(-c2ccc(C#N)cc2)[n-]1	ZINC001245935217	804065805	/nfs/dbraw/zinc/06/58/05/804065805.db2.gz	CTWFHCLNCSVLOR-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(Cc3cccc(F)c3)[n-]2)c1	ZINC001245937305	804068140	/nfs/dbraw/zinc/06/81/40/804068140.db2.gz	MBKBGGVTJABHSR-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
Cc1ccc(-c2cc(=O)n(-c3ccccc3C#N)[n-]2)s1	ZINC001245946126	804078336	/nfs/dbraw/zinc/07/83/36/804078336.db2.gz	DLTWOKNHDGJKLR-UHFFFAOYSA-N	-1	0	281.340	3.487	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2cccc(Cl)c2C)[nH]1	ZINC001245952134	804086333	/nfs/dbraw/zinc/08/63/33/804086333.db2.gz	QGUFDMUQAOHRSV-UHFFFAOYSA-N	-1	0	260.724	3.106	20	30		CGEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140834246	804532070	/nfs/dbraw/zinc/53/20/70/804532070.db2.gz	LRKBIZVDZZTEOW-SECBINFHSA-N	-1	0	285.174	3.435	20	30		CGEDRM
CCCCCCCCNC(=S)Nc1cncc(O)c1	ZINC001247141764	804668402	/nfs/dbraw/zinc/66/84/02/804668402.db2.gz	XGUTXFGMZIAQEQ-UHFFFAOYSA-N	-1	0	281.425	3.434	20	30		CGEDRM
N#Cc1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)c([O-])cc1F	ZINC001144302749	804970604	/nfs/dbraw/zinc/97/06/04/804970604.db2.gz	FUDFFXLTJAVHEV-OUAUKWLOSA-N	-1	0	288.322	3.168	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1C#N	ZINC001212514511	815046242	/nfs/dbraw/zinc/04/62/42/815046242.db2.gz	WYZBINNCEDQSGO-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#Cc1cc(NC(=O)CC2=CCCCC2)c([O-])cc1F	ZINC001146738837	805086300	/nfs/dbraw/zinc/08/63/00/805086300.db2.gz	VIAVHSRBXFSBQT-UHFFFAOYSA-N	-1	0	274.295	3.232	20	30		CGEDRM
C=C(C)CNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001148812669	805211240	/nfs/dbraw/zinc/21/12/40/805211240.db2.gz	YDCWCXQDXZAZQF-UHFFFAOYSA-N	-1	0	260.120	3.005	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cc3[nH]ccc3s2)ccc1O	ZINC001149861460	805245861	/nfs/dbraw/zinc/24/58/61/805245861.db2.gz	MPHIEFGEERKIHI-UHFFFAOYSA-N	-1	0	283.312	3.059	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1	ZINC001249963507	805330044	/nfs/dbraw/zinc/33/00/44/805330044.db2.gz	YWRZOJCUYPCSTI-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249965174	805333166	/nfs/dbraw/zinc/33/31/66/805333166.db2.gz	YPSXDNPLKXTCKG-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1cnc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)c([O-])c1	ZINC001153382515	805394746	/nfs/dbraw/zinc/39/47/46/805394746.db2.gz	YFYWZONMCVQJRT-UHFFFAOYSA-N	-1	0	293.326	3.097	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cc(F)cc(F)c1[O-]	ZINC001154223400	805440379	/nfs/dbraw/zinc/44/03/79/805440379.db2.gz	HYQJVBOMEZYMBJ-UHFFFAOYSA-N	-1	0	283.318	3.393	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2ccc(C(=O)[O-])cc2Cl)cc1	ZINC001250208933	805491728	/nfs/dbraw/zinc/49/17/28/805491728.db2.gz	RHRJBCNJRCGOEV-UHFFFAOYSA-N	-1	0	299.713	3.335	20	30		CGEDRM
N#Cc1cccc(C([O-])=Cc2c(F)ccc(F)c2F)c1	ZINC001250285533	805542245	/nfs/dbraw/zinc/54/22/45/805542245.db2.gz	DOXFXXLRBAIHNF-UHFFFAOYSA-N	-1	0	275.229	3.401	20	30		CGEDRM
Cc1ccccc1Cc1nnc(CCC(=O)C2=CC=C[CH]2)o1	ZINC001258421353	807446097	/nfs/dbraw/zinc/44/60/97/807446097.db2.gz	AUHFZXJKWQTNFF-UHFFFAOYSA-N	-1	0	293.346	3.171	20	30		CGEDRM
N#Cc1cc(Nc2cccnc2C2CC2)c([O-])cc1F	ZINC001212740796	815121196	/nfs/dbraw/zinc/12/11/96/815121196.db2.gz	SUWVCGPMERUGEX-UHFFFAOYSA-N	-1	0	269.279	3.419	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)c(C#N)c1	ZINC001174684619	809130134	/nfs/dbraw/zinc/13/01/34/809130134.db2.gz	BJNSRQLRLOLWFJ-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1cccc(Nc2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001174951648	809212330	/nfs/dbraw/zinc/21/23/30/809212330.db2.gz	ACNREFAMFQWOMB-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
CCOc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001175091970	809265882	/nfs/dbraw/zinc/26/58/82/809265882.db2.gz	GVYHPHGKAHIWBE-UHFFFAOYSA-N	-1	0	260.318	3.468	20	30		CGEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1F	ZINC001175157572	809291239	/nfs/dbraw/zinc/29/12/39/809291239.db2.gz	IWNDPDPOWOZSAX-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175159714	809292503	/nfs/dbraw/zinc/29/25/03/809292503.db2.gz	GBWHKDMRBBPSIS-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccc(F)c(C(=O)[O-])c2)c1F	ZINC001175220637	809313149	/nfs/dbraw/zinc/31/31/49/809313149.db2.gz	UMBRPIVHVFZGMG-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(Nc2cccc(C(=O)[O-])c2)c1F	ZINC001175328685	809356446	/nfs/dbraw/zinc/35/64/46/809356446.db2.gz	AXWPIBRTHRFSQV-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
C=C1CCC(CNC(=O)c2cccc(F)c2[O-])CC1	ZINC001288665546	809367509	/nfs/dbraw/zinc/36/75/09/809367509.db2.gz	XSCSNPSPCZDSGI-UHFFFAOYSA-N	-1	0	263.312	3.008	20	30		CGEDRM
Cc1cc(C#N)cc(Cl)c1Nc1cncc(C(=O)[O-])c1	ZINC001175841999	809553269	/nfs/dbraw/zinc/55/32/69/809553269.db2.gz	JQHARIJGBGOTFQ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1csc(C(=O)[O-])c1	ZINC001176437733	809697742	/nfs/dbraw/zinc/69/77/42/809697742.db2.gz	ZKIFUHKKFAJOGS-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2ccc(F)c(C#N)c2)c1	ZINC001176617832	809731903	/nfs/dbraw/zinc/73/19/03/809731903.db2.gz	PSBNFFHMIBYJQC-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)c(C#N)c1	ZINC001176715822	809749274	/nfs/dbraw/zinc/74/92/74/809749274.db2.gz	RASUIVQVOBLNJL-UHFFFAOYSA-N	-1	0	280.283	3.203	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001177114332	809781467	/nfs/dbraw/zinc/78/14/67/809781467.db2.gz	UATYLFGSNZBEEM-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
N#Cc1ccc(NC(=O)Cc2occ3ccccc32)c(O)c1	ZINC001182501991	810112812	/nfs/dbraw/zinc/11/28/12/810112812.db2.gz	AUEJVZOHTQEFOR-UHFFFAOYSA-N	-1	0	292.294	3.191	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1csc2cnccc12	ZINC001184240754	810184404	/nfs/dbraw/zinc/18/44/04/810184404.db2.gz	FEJWQIPOXQZCBN-UHFFFAOYSA-N	-1	0	297.359	3.285	20	30		CGEDRM
CCCCN(O)C(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC001184314647	810190562	/nfs/dbraw/zinc/19/05/62/810190562.db2.gz	DNZZLNLDCRLQML-SNVBAGLBSA-N	-1	0	271.744	3.125	20	30		CGEDRM
Cc1cc(C#N)c(F)cc1NC(=O)c1ccc([O-])c(F)c1	ZINC001186226026	810321421	/nfs/dbraw/zinc/32/14/21/810321421.db2.gz	KEKZDNXAYKTQNA-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)NCCCc2ccccc2)c1	ZINC001191208327	810688887	/nfs/dbraw/zinc/68/88/87/810688887.db2.gz	KYCDLVSOBHCCLJ-UHFFFAOYSA-N	-1	0	295.342	3.018	20	30		CGEDRM
Cn1c(NC(=O)c2ccc([O-])c(C#N)c2)cc2ccccc21	ZINC001193499377	810898152	/nfs/dbraw/zinc/89/81/52/810898152.db2.gz	PWTFYXMJGVQBDT-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(C#N)c2[O-])c1	ZINC001193657894	810930179	/nfs/dbraw/zinc/93/01/79/810930179.db2.gz	KOCOUDKBNUFNCM-CYBMUJFWSA-N	-1	0	294.354	3.372	20	30		CGEDRM
Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)s1	ZINC001194615858	811094942	/nfs/dbraw/zinc/09/49/42/811094942.db2.gz	KQTIVUDTXWXAAE-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1cccc(NC(=S)Nc2ccc(O)c(C#N)c2)c1	ZINC001198690809	811535811	/nfs/dbraw/zinc/53/58/11/811535811.db2.gz	VIAZCHQHBGYELK-UHFFFAOYSA-N	-1	0	283.356	3.381	20	30		CGEDRM
N#Cc1oc2ccccc2c1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215102674	815482787	/nfs/dbraw/zinc/48/27/87/815482787.db2.gz	FACHLIKMZVVAII-UHFFFAOYSA-N	-1	0	297.245	3.280	20	30		CGEDRM
CC(C)(C#N)c1cccc(Nc2cnc(F)c(C(=O)[O-])c2)c1	ZINC001215111186	815483587	/nfs/dbraw/zinc/48/35/87/815483587.db2.gz	FGLYBOQTORPKHW-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
CC(C)(C)c1nc([N-]c2ccc(C#N)cc2F)no1	ZINC001201555760	811903100	/nfs/dbraw/zinc/90/31/00/811903100.db2.gz	LWOJPEFBCLTUDD-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
N#Cc1cc(NC(=O)Nc2ccccc2)c([O-])cc1F	ZINC001201957153	811984347	/nfs/dbraw/zinc/98/43/47/811984347.db2.gz	WHSSZTMECVJYGW-UHFFFAOYSA-N	-1	0	271.251	3.047	20	30		CGEDRM
C[C@H](NC(=O)Nc1cc(C#N)c(F)cc1[O-])c1ccccc1	ZINC001202508556	812111332	/nfs/dbraw/zinc/11/13/32/812111332.db2.gz	GNWGUYBEMYYQNB-JTQLQIEISA-N	-1	0	299.305	3.286	20	30		CGEDRM
N#Cc1ncc(Nc2cc([O-])c(Cl)cc2F)cc1F	ZINC001203056787	812231578	/nfs/dbraw/zinc/23/15/78/812231578.db2.gz	XDZAJJZEBNKOCB-UHFFFAOYSA-N	-1	0	281.649	3.334	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])cc2F)ccc1C#N	ZINC001203292378	812295795	/nfs/dbraw/zinc/29/57/95/812295795.db2.gz	NCBFGLSWJQYIHR-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N	ZINC001203328624	812312763	/nfs/dbraw/zinc/31/27/63/812312763.db2.gz	XYWONUSTQDNXSF-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2cncnc2c1	ZINC001203702915	812433645	/nfs/dbraw/zinc/43/36/45/812433645.db2.gz	XCAGRKCLQIIHTR-UHFFFAOYSA-N	-1	0	268.301	3.012	20	30		CGEDRM
CCCOc1ccc(F)c([N-]c2oncc2C#N)c1F	ZINC001215567382	815536177	/nfs/dbraw/zinc/53/61/77/815536177.db2.gz	YQMZSKXOMQQBRX-UHFFFAOYSA-N	-1	0	279.246	3.357	20	30		CGEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001205083628	812854441	/nfs/dbraw/zinc/85/44/41/812854441.db2.gz	VTKPGGMJTNLKQS-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
C[C@@H](CC(C)(C)S)OCc1ccc(C(=O)[O-])cc1	ZINC001205690114	813053698	/nfs/dbraw/zinc/05/36/98/813053698.db2.gz	MQKNNXHQXBNGLK-JTQLQIEISA-N	-1	0	268.378	3.388	20	30		CGEDRM
N#C[C@@H](OCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1	ZINC001205691625	813053888	/nfs/dbraw/zinc/05/38/88/813053888.db2.gz	ZTPIWZLBBXRIEM-OAHLLOKOSA-N	-1	0	285.274	3.305	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(F)c([O-])cc2F)n1	ZINC001206755050	813423617	/nfs/dbraw/zinc/42/36/17/813423617.db2.gz	DZNDYTQQXIBIPC-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209893686	814192075	/nfs/dbraw/zinc/19/20/75/814192075.db2.gz	KSRQGLRFXNROHN-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1c([O-])csc1NC1=CCC(F)(F)CC1	ZINC001210031630	814254317	/nfs/dbraw/zinc/25/43/17/814254317.db2.gz	UHOASUYGUBTPTC-UHFFFAOYSA-N	-1	0	256.277	3.440	20	30		CGEDRM
C#Cc1cccc(Nc2cccc(CC(=O)[O-])c2)c1	ZINC001210071275	814272994	/nfs/dbraw/zinc/27/29/94/814272994.db2.gz	QGFRGHVFZALRHM-UHFFFAOYSA-N	-1	0	251.285	3.039	20	30		CGEDRM
C[C@@H]1CC(=O)C=C(c2ccccc2/C=C/C(=O)[O-])C1	ZINC001242746045	823121211	/nfs/dbraw/zinc/12/12/11/823121211.db2.gz	SMNRULQFDPSHCY-MLRMMBSGSA-N	-1	0	256.301	3.167	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210395048	814442335	/nfs/dbraw/zinc/44/23/35/814442335.db2.gz	OSPZUJCCAZENQW-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
C[C@@H](O)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001210506384	814495711	/nfs/dbraw/zinc/49/57/11/814495711.db2.gz	HTMRAMFKXMEPFG-MRVPVSSYSA-N	-1	0	260.318	3.122	20	30		CGEDRM
CC(C)(O)c1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001210617656	814558788	/nfs/dbraw/zinc/55/87/88/814558788.db2.gz	XUWFZGPBJAMZIA-UHFFFAOYSA-N	-1	0	274.345	3.296	20	30		CGEDRM
COC(=O)c1ccc(Nc2cccc([S-])c2)c(C#N)c1	ZINC001210949833	814688346	/nfs/dbraw/zinc/68/83/46/814688346.db2.gz	OXGMHAKFVZUFOI-UHFFFAOYSA-N	-1	0	284.340	3.377	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccccc2C(=O)[O-])cc1F	ZINC001210967594	814695176	/nfs/dbraw/zinc/69/51/76/814695176.db2.gz	LRFPBMHMBMSUJP-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cccc([O-])c2Cl)n1	ZINC001242797329	823135145	/nfs/dbraw/zinc/13/51/45/823135145.db2.gz	GSHVHKHXGWBNPY-UHFFFAOYSA-N	-1	0	277.736	3.096	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cccc([O-])c2Cl)c1	ZINC001242801062	823137406	/nfs/dbraw/zinc/13/74/06/823137406.db2.gz	SAWITKKERYWZCA-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
N#Cc1cc(Nc2c([O-])cccc2F)cc([N+](=O)[O-])c1	ZINC001211328016	814879635	/nfs/dbraw/zinc/87/96/35/814879635.db2.gz	RSZCXJPDHYPIKN-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(F)c([O-])cc2F)cc1F	ZINC001211349213	814883638	/nfs/dbraw/zinc/88/36/38/814883638.db2.gz	AVBPCHBOQANHAS-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3c([O-])cccc3F)n2)c1	ZINC001215776181	815586441	/nfs/dbraw/zinc/58/64/41/815586441.db2.gz	KLGMKXBJCPXYBK-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
Cc1cc(Nc2ccsc2C#N)cc(C(=O)[O-])c1	ZINC001211537370	814902811	/nfs/dbraw/zinc/90/28/11/814902811.db2.gz	GQTHOWJTGUMWFY-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211606532	814916793	/nfs/dbraw/zinc/91/67/93/814916793.db2.gz	RKOUZBMDOBKOGH-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(C)ccnc1C#N	ZINC001211620829	814919603	/nfs/dbraw/zinc/91/96/03/814919603.db2.gz	JBDOAXAFYXPSNH-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1c(Cl)cccc1[N-]c1nonc1C1CC1	ZINC001216127335	815707282	/nfs/dbraw/zinc/70/72/82/815707282.db2.gz	RCULRPYWWAVEAE-UHFFFAOYSA-N	-1	0	260.684	3.216	20	30		CGEDRM
N#Cc1nccc(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242851092	823152690	/nfs/dbraw/zinc/15/26/90/823152690.db2.gz	WONYKYKRQBBENG-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
N#Cc1cncnc1-c1cc(Cl)c([O-])c(Cl)c1	ZINC001242851326	823152699	/nfs/dbraw/zinc/15/26/99/823152699.db2.gz	JGOXKMIWSQKKHV-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
Cc1c(Nc2c(C#N)cnn2C(C)(C)C)cccc1C(=O)[O-]	ZINC001216656643	815885933	/nfs/dbraw/zinc/88/59/33/815885933.db2.gz	CYZRIJRIHIJERV-UHFFFAOYSA-N	-1	0	298.346	3.260	20	30		CGEDRM
C#Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1F	ZINC001216685837	815893795	/nfs/dbraw/zinc/89/37/95/815893795.db2.gz	XJTHTUSXIIIPLY-UHFFFAOYSA-N	-1	0	287.265	3.317	20	30		CGEDRM
C#Cc1cccc(Nc2cc(CC(=O)[O-])ccc2F)c1	ZINC001216683690	815893800	/nfs/dbraw/zinc/89/38/00/815893800.db2.gz	UQNXMXZZGZHZSB-UHFFFAOYSA-N	-1	0	269.275	3.178	20	30		CGEDRM
Cc1cc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)ccc1F	ZINC001216967932	815904094	/nfs/dbraw/zinc/90/40/94/815904094.db2.gz	MVTNUWCULOQGNX-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3cccc(F)c3)no2)c1[O-]	ZINC001216978549	815904197	/nfs/dbraw/zinc/90/41/97/815904197.db2.gz	BATVRGZJTUFPJD-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3cccc(F)c3)no2)ccc1[O-]	ZINC001216968124	815904483	/nfs/dbraw/zinc/90/44/83/815904483.db2.gz	RUBISUSPDHAYNS-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
Cc1ccc(-c2noc(-c3ccc(C#N)cc3[O-])n2)cc1F	ZINC001217038735	815906101	/nfs/dbraw/zinc/90/61/01/815906101.db2.gz	FVTFQVZYDIMVIY-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3cccc([S-])c3)cc12	ZINC001242867727	823159368	/nfs/dbraw/zinc/15/93/68/823159368.db2.gz	OFJACVUTZRZZID-UHFFFAOYSA-N	-1	0	263.325	3.457	20	30		CGEDRM
CC(=O)[C@@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940109	816539264	/nfs/dbraw/zinc/53/92/64/816539264.db2.gz	MMEXJCIENLZJKZ-QOYDFYKXSA-N	-1	0	291.681	3.105	20	30		CGEDRM
[O-]/N=C(\O[C@@H]1CC(F)(F)C1(F)F)c1cc(F)ccc1F	ZINC001223890065	816697621	/nfs/dbraw/zinc/69/76/21/816697621.db2.gz	NAFDOJHRRVWISE-ZWJKEBRUSA-N	-1	0	299.170	3.160	20	30		CGEDRM
CCCCCCC[C@@H](CC)OCC[P@@](=O)([O-])O	ZINC001224602111	816831412	/nfs/dbraw/zinc/83/14/12/816831412.db2.gz	OFXIISPFSYGIJT-GFCCVEGCSA-N	-1	0	266.318	3.320	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225563509	817094848	/nfs/dbraw/zinc/09/48/48/817094848.db2.gz	VEPRLVOVDSNPEF-LBPRGKRZSA-N	-1	0	288.734	3.045	20	30		CGEDRM
CCC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)C	ZINC001226008165	817247139	/nfs/dbraw/zinc/24/71/39/817247139.db2.gz	FPNBRXSTFNBFPZ-LLVKDONJSA-N	-1	0	252.289	3.001	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1F	ZINC001226012888	817249254	/nfs/dbraw/zinc/24/92/54/817249254.db2.gz	HIYFVAGURQSKES-QMMMGPOBSA-N	-1	0	276.242	3.077	20	30		CGEDRM
CCCCC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013310	817249298	/nfs/dbraw/zinc/24/92/98/817249298.db2.gz	LKAVLVNZDPGUGS-SECBINFHSA-N	-1	0	252.289	3.146	20	30		CGEDRM
C[C@@H]1CC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1	ZINC001226065154	817262606	/nfs/dbraw/zinc/26/26/06/817262606.db2.gz	SHYZEDKKOXXBKK-SFYZADRCSA-N	-1	0	286.253	3.245	20	30		CGEDRM
N#C[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1F	ZINC001226116211	817276723	/nfs/dbraw/zinc/27/67/23/817276723.db2.gz	OTIFXIXRHHLLAE-BFERYNQYSA-N	-1	0	270.263	3.277	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226221286	817302499	/nfs/dbraw/zinc/30/24/99/817302499.db2.gz	KSIMYHODGNRTPZ-CQSZACIVSA-N	-1	0	268.316	3.497	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2cc(C)cc(C(=O)[O-])c2)c1	ZINC001243176668	823274221	/nfs/dbraw/zinc/27/42/21/823274221.db2.gz	BVJIMSAFRHTUDS-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C[C@H](Oc1ccc2cc(C#N)c(=O)oc2c1)C1=CC=C[CH]1	ZINC001227380872	817635960	/nfs/dbraw/zinc/63/59/60/817635960.db2.gz	ZIPJWNIBALUVOT-NSHDSACASA-N	-1	0	278.287	3.132	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=S)nnc1C)c1ccccc1	ZINC001227599313	817679043	/nfs/dbraw/zinc/67/90/43/817679043.db2.gz	YPTBPQVRDGXNJF-LBPRGKRZSA-N	-1	0	273.361	3.165	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ncc2c(c1C#N)CCC2	ZINC001243203298	823289483	/nfs/dbraw/zinc/28/94/83/823289483.db2.gz	OBAIRWYPRLUQGZ-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(C(=O)[O-])c(C)c2)nc1C#N	ZINC001243210954	823293731	/nfs/dbraw/zinc/29/37/31/823293731.db2.gz	DZWTTZKZCQVEMC-UHFFFAOYSA-N	-1	0	294.310	3.192	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228440214	817906809	/nfs/dbraw/zinc/90/68/09/817906809.db2.gz	FMEZPOQICNFTGP-LBPRGKRZSA-N	-1	0	290.392	3.075	20	30		CGEDRM
Cc1cc(=O)[n-]c(OC2CCC(C)(C)CC2)c1C#N	ZINC001233915278	818730782	/nfs/dbraw/zinc/73/07/82/818730782.db2.gz	GOZOVZOVIYRWLF-UHFFFAOYSA-N	-1	0	260.337	3.315	20	30		CGEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(=C)C	ZINC001234520047	818871676	/nfs/dbraw/zinc/87/16/76/818871676.db2.gz	NQPIGAHXULLZNT-HNNXBMFYSA-N	-1	0	295.342	3.497	20	30		CGEDRM
CC(C)CC[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529208	818874249	/nfs/dbraw/zinc/87/42/49/818874249.db2.gz	CTNRWXJAYWYCBO-NSHDSACASA-N	-1	0	285.347	3.411	20	30		CGEDRM
N#Cc1ccc2nc(=O)[n-]c(OC3CCCCCC3)c2c1	ZINC001234529741	818876207	/nfs/dbraw/zinc/87/62/07/818876207.db2.gz	DYYXKWDEKPBKHS-UHFFFAOYSA-N	-1	0	283.331	3.309	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235621432	819126715	/nfs/dbraw/zinc/12/67/15/819126715.db2.gz	APMCYPVLPGMVNT-RMKNXTFCSA-N	-1	0	263.296	3.218	20	30		CGEDRM
COc1cccc(-c2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001235995314	819264405	/nfs/dbraw/zinc/26/44/05/819264405.db2.gz	DCJWWGZQFZKFMY-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
N#Cc1cc2cc(-c3ccc(C(=O)[O-])cc3)ccc2[nH]1	ZINC001236061633	819294968	/nfs/dbraw/zinc/29/49/68/819294968.db2.gz	DIKBZZBLSBSOBL-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cc(F)cc(F)c1[O-]	ZINC001243499860	823420959	/nfs/dbraw/zinc/42/09/59/823420959.db2.gz	GRIVECVCESIVID-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#CCCN(Cc1ccc(F)cc1C(=O)[O-])C1CCCC1	ZINC001238234952	819965886	/nfs/dbraw/zinc/96/58/86/819965886.db2.gz	NWYKWPCTLADFSH-UHFFFAOYSA-N	-1	0	290.338	3.182	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2ccc(Cl)c([O-])c2)n1	ZINC001243576453	823451418	/nfs/dbraw/zinc/45/14/18/823451418.db2.gz	ORDHXIUYHVSTKP-UHFFFAOYSA-N	-1	0	291.763	3.405	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3ccc(C(=O)[O-])cc3F)c2c1	ZINC001239245356	820239693	/nfs/dbraw/zinc/23/96/93/820239693.db2.gz	LWYUJYBBKICHHM-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239261138	820244345	/nfs/dbraw/zinc/24/43/45/820244345.db2.gz	IJFXJTWTKFBULM-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1cc(-c2ccc(C3(C#N)CC3)cn2)ccc1C(=O)[O-]	ZINC001240741789	821293469	/nfs/dbraw/zinc/29/34/69/821293469.db2.gz	NMZHPQIMYDGBPA-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
COc1cc(-c2cc(CC#N)ccc2F)ccc1C(=O)[O-]	ZINC001240744778	821296475	/nfs/dbraw/zinc/29/64/75/821296475.db2.gz	NLOWGROPIJXJGF-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1ccc([O-])c(F)c1	ZINC001240783123	821323827	/nfs/dbraw/zinc/32/38/27/821323827.db2.gz	LHEXTQUTPUEBME-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ccc2nccc(-c3ccc(CC(=O)[O-])cc3)c2c1	ZINC001240973439	821457392	/nfs/dbraw/zinc/45/73/92/821457392.db2.gz	HRVXHDSONOMGBE-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cc(C(=O)[O-])ccc1C	ZINC001241001344	821479307	/nfs/dbraw/zinc/47/93/07/821479307.db2.gz	XWMZGSIOHQBTAO-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
N#Cc1c(F)cc(-c2c(F)cc([O-])cc2F)cc1F	ZINC001241120914	821577201	/nfs/dbraw/zinc/57/72/01/821577201.db2.gz	RUFSPXXYBNFSTG-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
COc1cc(-c2c(F)cc([O-])cc2F)cc(F)c1C#N	ZINC001241125450	821582049	/nfs/dbraw/zinc/58/20/49/821582049.db2.gz	XHKDUAMMOGBYRB-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])c(F)c2)nc1C	ZINC001241183820	821620627	/nfs/dbraw/zinc/62/06/27/821620627.db2.gz	YGUCOABYCQHMGO-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001241350602	821752836	/nfs/dbraw/zinc/75/28/36/821752836.db2.gz	PXMFUWAMFLZBCB-UHFFFAOYSA-N	-1	0	271.703	3.472	20	30		CGEDRM
CCOC(=O)c1ccc(C#N)c(-c2cccc(C(=O)[O-])c2)c1	ZINC001241359004	821759987	/nfs/dbraw/zinc/75/99/87/821759987.db2.gz	DOYJQWASKMFUQP-UHFFFAOYSA-N	-1	0	295.294	3.100	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2)c(CC#N)c1	ZINC001241358687	821759998	/nfs/dbraw/zinc/75/99/98/821759998.db2.gz	BYPFOODEZMCUSB-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1C#N	ZINC001241829365	822167618	/nfs/dbraw/zinc/16/76/18/822167618.db2.gz	ZPUPDNIYFVGFSL-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
COc1ccc(-c2ccc3[nH]cc(C#N)c3c2)cc1C(=O)[O-]	ZINC001241868574	822187065	/nfs/dbraw/zinc/18/70/65/822187065.db2.gz	HDBQLUUNBFFPEL-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#Cc1cnc(-c2cc(C(F)(F)F)ccc2[O-])c(C#N)c1	ZINC001242131792	822888971	/nfs/dbraw/zinc/88/89/71/822888971.db2.gz	POOFIIFWCAEYAT-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
CCOC(=O)c1ccc(C#N)c(-c2ccc(F)cc2[O-])c1	ZINC001242221242	822917043	/nfs/dbraw/zinc/91/70/43/822917043.db2.gz	UEKNPKPVZKBJGQ-UHFFFAOYSA-N	-1	0	285.274	3.247	20	30		CGEDRM
N#CC1(c2ccccc2-c2ccc(C(=O)[O-])nc2)CCC1	ZINC001242337733	822954606	/nfs/dbraw/zinc/95/46/06/822954606.db2.gz	GLRCZYFIGQRAAS-UHFFFAOYSA-N	-1	0	278.311	3.392	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cccc(C(=O)[O-])c2F)n1	ZINC001242378062	822974124	/nfs/dbraw/zinc/97/41/24/822974124.db2.gz	JRDRXYNQXDSJDP-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CCc1c(F)cccc1-c1cccc(C(=O)[O-])c1F	ZINC001242382575	822976099	/nfs/dbraw/zinc/97/60/99/822976099.db2.gz	YOHFYANNKNBRAR-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cc(Cl)cc(-c2ccccc2S(=O)(=O)[O-])c1	ZINC001242569165	823037947	/nfs/dbraw/zinc/03/79/47/823037947.db2.gz	KTKZWZJEFJCVDI-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
C=C[C@@H](C)OC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC001344771936	936543712	/nfs/dbraw/zinc/54/37/12/936543712.db2.gz	JTLYDJWCLDDBQI-MRVPVSSYSA-N	-1	0	298.364	3.221	20	30		CGEDRM
C=CCN(C(=O)c1cccc(F)c1[O-])c1ccccc1	ZINC001352312985	937040940	/nfs/dbraw/zinc/04/09/40/937040940.db2.gz	YZZQULHXPHSPOK-UHFFFAOYSA-N	-1	0	271.291	3.364	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cccc(F)n2)sc1C	ZINC001357579682	937174582	/nfs/dbraw/zinc/17/45/82/937174582.db2.gz	AZLXMRLYKMVYNK-JTQLQIEISA-N	-1	0	274.320	3.389	20	30		CGEDRM
Cc1cc(N[C@@H]2CCc3c2cccc3C#N)cnc1C(=O)[O-]	ZINC001171064103	928185570	/nfs/dbraw/zinc/18/55/70/928185570.db2.gz	ZTKYFNIIKIIGQQ-OAHLLOKOSA-N	-1	0	293.326	3.059	20	30		CGEDRM
Cc1cc(Cc2ccc(C#N)cc2)ccc1C(=O)[O-]	ZINC001250055035	928245169	/nfs/dbraw/zinc/24/51/69/928245169.db2.gz	WPFQVKMZMCQGKT-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
Cc1cccc2c1CC[C@H]2Oc1[n-]c(=O)ccc1C#N	ZINC001228899067	932048102	/nfs/dbraw/zinc/04/81/02/932048102.db2.gz	QOIZYTSGDOEREV-CQSZACIVSA-N	-1	0	266.300	3.034	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230240698	932546321	/nfs/dbraw/zinc/54/63/21/932546321.db2.gz	OAGFMIGCIFSVQO-SECBINFHSA-N	-1	0	271.748	3.134	20	30		CGEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230888361	932636644	/nfs/dbraw/zinc/63/66/44/932636644.db2.gz	LDZXLPJDPKJHLN-LLVKDONJSA-N	-1	0	256.305	3.153	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231051354	932666376	/nfs/dbraw/zinc/66/63/76/932666376.db2.gz	YHCPMHWHLVLEGS-CBAPKCEASA-N	-1	0	296.157	3.445	20	30		CGEDRM
COc1cc(O)ccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC001318469688	933732833	/nfs/dbraw/zinc/73/28/33/933732833.db2.gz	FAYCPBRMTYFXJW-ZZXKWVIFSA-N	-1	0	288.274	3.142	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cccc(F)c1[O-]	ZINC001336218947	936181740	/nfs/dbraw/zinc/18/17/40/936181740.db2.gz	TXIJUHOZAFQARV-LLVKDONJSA-N	-1	0	263.312	3.102	20	30		CGEDRM
C=C(CC)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC001528418948	938067391	/nfs/dbraw/zinc/06/73/91/938067391.db2.gz	VZUPBTOSRXUNSV-UHFFFAOYSA-N	-1	0	274.147	3.281	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1cccc(F)c1[O-]	ZINC001529887583	938075183	/nfs/dbraw/zinc/07/51/83/938075183.db2.gz	FEEFWYOYMVPXAB-UHFFFAOYSA-N	-1	0	251.301	3.006	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NC2(CC(=O)[O-])CCC2)c1	ZINC001602712253	971354292	/nfs/dbraw/zinc/35/42/92/971354292.db2.gz	LLSNTLFIDSVPMX-UHFFFAOYSA-N	-1	0	288.347	3.239	20	30		CGEDRM
C=C[C@@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1	ZINC001602717658	971370334	/nfs/dbraw/zinc/37/03/34/971370334.db2.gz	XGPQNGMWPAZXNO-XVJNWHFHSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=CCC1(C(=O)Nc2cccc(C(=O)[O-])c2)CCCC1	ZINC001602718761	971377255	/nfs/dbraw/zinc/37/72/55/971377255.db2.gz	VNNLIPOMLRPCCN-UHFFFAOYSA-N	-1	0	273.332	3.460	20	30		CGEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])ccc1Br	ZINC000236462196	949911513	/nfs/dbraw/zinc/91/15/13/949911513.db2.gz	DSGWPMAAPVHKCQ-UHFFFAOYSA-N	-1	0	298.136	3.052	20	30		CGEDRM
N#Cc1cc(CNc2cccc(CCC(=O)[O-])c2)ccc1F	ZINC001594616080	956237531	/nfs/dbraw/zinc/23/75/31/956237531.db2.gz	HICXQMJDRPPLKF-UHFFFAOYSA-N	-1	0	298.317	3.327	20	30		CGEDRM
N#Cc1cccc(Oc2ccc(C(=O)[O-])cc2Cl)n1	ZINC000081598540	957780784	/nfs/dbraw/zinc/78/07/84/957780784.db2.gz	KCHFEHRGAKAFPE-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
Cc1cc(CNc2cccc(CC(=O)[O-])c2)ccc1C#N	ZINC001594304291	957949339	/nfs/dbraw/zinc/94/93/39/957949339.db2.gz	WJVHIIBRYHQWBP-UHFFFAOYSA-N	-1	0	280.327	3.106	20	30		CGEDRM
C=CCC1(NC(=O)CC2(CC(=O)[O-])CCCC2)CCCC1	ZINC001588767378	960489191	/nfs/dbraw/zinc/48/91/91/960489191.db2.gz	YICCLKBAAKETTP-UHFFFAOYSA-N	-1	0	293.407	3.417	20	30		CGEDRM
C=C[C@H](Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-]	ZINC001602820271	960549625	/nfs/dbraw/zinc/54/96/25/960549625.db2.gz	GBQXCCKTGHRIAM-JTQLQIEISA-N	-1	0	276.361	3.471	20	30		CGEDRM
C=C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC001602828185	960551749	/nfs/dbraw/zinc/55/17/49/960551749.db2.gz	YIIDBGBUIBOIGL-JTQLQIEISA-N	-1	0	287.262	3.308	20	30		CGEDRM
C=CCC1(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CCCCC1	ZINC001573328983	962249357	/nfs/dbraw/zinc/24/93/57/962249357.db2.gz	UDDQWEPEBYZUML-ZIAGYGMSSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C#CCC1(NC(=O)c2ccc(C(=O)[O-])c(C)c2)CCCCC1	ZINC001573464012	962254442	/nfs/dbraw/zinc/25/44/42/962254442.db2.gz	XCERFCBVOAAKOM-UHFFFAOYSA-N	-1	0	299.370	3.149	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cccc(CCC(=O)[O-])c1	ZINC001574488264	962313028	/nfs/dbraw/zinc/31/30/28/962313028.db2.gz	PBNUSGKANKPPFD-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@](C)(CCC)c1ccccc1	ZINC001573331977	962820819	/nfs/dbraw/zinc/82/08/19/962820819.db2.gz	GGBYFFCBOQANOU-QGZVFWFLSA-N	-1	0	289.375	3.239	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001573347987	962954077	/nfs/dbraw/zinc/95/40/77/962954077.db2.gz	RHZLZDSTELUIFA-OAHLLOKOSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC001573348173	962955288	/nfs/dbraw/zinc/95/52/88/962955288.db2.gz	SYWVAQQRLBADHS-XJKSGUPXSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001573348699	962960602	/nfs/dbraw/zinc/96/06/02/962960602.db2.gz	ZPSQOEARPMLUCH-QGZVFWFLSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1cc(F)cc(F)c1[O-]	ZINC001585520717	963021030	/nfs/dbraw/zinc/02/10/30/963021030.db2.gz	VNJXZJVCBDAWFC-UHFFFAOYSA-N	-1	0	269.291	3.145	20	30		CGEDRM
C=CCCC1(CNc2nccc(C(=O)[O-])n2)CCCC1	ZINC001573358450	963027649	/nfs/dbraw/zinc/02/76/49/963027649.db2.gz	ZKFPICKKXSPRRM-UHFFFAOYSA-N	-1	0	275.352	3.113	20	30		CGEDRM
C=CCCCCCOc1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001573366382	963060392	/nfs/dbraw/zinc/06/03/92/963060392.db2.gz	LWHTXOLOJIMIKQ-UHFFFAOYSA-N	-1	0	279.292	3.418	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001588450624	963268201	/nfs/dbraw/zinc/26/82/01/963268201.db2.gz	WBAXICWRJXSWJX-UHFFFAOYSA-N	-1	0	285.702	3.328	20	30		CGEDRM
C#CCCCCCCOc1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001588442039	963270865	/nfs/dbraw/zinc/27/08/65/963270865.db2.gz	MYQIBQSHIRNQHU-UHFFFAOYSA-N	-1	0	291.303	3.256	20	30		CGEDRM
C#CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1	ZINC001588428601	963271822	/nfs/dbraw/zinc/27/18/22/963271822.db2.gz	UNFFZJJGTKNSGF-UHFFFAOYSA-N	-1	0	285.343	3.297	20	30		CGEDRM
CC(=O)c1cccc(C#N)c1OCc1ccc(C(=O)[O-])cc1	ZINC001588534108	963278793	/nfs/dbraw/zinc/27/87/93/963278793.db2.gz	JFYHCMNZSXGUCX-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001588535301	963287576	/nfs/dbraw/zinc/28/75/76/963287576.db2.gz	HIXPLJLMLMTHSM-LBPRGKRZSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC001588672888	963296842	/nfs/dbraw/zinc/29/68/42/963296842.db2.gz	CWGQXQSHMSAHQF-UHFFFAOYSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=C[C@H](Nc1ccc(OCC(C)C)c(Cl)c1)C(=O)[O-]	ZINC001588702240	963303112	/nfs/dbraw/zinc/30/31/12/963303112.db2.gz	OARWRSVNSDTKJP-LBPRGKRZSA-N	-1	0	283.755	3.426	20	30		CGEDRM
C=C[C@H](OC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1	ZINC001588713362	963303676	/nfs/dbraw/zinc/30/36/76/963303676.db2.gz	VPPAQIVUEHRQKP-FPAJZGIOSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=C[C@H](Nc1cc(Cc2ccccn2)ccc1C)C(=O)[O-]	ZINC001588702196	963305404	/nfs/dbraw/zinc/30/54/04/963305404.db2.gz	LYUGRCGINCUIMT-HNNXBMFYSA-N	-1	0	282.343	3.032	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC001588692953	963306523	/nfs/dbraw/zinc/30/65/23/963306523.db2.gz	NPGFNODLWRUGQQ-SECBINFHSA-N	-1	0	293.388	3.476	20	30		CGEDRM
C=CC[C@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1	ZINC001588756385	963308303	/nfs/dbraw/zinc/30/83/03/963308303.db2.gz	KLQBODGJWFJMJZ-AWEZNQCLSA-N	-1	0	285.299	3.187	20	30		CGEDRM
C=CCC1(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC001588763714	963309720	/nfs/dbraw/zinc/30/97/20/963309720.db2.gz	XGFWJWHRQCUJPD-CQSZACIVSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=CC[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001588757300	963312177	/nfs/dbraw/zinc/31/21/77/963312177.db2.gz	XMLKWORKEWDNIL-ILXRZTDVSA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=CCCC[C@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC001588784686	963313546	/nfs/dbraw/zinc/31/35/46/963313546.db2.gz	ACBIDMKYHBKINU-GZQZNAIASA-N	-1	0	298.342	3.169	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1OC(=O)c1cncc(C(=O)[O-])c1	ZINC001588771087	963313985	/nfs/dbraw/zinc/31/39/85/963313985.db2.gz	NQAVICLVZASTSR-SMDDNHRTSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCC[C@@H](C(=O)OC/C=C(\C)C(=O)[O-])c1ccccc1	ZINC001588776807	963314493	/nfs/dbraw/zinc/31/44/93/963314493.db2.gz	HGBXPMIEOPBZHZ-HFBDAHEESA-N	-1	0	288.343	3.311	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588771710	963314706	/nfs/dbraw/zinc/31/47/06/963314706.db2.gz	YEZFGWXGGYEYBK-SWLSCSKDSA-N	-1	0	287.359	3.250	20	30		CGEDRM
C=CCCCC(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001588782311	963316094	/nfs/dbraw/zinc/31/60/94/963316094.db2.gz	CAOSIXOWYGZIGS-UHFFFAOYSA-N	-1	0	267.350	3.358	20	30		CGEDRM
C=CCN(Cc1ncc(C(=O)[O-])s1)Cc1ccccc1	ZINC001588832801	963319350	/nfs/dbraw/zinc/31/93/50/963319350.db2.gz	QWTLMUJNCTXSKN-UHFFFAOYSA-N	-1	0	288.372	3.030	20	30		CGEDRM
C=CCCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588802659	963319969	/nfs/dbraw/zinc/31/99/69/963319969.db2.gz	SCZIFNGEJPPOOY-CLFYSBASSA-N	-1	0	290.319	3.461	20	30		CGEDRM
C/C(=C/C(=O)[O-])CSc1c(Cl)cccc1C#N	ZINC001588952192	963330050	/nfs/dbraw/zinc/33/00/50/963330050.db2.gz	MWHSRXPPXMHVOD-YVMONPNESA-N	-1	0	267.737	3.335	20	30		CGEDRM
C=CCCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000312815053	963594903	/nfs/dbraw/zinc/59/49/03/963594903.db2.gz	RYLUCNLGVSUKDR-UONOGXRCSA-N	-1	0	281.396	3.130	20	30		CGEDRM
CC[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)[O-]	ZINC001610185014	970696433	/nfs/dbraw/zinc/69/64/33/970696433.db2.gz	YDWFIVJABRUBTB-LBPRGKRZSA-N	-1	0	299.779	3.339	20	30		CGEDRM
N#Cc1c(Cl)cccc1NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000405343368	973837259	/nfs/dbraw/zinc/83/72/59/973837259.db2.gz	JMPIOSPBTLCPKL-SNVBAGLBSA-N	-1	0	278.739	3.124	20	30		CGEDRM
CCC1(CNc2ccc(C(=O)[O-])nc2C#N)CCCCC1	ZINC001595379661	980918600	/nfs/dbraw/zinc/91/86/00/980918600.db2.gz	NODCAEWCLMIPKB-UHFFFAOYSA-N	-1	0	287.363	3.424	20	30		CGEDRM
CCCCCCCCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001595704450	982275279	/nfs/dbraw/zinc/27/52/79/982275279.db2.gz	NNBXSVVVADMFPJ-PKNBQFBNSA-N	-1	0	293.363	3.468	20	30		CGEDRM
CCNc1ccc(C#N)cc1NCc1cc(C(=O)[O-])c(C)o1	ZINC001596501337	984254792	/nfs/dbraw/zinc/25/47/92/984254792.db2.gz	PIIKJDQIOBYAAI-UHFFFAOYSA-N	-1	0	299.330	3.202	20	30		CGEDRM
CCOc1cccc(/C=N/[C@@H](CC(C)(C)C)C(=O)[O-])c1O	ZINC001597149934	986923026	/nfs/dbraw/zinc/92/30/26/986923026.db2.gz	MWVBZIRMPYGCKT-VAKHEIKFSA-N	-1	0	293.363	3.099	20	30		CGEDRM
CCOc1ccccc1NCc1cccc(C(=O)[O-])c1C#N	ZINC001597179947	987040899	/nfs/dbraw/zinc/04/08/99/987040899.db2.gz	OCDHMFKAVXAVLU-UHFFFAOYSA-N	-1	0	296.326	3.267	20	30		CGEDRM
CC(C)[C@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001591088788	991624894	/nfs/dbraw/zinc/62/48/94/991624894.db2.gz	LTPBBCJZRCGQTI-NWDGAFQWSA-N	-1	0	287.363	3.278	20	30		CGEDRM
CC(C)CCN(CCC#N)[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001591245321	992135129	/nfs/dbraw/zinc/13/51/29/992135129.db2.gz	MYMMQMWUYNVXPY-LLVKDONJSA-N	-1	0	295.408	3.164	20	30		CGEDRM
C[C@H](Sc1ccc(C#N)cc1)c1nc(C(=O)[O-])co1	ZINC001593664423	996051779	/nfs/dbraw/zinc/05/17/79/996051779.db2.gz	SASBEOGZBJFHQD-QMMMGPOBSA-N	-1	0	274.301	3.098	20	30		CGEDRM
C[C@]1(CN=Nc2ccc(F)c(C(=O)[O-])c2)CCCS1	ZINC001593996418	997306277	/nfs/dbraw/zinc/30/62/77/997306277.db2.gz	UWQIIUBUXLADCZ-CYBMUJFWSA-N	-1	0	282.340	3.207	20	30		CGEDRM
COCC[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1F	ZINC001599220453	997657568	/nfs/dbraw/zinc/65/75/68/997657568.db2.gz	HJSIPJYZCSNWDH-JTQLQIEISA-N	-1	0	294.326	3.128	20	30		CGEDRM
COCC#CCSc1cc2ccccc2cc1C(=O)[O-]	ZINC001599140850	998126244	/nfs/dbraw/zinc/12/62/44/998126244.db2.gz	GACIJCCBKNHJEI-UHFFFAOYSA-N	-1	0	286.352	3.280	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1ccc2ccccc2n1	ZINC000590880763	346882887	/nfs/dbraw/zinc/88/28/87/346882887.db2.gz	WDECZOCILCWKHG-LLVKDONJSA-N	-1	0	279.324	3.181	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-]	ZINC000032189501	344930400	/nfs/dbraw/zinc/93/04/00/344930400.db2.gz	IKXNPABBUOFKCC-YFHOEESVSA-N	-1	0	269.256	3.197	20	30		CGEDRM
CC(C)CCc1n[n-]c(=NCc2cccc(C#N)c2)s1	ZINC000594742001	347215556	/nfs/dbraw/zinc/21/55/56/347215556.db2.gz	IIOPJJMGVTVIFG-UHFFFAOYSA-N	-1	0	286.404	3.032	20	30		CGEDRM
CC(C)CN=c1[n-]nc(SCC(C)(C)CC#N)s1	ZINC000594882512	347218367	/nfs/dbraw/zinc/21/83/67/347218367.db2.gz	UROAOHFYCYXUEM-UHFFFAOYSA-N	-1	0	284.454	3.060	20	30		CGEDRM
N#Cc1c(Cl)cccc1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000595978504	347373476	/nfs/dbraw/zinc/37/34/76/347373476.db2.gz	WOYSXPVTZKUFBX-LLVKDONJSA-N	-1	0	278.739	3.124	20	30		CGEDRM
C=CCCSc1n[n-]c(=Nc2ccccc2)s1	ZINC000606756115	348197825	/nfs/dbraw/zinc/19/78/25/348197825.db2.gz	RUGUUETUCNPDSP-UHFFFAOYSA-N	-1	0	263.391	3.372	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCC(C3CCCC3)CC2)cc1O	ZINC000615481498	348745073	/nfs/dbraw/zinc/74/50/73/348745073.db2.gz	SKKOBNPDWYEKRP-UHFFFAOYSA-N	-1	0	298.386	3.306	20	30		CGEDRM
CN=c1[n-]nc(S[C@H](C#N)c2ccc(Cl)cc2)s1	ZINC000619863933	349287428	/nfs/dbraw/zinc/28/74/28/349287428.db2.gz	WZPQVEBQNYEMQH-SECBINFHSA-N	-1	0	296.808	3.012	20	30		CGEDRM
N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc(C2CC2)cs1	ZINC000626466766	350310114	/nfs/dbraw/zinc/31/01/14/350310114.db2.gz	PHAZHLQHRPTSHU-GFCCVEGCSA-N	-1	0	298.371	3.042	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000630319786	350823336	/nfs/dbraw/zinc/82/33/36/350823336.db2.gz	HWICSGQUTWKJLQ-DZGCQCFKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCC1(CNC(=O)C(C)(C)CCC(=O)[O-])CCCC1	ZINC000634840553	351594929	/nfs/dbraw/zinc/59/49/29/351594929.db2.gz	OTNOGAYCERUCSA-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCC1(CNC(=O)[C@@](C)(CC)CC(=O)[O-])CCCC1	ZINC000634840636	351594935	/nfs/dbraw/zinc/59/49/35/351594935.db2.gz	QNHYZABXFHLOOD-HNNXBMFYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634931398	351606006	/nfs/dbraw/zinc/60/60/06/351606006.db2.gz	BRUZBUKAKVGIEP-JKIFEVAISA-N	-1	0	293.407	3.223	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634947123	351607739	/nfs/dbraw/zinc/60/77/39/351607739.db2.gz	ICCGRBDFGRHFMK-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000156079803	188241277	/nfs/dbraw/zinc/24/12/77/188241277.db2.gz	KSWRDGZQBPZWNA-UHFFFAOYSA-N	-1	0	292.335	3.119	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccc(O)c2)c([O-])c1	ZINC000004280616	368541239	/nfs/dbraw/zinc/54/12/39/368541239.db2.gz	REZLOMBHXVOHSX-VMPITWQZSA-N	-1	0	270.284	3.003	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)co1	ZINC000122862010	370907368	/nfs/dbraw/zinc/90/73/68/370907368.db2.gz	AGBPBKPAMFBNNW-VIFPVBQESA-N	-1	0	297.339	3.337	20	30		CGEDRM
CCOc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041520031	369189759	/nfs/dbraw/zinc/18/97/59/369189759.db2.gz	LDQKINYAJGCQQK-LBPRGKRZSA-N	-1	0	286.356	3.340	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000436853208	372843225	/nfs/dbraw/zinc/84/32/25/372843225.db2.gz	JTFCBFOLZZJJLC-SNVBAGLBSA-N	-1	0	283.730	3.365	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1	ZINC000439899091	372983295	/nfs/dbraw/zinc/98/32/95/372983295.db2.gz	HCJXKRHQMCVXKK-JSGCOSHPSA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)co1	ZINC000444460628	373192727	/nfs/dbraw/zinc/19/27/27/373192727.db2.gz	LDLSZVWFCAGDIB-LLVKDONJSA-N	-1	0	294.232	3.492	20	30		CGEDRM
O=C(N=c1cn[n-]s1)N[C@H]1CCCCC12CCCC2	ZINC000329603021	374413510	/nfs/dbraw/zinc/41/35/10/374413510.db2.gz	GDHLLZFNYHONMG-JTQLQIEISA-N	-1	0	280.397	3.367	20	30		CGEDRM
Cc1cccc(O)c1NC(=O)[C@H](C)c1cccc(C#N)c1	ZINC000335436980	375292019	/nfs/dbraw/zinc/29/20/19/375292019.db2.gz	XLMOCOQPTSQDQF-GFCCVEGCSA-N	-1	0	280.327	3.315	20	30		CGEDRM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccsc1	ZINC000335452072	375304800	/nfs/dbraw/zinc/30/48/00/375304800.db2.gz	JXUZWPABDKIKFN-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#CC1(CSc2n[n-]c(=NC3CCCCC3)s2)CC1	ZINC000536585133	376100730	/nfs/dbraw/zinc/10/07/30/376100730.db2.gz	AOAVDWLEEMNLLG-UHFFFAOYSA-N	-1	0	294.449	3.100	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N=c1[n-]nc(CCCC)s1	ZINC000538340580	376235837	/nfs/dbraw/zinc/23/58/37/376235837.db2.gz	HODDJNWNQMTMEN-NSHDSACASA-N	-1	0	296.440	3.169	20	30		CGEDRM
N#CC(=C([O-])c1cccnc1)c1nc2ccccc2s1	ZINC000338186385	376276184	/nfs/dbraw/zinc/27/61/84/376276184.db2.gz	PYHYFPZPPDCACN-LLVKDONJSA-N	-1	0	279.324	3.181	20	30		CGEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C	ZINC000230333709	376505241	/nfs/dbraw/zinc/50/52/41/376505241.db2.gz	WYMYPOXBMDHRMR-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)o1	ZINC000340786576	377262670	/nfs/dbraw/zinc/26/26/70/377262670.db2.gz	PXRHIOWUARXEMX-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1C	ZINC000194958650	542277821	/nfs/dbraw/zinc/27/78/21/542277821.db2.gz	XSBBEZMYMNOMAQ-GFCCVEGCSA-N	-1	0	287.388	3.404	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C(C)C)cn2)n1	ZINC000355130318	380588955	/nfs/dbraw/zinc/58/89/55/380588955.db2.gz	HIOBUQMGEFPYDY-LBPRGKRZSA-N	-1	0	285.372	3.460	20	30		CGEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[n-]c1C#N	ZINC000329230509	227367519	/nfs/dbraw/zinc/36/75/19/227367519.db2.gz	DNRTYHONKAFZJB-IJLUTSLNSA-N	-1	0	297.362	3.348	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1nc(C2CC2)cs1	ZINC000647373937	392709961	/nfs/dbraw/zinc/70/99/61/392709961.db2.gz	SHTKBIPNCUQGCO-JTQLQIEISA-N	-1	0	258.302	3.104	20	30		CGEDRM
C=CC[C@H](Cc1ccccc1)N=c1[n-]nc(C(C)C)o1	ZINC000413581696	393027205	/nfs/dbraw/zinc/02/72/05/393027205.db2.gz	QXUNNGDVWIDQAQ-CQSZACIVSA-N	-1	0	271.364	3.214	20	30		CGEDRM
N#CC(=C([O-])c1cncc(F)c1)c1nc2ccccc2s1	ZINC000346190718	393078953	/nfs/dbraw/zinc/07/89/53/393078953.db2.gz	VUYUCNDMGDRAMD-LLVKDONJSA-N	-1	0	297.314	3.320	20	30		CGEDRM
C=CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c1	ZINC000426782548	393452377	/nfs/dbraw/zinc/45/23/77/393452377.db2.gz	GQGSXHGEELHEGZ-QGZVFWFLSA-N	-1	0	297.354	3.167	20	30		CGEDRM
C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000339068127	287040369	/nfs/dbraw/zinc/04/03/69/287040369.db2.gz	ONTPTBCPHXHCQM-LLVKDONJSA-N	-1	0	297.314	3.023	20	30		CGEDRM
C=CCCCCCNC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000659410779	418984060	/nfs/dbraw/zinc/98/40/60/418984060.db2.gz	HMGVAJYFIDYWDN-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1	ZINC000049513610	260662152	/nfs/dbraw/zinc/66/21/52/260662152.db2.gz	IGGPLBCQEGEXGB-UHFFFAOYSA-N	-1	0	295.404	3.216	20	30		CGEDRM
CC(C)CCN(CCC#N)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000186781098	262110043	/nfs/dbraw/zinc/11/00/43/262110043.db2.gz	QLSAOZNWUYERSQ-UHFFFAOYSA-N	-1	0	296.317	3.072	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000364066796	262133528	/nfs/dbraw/zinc/13/35/28/262133528.db2.gz	NZPPLTUFZBWKTB-SECBINFHSA-N	-1	0	293.417	3.229	20	30		CGEDRM
CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000338583296	262546668	/nfs/dbraw/zinc/54/66/68/262546668.db2.gz	UZSUWOHLDNCOIT-SNVBAGLBSA-N	-1	0	295.298	3.258	20	30		CGEDRM
C=C(CC)CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000414102266	262804846	/nfs/dbraw/zinc/80/48/46/262804846.db2.gz	XGMKQAQKHYGIGF-INIZCTEOSA-N	-1	0	281.396	3.130	20	30		CGEDRM
CC(=O)c1ccc([O-])c(NC(=O)[C@]2(C#N)CC23CCCC3)c1	ZINC000295099457	263172393	/nfs/dbraw/zinc/17/23/93/263172393.db2.gz	TWXZMFHSCXPVNK-QGZVFWFLSA-N	-1	0	298.342	3.007	20	30		CGEDRM
C[C@@H]1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000331221075	264166826	/nfs/dbraw/zinc/16/68/26/264166826.db2.gz	ANPMKFRYZKMIGL-NXEZZACHSA-N	-1	0	278.308	3.041	20	30		CGEDRM
C[C@H](O)C[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000331236679	264175368	/nfs/dbraw/zinc/17/53/68/264175368.db2.gz	MJUCENBEVLQUQF-BQBZGAKWSA-N	-1	0	292.162	3.163	20	30		CGEDRM
CC(C)c1n[n-]c(=N[C@@H]2CCCc3cc(C#N)ccc32)s1	ZINC000419022458	280658130	/nfs/dbraw/zinc/65/81/30/280658130.db2.gz	ZYXGZMURNVLCQC-CQSZACIVSA-N	-1	0	298.415	3.445	20	30		CGEDRM
CC(=O)c1cccc(NC(=O)C2(C#N)CCCCC2)c1O	ZINC000560549273	327322876	/nfs/dbraw/zinc/32/28/76/327322876.db2.gz	BZHOSKDDOHOPPI-UHFFFAOYSA-N	-1	0	286.331	3.007	20	30		CGEDRM
C=CCC[C@@H](NC(=O)[C@H](CCC)c1ccccc1)C(=O)[O-]	ZINC000262953581	330037523	/nfs/dbraw/zinc/03/75/23/330037523.db2.gz	QWTBRNOSPZZKMC-HUUCEWRRSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCCC[C@H](C)Sc1n[n-]c(=NCC=C)s1	ZINC000462383200	331321097	/nfs/dbraw/zinc/32/10/97/331321097.db2.gz	HVXBMUMXIAYMMC-JTQLQIEISA-N	-1	0	269.439	3.395	20	30		CGEDRM
Cc1ncccc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000492259521	332389591	/nfs/dbraw/zinc/38/95/91/332389591.db2.gz	POVWDUMJFDXAGQ-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#CCCOc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000521629739	333180371	/nfs/dbraw/zinc/18/03/71/333180371.db2.gz	QHARYTIDLXIHPV-UHFFFAOYSA-N	-1	0	267.284	3.344	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N=c1[n-]nc(CCCC)s1	ZINC000538340579	333586214	/nfs/dbraw/zinc/58/62/14/333586214.db2.gz	HODDJNWNQMTMEN-LLVKDONJSA-N	-1	0	296.440	3.169	20	30		CGEDRM
C=CC[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738487655	571800302	/nfs/dbraw/zinc/80/03/02/571800302.db2.gz	APSJXYYSEJHMPA-QMMMGPOBSA-N	-1	0	282.727	3.124	20	30		CGEDRM
C=CCCCOC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738494229	571804992	/nfs/dbraw/zinc/80/49/92/571804992.db2.gz	XTBHRGXMMKYNQS-LBPRGKRZSA-N	-1	0	297.738	3.158	20	30		CGEDRM
Cc1cccc2c1CCC2=NNc1cccc(C(=O)[O-])c1	ZINC000729140504	571877842	/nfs/dbraw/zinc/87/78/42/571877842.db2.gz	GDRHWDHQEDAAMC-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730148875	571951763	/nfs/dbraw/zinc/95/17/63/571951763.db2.gz	OBAMKAFUCFCHGQ-QPJJXVBHSA-N	-1	0	288.324	3.351	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000737527638	572348158	/nfs/dbraw/zinc/34/81/58/572348158.db2.gz	MCRKAYBUDXZEJM-UHFFFAOYSA-N	-1	0	292.379	3.148	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1	ZINC000739092864	572402168	/nfs/dbraw/zinc/40/21/68/572402168.db2.gz	WFJNIBWRYSWXGF-UHFFFAOYSA-N	-1	0	295.298	3.095	20	30		CGEDRM
Cn1cc(C(=O)/C=C/c2ccoc2C(=O)[O-])c2ccccc21	ZINC000739025767	572404172	/nfs/dbraw/zinc/40/41/72/572404172.db2.gz	KLPRDTAUZPMCQK-VOTSOKGWSA-N	-1	0	295.294	3.366	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1	ZINC000739330747	572410700	/nfs/dbraw/zinc/41/07/00/572410700.db2.gz	NZUNUJYNTDGFAV-KBPBESRZSA-N	-1	0	298.427	3.242	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCc3ccccc32)c1	ZINC000731938544	572439296	/nfs/dbraw/zinc/43/92/96/572439296.db2.gz	UJTYKPZWEOPIOJ-NCUBORBFSA-N	-1	0	296.326	3.449	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000740310457	572439724	/nfs/dbraw/zinc/43/97/24/572439724.db2.gz	GGXKWWNTZKFDAW-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
C=CC[C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000736097212	572768165	/nfs/dbraw/zinc/76/81/65/572768165.db2.gz	XYVFHYMLCCOBQG-ZETCQYMHSA-N	-1	0	291.376	3.383	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(C(=O)[O-])s1	ZINC000736097297	572769166	/nfs/dbraw/zinc/76/91/66/572769166.db2.gz	DPXNVJOVFNUTII-UHFFFAOYSA-N	-1	0	281.377	3.265	20	30		CGEDRM
C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccs1	ZINC000736662926	572802998	/nfs/dbraw/zinc/80/29/98/572802998.db2.gz	VBDVVPOWSDGZGL-HZMBPMFUSA-N	-1	0	286.356	3.096	20	30		CGEDRM
CCCC[C@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-]	ZINC000736982162	572831703	/nfs/dbraw/zinc/83/17/03/572831703.db2.gz	MQGVXJQKIYEUDE-ZDUSSCGKSA-N	-1	0	290.363	3.401	20	30		CGEDRM
CCCCCCCCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000736984338	572832709	/nfs/dbraw/zinc/83/27/09/572832709.db2.gz	XDZBWANUJCKPRG-UHFFFAOYSA-N	-1	0	298.427	3.243	20	30		CGEDRM
CC(=NOCc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749612294	573024478	/nfs/dbraw/zinc/02/44/78/573024478.db2.gz	NJRGOZGZKYNENA-UHFFFAOYSA-N	-1	0	286.287	3.241	20	30		CGEDRM
[O-]c1c(F)cc(C=NNCc2cc(F)ccc2F)cc1F	ZINC000749859051	573049107	/nfs/dbraw/zinc/04/91/07/573049107.db2.gz	PNWLBYDEKPMFAM-UHFFFAOYSA-N	-1	0	298.239	3.072	20	30		CGEDRM
C[C@@H]1CC(N=NC2CCC(F)(F)CC2)CC[C@H]1C(=O)[O-]	ZINC000901341039	620857268	/nfs/dbraw/zinc/85/72/68/620857268.db2.gz	TXVVNALZKAWWTP-BXKDBHETSA-N	-1	0	288.338	3.031	20	30		CGEDRM
O=C([O-])C1CCC(N=Nc2nccc3sccc32)CC1	ZINC000814808486	598097331	/nfs/dbraw/zinc/09/73/31/598097331.db2.gz	AROOKMZQAOBLKK-UHFFFAOYSA-N	-1	0	289.360	3.339	20	30		CGEDRM
Cc1cc(F)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000738397569	599969204	/nfs/dbraw/zinc/96/92/04/599969204.db2.gz	SOQPTZRQEOKJDU-ZZXKWVIFSA-N	-1	0	274.247	3.321	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000136020196	600277809	/nfs/dbraw/zinc/27/78/09/600277809.db2.gz	FDTGRGOITLLWDD-UHFFFAOYSA-N	-1	0	290.363	3.134	20	30		CGEDRM
C=CCCOc1ccc(Br)cc1C(=O)[O-]	ZINC000165359426	600709467	/nfs/dbraw/zinc/70/94/67/600709467.db2.gz	NXXFZPADILUYSK-UHFFFAOYSA-N	-1	0	271.110	3.102	20	30		CGEDRM
Cc1ccc(N=Cc2ccccc2O)cc1C(=O)[O-]	ZINC000832938880	601177543	/nfs/dbraw/zinc/17/75/43/601177543.db2.gz	NFEVCPSCTZRHEF-UHFFFAOYSA-N	-1	0	255.273	3.149	20	30		CGEDRM
Cc1ccc(NCc2ccc(C#N)cc2F)cc1C(=O)[O-]	ZINC000832951069	601301966	/nfs/dbraw/zinc/30/19/66/601301966.db2.gz	BLJTZUKVTGEENF-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCCc3ccccc3C2=O)[nH]1	ZINC000833311899	601330423	/nfs/dbraw/zinc/33/04/23/601330423.db2.gz	FHPXODQAFKJQCR-BENRWUELSA-N	-1	0	281.311	3.316	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CSc1ccc(C#N)cn1	ZINC000830394177	601388385	/nfs/dbraw/zinc/38/83/85/601388385.db2.gz	AIWGIBSMIKLLJR-UHFFFAOYSA-N	-1	0	288.328	3.099	20	30		CGEDRM
C[C@H](SCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000827902591	601577122	/nfs/dbraw/zinc/57/71/22/601577122.db2.gz	NNVPNVZZMRVMFW-VIFPVBQESA-N	-1	0	288.290	3.263	20	30		CGEDRM
Cc1cc(C#N)ccc1OCc1ccc(C(=O)[O-])c(F)c1	ZINC000832858302	601634234	/nfs/dbraw/zinc/63/42/34/601634234.db2.gz	BEURBFSTKMKLGX-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
CC1(C)c2ccccc2C(=O)/C1=C/c1c[nH]c(C(=O)[O-])c1	ZINC000828042151	601792864	/nfs/dbraw/zinc/79/28/64/601792864.db2.gz	QRTQASXOYRORKT-QPEQYQDCSA-N	-1	0	281.311	3.270	20	30		CGEDRM
N#Cc1cc(F)ccc1NCc1cccc(C(=O)[O-])c1	ZINC000111025880	601931745	/nfs/dbraw/zinc/93/17/45/601931745.db2.gz	LUDJKMIUHITCLN-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#Cc1cc(CNc2cccc(C(=O)[O-])c2)ccc1F	ZINC000236464158	602099768	/nfs/dbraw/zinc/09/97/68/602099768.db2.gz	KLSKRTVEETWXMJ-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
C=C(C)CNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000825642176	602113428	/nfs/dbraw/zinc/11/34/28/602113428.db2.gz	JNEAEHLNVDUWGB-UHFFFAOYSA-N	-1	0	271.316	3.291	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000825664805	602294342	/nfs/dbraw/zinc/29/43/42/602294342.db2.gz	LZSNHAZJLPXYAL-UHFFFAOYSA-N	-1	0	277.295	3.231	20	30		CGEDRM
C#CCCc1cc(=O)n([C@H](Cc2ccccc2)C(C)C)[n-]1	ZINC000899356393	620655930	/nfs/dbraw/zinc/65/59/30/620655930.db2.gz	XYCNRXRGQGDMQR-QGZVFWFLSA-N	-1	0	282.387	3.255	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)c([O-])c1	ZINC000899364149	620661781	/nfs/dbraw/zinc/66/17/81/620661781.db2.gz	YWWNSQOJVZOYGR-VURMDHGXSA-N	-1	0	282.343	3.208	20	30		CGEDRM
Cc1ccc(C)c(N=NCC2CCN(C(=O)[O-])CC2)c1	ZINC000830275579	603858197	/nfs/dbraw/zinc/85/81/97/603858197.db2.gz	UTVOIKOXZFVTHX-UHFFFAOYSA-N	-1	0	275.352	3.091	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000823495963	603880909	/nfs/dbraw/zinc/88/09/09/603880909.db2.gz	BJUAJLSKVJONCH-UHFFFAOYSA-N	-1	0	288.347	3.412	20	30		CGEDRM
CC(=O)c1ccccc1OCc1cccc(C(=O)[O-])c1C#N	ZINC000833404057	604550050	/nfs/dbraw/zinc/55/00/50/604550050.db2.gz	VHSKFBQGPFGZOA-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
COCc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000831817328	604629845	/nfs/dbraw/zinc/62/98/45/604629845.db2.gz	JFOYHGWVGWIICK-BJMVGYQFSA-N	-1	0	296.322	3.427	20	30		CGEDRM
CC1(C)CCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371707	604669218	/nfs/dbraw/zinc/66/92/18/604669218.db2.gz	JBNIABOBSLQYDY-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
O=C([O-])c1ccc(NCC#Cc2ccc(F)cc2)cc1F	ZINC000833319818	604816215	/nfs/dbraw/zinc/81/62/15/604816215.db2.gz	GIPNGOPLSVFDGZ-UHFFFAOYSA-N	-1	0	287.265	3.127	20	30		CGEDRM
C=CCC[C@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833373716	604991548	/nfs/dbraw/zinc/99/15/48/604991548.db2.gz	ZHEVPXWIKJLMJI-VIFPVBQESA-N	-1	0	266.268	3.035	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CCOc2ccccc21	ZINC000752163540	605097708	/nfs/dbraw/zinc/09/77/08/605097708.db2.gz	ZXOZISXGWVHEFT-LBPRGKRZSA-N	-1	0	296.326	3.349	20	30		CGEDRM
C=C(C)CSCCOc1ccccc1C(=O)[O-]	ZINC000833370080	605158817	/nfs/dbraw/zinc/15/88/17/605158817.db2.gz	JZUQORJWACLRSG-UHFFFAOYSA-N	-1	0	252.335	3.073	20	30		CGEDRM
C=CCN(CC=C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000833374286	605204766	/nfs/dbraw/zinc/20/47/66/605204766.db2.gz	FDWLBRFIFGYQGT-UHFFFAOYSA-N	-1	0	298.342	3.214	20	30		CGEDRM
C/C(=C/CSc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000833386270	605263929	/nfs/dbraw/zinc/26/39/29/605263929.db2.gz	YXTGCWQJLLHSMV-YVMONPNESA-N	-1	0	267.737	3.335	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCCO1	ZINC000833386653	605330195	/nfs/dbraw/zinc/33/01/95/605330195.db2.gz	PEHLBSKLACWBIE-GFCCVEGCSA-N	-1	0	282.727	3.005	20	30		CGEDRM
N#Cc1c(F)cccc1OCc1cccc(NC(=O)[O-])c1	ZINC000833969458	605574836	/nfs/dbraw/zinc/57/48/36/605574836.db2.gz	DFXWLTDAXYYKBY-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
C#CCCCCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000833361762	605607334	/nfs/dbraw/zinc/60/73/34/605607334.db2.gz	KIJUVLYOQWDJOQ-CQSZACIVSA-N	-1	0	299.370	3.175	20	30		CGEDRM
C#CCCCCCC(=O)OCc1ccc(C(=O)[O-])s1	ZINC000833362112	605673584	/nfs/dbraw/zinc/67/35/84/605673584.db2.gz	ZSTSXPGPRDZVKC-UHFFFAOYSA-N	-1	0	280.345	3.073	20	30		CGEDRM
O=C([O-])c1ccc(C=NOC/C=C/Cl)c(Cl)c1	ZINC000811671684	617716033	/nfs/dbraw/zinc/71/60/33/617716033.db2.gz	JSFWEWXKCUKJGG-UOZKWQDASA-N	-1	0	274.103	3.141	20	30		CGEDRM
C#C[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000890655206	617734829	/nfs/dbraw/zinc/73/48/29/617734829.db2.gz	MYLKTFZJHCQSKU-SNVBAGLBSA-N	-1	0	297.276	3.039	20	30		CGEDRM
Cc1sc(NC(=O)c2ccnc(F)c2F)c(C#N)c1C	ZINC000097865353	617781980	/nfs/dbraw/zinc/78/19/80/617781980.db2.gz	CMTBHSCZBOBCDF-UHFFFAOYSA-N	-1	0	293.298	3.162	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000890811604	617868068	/nfs/dbraw/zinc/86/80/68/617868068.db2.gz	KDSMMQNHLMZYID-UHFFFAOYSA-N	-1	0	287.281	3.238	20	30		CGEDRM
O=C(CCc1ccccc1)[N-]S(=O)(=O)c1cccs1	ZINC000042243748	617994252	/nfs/dbraw/zinc/99/42/52/617994252.db2.gz	UPCGBOKPTYCNCQ-UHFFFAOYSA-N	-1	0	295.385	3.026	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1cccc(Cl)c1F	ZINC000846550019	618093847	/nfs/dbraw/zinc/09/38/47/618093847.db2.gz	QJHLIWNRKWZMJS-VIFPVBQESA-N	-1	0	285.746	3.379	20	30		CGEDRM
O=C(/C=C\c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255286399	618157232	/nfs/dbraw/zinc/15/72/32/618157232.db2.gz	YRXRVHPGILLNJF-VURMDHGXSA-N	-1	0	269.256	3.197	20	30		CGEDRM
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cc(F)ccc1[O-]	ZINC000255364909	618221209	/nfs/dbraw/zinc/22/12/09/618221209.db2.gz	MYMQVSMQJFXXHU-IWQZZHSRSA-N	-1	0	293.275	3.397	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C1CCOCC1	ZINC000255397657	618294430	/nfs/dbraw/zinc/29/44/30/618294430.db2.gz	RQZHOGAADYKGLF-CHHVJCJISA-N	-1	0	274.147	3.297	20	30		CGEDRM
CCSc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccn1	ZINC000176817982	618739745	/nfs/dbraw/zinc/73/97/45/618739745.db2.gz	AKFJMTFWIMPQDN-UHFFFAOYSA-N	-1	0	299.355	3.023	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(F)cc2F)c1	ZINC000255754058	618785134	/nfs/dbraw/zinc/78/51/34/618785134.db2.gz	HKGMUEMJMLBVPL-UHFFFAOYSA-N	-1	0	278.214	3.329	20	30		CGEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(O)cc1	ZINC000255862942	618807781	/nfs/dbraw/zinc/80/77/81/618807781.db2.gz	DSNRKLACNSJVQA-BHQIHCQQSA-N	-1	0	276.238	3.272	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000255891531	618864587	/nfs/dbraw/zinc/86/45/87/618864587.db2.gz	HVKTYRKJHCNLKN-ALCCZGGFSA-N	-1	0	299.282	3.205	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1CC=CCC1	ZINC000048518903	619503049	/nfs/dbraw/zinc/50/30/49/619503049.db2.gz	JDLCEYFEVFURPF-SNVBAGLBSA-N	-1	0	299.779	3.342	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1ccc(CC(=O)[O-])cc1	ZINC000793144495	619685928	/nfs/dbraw/zinc/68/59/28/619685928.db2.gz	CVTDUPDRMOABOB-NSHDSACASA-N	-1	0	263.337	3.100	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000909464646	619749452	/nfs/dbraw/zinc/74/94/52/619749452.db2.gz	QITHCLJDRIMKHH-OAHLLOKOSA-N	-1	0	281.396	3.130	20	30		CGEDRM
N#Cc1ccc(N[C@H]2CCC[C@H]2C(=O)[O-])c(C(F)(F)F)c1	ZINC000900978212	620822813	/nfs/dbraw/zinc/82/28/13/620822813.db2.gz	CDHCNHAOLHIQQB-KOLCDFICSA-N	-1	0	298.264	3.242	20	30		CGEDRM
C[C@H]1C(N=Nc2cc(F)ccc2F)CC[C@H]1CC(=O)[O-]	ZINC000901321239	620860299	/nfs/dbraw/zinc/86/02/99/620860299.db2.gz	VXNGZOAPFJASCK-BDAKNGLRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C=CCCC[C@@H](C(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000901459516	620893900	/nfs/dbraw/zinc/89/39/00/620893900.db2.gz	OVMBXBCPLJYYOG-OAHLLOKOSA-N	-1	0	289.375	3.060	20	30		CGEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000073288860	625506095	/nfs/dbraw/zinc/50/60/95/625506095.db2.gz	XLCNNUPSUBNRBE-NSHDSACASA-N	-1	0	275.414	3.145	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000909096328	622391317	/nfs/dbraw/zinc/39/13/17/622391317.db2.gz	IVZRIKSBJCJOKJ-JXMROGBWSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000909283713	622415265	/nfs/dbraw/zinc/41/52/65/622415265.db2.gz	DSLZMTSVLTXWTO-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000909284296	622415432	/nfs/dbraw/zinc/41/54/32/622415432.db2.gz	LPDVWZUGDZBZHB-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@@H](CC)[C@](F)(C(=O)[O-])C1	ZINC000910558562	622493316	/nfs/dbraw/zinc/49/33/16/622493316.db2.gz	ITVOVRPFWIASJZ-DOMZBBRYSA-N	-1	0	287.375	3.008	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910740575	622502527	/nfs/dbraw/zinc/50/25/27/622502527.db2.gz	YXWWSSULEOOSQL-UHFFFAOYSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000911386238	622530699	/nfs/dbraw/zinc/53/06/99/622530699.db2.gz	CZIPAMYGHBNWQB-UHFFFAOYSA-N	-1	0	286.331	3.407	20	30		CGEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000156605947	622826919	/nfs/dbraw/zinc/82/69/19/622826919.db2.gz	BYCJANSBCAOSNA-DHZHZOJOSA-N	-1	0	282.295	3.075	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cnc3ccccn23)c([O-])c1	ZINC000156705882	622835510	/nfs/dbraw/zinc/83/55/10/622835510.db2.gz	JKCWAACULBYNSU-SOFGYWHQSA-N	-1	0	278.311	3.244	20	30		CGEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cccs1	ZINC000157201089	622885677	/nfs/dbraw/zinc/88/56/77/622885677.db2.gz	INDBSFYTJPQMDJ-ZZXKWVIFSA-N	-1	0	275.285	3.258	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc(F)c1	ZINC000076761981	623052756	/nfs/dbraw/zinc/05/27/56/623052756.db2.gz	FMEZPEKIOKILPE-JTQLQIEISA-N	-1	0	287.356	3.016	20	30		CGEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C)C(F)(F)F	ZINC000834998142	623845964	/nfs/dbraw/zinc/84/59/64/623845964.db2.gz	CQPJSCZJEHGQTP-VGMNWLOBSA-N	-1	0	294.317	3.040	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NN[C@@H]1CCCC1(C)C	ZINC000814917713	623959977	/nfs/dbraw/zinc/95/99/77/623959977.db2.gz	PEYFRKGQPXIWKR-NTZNESFSSA-N	-1	0	266.385	3.032	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NN[C@@H]1CCCC1(C)C	ZINC000814917712	623961166	/nfs/dbraw/zinc/96/11/66/623961166.db2.gz	PEYFRKGQPXIWKR-NQBHXWOUSA-N	-1	0	266.385	3.032	20	30		CGEDRM
CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1ccc(N(C)C)cc1	ZINC000916240660	624123630	/nfs/dbraw/zinc/12/36/30/624123630.db2.gz	JFGOPJZYFKDJSM-UHFFFAOYSA-N	-1	0	297.358	3.287	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c(F)cccc2F)cc1	ZINC000916240524	624124072	/nfs/dbraw/zinc/12/40/72/624124072.db2.gz	FJKQPQBRSKBJQK-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000916255373	624125774	/nfs/dbraw/zinc/12/57/74/624125774.db2.gz	WEPUEOGVCDPUHH-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
CC(CCc1ccco1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000917022990	624227682	/nfs/dbraw/zinc/22/76/82/624227682.db2.gz	VGXLOQIUWZZQBG-UHFFFAOYSA-N	-1	0	272.304	3.398	20	30		CGEDRM
CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000070028902	624941589	/nfs/dbraw/zinc/94/15/89/624941589.db2.gz	KGMOLKHDAOZFBC-LBPRGKRZSA-N	-1	0	283.393	3.404	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])sc2C)CCC1	ZINC000923095470	626130508	/nfs/dbraw/zinc/13/05/08/626130508.db2.gz	SCIMWOJWKWPJFN-UHFFFAOYSA-N	-1	0	279.361	3.440	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccccc2C#N)c([O-])c1	ZINC000121325513	626192417	/nfs/dbraw/zinc/19/24/17/626192417.db2.gz	MCNBONZMVWLQCN-RMKNXTFCSA-N	-1	0	279.295	3.169	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2conc2C2CCCC2)c1	ZINC000867012449	626353266	/nfs/dbraw/zinc/35/32/66/626353266.db2.gz	GSMIVZFDRDEMLG-UHFFFAOYSA-N	-1	0	297.314	3.162	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000751205621	626380608	/nfs/dbraw/zinc/38/06/08/626380608.db2.gz	QCPJTWPZMYPNLC-RUDMXATFSA-N	-1	0	299.282	3.205	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(C3CC3)CCC2)c1	ZINC000751525050	626394203	/nfs/dbraw/zinc/39/42/03/626394203.db2.gz	ZRUPDABIIDNSOZ-CXUHLZMHSA-N	-1	0	274.320	3.300	20	30		CGEDRM
O=C([O-])c1cccc(N=NC[C@H]2CCOc3ccccc32)c1	ZINC000752157744	626420421	/nfs/dbraw/zinc/42/04/21/626420421.db2.gz	OZPORBJMUGLCSG-CYBMUJFWSA-N	-1	0	296.326	3.349	20	30		CGEDRM
COc1ccc(CNN=Cc2cccc(Cl)c2[O-])cc1	ZINC000753164244	626447142	/nfs/dbraw/zinc/44/71/42/626447142.db2.gz	YPCKFCNXIHEFNZ-UHFFFAOYSA-N	-1	0	290.750	3.178	20	30		CGEDRM
Cn1cc(CN=Nc2ccccc2C(=O)[O-])c2ccccc21	ZINC000755599607	626631145	/nfs/dbraw/zinc/63/11/45/626631145.db2.gz	CQWRWEXJBCBEEV-UHFFFAOYSA-N	-1	0	293.326	3.323	20	30		CGEDRM
CCC(=NOCC(F)(F)F)c1cc(C(=O)[O-])ccc1F	ZINC000756895127	626739854	/nfs/dbraw/zinc/73/98/54/626739854.db2.gz	JCAMKPRHMCGCFP-UHFFFAOYSA-N	-1	0	293.216	3.217	20	30		CGEDRM
O=C(/C=C/c1ccc(-n2cccn2)cc1)c1ccccc1[O-]	ZINC000757475389	626782048	/nfs/dbraw/zinc/78/20/48/626782048.db2.gz	SAJFRIYPMZWKLK-DHZHZOJOSA-N	-1	0	290.322	3.474	20	30		CGEDRM
O=c1[n-]c(N=NC=CCc2ccco2)nc2ccccc12	ZINC000757585872	626790863	/nfs/dbraw/zinc/79/08/63/626790863.db2.gz	QVTVWYHYEFVWNZ-WLKZSJHPSA-N	-1	0	280.287	3.040	20	30		CGEDRM
N#C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C1CCCCC1	ZINC000759538665	626904813	/nfs/dbraw/zinc/90/48/13/626904813.db2.gz	JROQBUHHENIOPM-ZDUSSCGKSA-N	-1	0	295.285	3.300	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccccc2F)c1	ZINC000759714196	626917632	/nfs/dbraw/zinc/91/76/32/626917632.db2.gz	XTBOOGAZRSZYAD-VURMDHGXSA-N	-1	0	282.274	3.055	20	30		CGEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])cnc1Cl	ZINC000760240267	626946936	/nfs/dbraw/zinc/94/69/36/626946936.db2.gz	BHDKRKHVFHJZLE-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCC(F)(F)CC2)c1	ZINC000761183390	627023015	/nfs/dbraw/zinc/02/30/15/627023015.db2.gz	ZWISYFBQPMARJF-LZYBPNLTSA-N	-1	0	284.262	3.297	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc3c(c2)ncn3C)c([O-])c1	ZINC000761206341	627025245	/nfs/dbraw/zinc/02/52/45/627025245.db2.gz	UNHXNIJRJTWHDV-YVMONPNESA-N	-1	0	292.338	3.483	20	30		CGEDRM
CC[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763369271	627154391	/nfs/dbraw/zinc/15/43/91/627154391.db2.gz	UVYRFDDDBJZQIC-JTQLQIEISA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC(CCc1ccsc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000764907339	627232702	/nfs/dbraw/zinc/23/27/02/627232702.db2.gz	JUQSNMLXGWFQSN-UHFFFAOYSA-N	-1	0	289.360	3.262	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccc(O)cc2)c1	ZINC000765824072	627273708	/nfs/dbraw/zinc/27/37/08/627273708.db2.gz	JHWFJNRYUQDOEZ-AATRIKPKSA-N	-1	0	274.297	3.048	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/COc3ccccc3C2=O)c1	ZINC000765826874	627274075	/nfs/dbraw/zinc/27/40/75/627274075.db2.gz	UIQFGMRGVATSDX-UITAMQMPSA-N	-1	0	286.308	3.105	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)c(F)cc2F)cc1	ZINC000767734892	627433626	/nfs/dbraw/zinc/43/36/26/627433626.db2.gz	PRQIZTKGARESMW-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])ccc1O	ZINC000772807174	627824650	/nfs/dbraw/zinc/82/46/50/627824650.db2.gz	PWLFCTHGRHAYCJ-UQCOIBPSSA-N	-1	0	299.282	3.211	20	30		CGEDRM
Cn1cnc2cc(C=CC(=O)c3sccc3[O-])ccc21	ZINC000773151801	627863076	/nfs/dbraw/zinc/86/30/76/627863076.db2.gz	YFUXZLNFIUHKEN-HWKANZROSA-N	-1	0	284.340	3.237	20	30		CGEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc(F)c([O-])c(F)c1	ZINC000773161086	627864178	/nfs/dbraw/zinc/86/41/78/627864178.db2.gz	OUPIGNFYQLQRAH-JYOAFUTRSA-N	-1	0	298.248	3.035	20	30		CGEDRM
CC(=NOC1CCCCC1)c1cc(C(=O)[O-])ccc1O	ZINC000777456762	628272780	/nfs/dbraw/zinc/27/27/80/628272780.db2.gz	GVEJXYKOXAKOCZ-UHFFFAOYSA-N	-1	0	277.320	3.164	20	30		CGEDRM
CC(=NOC1CCCCC1)c1cccc(OCC(=O)[O-])c1	ZINC000777460550	628273683	/nfs/dbraw/zinc/27/36/83/628273683.db2.gz	YNECCRYFYILLAG-UHFFFAOYSA-N	-1	0	291.347	3.223	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C2CC2)n1	ZINC000784818993	628834010	/nfs/dbraw/zinc/83/40/10/628834010.db2.gz	FTIMOFZBLIOUOJ-SNVBAGLBSA-N	-1	0	287.344	3.115	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1C	ZINC000786447871	628934146	/nfs/dbraw/zinc/93/41/46/628934146.db2.gz	OCKRPZFYVMYEKE-WQAKAFBOSA-N	-1	0	280.327	3.024	20	30		CGEDRM
Cc1c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cnn1C(C)C	ZINC000787186841	629000565	/nfs/dbraw/zinc/00/05/65/629000565.db2.gz	OEUOBLZZPWSLMG-BQYQJAHWSA-N	-1	0	298.342	3.367	20	30		CGEDRM
O=C([O-])c1cc(N=NCCC2CCOCC2)ccc1Cl	ZINC000788698858	629074144	/nfs/dbraw/zinc/07/41/44/629074144.db2.gz	MUSWSKCXVWOXCJ-UHFFFAOYSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC000125537685	634722504	/nfs/dbraw/zinc/72/25/04/634722504.db2.gz	OTTLBQVKLDLKJH-CHWSQXEVSA-N	-1	0	269.385	3.059	20	30		CGEDRM
CCCCCC1=CCCC1=NN[C@H](CC)C(=O)[O-]	ZINC000793072877	629408111	/nfs/dbraw/zinc/40/81/11/629408111.db2.gz	QSAWEBBBKXCJMQ-GFCCVEGCSA-N	-1	0	252.358	3.096	20	30		CGEDRM
CC[C@H](NN=C(Cc1ccc(C)cc1)C(C)C)C(=O)[O-]	ZINC000793082061	629409397	/nfs/dbraw/zinc/40/93/97/629409397.db2.gz	UWBSAPJDITYIEI-AWEZNQCLSA-N	-1	0	276.380	3.002	20	30		CGEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)C1CC(F)(F)C1	ZINC000863127189	629481547	/nfs/dbraw/zinc/48/15/47/629481547.db2.gz	WGZHMBIZCHZZFR-UHFFFAOYSA-N	-1	0	282.290	3.147	20	30		CGEDRM
O=C([O-])Cc1ccc(/C=C\C(=O)C2CCCCC2)cc1	ZINC000863180703	629489964	/nfs/dbraw/zinc/48/99/64/629489964.db2.gz	HOHHSKJYOGHHAV-KHPPLWFESA-N	-1	0	272.344	3.476	20	30		CGEDRM
CC(C)CON=c1[n-]c2c(c(C#N)c1C#N)CCCCCC2	ZINC000795117947	629633953	/nfs/dbraw/zinc/63/39/53/629633953.db2.gz	BVMDNUHAKXBNHX-UHFFFAOYSA-N	-1	0	298.390	3.483	20	30		CGEDRM
C=CCCCCCNC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000864153015	629786866	/nfs/dbraw/zinc/78/68/66/629786866.db2.gz	VSKUDWDYBYKMLY-UHFFFAOYSA-N	-1	0	275.348	3.169	20	30		CGEDRM
CCCCCCCNC(=O)CCc1ccccc1C(=O)[O-]	ZINC000864159898	629787201	/nfs/dbraw/zinc/78/72/01/629787201.db2.gz	BYRXQPWZVPKUHX-UHFFFAOYSA-N	-1	0	291.391	3.404	20	30		CGEDRM
O=C([O-])Cn1cc(C=NOC2CCCC2)c2ccccc21	ZINC000799883820	630238832	/nfs/dbraw/zinc/23/88/32/630238832.db2.gz	SPZOBHNSFRQERI-UHFFFAOYSA-N	-1	0	286.331	3.019	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C3CCC3)CCC2)c1	ZINC000836779730	634800473	/nfs/dbraw/zinc/80/04/73/634800473.db2.gz	JIIZFEBSVUROKP-UHFFFAOYSA-N	-1	0	270.332	3.173	20	30		CGEDRM
Cc1[nH]c(C=NNc2cccc3cnccc32)cc1C(=O)[O-]	ZINC000800812052	630301263	/nfs/dbraw/zinc/30/12/63/630301263.db2.gz	TWKPMIIYCUELOI-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccnc2Cl)c1	ZINC000806558956	630566838	/nfs/dbraw/zinc/56/68/38/630566838.db2.gz	QJRLQBFBJJEEGM-VOTSOKGWSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CCC(=NOC/C=C/Cl)c1cc(C(=O)[O-])ccc1F	ZINC000811669415	631107762	/nfs/dbraw/zinc/10/77/62/631107762.db2.gz	DQSQIHFNEPKHKZ-PWCPDNTMSA-N	-1	0	285.702	3.407	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C/c1cc(F)c([O-])c(F)c1)C2	ZINC000811696673	631111519	/nfs/dbraw/zinc/11/15/19/631111519.db2.gz	VQROBHYZYIBAQR-KGVSQERTSA-N	-1	0	297.260	3.364	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2cc(F)ccc2[O-])c(C(F)F)n1	ZINC000812243550	631231263	/nfs/dbraw/zinc/23/12/63/631231263.db2.gz	OHZYKPPQIOQTTM-RQOWECAXSA-N	-1	0	296.248	3.099	20	30		CGEDRM
CC[C@@H](C)CON=c1[n-]c(C)c(C#N)cc1Cl	ZINC000813622771	631446638	/nfs/dbraw/zinc/44/66/38/631446638.db2.gz	SJGJFMLSUDBPOA-MRVPVSSYSA-N	-1	0	253.733	3.305	20	30		CGEDRM
CC1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000814689795	631624128	/nfs/dbraw/zinc/62/41/28/631624128.db2.gz	GHHFQKYDNLEFLU-UHFFFAOYSA-N	-1	0	252.701	3.236	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1C#N	ZINC000814687710	631624457	/nfs/dbraw/zinc/62/44/57/631624457.db2.gz	RZNDIFNNLLCWQY-UHFFFAOYSA-N	-1	0	279.299	3.093	20	30		CGEDRM
CC(CC(F)(F)F)N=Nc1ccccc1C(=O)[O-]	ZINC000814769176	631636895	/nfs/dbraw/zinc/63/68/95/631636895.db2.gz	VCHMDRKGCFCJLZ-UHFFFAOYSA-N	-1	0	260.215	3.125	20	30		CGEDRM
C[C@@H]1C(=NOCc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814791406	631639910	/nfs/dbraw/zinc/63/99/10/631639910.db2.gz	GLVAKPZGJHREJP-AAEUAGOBSA-N	-1	0	261.321	3.080	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cncc(Cl)n1	ZINC000814797955	631641690	/nfs/dbraw/zinc/64/16/90/631641690.db2.gz	SPAOHQQHBPBDHX-UHFFFAOYSA-N	-1	0	298.774	3.343	20	30		CGEDRM
CC(=NNc1cccc(F)c1)c1csc(C(=O)[O-])c1	ZINC000814814835	631647326	/nfs/dbraw/zinc/64/73/26/631647326.db2.gz	BOFZVZYPPLVURD-UHFFFAOYSA-N	-1	0	278.308	3.422	20	30		CGEDRM
Cc1ccc(N=NC2CCCc3cc(C(=O)[O-])ccc32)nc1	ZINC000814831873	631651088	/nfs/dbraw/zinc/65/10/88/631651088.db2.gz	VFMIOVIYOYDXNX-UHFFFAOYSA-N	-1	0	295.342	3.241	20	30		CGEDRM
Cc1cc(F)ccc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814884932	631665232	/nfs/dbraw/zinc/66/52/32/631665232.db2.gz	FBZBWWPTQZRVED-QWRGUYRKSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C[C@@H]1CC(=NOCc2ccc(F)cc2)CC[C@H]1C(=O)[O-]	ZINC000814903566	631673287	/nfs/dbraw/zinc/67/32/87/631673287.db2.gz	PBSQFTKMFLBHBR-QMTHXVAHSA-N	-1	0	279.311	3.219	20	30		CGEDRM
C[C@@H]1CC(N=N[C@@H]2CCCCC2(C)C)CC[C@@H]1C(=O)[O-]	ZINC000814918052	631680924	/nfs/dbraw/zinc/68/09/24/631680924.db2.gz	ZJSQJNDEZCHFRG-KWCYVHTRSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1CC(N=N[C@@H]2CCCCC2(C)C)CC[C@H]1C(=O)[O-]	ZINC000814918053	631681100	/nfs/dbraw/zinc/68/11/00/631681100.db2.gz	ZJSQJNDEZCHFRG-MRVWCRGKSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(=NN[C@@H]1CCCC1(C)C)c1csc(C(=O)[O-])c1	ZINC000814917999	631681188	/nfs/dbraw/zinc/68/11/88/631681188.db2.gz	YEINBWRRVBZTGL-GFCCVEGCSA-N	-1	0	280.393	3.339	20	30		CGEDRM
C[C@@H]1C(=NOCCC2CC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814941609	631694952	/nfs/dbraw/zinc/69/49/52/631694952.db2.gz	NOBACPLZQAJIQD-ZYHUDNBSSA-N	-1	0	267.369	3.316	20	30		CGEDRM
CC(C)(C)CC(=NNCC(=O)[O-])c1ccc(Cl)cc1	ZINC000814961235	631699132	/nfs/dbraw/zinc/69/91/32/631699132.db2.gz	ZGZLVGWTRXGJNX-UHFFFAOYSA-N	-1	0	282.771	3.155	20	30		CGEDRM
CCOc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814985143	631702719	/nfs/dbraw/zinc/70/27/19/631702719.db2.gz	UGBOGTJJMVPRDI-VXGBXAGGSA-N	-1	0	290.363	3.374	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC3(C2)CCCCC3)n1	ZINC000817321906	632120465	/nfs/dbraw/zinc/12/04/65/632120465.db2.gz	UOXDBPUOZVNREX-UHFFFAOYSA-N	-1	0	260.341	3.003	20	30		CGEDRM
Cc1ccsc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000210009376	635778193	/nfs/dbraw/zinc/77/81/93/635778193.db2.gz	CNDCPTBUOWJFGJ-PLNGDYQASA-N	-1	0	260.314	3.364	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cccc3cccnc23)c1	ZINC000818199952	632296609	/nfs/dbraw/zinc/29/66/09/632296609.db2.gz	VYDRZICCKAGILD-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C(F)=C2CCC2)n1	ZINC000819937983	632541105	/nfs/dbraw/zinc/54/11/05/632541105.db2.gz	OCMJTIOMBKUUBX-VIFPVBQESA-N	-1	0	250.298	3.035	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3c(s2)CCC3)c1	ZINC000121869237	633271687	/nfs/dbraw/zinc/27/16/87/633271687.db2.gz	RUMATPIGKBZJLU-UHFFFAOYSA-N	-1	0	284.340	3.066	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](c1cccnc1)C1CCCCC1	ZINC000869153873	633409752	/nfs/dbraw/zinc/40/97/52/633409752.db2.gz	HUHSNWHKERWTAY-INIZCTEOSA-N	-1	0	288.391	3.369	20	30		CGEDRM
C=CC[C@H]1N(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCCC1(C)C	ZINC000826572003	633415484	/nfs/dbraw/zinc/41/54/84/633415484.db2.gz	MUXHAEPIUISFBL-HZSPNIEDSA-N	-1	0	293.407	3.081	20	30		CGEDRM
N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000826861305	633438101	/nfs/dbraw/zinc/43/81/01/633438101.db2.gz	DRIGMOJRGSQFAS-SNVBAGLBSA-N	-1	0	282.746	3.310	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000121365144	633501362	/nfs/dbraw/zinc/50/13/62/633501362.db2.gz	DKNKKCMXMWLLGY-FNORWQNLSA-N	-1	0	294.266	3.068	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H](F)CC2CCCCC2)c1	ZINC000870690275	633626921	/nfs/dbraw/zinc/62/69/21/633626921.db2.gz	LYVXPJIJZXZISA-HNNXBMFYSA-N	-1	0	290.338	3.277	20	30		CGEDRM
CC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCCCC1	ZINC000870691449	633627731	/nfs/dbraw/zinc/62/77/31/633627731.db2.gz	LONHBVATGITEBC-UHFFFAOYSA-N	-1	0	272.348	3.329	20	30		CGEDRM
CCC[C@](C)(CC)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690940	633627873	/nfs/dbraw/zinc/62/78/73/633627873.db2.gz	XACRBVODTOPJBM-HNNXBMFYSA-N	-1	0	260.337	3.185	20	30		CGEDRM
CCCCc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1C	ZINC000871955181	633925477	/nfs/dbraw/zinc/92/54/77/633925477.db2.gz	RZRQPWQWBOXGJV-SECBINFHSA-N	-1	0	290.754	3.136	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1	ZINC000831272293	633935564	/nfs/dbraw/zinc/93/55/64/633935564.db2.gz	UCAPMCMHZOEROZ-SECBINFHSA-N	-1	0	299.157	3.176	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCC(F)(F)C2)cc1	ZINC000872324425	634108627	/nfs/dbraw/zinc/10/86/27/634108627.db2.gz	RDUBTNGUXLJXMV-SECBINFHSA-N	-1	0	268.263	3.218	20	30		CGEDRM
C[C@@H]1CC(=NNC2CCC(C)(C)CC2)CC[C@H]1C(=O)[O-]	ZINC000872395333	634130230	/nfs/dbraw/zinc/13/02/30/634130230.db2.gz	IOWMDTCMPIFYIR-BXUZGUMPSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000873005220	634229931	/nfs/dbraw/zinc/22/99/31/634229931.db2.gz	MMZCMWKPVURTLA-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
CC(=NN[C@@H](C)C(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000834998822	634306759	/nfs/dbraw/zinc/30/67/59/634306759.db2.gz	NDCNSXZTWZBHAG-AEJSXWLSSA-N	-1	0	294.317	3.040	20	30		CGEDRM
CC(CCCC(F)(F)F)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006265	634311533	/nfs/dbraw/zinc/31/15/33/634311533.db2.gz	CFWUNOAAYOCSDI-UHFFFAOYSA-N	-1	0	289.257	3.300	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C[C@@H](C)C1	ZINC000835007012	634311651	/nfs/dbraw/zinc/31/16/51/634311651.db2.gz	ONUNATDAONALOG-AOOOYVTPSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCC[C@H](C)C(CC)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006476	634311808	/nfs/dbraw/zinc/31/18/08/634311808.db2.gz	FUMDFVRMZHZTJP-JTQLQIEISA-N	-1	0	263.341	3.394	20	30		CGEDRM
CO[C@]1(C)CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1(C)C	ZINC000835010107	634314530	/nfs/dbraw/zinc/31/45/30/634314530.db2.gz	OLRHAXISRSXVQV-OAHLLOKOSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C=CCON=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000835014758	634317874	/nfs/dbraw/zinc/31/78/74/634317874.db2.gz	LTBINARYAJJXTM-UHFFFAOYSA-N	-1	0	287.315	3.295	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C2=CC[C@H](C)CC2)n1	ZINC000835035239	634327707	/nfs/dbraw/zinc/32/77/07/634327707.db2.gz	DXFDQSRNFLIWKY-CABZTGNLSA-N	-1	0	260.362	3.374	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2F)c1	ZINC000126279145	634942433	/nfs/dbraw/zinc/94/24/33/634942433.db2.gz	JJFJHKAGPWRSMS-CMDGGOBGSA-N	-1	0	270.259	3.420	20	30		CGEDRM
CC(CCCCC#N)N=Nc1ccc(C(=O)[O-])cc1	ZINC000841602031	635195285	/nfs/dbraw/zinc/19/52/85/635195285.db2.gz	KIEOSPZQRROMOG-UHFFFAOYSA-N	-1	0	259.309	3.257	20	30		CGEDRM
CC[C@@H](NN=C1CC[C@H](c2cccc(Cl)c2)C1)C(=O)[O-]	ZINC000841642493	635206169	/nfs/dbraw/zinc/20/61/69/635206169.db2.gz	SJYVLIHBEMAAOY-SMDDNHRTSA-N	-1	0	294.782	3.416	20	30		CGEDRM
Cc1ccc2c(c1)[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])CO2	ZINC000121543725	635692961	/nfs/dbraw/zinc/69/29/61/635692961.db2.gz	CELWAMMYLLQSEI-CNGOAVBNSA-N	-1	0	298.298	3.161	20	30		CGEDRM
CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000843842144	635788015	/nfs/dbraw/zinc/78/80/15/635788015.db2.gz	FVLRCGTUGCWBBO-NWDGAFQWSA-N	-1	0	272.348	3.275	20	30		CGEDRM
Cc1c(N=NC(C)CC(F)(F)F)cccc1C(=O)[O-]	ZINC000844623318	635944712	/nfs/dbraw/zinc/94/47/12/635944712.db2.gz	LSYQTTIHMKJYKC-UHFFFAOYSA-N	-1	0	274.242	3.433	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](CC(C)C)c1ccccc1	ZINC000846537036	636194943	/nfs/dbraw/zinc/19/49/43/636194943.db2.gz	GJWSLDJNNYJTRK-OAHLLOKOSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccccc2)CCCC1	ZINC000846538453	636195420	/nfs/dbraw/zinc/19/54/20/636195420.db2.gz	UZMMZJLUHWGNES-UHFFFAOYSA-N	-1	0	259.349	3.122	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CSc1cc(C)ccc1C	ZINC000846541162	636196560	/nfs/dbraw/zinc/19/65/60/636196560.db2.gz	PQBXEGUDIZABAJ-LBPRGKRZSA-N	-1	0	265.378	3.018	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc(Cl)cc1	ZINC000846548552	636199156	/nfs/dbraw/zinc/19/91/56/636199156.db2.gz	FPURAGHHGFPLMW-SNVBAGLBSA-N	-1	0	267.756	3.240	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc(Cl)cc1F	ZINC000846554691	636202182	/nfs/dbraw/zinc/20/21/82/636202182.db2.gz	LKGHRNNJZSHZFD-SECBINFHSA-N	-1	0	285.746	3.379	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000129510596	636289771	/nfs/dbraw/zinc/28/97/71/636289771.db2.gz	PAQZFDBZWXRKKV-YCRREMRBSA-N	-1	0	299.282	3.205	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2nc3ccccc3s2)c1	ZINC000129877821	636389823	/nfs/dbraw/zinc/38/98/23/636389823.db2.gz	IJXNFIYWUILQJR-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1(C)C	ZINC000086055937	636782083	/nfs/dbraw/zinc/78/20/83/636782083.db2.gz	WIEKWOKRSGPNCY-QWHCGFSZSA-N	-1	0	299.436	3.454	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CC2)cc1	ZINC000850751543	637145202	/nfs/dbraw/zinc/14/52/02/637145202.db2.gz	CXLTWMWRMAZUBP-MRXNPFEDSA-N	-1	0	298.386	3.193	20	30		CGEDRM
Cc1cc(F)c(C(=O)Nc2cc(C#N)ccc2[O-])cc1F	ZINC000136966208	637410723	/nfs/dbraw/zinc/41/07/23/637410723.db2.gz	CIBUJLUORDUPHI-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nsc2ccccc21	ZINC000886414329	637526103	/nfs/dbraw/zinc/52/61/03/637526103.db2.gz	RIHCZRAGMKUGCG-UHFFFAOYSA-N	-1	0	282.390	3.004	20	30		CGEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(F)F	ZINC000887268066	637785462	/nfs/dbraw/zinc/78/54/62/637785462.db2.gz	AYCIAWSMYPNRIN-FRKPEAEDSA-N	-1	0	286.278	3.401	20	30		CGEDRM
CO[C@@H](CN=Nc1ccccc1C(=O)[O-])C1CCCCC1	ZINC000853280693	637800163	/nfs/dbraw/zinc/80/01/63/637800163.db2.gz	OTZUKIPHBQYYOW-HNNXBMFYSA-N	-1	0	290.363	3.378	20	30		CGEDRM
C[C@@H]1CCCCN1N=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000853381494	637830672	/nfs/dbraw/zinc/83/06/72/637830672.db2.gz	DPSFYHRUXCBNOF-UPJWGTAASA-N	-1	0	280.412	3.374	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc(Cl)c1	ZINC000853394976	637834074	/nfs/dbraw/zinc/83/40/74/637834074.db2.gz	GHPKNQCYBQEGRV-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCCCCCCC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000856992849	638423702	/nfs/dbraw/zinc/42/37/02/638423702.db2.gz	DCAFYYZDJWTCGP-SNVBAGLBSA-N	-1	0	298.408	3.379	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000857294255	638488885	/nfs/dbraw/zinc/48/88/85/638488885.db2.gz	BTWMMJNKVCSVPP-LBPRGKRZSA-N	-1	0	297.399	3.120	20	30		CGEDRM
N#CC(=C([O-])c1ccnc(Cl)c1)c1nc2ccccc2o1	ZINC000041541144	639905353	/nfs/dbraw/zinc/90/53/53/639905353.db2.gz	IJQJNMUYFGOUDW-JTQLQIEISA-N	-1	0	297.701	3.366	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CC1	ZINC000048496678	640056261	/nfs/dbraw/zinc/05/62/61/640056261.db2.gz	YLOVKNZLOBLPQI-CLFYSBASSA-N	-1	0	299.779	3.342	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000076766674	640214097	/nfs/dbraw/zinc/21/40/97/640214097.db2.gz	XXISTVRGWBYPPK-LLVKDONJSA-N	-1	0	295.404	3.257	20	30		CGEDRM
Cc1ncsc1C=CC(=O)c1sccc1[O-]	ZINC000193150036	640436598	/nfs/dbraw/zinc/43/65/98/640436598.db2.gz	ADWSAFYMIHOPAV-NSCUHMNNSA-N	-1	0	251.332	3.115	20	30		CGEDRM
C[C@@]1(C#N)CCN(Cc2cc([O-])c(Cl)c(F)c2F)C1	ZINC001250415094	805601165	/nfs/dbraw/zinc/60/11/65/805601165.db2.gz	NZXVQSSFBWIDQO-ZDUSSCGKSA-N	-1	0	286.709	3.059	20	30		CGEDRM
N#Cc1cnc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)nc1	ZINC001250509322	805665100	/nfs/dbraw/zinc/66/51/00/805665100.db2.gz	KUBDLTTVXWLHJU-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1ccccc1-c1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC001250582489	805707091	/nfs/dbraw/zinc/70/70/91/805707091.db2.gz	GZHSWKIPLAMNEY-UHFFFAOYSA-N	-1	0	294.310	3.029	20	30		CGEDRM
N#Cc1cccc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)c1	ZINC001250584327	805708953	/nfs/dbraw/zinc/70/89/53/805708953.db2.gz	QZKKYTWTWBHAGF-UHFFFAOYSA-N	-1	0	294.310	3.029	20	30		CGEDRM
N#Cc1cc(-c2c(F)cc(F)c([O-])c2F)ccc1F	ZINC001250636249	805740885	/nfs/dbraw/zinc/74/08/85/805740885.db2.gz	YPAYHKYOIVYFJN-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
CCCCCCC[C@@H](C)[N-]S(=O)(=O)CC(F)(F)F	ZINC001253255876	806198093	/nfs/dbraw/zinc/19/80/93/806198093.db2.gz	ZCJIWSZTSHKIEZ-SNVBAGLBSA-N	-1	0	289.363	3.217	20	30		CGEDRM
CCCCCCCCCc1cn(CCCC(=O)[O-])nn1	ZINC001254086449	806338752	/nfs/dbraw/zinc/33/87/52/806338752.db2.gz	NBEVOEHCLOCVQM-UHFFFAOYSA-N	-1	0	281.400	3.436	20	30		CGEDRM
C#C[C@H](C)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC001161210152	806358250	/nfs/dbraw/zinc/35/82/50/806358250.db2.gz	BFUIBHPFNWIRGQ-NSHDSACASA-N	-1	0	299.757	3.464	20	30		CGEDRM
CC(C)(C)CCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176398212	799095005	/nfs/dbraw/zinc/09/50/05/799095005.db2.gz	ZVJCXVUOQPRMBL-UHFFFAOYSA-N	-1	0	260.337	3.419	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1cc(C)ccc1Cl)C(=O)[O-]	ZINC000316080726	799239762	/nfs/dbraw/zinc/23/97/62/799239762.db2.gz	OGNDDJXKWQZIPR-NSHDSACASA-N	-1	0	296.754	3.189	20	30		CGEDRM
Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cnn1C(C)C	ZINC000588559694	799711743	/nfs/dbraw/zinc/71/17/43/799711743.db2.gz	JWKBZCYERNHIGF-TWGQIWQCSA-N	-1	0	298.342	3.367	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1sccc1[O-]	ZINC000588598798	799720288	/nfs/dbraw/zinc/72/02/88/799720288.db2.gz	CRMVIXOAKQQEQD-PLNGDYQASA-N	-1	0	276.361	3.370	20	30		CGEDRM
CCCCCCc1nnc(-c2ccc(C#N)cc2[O-])o1	ZINC001256396183	806881089	/nfs/dbraw/zinc/88/10/89/806881089.db2.gz	XXAIDHJRZPXERN-UHFFFAOYSA-N	-1	0	271.320	3.437	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC001164413858	806945571	/nfs/dbraw/zinc/94/55/71/806945571.db2.gz	JEALUTNYVGPRLM-LXTVHRRPSA-N	-1	0	283.412	3.086	20	30		CGEDRM
CCCCCCC[C@H](CCC)N[C@H]1SC(=O)[N-]C1=O	ZINC001172501386	808357856	/nfs/dbraw/zinc/35/78/56/808357856.db2.gz	HFJXGYFADCRKDZ-AAEUAGOBSA-N	-1	0	286.441	3.414	20	30		CGEDRM
CSc1ccsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122715076	802882426	/nfs/dbraw/zinc/88/24/26/802882426.db2.gz	WFLNWMMXJXOKJI-QMMMGPOBSA-N	-1	0	292.360	3.494	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C	ZINC001123286664	802925139	/nfs/dbraw/zinc/92/51/39/802925139.db2.gz	ZOXIEXUWVXOUMX-UHFFFAOYSA-N	-1	0	291.347	3.467	20	30		CGEDRM
N#Cc1cc2c(nc1-c1c([O-])cccc1Cl)CCOC2	ZINC001244036181	803154384	/nfs/dbraw/zinc/15/43/84/803154384.db2.gz	JNPITRUTPXYGHZ-UHFFFAOYSA-N	-1	0	286.718	3.052	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(CC#N)cc2C)c1	ZINC001244178115	803227623	/nfs/dbraw/zinc/22/76/23/803227623.db2.gz	YTCXLVDYYFFLKD-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1nc(C)ccc1C#N	ZINC001244418632	803360367	/nfs/dbraw/zinc/36/03/67/803360367.db2.gz	UJEMCKOLAFFYCP-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1c(C)ccnc1C#N	ZINC001244419672	803360480	/nfs/dbraw/zinc/36/04/80/803360480.db2.gz	NYQSMUCZPOFFLR-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244609837	803463335	/nfs/dbraw/zinc/46/33/35/803463335.db2.gz	GEOBRICHQGPKIK-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1ccc(-c2ccc(Cl)c([O-])c2F)c(C#N)n1	ZINC001244633676	803476086	/nfs/dbraw/zinc/47/60/86/803476086.db2.gz	WOBPVLUZBYAABK-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(-c2cccc(Cl)c2C#N)cnc1C(=O)[O-]	ZINC001244734692	803515334	/nfs/dbraw/zinc/51/53/34/803515334.db2.gz	YBVNFTAJRQSMMF-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(-c2cnc(F)c(C(=O)[O-])c2)n1	ZINC001244751706	803519182	/nfs/dbraw/zinc/51/91/82/803519182.db2.gz	JCCWIDIXDONWIH-UHFFFAOYSA-N	-1	0	299.305	3.150	20	30		CGEDRM
N#CCc1c[nH]c2cccc(-c3cnc(F)c(C(=O)[O-])c3)c12	ZINC001244756157	803521553	/nfs/dbraw/zinc/52/15/53/803521553.db2.gz	SWDOJDOJHSUCEO-UHFFFAOYSA-N	-1	0	295.273	3.133	20	30		CGEDRM
N#Cc1cnc(-c2cc(C(=O)[O-])cnc2F)c2ccccc12	ZINC001244757355	803522017	/nfs/dbraw/zinc/52/20/17/803522017.db2.gz	UYACDZPXWKTAOE-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
CCc1cc(-c2ccc(S(=O)(=O)[O-])cc2)ccc1C#N	ZINC001244954685	803590935	/nfs/dbraw/zinc/59/09/35/803590935.db2.gz	UQYVTZWEMOHROP-UHFFFAOYSA-N	-1	0	287.340	3.034	20	30		CGEDRM
CCc1cc(-c2cccc(S(=O)(=O)[O-])c2)ccc1C#N	ZINC001244955857	803591350	/nfs/dbraw/zinc/59/13/50/803591350.db2.gz	OJTNWGKWWMDIBA-UHFFFAOYSA-N	-1	0	287.340	3.034	20	30		CGEDRM
COc1cc(-c2ccc(/C=N/[O-])c(F)c2)c(Cl)cn1	ZINC001245044727	803619977	/nfs/dbraw/zinc/61/99/77/803619977.db2.gz	YBZLCXQUFGYWPO-UBKPWBPPSA-N	-1	0	280.686	3.358	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cc(C#N)cc(C#N)c1	ZINC001245298325	803694129	/nfs/dbraw/zinc/69/41/29/803694129.db2.gz	AAETUTAVZUBIMC-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
N#CCc1cccc(-c2cc(CC(=O)[O-])ccc2F)c1	ZINC001245315441	803698299	/nfs/dbraw/zinc/69/82/99/803698299.db2.gz	DILISRBWBMXMHI-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1ccc(-c2cc(CC(=O)[O-])ccc2F)c2cc[nH]c21	ZINC001245319914	803700669	/nfs/dbraw/zinc/70/06/69/803700669.db2.gz	ZCFMIXATNOJOAA-UHFFFAOYSA-N	-1	0	294.285	3.473	20	30		CGEDRM
Cc1nccc(-c2ccc(C(=O)[O-])cc2Cl)c1C#N	ZINC001245374074	803718629	/nfs/dbraw/zinc/71/86/29/803718629.db2.gz	GMXDKNNSSDJKJE-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1ccc(O)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211967039	814962998	/nfs/dbraw/zinc/96/29/98/814962998.db2.gz	SHQPOLYMPOJOLI-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cc([O-])c(F)c(F)c2F)n1	ZINC001245636735	803871815	/nfs/dbraw/zinc/87/18/15/803871815.db2.gz	NVOHCWPFNGXRSF-UHFFFAOYSA-N	-1	0	296.248	3.140	20	30		CGEDRM
COc1ccnc(-c2cc(Cl)c([O-])cc2F)c1C#N	ZINC001245667390	803896441	/nfs/dbraw/zinc/89/64/41/803896441.db2.gz	HGZVLTXCQIGYDA-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1cc(-c2c(F)ccc([O-])c2Cl)nc(C2CC2)n1	ZINC001245833191	803988324	/nfs/dbraw/zinc/98/83/24/803988324.db2.gz	UNZGRISYYHZKCG-UHFFFAOYSA-N	-1	0	289.697	3.391	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C	ZINC001140880096	804540175	/nfs/dbraw/zinc/54/01/75/804540175.db2.gz	XRAHXYGWCGDQBP-CYBMUJFWSA-N	-1	0	277.364	3.120	20	30		CGEDRM
C#CCN(C(=O)c1ccc(Cl)c([O-])c1)C1CCCCC1	ZINC001142868911	804776282	/nfs/dbraw/zinc/77/62/82/804776282.db2.gz	CHDAVYHTPQUKTJ-UHFFFAOYSA-N	-1	0	291.778	3.454	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C	ZINC001144590335	805010635	/nfs/dbraw/zinc/01/06/35/805010635.db2.gz	ZVRXYNLVNNAUHM-FZMZJTMJSA-N	-1	0	297.782	3.366	20	30		CGEDRM
N#Cc1oc2ccccc2c1[N-]C(=O)c1cc(C2CC2)on1	ZINC001146917446	805098678	/nfs/dbraw/zinc/09/86/78/805098678.db2.gz	KJMQMYMQOWOJIX-UHFFFAOYSA-N	-1	0	293.282	3.422	20	30		CGEDRM
CCCCCCCNC(=O)c1cc(F)cc(F)c1[O-]	ZINC001148484049	805188090	/nfs/dbraw/zinc/18/80/90/805188090.db2.gz	YEXWQPIVDBTLGU-UHFFFAOYSA-N	-1	0	271.307	3.371	20	30		CGEDRM
COc1cccc(Nc2cc([O-])c(F)c(F)c2F)c1C#N	ZINC001249965033	805332428	/nfs/dbraw/zinc/33/24/28/805332428.db2.gz	RSRYTSJROPGZNW-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1ccccc1Cc1ccc(/C=C/C(=O)[O-])cc1	ZINC001250046057	805385639	/nfs/dbraw/zinc/38/56/39/805385639.db2.gz	NPJVHWZBXRBKAM-MDZDMXLPSA-N	-1	0	263.296	3.247	20	30		CGEDRM
O=C(CCc1nnc(CC2CCCC2)o1)C1=CC=C[CH]1	ZINC001258654704	807524801	/nfs/dbraw/zinc/52/48/01/807524801.db2.gz	BZTIFXGLTUFCJY-UHFFFAOYSA-N	-1	0	271.340	3.004	20	30		CGEDRM
N#Cc1ccc(F)cc1[N-]S(=O)(=O)CC1CCCCC1	ZINC001259618181	807681755	/nfs/dbraw/zinc/68/17/55/807681755.db2.gz	COZNXFFTUAKGQS-UHFFFAOYSA-N	-1	0	296.367	3.019	20	30		CGEDRM
Cc1csc([N-]S(=O)(=O)C2CCCCC2)c1C#N	ZINC001259807987	807688501	/nfs/dbraw/zinc/68/85/01/807688501.db2.gz	RBRDRRRRIDZTQW-UHFFFAOYSA-N	-1	0	284.406	3.003	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)c1cccc(F)c1[O-]	ZINC001264247546	808054208	/nfs/dbraw/zinc/05/42/08/808054208.db2.gz	BMPPRCBORSBQIK-UHFFFAOYSA-N	-1	0	291.347	3.421	20	30		CGEDRM
N#Cc1cc(Nc2c(F)cccc2F)c([O-])cc1F	ZINC001173862503	808721743	/nfs/dbraw/zinc/72/17/43/808721743.db2.gz	WRLWGMNJXYUMTC-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
COc1ccc(F)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173956986	808785088	/nfs/dbraw/zinc/78/50/88/808785088.db2.gz	PEYFLFRLHAZNAO-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
CC(=O)Nc1ccccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173994817	808810168	/nfs/dbraw/zinc/81/01/68/808810168.db2.gz	AQJBFLLCIVAZRX-UHFFFAOYSA-N	-1	0	285.278	3.105	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1OC	ZINC001174676639	809127149	/nfs/dbraw/zinc/12/71/49/809127149.db2.gz	PNSWWIMGLOZEKV-UHFFFAOYSA-N	-1	0	297.314	3.050	20	30		CGEDRM
N#Cc1ncc(Nc2ccc(C(=O)[O-])s2)cc1Cl	ZINC001174807136	809167355	/nfs/dbraw/zinc/16/73/55/809167355.db2.gz	JDYXENWFQUQDRH-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])s2)cc1F	ZINC001174810398	809169276	/nfs/dbraw/zinc/16/92/76/809169276.db2.gz	MFWDINDIYPYVMY-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953687	809213521	/nfs/dbraw/zinc/21/35/21/809213521.db2.gz	XXPZGMVWVHIJBQ-UHFFFAOYSA-N	-1	0	266.300	3.123	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174952839	809213652	/nfs/dbraw/zinc/21/36/52/809213652.db2.gz	AGGJLQXTYSZSQL-UHFFFAOYSA-N	-1	0	251.285	3.039	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174954691	809214681	/nfs/dbraw/zinc/21/46/81/809214681.db2.gz	QPRCWZZKPUZPGH-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccsc1C#N	ZINC001174981964	809225024	/nfs/dbraw/zinc/22/50/24/809225024.db2.gz	SKUAUJJMINEIMP-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1C#N	ZINC001213384374	815274002	/nfs/dbraw/zinc/27/40/02/815274002.db2.gz	JDZSWAMZJUJVTC-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
COc1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1F	ZINC001175121205	809279350	/nfs/dbraw/zinc/27/93/50/809279350.db2.gz	MUJHLMYNFQOXAI-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001175157771	809291589	/nfs/dbraw/zinc/29/15/89/809291589.db2.gz	SGBCRYIMNDBJRA-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175219727	809311907	/nfs/dbraw/zinc/31/19/07/809311907.db2.gz	DTAROPXDPGUQBU-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2cc(C#N)ccc2OC)cc(C(=O)[O-])c1	ZINC001213594752	815308123	/nfs/dbraw/zinc/30/81/23/815308123.db2.gz	HGFQFTRZEZZNIW-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1cccc(Nc2csc(C(=O)[O-])c2)c1C#N	ZINC001176439652	809698419	/nfs/dbraw/zinc/69/84/19/809698419.db2.gz	WMPNNRYAFJYFMN-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2csc(C(=O)[O-])c2)c1	ZINC001176443878	809699137	/nfs/dbraw/zinc/69/91/37/809699137.db2.gz	UMOPDVUTIPPYRE-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176588887	809724801	/nfs/dbraw/zinc/72/48/01/809724801.db2.gz	JPCIWRPTZMTMAQ-FPYGCLRLSA-N	-1	0	299.717	3.448	20	30		CGEDRM
Cc1ccc(C(=O)Nc2ccc(CCC#N)cc2)c(O)c1	ZINC001178219430	809852345	/nfs/dbraw/zinc/85/23/45/809852345.db2.gz	GGWZIQVOUJVYMT-UHFFFAOYSA-N	-1	0	280.327	3.409	20	30		CGEDRM
C[C@@H]1C[C@@H](NC(=O)CCC(=O)C2=CC=C[CH]2)c2ccccc21	ZINC001184245964	810185019	/nfs/dbraw/zinc/18/50/19/810185019.db2.gz	FZSOJZLQUAJHHG-CXAGYDPISA-N	-1	0	294.374	3.401	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3ccnc(Cl)c3[O-])n2)c1	ZINC001214065673	815363295	/nfs/dbraw/zinc/36/32/95/815363295.db2.gz	GCDRISBBJQLHMX-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cc(C)no1	ZINC001187992497	810440222	/nfs/dbraw/zinc/44/02/22/810440222.db2.gz	MRPFRYYRWNLCRT-UHFFFAOYSA-N	-1	0	274.386	3.085	20	30		CGEDRM
N#Cc1cccc2c([N-]S(=O)(=O)c3ccoc3)cccc12	ZINC001188610212	810492980	/nfs/dbraw/zinc/49/29/80/810492980.db2.gz	MFXUWPGLEUCJIE-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)s1	ZINC001214273787	815393416	/nfs/dbraw/zinc/39/34/16/815393416.db2.gz	QYTWUGWGWNGNCK-UHFFFAOYSA-N	-1	0	288.328	3.460	20	30		CGEDRM
COc1cc(C#N)ccc1C(=O)Nc1ccccc1[S-]	ZINC001192263367	810783153	/nfs/dbraw/zinc/78/31/53/810783153.db2.gz	ANJWNYPHWIGXDJ-UHFFFAOYSA-N	-1	0	284.340	3.108	20	30		CGEDRM
N#Cc1cc(C(=O)N2CCC[C@H]2C2CCCCC2)ccc1[O-]	ZINC001193504399	810898737	/nfs/dbraw/zinc/89/87/37/810898737.db2.gz	RGPCUWYWSGXIBK-INIZCTEOSA-N	-1	0	298.386	3.449	20	30		CGEDRM
N#Cc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1[O-]	ZINC001193646539	810927830	/nfs/dbraw/zinc/92/78/30/810927830.db2.gz	LLILFNUDQRRCMF-MRXNPFEDSA-N	-1	0	298.386	3.449	20	30		CGEDRM
Cc1cc(C)c(NC(=O)c2cccc(C#N)c2[O-])cc1C	ZINC001193652312	810928737	/nfs/dbraw/zinc/92/87/37/810928737.db2.gz	DFLXKRFZPJHONW-UHFFFAOYSA-N	-1	0	280.327	3.441	20	30		CGEDRM
CCCCCCOC(=O)Nc1scc([O-])c1C#N	ZINC001194163881	811024712	/nfs/dbraw/zinc/02/47/12/811024712.db2.gz	YXLWYGYOJBLTFM-UHFFFAOYSA-N	-1	0	268.338	3.454	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2csc3cnccc23)c([O-])c1	ZINC001195733385	811283155	/nfs/dbraw/zinc/28/31/55/811283155.db2.gz	NAYSOFYVIFQJLG-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
CC(C)c1cccc(NC(=O)c2ccc(C#N)cc2[O-])n1	ZINC001195733211	811283304	/nfs/dbraw/zinc/28/33/04/811283304.db2.gz	DVGRPTBQUDDYJG-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
COc1cc(C)c(NC(=O)c2ccc(C#N)cc2[O-])cc1C	ZINC001195758263	811288032	/nfs/dbraw/zinc/28/80/32/811288032.db2.gz	LVYSCHDDZWWCBI-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
Cc1[n-]c(=O)nc(O[C@H](C)CC(C)(C)S)c1Cl	ZINC001227114195	817561818	/nfs/dbraw/zinc/56/18/18/817561818.db2.gz	YMFGXTLDYJGICK-ZCFIWIBFSA-N	-1	0	276.789	3.010	20	30		CGEDRM
N#Cc1ccc(Cl)cc1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215113519	815484416	/nfs/dbraw/zinc/48/44/16/815484416.db2.gz	CXJBUUNFLSXJOE-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
CC(C)(C#N)c1cccc(Nc2cc(C(=O)[O-])cnc2F)c1	ZINC001215129720	815486633	/nfs/dbraw/zinc/48/66/33/815486633.db2.gz	AQEOUADESYYRRM-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
Cc1ccccc1NC(=O)Nc1ccc(O)cc1C#N	ZINC001202185292	812033245	/nfs/dbraw/zinc/03/32/45/812033245.db2.gz	QNTFTXOINNQKCA-UHFFFAOYSA-N	-1	0	267.288	3.216	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001215274370	815501941	/nfs/dbraw/zinc/50/19/41/815501941.db2.gz	UFTVGMUHNZLQEY-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ncc(Nc2ccsc2C(=O)[O-])cc1Cl	ZINC001215389939	815514004	/nfs/dbraw/zinc/51/40/04/815514004.db2.gz	JYCNDIHIWKGUTQ-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001203299798	812301081	/nfs/dbraw/zinc/30/10/81/812301081.db2.gz	XZGVLTZLYYWRBR-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215463876	815521562	/nfs/dbraw/zinc/52/15/62/815521562.db2.gz	SVYGXNSOCXWYJB-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215613072	815547184	/nfs/dbraw/zinc/54/71/84/815547184.db2.gz	HGRYINWFDAURID-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1noc(Nc2ccc(C(=O)[O-])c(C)c2Cl)c1C#N	ZINC001215690551	815559695	/nfs/dbraw/zinc/55/96/95/815559695.db2.gz	VHFJQEDZINUZHN-UHFFFAOYSA-N	-1	0	291.694	3.258	20	30		CGEDRM
Cc1cc(F)cc(-c2ccsc2C(=O)[O-])c1C#N	ZINC001205578741	813011027	/nfs/dbraw/zinc/01/10/27/813011027.db2.gz	CZVQZSNRVCPKRX-UHFFFAOYSA-N	-1	0	261.277	3.433	20	30		CGEDRM
O=C([O-])c1sccc1-c1ccc2c(c1)CC/C2=N/O	ZINC001205610276	813023360	/nfs/dbraw/zinc/02/33/60/813023360.db2.gz	RXAQVZNVCVJMDC-QINSGFPZSA-N	-1	0	273.313	3.238	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc(F)c([O-])cc3F)ccc12	ZINC001206761576	813428066	/nfs/dbraw/zinc/42/80/66/813428066.db2.gz	NIVPHBXZOJVDBU-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001210119499	814297960	/nfs/dbraw/zinc/29/79/60/814297960.db2.gz	PRDZIOKGUDZSTH-UHFFFAOYSA-N	-1	0	252.248	3.128	20	30		CGEDRM
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])nc2)c1C#N	ZINC001210177096	814321411	/nfs/dbraw/zinc/32/14/11/814321411.db2.gz	NWFLFTOSVREVIK-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc([N-]c2nnc(C(C)(C)C)o2)c(C#N)c1	ZINC001210566322	814531728	/nfs/dbraw/zinc/53/17/28/814531728.db2.gz	ZWTFMRDSZLKBLQ-UHFFFAOYSA-N	-1	0	256.309	3.291	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)cc1[N+](=O)[O-]	ZINC001210952657	814689863	/nfs/dbraw/zinc/68/98/63/814689863.db2.gz	OIAHFMUROIAHNK-UHFFFAOYSA-N	-1	0	279.252	3.116	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1ccccc1C(=O)[O-]	ZINC001210965650	814694118	/nfs/dbraw/zinc/69/41/18/814694118.db2.gz	UQRYAVQTSQJPQI-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1ncc(Nc2ccccc2C(=O)[O-])cc1Cl	ZINC001210966065	814694215	/nfs/dbraw/zinc/69/42/15/814694215.db2.gz	GJFFNHIVMPLRJF-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
Cc1oc(Nc2ccccc2C(=O)[O-])c(C#N)c1C	ZINC001210969040	814696362	/nfs/dbraw/zinc/69/63/62/814696362.db2.gz	FPOZSWNSOVLYSK-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
COc1c(Nc2ccc(F)c(C#N)c2)cccc1C(=O)[O-]	ZINC001211037253	814714460	/nfs/dbraw/zinc/71/44/60/814714460.db2.gz	RYVJTJHGJBWPSP-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(Nc2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001211542907	814904565	/nfs/dbraw/zinc/90/45/65/814904565.db2.gz	SKGUOXGMQIEUEV-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2C)cnc1C#N	ZINC001211620693	814918985	/nfs/dbraw/zinc/91/89/85/814918985.db2.gz	BBBZRFPHLDLCBR-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])cc1C	ZINC001211624346	814920774	/nfs/dbraw/zinc/92/07/74/814920774.db2.gz	CVNBXSRZRKUOJU-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
N#Cc1ccc(F)c(-c2noc(-c3ccc(F)cc3[O-])n2)c1	ZINC001215931809	815634358	/nfs/dbraw/zinc/63/43/58/815634358.db2.gz	JMWNRMPJMAPGQC-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1C#N	ZINC001216076364	815682614	/nfs/dbraw/zinc/68/26/14/815682614.db2.gz	VJNFRTWXOIKIBD-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cnn2C(C)C)cc(C)c1C(=O)[O-]	ZINC001216310546	815775541	/nfs/dbraw/zinc/77/55/41/815775541.db2.gz	ZENDEDFXLPFCGW-UHFFFAOYSA-N	-1	0	298.346	3.394	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216311333	815775877	/nfs/dbraw/zinc/77/58/77/815775877.db2.gz	HFAZLVAGDUESPY-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
N#Cc1ccnnc1-c1cc(Cl)c([O-])c(Cl)c1	ZINC001242848632	823152026	/nfs/dbraw/zinc/15/20/26/823152026.db2.gz	DHNUESKPFCNFBB-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
Cc1c(Nc2c(O)cccc2C#N)cccc1C(=O)[O-]	ZINC001216661383	815888960	/nfs/dbraw/zinc/88/89/60/815888960.db2.gz	GYDNDLCWJZSBSB-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3cccc(F)c3F)no2)ccc1[O-]	ZINC001216969760	815903888	/nfs/dbraw/zinc/90/38/88/815903888.db2.gz	QGCRDAXJBVJCKZ-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
Cc1c(F)cccc1-c1noc(-c2ccc([O-])c(C#N)c2)n1	ZINC001216969992	815904108	/nfs/dbraw/zinc/90/41/08/815904108.db2.gz	WKTMXHMKLWOBDH-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3ccc(F)cc3F)no2)c([O-])c1	ZINC001217039803	815907511	/nfs/dbraw/zinc/90/75/11/815907511.db2.gz	NWPRVYMWLWUUTM-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2ccccc2C(=O)[O-])[nH]1	ZINC001242877988	823162103	/nfs/dbraw/zinc/16/21/03/823162103.db2.gz	PPHPHDZEFNHYJX-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#Cc1cccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1	ZINC001222585229	816472456	/nfs/dbraw/zinc/47/24/56/816472456.db2.gz	BIDZLSGMZZHKAN-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
O=C([O-])C1(c2ccc(-c3cccc(/C=N/O)c3)cc2)CC1	ZINC001222690896	816500090	/nfs/dbraw/zinc/50/00/90/816500090.db2.gz	YZDJLOGMTCHSAA-WOJGMQOQSA-N	-1	0	281.311	3.278	20	30		CGEDRM
COc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001222690823	816500118	/nfs/dbraw/zinc/50/01/18/816500118.db2.gz	VWMRYPMLDDHBJB-UHFFFAOYSA-N	-1	0	293.322	3.350	20	30		CGEDRM
CCCC[C@@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223892791	816698543	/nfs/dbraw/zinc/69/85/43/816698543.db2.gz	MSYZMAPPGNQJFD-YZSSSTSJSA-N	-1	0	281.352	3.435	20	30		CGEDRM
C#C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001225491504	817073505	/nfs/dbraw/zinc/07/35/05/817073505.db2.gz	PONIFIXMIFYFRR-AWEZNQCLSA-N	-1	0	269.256	3.054	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)ncc1F)c1ccccc1	ZINC001225885984	817207021	/nfs/dbraw/zinc/20/70/21/817207021.db2.gz	RUAAAWKAAVZNBH-GFCCVEGCSA-N	-1	0	260.268	3.018	20	30		CGEDRM
CC[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013868	817249053	/nfs/dbraw/zinc/24/90/53/817249053.db2.gz	SBHAJCQREFQEHE-CABZTGNLSA-N	-1	0	264.300	3.146	20	30		CGEDRM
N#Cc1c(O[C@H]2C=CCCC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226063148	817262244	/nfs/dbraw/zinc/26/22/44/817262244.db2.gz	CUDANMUYVOVRKV-QMMMGPOBSA-N	-1	0	284.237	3.165	20	30		CGEDRM
C#C[C@H](CCCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068555	817263959	/nfs/dbraw/zinc/26/39/59/817263959.db2.gz	QXTAFMDJKLBGOJ-SECBINFHSA-N	-1	0	298.264	3.248	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](c2ccccc2)C2CC2)c1C#N	ZINC001226222375	817301764	/nfs/dbraw/zinc/30/17/64/817301764.db2.gz	ZEWMVTNJHAYVNV-MRXNPFEDSA-N	-1	0	280.327	3.497	20	30		CGEDRM
C=C(C)C[C@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)C(=C)C	ZINC001226347944	817333242	/nfs/dbraw/zinc/33/32/42/817333242.db2.gz	XHGLDLZBKQFELR-VIFPVBQESA-N	-1	0	288.269	3.491	20	30		CGEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226550128	817393505	/nfs/dbraw/zinc/39/35/05/817393505.db2.gz	MKELSGSDJGWDQD-UHFFFAOYSA-N	-1	0	291.738	3.283	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)C(C)C	ZINC001226553098	817395924	/nfs/dbraw/zinc/39/59/24/817395924.db2.gz	HDGCNJLPMRNUSV-SNVBAGLBSA-N	-1	0	293.754	3.363	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1[n-]c(=O)nc2cnncc21	ZINC001226690755	817435433	/nfs/dbraw/zinc/43/54/33/817435433.db2.gz	ICMYHGPVBDZGNT-LLVKDONJSA-N	-1	0	288.351	3.029	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ncnc3cc(C#N)ccc32)c1	ZINC001243176760	823274108	/nfs/dbraw/zinc/27/41/08/823274108.db2.gz	CIYHKPHTEQXNSV-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1	ZINC001227270137	817614271	/nfs/dbraw/zinc/61/42/71/817614271.db2.gz	CYPKOUVPEXLISR-CYBMUJFWSA-N	-1	0	281.315	3.360	20	30		CGEDRM
C#C[C@@H](CCCCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601752	817678859	/nfs/dbraw/zinc/67/88/59/817678859.db2.gz	GCLWTJRJNDJBFH-QMMMGPOBSA-N	-1	0	289.162	3.450	20	30		CGEDRM
C=C(C)C[C@@H](Oc1ccc(O)c(C#N)c1C#N)C(=C)C	ZINC001227623485	817686289	/nfs/dbraw/zinc/68/62/89/817686289.db2.gz	RZBUWAZKTDMTKF-MRXNPFEDSA-N	-1	0	268.316	3.425	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C)c(C(=O)[O-])c1	ZINC001243195532	823285415	/nfs/dbraw/zinc/28/54/15/823285415.db2.gz	QNDPPVWDBACESP-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(C)c(C(=O)[O-])c1	ZINC001243199942	823287263	/nfs/dbraw/zinc/28/72/63/823287263.db2.gz	YXNNUHUYGQVIIR-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1cc(-c2cc(C3(C#N)CC3)ccn2)ccc1C(=O)[O-]	ZINC001243214969	823296167	/nfs/dbraw/zinc/29/61/67/823296167.db2.gz	XOPBBZJMVAJXCC-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
C[C@H](C#N)N(C)Cc1ccccc1-c1ccccc1C(=O)[O-]	ZINC001231680499	818157067	/nfs/dbraw/zinc/15/70/67/818157067.db2.gz	CFKNDVUWTHIFRG-CYBMUJFWSA-N	-1	0	294.354	3.396	20	30		CGEDRM
C[C@]1(C#N)CCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232629675	818405775	/nfs/dbraw/zinc/40/57/75/818405775.db2.gz	VZHUXVGQQRONQL-CYBMUJFWSA-N	-1	0	285.174	3.435	20	30		CGEDRM
C[N@H+](Cc1ccc(F)cc1F)Cc1cc(C#N)ccc1[O-]	ZINC001232678065	818417703	/nfs/dbraw/zinc/41/77/03/818417703.db2.gz	PEKFJEDLDDIDGO-UHFFFAOYSA-N	-1	0	288.297	3.174	20	30		CGEDRM
COc1ccc(CN2CCC[C@@H](CC#N)C2)c(Cl)c1O	ZINC001233400337	818610424	/nfs/dbraw/zinc/61/04/24/818610424.db2.gz	DVSVHHWGFZUOJT-NSHDSACASA-N	-1	0	294.782	3.180	20	30		CGEDRM
CC#CC[C@@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835503	818716451	/nfs/dbraw/zinc/71/64/51/818716451.db2.gz	ZMCRRRSRRHOPII-GFCCVEGCSA-N	-1	0	272.300	3.069	20	30		CGEDRM
C[C@@H](Oc1ccc(-c2cccc(C#N)c2)nn1)C1=CC=C[CH]1	ZINC001233944360	818737401	/nfs/dbraw/zinc/73/74/01/818737401.db2.gz	XGUGVNMJZHTJRZ-CYBMUJFWSA-N	-1	0	288.330	3.483	20	30		CGEDRM
C=C(C)C[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(=C)C	ZINC001234335029	818838736	/nfs/dbraw/zinc/83/87/36/818838736.db2.gz	JOYNBCOOQIFSGI-AWEZNQCLSA-N	-1	0	298.275	3.448	20	30		CGEDRM
CCOc1cc(-c2cc(/C=N/[O-])ccc2F)c(F)cn1	ZINC001235876062	819192610	/nfs/dbraw/zinc/19/26/10/819192610.db2.gz	OXDSAYJDZQPIGK-CNHKJKLMSA-N	-1	0	278.258	3.234	20	30		CGEDRM
Cc1cc(-c2c(F)cc(F)c([O-])c2F)ncc1C#N	ZINC001235986164	819261290	/nfs/dbraw/zinc/26/12/90/819261290.db2.gz	RVIKFBRLKWXAHR-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1c(Cl)c(-c2cnc(F)c(C#N)c2)ccc1C(=O)[O-]	ZINC001236128373	819333694	/nfs/dbraw/zinc/33/36/94/819333694.db2.gz	MHJSQMWSWSPYSE-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236141651	819342813	/nfs/dbraw/zinc/34/28/13/819342813.db2.gz	AUNOANMHBVLRIF-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(F)cc(F)c1[O-]	ZINC001243503169	823421447	/nfs/dbraw/zinc/42/14/47/823421447.db2.gz	CFUPOQQPGDZXIP-UHFFFAOYSA-N	-1	0	271.226	3.037	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc(F)cc(F)c2[O-])c1	ZINC001243506043	823424101	/nfs/dbraw/zinc/42/41/01/823424101.db2.gz	WMJRLRYKIGMUFY-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
N#C[C@@H]1CCCCN1Cc1cc(F)c([O-])c(Cl)c1	ZINC001237997774	819907906	/nfs/dbraw/zinc/90/79/06/819907906.db2.gz	PBYUWKGQYKMUBQ-JTQLQIEISA-N	-1	0	268.719	3.063	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(Cl)c([O-])c1	ZINC001243584166	823455404	/nfs/dbraw/zinc/45/54/04/823455404.db2.gz	RVSKOKXKOGINKM-UHFFFAOYSA-N	-1	0	269.691	3.412	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239332460	820277068	/nfs/dbraw/zinc/27/70/68/820277068.db2.gz	NPZWYVYPXLQGGB-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#CCc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1C#N	ZINC001240549295	821135670	/nfs/dbraw/zinc/13/56/70/821135670.db2.gz	AAGQMPRHGREWQK-QPJJXVBHSA-N	-1	0	288.306	3.389	20	30		CGEDRM
COc1cc(-c2cc(C#N)cc3[nH]ccc32)ccc1C(=O)[O-]	ZINC001240745724	821296326	/nfs/dbraw/zinc/29/63/26/821296326.db2.gz	IATOTWBXGWJJEF-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#Cc1c(-c2ccc(C(=O)[O-])s2)nccc1C(F)(F)F	ZINC001240844839	821364744	/nfs/dbraw/zinc/36/47/44/821364744.db2.gz	XVRZUFPUFFMQPD-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1cc(F)cc(-c2ccc(C(=O)[O-])s2)c1C#N	ZINC001240847499	821368774	/nfs/dbraw/zinc/36/87/74/821368774.db2.gz	CYXXLYYEAGTIDU-UHFFFAOYSA-N	-1	0	261.277	3.433	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(CC(=O)[O-])cc3)ccc12	ZINC001240975588	821459459	/nfs/dbraw/zinc/45/94/59/821459459.db2.gz	SHQXHTNHRSUYSO-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
N#Cc1nccc2cc(-c3ccc(CC(=O)[O-])cc3)ccc12	ZINC001240976637	821460381	/nfs/dbraw/zinc/46/03/81/821460381.db2.gz	UQTZQFCVGZEPST-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
C=CCOc1ccc(-c2cc(C(=O)[O-])ccc2C)nc1C#N	ZINC001241000312	821478235	/nfs/dbraw/zinc/47/82/35/821478235.db2.gz	AAULVZAVDMXFGS-UHFFFAOYSA-N	-1	0	294.310	3.192	20	30		CGEDRM
COc1ccc(F)c(-c2ccccc2C=N[O-])c1F	ZINC001241142965	821596773	/nfs/dbraw/zinc/59/67/73/821596773.db2.gz	JUAOKACCWPSNGX-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
N#CCc1ccccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241245211	821666759	/nfs/dbraw/zinc/66/67/59/821666759.db2.gz	ISALTISFPLTXGS-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(F)c(C(=O)[O-])c3)c2)CC1	ZINC001241245508	821667265	/nfs/dbraw/zinc/66/72/65/821667265.db2.gz	RLXBBRFEDRYPCF-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)c(F)c1	ZINC001241245035	821667331	/nfs/dbraw/zinc/66/73/31/821667331.db2.gz	DPFDJTZCJKKRPT-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1F	ZINC001241248165	821670277	/nfs/dbraw/zinc/67/02/77/821670277.db2.gz	ZAVPQXDCLGNCNB-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
N#CCc1ccncc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241349450	821752752	/nfs/dbraw/zinc/75/27/52/821752752.db2.gz	DLJIYEHIAKKBRL-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1cccc(C(=O)[O-])c1	ZINC001241358805	821760108	/nfs/dbraw/zinc/76/01/08/821760108.db2.gz	JWILAWRANMIRLD-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
CO/N=C/c1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1F	ZINC001241836959	822172576	/nfs/dbraw/zinc/17/25/76/822172576.db2.gz	HMOJERNURALXEB-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
COc1cc(C#N)cnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242131496	822888689	/nfs/dbraw/zinc/88/86/89/822888689.db2.gz	LYSMFZMLDBAWJW-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cc(C(=O)[O-])cc(F)c2C)n1	ZINC001242204120	822908788	/nfs/dbraw/zinc/90/87/88/822908788.db2.gz	FTUPYQZZXBPYQJ-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(F)cc2[O-])nc1C#N	ZINC001242217021	822914028	/nfs/dbraw/zinc/91/40/28/822914028.db2.gz	HUUHPMUCXXXVQB-UHFFFAOYSA-N	-1	0	270.263	3.030	20	30		CGEDRM
COc1ccc(-c2cccc(CC(=O)[O-])c2)cc1CC#N	ZINC001242261712	822929481	/nfs/dbraw/zinc/92/94/81/822929481.db2.gz	CCPVQLOFLKMISO-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
CC[C@@H](C#N)c1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242336897	822954530	/nfs/dbraw/zinc/95/45/30/822954530.db2.gz	NZXZLIUHAUCXJM-NSHDSACASA-N	-1	0	266.300	3.464	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cccc(F)c1[O-]	ZINC001242349601	822960606	/nfs/dbraw/zinc/96/06/06/822960606.db2.gz	OHTYYBGLGIIQJJ-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3cccc(C(=O)[O-])c3F)cc12	ZINC001242380729	822974870	/nfs/dbraw/zinc/97/48/70/822974870.db2.gz	UWWUWLGUSRIKDA-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cccc(C(=O)[O-])c1F	ZINC001242380409	822975082	/nfs/dbraw/zinc/97/50/82/822975082.db2.gz	KVCAEYZEQXHJIB-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cc(C(C)C)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242564081	823034295	/nfs/dbraw/zinc/03/42/95/823034295.db2.gz	ZTGKBKXTUNUFFC-UHFFFAOYSA-N	-1	0	253.305	3.153	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cccc(F)c2)cc1	ZINC000205702916	928405813	/nfs/dbraw/zinc/40/58/13/928405813.db2.gz	VHASFGQCCMCULN-TWGQIWQCSA-N	-1	0	270.259	3.420	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C	ZINC001452774338	937398465	/nfs/dbraw/zinc/39/84/65/937398465.db2.gz	IOTMBKQNKBFAAJ-AWEZNQCLSA-N	-1	0	297.782	3.367	20	30		CGEDRM
CCCCN(O)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001161832984	931986387	/nfs/dbraw/zinc/98/63/87/931986387.db2.gz	WAYUMAGYJJTVPV-UHFFFAOYSA-N	-1	0	278.135	3.331	20	30		CGEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228901524	932048305	/nfs/dbraw/zinc/04/83/05/932048305.db2.gz	MDORLJRDBJKRPO-NSHDSACASA-N	-1	0	254.289	3.107	20	30		CGEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230666534	932605116	/nfs/dbraw/zinc/60/51/16/932605116.db2.gz	MIGSQEITRDBFTN-MRVPVSSYSA-N	-1	0	256.261	3.035	20	30		CGEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231075126	932673383	/nfs/dbraw/zinc/67/33/83/932673383.db2.gz	XBWYCMLSFSYUKP-SECBINFHSA-N	-1	0	262.284	3.208	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1cc(F)cc(F)c1[O-]	ZINC001470453976	937753389	/nfs/dbraw/zinc/75/33/89/937753389.db2.gz	VQNYDFKFXRNHCJ-UHFFFAOYSA-N	-1	0	269.291	3.003	20	30		CGEDRM
CCON=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1	ZINC001322565805	934316323	/nfs/dbraw/zinc/31/63/23/934316323.db2.gz	PIRYMRMNYOEYSL-UHFFFAOYSA-N	-1	0	299.326	3.334	20	30		CGEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NOC(C)(C)C	ZINC001324475877	934512026	/nfs/dbraw/zinc/51/20/26/934512026.db2.gz	OQRDEBYWPMKSGP-UHFFFAOYSA-N	-1	0	293.363	3.274	20	30		CGEDRM
CC[C@@H](NN=Cc1ccc(-c2ccccc2)s1)C(=O)[O-]	ZINC001326113747	934951799	/nfs/dbraw/zinc/95/17/99/934951799.db2.gz	ZTVKYPCZQNWORX-CYBMUJFWSA-N	-1	0	288.372	3.202	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)c2ccc(C(=O)[O-])o2)CCCC1(C)C	ZINC001327893801	935095874	/nfs/dbraw/zinc/09/58/74/935095874.db2.gz	YVGNIRMEHQSCQJ-ZDUSSCGKSA-N	-1	0	291.347	3.185	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1s[n-]c(=O)c1Cl	ZINC001336216284	936181116	/nfs/dbraw/zinc/18/11/16/936181116.db2.gz	GRZQEJVTUPBREG-MRVPVSSYSA-N	-1	0	286.784	3.073	20	30		CGEDRM
C#CCC1(C(=O)Nc2ccccc2CC(=O)[O-])CCCCC1	ZINC001602674948	971244636	/nfs/dbraw/zinc/24/46/36/971244636.db2.gz	GPQXYYFJGVHZDK-UHFFFAOYSA-N	-1	0	299.370	3.226	20	30		CGEDRM
N#Cc1cccc2c1CCCN2Cc1cccc(C(=O)[O-])c1	ZINC001594628948	956338726	/nfs/dbraw/zinc/33/87/26/956338726.db2.gz	YKSZHRWTLRIRLX-UHFFFAOYSA-N	-1	0	292.338	3.209	20	30		CGEDRM
Cc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1	ZINC000013344135	957029235	/nfs/dbraw/zinc/02/92/35/957029235.db2.gz	UZVWWRUBQJZHPL-BJMVGYQFSA-N	-1	0	296.322	3.355	20	30		CGEDRM
C=C(Br)CN1CCCc2c(C(=O)[O-])cccc21	ZINC000037681885	957319832	/nfs/dbraw/zinc/31/98/32/957319832.db2.gz	KWELEZMFADVNAR-UHFFFAOYSA-N	-1	0	296.164	3.046	20	30		CGEDRM
N#Cc1cc(Nc2ccnc(Cl)c2[O-])ccc1F	ZINC001176614676	957883249	/nfs/dbraw/zinc/88/32/49/957883249.db2.gz	SYZRUJXTVAOEIG-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
CCCCCCCC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC000104418188	958366763	/nfs/dbraw/zinc/36/67/63/958366763.db2.gz	DWPPDXWHTYKKPI-UHFFFAOYSA-N	-1	0	264.325	3.079	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000113651093	958448519	/nfs/dbraw/zinc/44/85/19/958448519.db2.gz	MDKCZEQQJFJZGM-CHWSQXEVSA-N	-1	0	269.385	3.107	20	30		CGEDRM
C=CCSc1ccccc1C(=O)OC[C@H](CC)C(=O)[O-]	ZINC001588879834	960490755	/nfs/dbraw/zinc/49/07/55/960490755.db2.gz	SALFMICXKRMWFZ-NSHDSACASA-N	-1	0	294.372	3.232	20	30		CGEDRM
CC#CCCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001602947437	960550750	/nfs/dbraw/zinc/55/07/50/960550750.db2.gz	WYUWAWQKQSETJH-UHFFFAOYSA-N	-1	0	297.713	3.309	20	30		CGEDRM
C[C@H](CC(C)(C)C#N)Nc1cccc(CCC(=O)[O-])c1	ZINC001573574708	962263635	/nfs/dbraw/zinc/26/36/35/962263635.db2.gz	QYZLKHFKBOKVBH-GFCCVEGCSA-N	-1	0	274.364	3.444	20	30		CGEDRM
C#CCCCCCCN1CCc2ccc(C(=O)[O-])cc21	ZINC001573301856	962638474	/nfs/dbraw/zinc/63/84/74/962638474.db2.gz	KTXBWFFLVHIXRW-UHFFFAOYSA-N	-1	0	271.360	3.331	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1	ZINC001573312595	962725014	/nfs/dbraw/zinc/72/50/14/962725014.db2.gz	XFSGEFKMQKEKKQ-UHFFFAOYSA-N	-1	0	293.322	3.235	20	30		CGEDRM
C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1CC2CCC1CC2	ZINC001583397241	962805560	/nfs/dbraw/zinc/80/55/60/962805560.db2.gz	HVOOESIXSIWTDM-NEQJSVFRSA-N	-1	0	298.386	3.208	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588450617	963270257	/nfs/dbraw/zinc/27/02/57/963270257.db2.gz	VEWYBXCZJBVZLK-UHFFFAOYSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001588383671	963272650	/nfs/dbraw/zinc/27/26/50/963272650.db2.gz	GZCATEYMMMJOLW-UHFFFAOYSA-N	-1	0	297.713	3.165	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(=O)[O-]	ZINC001588470497	963278285	/nfs/dbraw/zinc/27/82/85/963278285.db2.gz	PGDAAFQFJBMUEU-NSHDSACASA-N	-1	0	290.363	3.133	20	30		CGEDRM
C=C(C)CCC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1	ZINC001588555027	963283357	/nfs/dbraw/zinc/28/33/57/963283357.db2.gz	XKYXYJYYMJUHBI-HNNXBMFYSA-N	-1	0	289.375	3.407	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Oc1cc(C(=O)[O-])ccc1C	ZINC001588534894	963285669	/nfs/dbraw/zinc/28/56/69/963285669.db2.gz	CUJJHAZCOCQHDT-NSHDSACASA-N	-1	0	262.305	3.201	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC001588537217	963286962	/nfs/dbraw/zinc/28/69/62/963286962.db2.gz	ZQNIRSOKVVXHDM-SECBINFHSA-N	-1	0	293.388	3.476	20	30		CGEDRM
C=C(C)CCc1noc(C23CCC(C(=O)[O-])(CC2)CC3)n1	ZINC001588561578	963286999	/nfs/dbraw/zinc/28/69/99/963286999.db2.gz	NQWCJPUVJILMQF-UHFFFAOYSA-N	-1	0	290.363	3.255	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001588562662	963287314	/nfs/dbraw/zinc/28/73/14/963287314.db2.gz	DLZBRTFQRWZIBA-UHFFFAOYSA-N	-1	0	282.365	3.185	20	30		CGEDRM
C=C(C)CCC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21	ZINC001588555071	963287812	/nfs/dbraw/zinc/28/78/12/963287812.db2.gz	YJEDHOHTSJKAIM-UHFFFAOYSA-N	-1	0	287.359	3.329	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CCC1CCCCCC1)C(=O)[O-]	ZINC001588540313	963288047	/nfs/dbraw/zinc/28/80/47/963288047.db2.gz	CWOIMHZQVCEXDV-AWEZNQCLSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(Cl)c1C	ZINC001588633112	963291912	/nfs/dbraw/zinc/29/19/12/963291912.db2.gz	BGSKGDVHOYBSKO-UHFFFAOYSA-N	-1	0	267.712	3.008	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1F)C(C)C	ZINC001588621255	963292426	/nfs/dbraw/zinc/29/24/26/963292426.db2.gz	BPYRYXHPOSVJFB-HNNXBMFYSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC001588606331	963294852	/nfs/dbraw/zinc/29/48/52/963294852.db2.gz	XHWGZHOVDXHOHM-HIFRSBDPSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C(Cl)CN[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F	ZINC001588643880	963298224	/nfs/dbraw/zinc/29/82/24/963298224.db2.gz	WAYKSNJERZDGHE-JTQLQIEISA-N	-1	0	293.672	3.330	20	30		CGEDRM
C=CC(C)(C)CC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC001588673499	963301207	/nfs/dbraw/zinc/30/12/07/963301207.db2.gz	ZYMZKFGXGNJBRY-AWEZNQCLSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C	ZINC001588713077	963302381	/nfs/dbraw/zinc/30/23/81/963302381.db2.gz	QMELXBIMHIPFAJ-GFCCVEGCSA-N	-1	0	262.305	3.142	20	30		CGEDRM
C=C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC001588712259	963302561	/nfs/dbraw/zinc/30/25/61/963302561.db2.gz	UVGXRAJEXJWLSH-ZNMIVQPWSA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-]	ZINC001588714356	963307381	/nfs/dbraw/zinc/30/73/81/963307381.db2.gz	GACLVPPUPGHCSO-VIFPVBQESA-N	-1	0	296.735	3.121	20	30		CGEDRM
C=CC[C@H](Nc1cccc(NC(=O)CCC)c1C)C(=O)[O-]	ZINC001588751102	963310532	/nfs/dbraw/zinc/31/05/32/963310532.db2.gz	KGCPTNVQGSSVFH-AWEZNQCLSA-N	-1	0	290.363	3.175	20	30		CGEDRM
C=CCC1(C(=O)Nc2cccc(C(=O)[O-])n2)CCCCC1	ZINC001588764959	963311314	/nfs/dbraw/zinc/31/13/14/963311314.db2.gz	MYOBPAXHYYHDGL-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C=CC[C@@H](C(=O)OC1CC(CC(=O)[O-])C1)c1ccccc1	ZINC001588731879	963311451	/nfs/dbraw/zinc/31/14/51/963311451.db2.gz	PMYUSIHFAJVWLA-PESDSKBTSA-N	-1	0	288.343	3.143	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC001588789489	963314599	/nfs/dbraw/zinc/31/45/99/963314599.db2.gz	CPBDYNCMAYSRLJ-AWEZNQCLSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC001588789654	963316303	/nfs/dbraw/zinc/31/63/03/963316303.db2.gz	HIMYUSOCYWGXFN-MJBXVCDLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC001588790533	963318771	/nfs/dbraw/zinc/31/87/71/963318771.db2.gz	YNDZRTXBNWPTTE-IHRRRGAJSA-N	-1	0	293.407	3.151	20	30		CGEDRM
C=CCCCCCCCNc1nccc(C(=O)[O-])n1	ZINC001588798821	963323762	/nfs/dbraw/zinc/32/37/62/963323762.db2.gz	RXNDLRVJXOBODA-UHFFFAOYSA-N	-1	0	263.341	3.113	20	30		CGEDRM
CCCCCCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000314565061	963770188	/nfs/dbraw/zinc/77/01/88/963770188.db2.gz	FEJWZWBNUUOGKI-UHFFFAOYSA-N	-1	0	295.339	3.460	20	30		CGEDRM
C[C@@H](C(=O)[O-])c1cccc(NCc2ccc(C#N)s2)c1	ZINC001589532000	963996692	/nfs/dbraw/zinc/99/66/92/963996692.db2.gz	MXRJWZRUXHMVCN-SNVBAGLBSA-N	-1	0	286.356	3.420	20	30		CGEDRM
CCN(Cc1cccc(C(=O)[O-])c1Cl)C[C@H](C)C#N	ZINC000394606512	972721491	/nfs/dbraw/zinc/72/14/91/972721491.db2.gz	ZFTNQRVFDJPAER-SNVBAGLBSA-N	-1	0	280.755	3.020	20	30		CGEDRM
N#Cc1cc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cs1	ZINC001605591821	973889194	/nfs/dbraw/zinc/88/91/94/973889194.db2.gz	BBUAWVIBPQQTBM-CQSZACIVSA-N	-1	0	298.367	3.198	20	30		CGEDRM
N#Cc1ccc(NC(=O)CCCCC(=O)[O-])c(C2CC2)c1	ZINC001605612014	973922698	/nfs/dbraw/zinc/92/26/98/973922698.db2.gz	DTNBGHDGWWQEOM-UHFFFAOYSA-N	-1	0	286.331	3.019	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001603641192	973989464	/nfs/dbraw/zinc/98/94/64/973989464.db2.gz	VXIIZEZWUJIFOM-LSDHHAIUSA-N	-1	0	295.423	3.306	20	30		CGEDRM
CC[C@H]1CCC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001595436166	981068104	/nfs/dbraw/zinc/06/81/04/981068104.db2.gz	PJHGSMULLIQYQW-QWRGUYRKSA-N	-1	0	273.336	3.032	20	30		CGEDRM
CCCCC[C@H](Nc1snc(Cl)c1C#N)C(=O)[O-]	ZINC001595687370	982179470	/nfs/dbraw/zinc/17/94/70/982179470.db2.gz	PTROSNOWTGCHCI-QMMMGPOBSA-N	-1	0	287.772	3.114	20	30		CGEDRM
CCCCCCCCCCC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001595705250	982283670	/nfs/dbraw/zinc/28/36/70/982283670.db2.gz	SOAHHQYUYAFCQB-FOLVSLTJSA-N	-1	0	295.423	3.306	20	30		CGEDRM
CCON=C(C)c1cnc2sc(C(=O)[O-])c(C)c2c1	ZINC001596968224	986181987	/nfs/dbraw/zinc/18/19/87/986181987.db2.gz	GKLPQMUWBVLDNG-UHFFFAOYSA-N	-1	0	278.333	3.063	20	30		CGEDRM
CCc1cc(C(=O)[O-])ccc1NC(=O)CCCCCC#N	ZINC001597450629	987841422	/nfs/dbraw/zinc/84/14/22/987841422.db2.gz	ZPGFLHOSZMRXOV-UHFFFAOYSA-N	-1	0	288.347	3.360	20	30		CGEDRM
CC(C)(CNc1cccc(C(F)F)c1C#N)CC(=O)[O-]	ZINC001590780259	990594028	/nfs/dbraw/zinc/59/40/28/990594028.db2.gz	ZAJIKDZVEADLQG-UHFFFAOYSA-N	-1	0	282.290	3.409	20	30		CGEDRM
CN(C)c1ccc(OCCCC(C)(C)C#N)cc1C(=O)[O-]	ZINC001598328052	991346940	/nfs/dbraw/zinc/34/69/40/991346940.db2.gz	CNONLMPOYJFUHR-UHFFFAOYSA-N	-1	0	290.363	3.160	20	30		CGEDRM
C[C@@H](Sc1ccc(C#N)cc1)c1nc(C(=O)[O-])co1	ZINC001593664422	996051854	/nfs/dbraw/zinc/05/18/54/996051854.db2.gz	SASBEOGZBJFHQD-MRVPVSSYSA-N	-1	0	274.301	3.098	20	30		CGEDRM
COc1cc(CNc2cc(C)cc(C(=O)[O-])c2)ccc1C#N	ZINC001599418090	997545664	/nfs/dbraw/zinc/54/56/64/997545664.db2.gz	CAJWSZAVYZFMET-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
N#Cc1ccc(NCCCCC(=O)[O-])c(C(F)(F)F)c1	ZINC000591326977	346915637	/nfs/dbraw/zinc/91/56/37/346915637.db2.gz	UHGWPTIKWMJNAR-UHFFFAOYSA-N	-1	0	286.253	3.244	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000591862029	346943120	/nfs/dbraw/zinc/94/31/20/346943120.db2.gz	KARLXZPRFQFQHZ-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000089288045	345768113	/nfs/dbraw/zinc/76/81/13/345768113.db2.gz	ACHFXTRQZUGVCS-YNEHKIRRSA-N	-1	0	285.409	3.065	20	30		CGEDRM
Cc1[n-]n(-c2cccc3c2CCCC3)c(=O)c1CCC#N	ZINC000601936929	347926683	/nfs/dbraw/zinc/92/66/83/347926683.db2.gz	DWFVIDLZDOKIAA-AWEZNQCLSA-N	-1	0	281.359	3.208	20	30		CGEDRM
C[C@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c2C1	ZINC000601950022	347928402	/nfs/dbraw/zinc/92/84/02/347928402.db2.gz	SKZUTYZLFMFEAU-JOYOIKCWSA-N	-1	0	287.750	3.350	20	30		CGEDRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1	ZINC000601983840	347931457	/nfs/dbraw/zinc/93/14/57/347931457.db2.gz	PICLEWLFFZXNRF-MRXNPFEDSA-N	-1	0	288.347	3.024	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCCCc3sccc32)cc1[O-]	ZINC000619557748	349259362	/nfs/dbraw/zinc/25/93/62/349259362.db2.gz	WSIYKHRTNNLYKK-UHFFFAOYSA-N	-1	0	298.367	3.308	20	30		CGEDRM
N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc(C2CC2)cs1	ZINC000626466767	350309933	/nfs/dbraw/zinc/30/99/33/350309933.db2.gz	PHAZHLQHRPTSHU-LBPRGKRZSA-N	-1	0	298.371	3.042	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630203726	350817358	/nfs/dbraw/zinc/81/73/58/350817358.db2.gz	DMHLZFNSWKYDGY-NWDGAFQWSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=CCC[C@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000630296484	350822161	/nfs/dbraw/zinc/82/21/61/350822161.db2.gz	DNJVIAWOSWRNMP-ZFWWWQNUSA-N	-1	0	289.375	3.311	20	30		CGEDRM
Cc1conc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000633989585	351415424	/nfs/dbraw/zinc/41/54/24/351415424.db2.gz	UVTRNSJGIKLKGP-SECBINFHSA-N	-1	0	289.360	3.227	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2c(C)ccc(C)c2C(=O)[O-])C1	ZINC000634938524	351606436	/nfs/dbraw/zinc/60/64/36/351606436.db2.gz	KMNSKACAMRCNSP-CYBMUJFWSA-N	-1	0	287.359	3.040	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000037088493	369060720	/nfs/dbraw/zinc/06/07/20/369060720.db2.gz	DZBCOEYPQJSQMT-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000430521274	372390568	/nfs/dbraw/zinc/39/05/68/372390568.db2.gz	RETJYIYUQNMYHA-LLVKDONJSA-N	-1	0	279.299	3.208	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)ns1	ZINC000447511966	373442125	/nfs/dbraw/zinc/44/21/25/373442125.db2.gz	WGUZTSKAKXODIF-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
CC[C@@H](CC#N)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000183910336	374472635	/nfs/dbraw/zinc/47/26/35/374472635.db2.gz	IZPBGYZUYNXGFL-QMMMGPOBSA-N	-1	0	287.146	3.121	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000186068447	374793197	/nfs/dbraw/zinc/79/31/97/374793197.db2.gz	JHPDUXSLORBILI-UHFFFAOYSA-N	-1	0	296.710	3.086	20	30		CGEDRM
CCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F	ZINC000189007661	375309840	/nfs/dbraw/zinc/30/98/40/375309840.db2.gz	KSXUQLALXADXSJ-UHFFFAOYSA-N	-1	0	284.290	3.218	20	30		CGEDRM
C=CCn1c(SCC2CCC(C)(C)CC2)n[n-]c1=N	ZINC000537543004	376175591	/nfs/dbraw/zinc/17/55/91/376175591.db2.gz	GYKGGCLEZURKJH-UHFFFAOYSA-N	-1	0	280.441	3.185	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000338185051	376275704	/nfs/dbraw/zinc/27/57/04/376275704.db2.gz	MAMLXQJAHMVMII-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000343524052	378006908	/nfs/dbraw/zinc/00/69/08/378006908.db2.gz	MNKMAHLZTYJEFA-CYBMUJFWSA-N	-1	0	299.374	3.053	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000345888585	378400968	/nfs/dbraw/zinc/40/09/68/378400968.db2.gz	QXBYACJHUHUDIP-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CCN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000351583228	379730162	/nfs/dbraw/zinc/73/01/62/379730162.db2.gz	NUFLOTPHBFVMHF-UHFFFAOYSA-N	-1	0	298.342	3.489	20	30		CGEDRM
Cc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1F	ZINC000352534660	379846607	/nfs/dbraw/zinc/84/66/07/379846607.db2.gz	YJXKKCIBRBTPNI-ZZXKWVIFSA-N	-1	0	282.274	3.269	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000353020700	380077502	/nfs/dbraw/zinc/07/75/02/380077502.db2.gz	CPHMZTSBOWIFRV-SECBINFHSA-N	-1	0	297.339	3.337	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)[nH]1	ZINC000642281479	380158171	/nfs/dbraw/zinc/15/81/71/380158171.db2.gz	JVBXGPIQSFUCIS-LBPRGKRZSA-N	-1	0	279.299	3.263	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362130413	381886436	/nfs/dbraw/zinc/88/64/36/381886436.db2.gz	QNIXJPNTSVBQEU-JTQLQIEISA-N	-1	0	294.232	3.492	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(C)cc1	ZINC000042343343	391987280	/nfs/dbraw/zinc/98/72/80/391987280.db2.gz	CNBOPEILYHZKEU-MDZDMXLPSA-N	-1	0	281.377	3.095	20	30		CGEDRM
N#Cc1ccsc1C(=O)Nc1cc(Cl)ccc1[O-]	ZINC000052148229	392076500	/nfs/dbraw/zinc/07/65/00/392076500.db2.gz	NTESJUXBERLOCB-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccsc2C)n1	ZINC000334518798	392734143	/nfs/dbraw/zinc/73/41/43/392734143.db2.gz	AJHQYPYIZCRRFH-JTQLQIEISA-N	-1	0	262.359	3.312	20	30		CGEDRM
Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1C	ZINC000647379504	392712607	/nfs/dbraw/zinc/71/26/07/392712607.db2.gz	OBIAUOAUYFVIDH-LBPRGKRZSA-N	-1	0	285.372	3.158	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000646463592	393291109	/nfs/dbraw/zinc/29/11/09/393291109.db2.gz	TVJBGNRWMVIUSR-UHFFFAOYSA-N	-1	0	297.358	3.489	20	30		CGEDRM
CC(C)(C)CC[C@@H](Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000416439941	393313304	/nfs/dbraw/zinc/31/33/04/393313304.db2.gz	NIEHGZVCTZJONW-LLVKDONJSA-N	-1	0	295.770	3.298	20	30		CGEDRM
CC(C)c1nc(/C=C/c2cccc(C#N)c2)ncc1C(=O)[O-]	ZINC000172488604	165527968	/nfs/dbraw/zinc/52/79/68/165527968.db2.gz	RXINJWAWARLYDZ-VOTSOKGWSA-N	-1	0	293.326	3.340	20	30		CGEDRM
N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1ccncn1	ZINC000354466169	227004929	/nfs/dbraw/zinc/00/49/29/227004929.db2.gz	KDERRKJCNNAIAB-LBPRGKRZSA-N	-1	0	297.383	3.297	20	30		CGEDRM
C[C@H]1OCC[C@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329087771	227288357	/nfs/dbraw/zinc/28/83/57/227288357.db2.gz	HOFCJKGOHCNVFZ-RNFRBKRXSA-N	-1	0	268.363	3.371	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21	ZINC000659193851	418963939	/nfs/dbraw/zinc/96/39/39/418963939.db2.gz	QZAWJJHIFMITBH-AJNGGQMLSA-N	-1	0	293.407	3.081	20	30		CGEDRM
Cc1cnc(C(=O)Nc2scnc2C2CC2)c([O-])c1	ZINC000330326715	228148255	/nfs/dbraw/zinc/14/82/55/228148255.db2.gz	VEQFCNUMAXZPCF-UHFFFAOYSA-N	-1	0	275.333	3.066	20	30		CGEDRM
C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1	ZINC000076755576	260166563	/nfs/dbraw/zinc/16/65/63/260166563.db2.gz	JYRJQAULDLGGAR-RYUDHWBXSA-N	-1	0	281.377	3.158	20	30		CGEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514078	260662065	/nfs/dbraw/zinc/66/20/65/260662065.db2.gz	XOMOBOVPHUVKNT-LBPRGKRZSA-N	-1	0	285.409	3.209	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2ccc(F)cc2[O-])c1C	ZINC000156713488	261129454	/nfs/dbraw/zinc/12/94/54/261129454.db2.gz	FRFRIQQVCTWLSC-BQYQJAHWSA-N	-1	0	288.322	3.261	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC[C@@H]2CCCCO2)c1	ZINC000184306908	262015682	/nfs/dbraw/zinc/01/56/82/262015682.db2.gz	VFWJAMRAEWBDNN-LUYJPIOASA-N	-1	0	292.335	3.069	20	30		CGEDRM
CC(C)SCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000282145515	263074738	/nfs/dbraw/zinc/07/47/38/263074738.db2.gz	BHSJDBZZLOBNRL-UHFFFAOYSA-N	-1	0	295.452	3.484	20	30		CGEDRM
N#C[C@@]1(C(=O)Nc2cccc(Cl)c2[O-])CC12CCCC2	ZINC000295326393	263176148	/nfs/dbraw/zinc/17/61/48/263176148.db2.gz	SYFOVOCCUUNFQA-OAHLLOKOSA-N	-1	0	290.750	3.458	20	30		CGEDRM
CCSCC[C@@H](C)NC(=O)c1s[n-]c(=O)c1Cl	ZINC000330460244	263941716	/nfs/dbraw/zinc/94/17/16/263941716.db2.gz	RCEMAAFIGHPORU-ZCFIWIBFSA-N	-1	0	294.829	3.338	20	30		CGEDRM
CC1(C)CCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330782059	264052829	/nfs/dbraw/zinc/05/28/29/264052829.db2.gz	PCIRKEAFTDWSPT-LBPRGKRZSA-N	-1	0	278.308	3.184	20	30		CGEDRM
C=CCCCN(C)C(=O)c1ccc([O-])c(Cl)c1	ZINC000077108158	264349700	/nfs/dbraw/zinc/34/97/00/264349700.db2.gz	PSHTYWGATLXNAN-UHFFFAOYSA-N	-1	0	253.729	3.084	20	30		CGEDRM
Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(O)c1	ZINC000294516081	328281471	/nfs/dbraw/zinc/28/14/71/328281471.db2.gz	YEMOCTRCNANFSJ-MRXNPFEDSA-N	-1	0	270.332	3.113	20	30		CGEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)CCC1CCCC1	ZINC000566660091	322133396	/nfs/dbraw/zinc/13/33/96/322133396.db2.gz	GDWNATGSKOALSU-UHFFFAOYSA-N	-1	0	296.367	3.019	20	30		CGEDRM
COc1csc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000177606685	329187994	/nfs/dbraw/zinc/18/79/94/329187994.db2.gz	NUYYDCPCOYWYPZ-JTQLQIEISA-N	-1	0	298.323	3.388	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)c1c([O-])cccc1F	ZINC000119034489	330368686	/nfs/dbraw/zinc/36/86/86/330368686.db2.gz	SIVPTVBUVNYSLJ-UHFFFAOYSA-N	-1	0	291.347	3.421	20	30		CGEDRM
N#CCC[C@H](N=c1[n-]c(C2CCC2)no1)c1ccccc1	ZINC000515206161	330473114	/nfs/dbraw/zinc/47/31/14/330473114.db2.gz	IAVTYYNXJXXVIU-AWEZNQCLSA-N	-1	0	282.347	3.216	20	30		CGEDRM
C#C[C@@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000491637093	332257946	/nfs/dbraw/zinc/25/79/46/332257946.db2.gz	UJDFTTBJMPMZBR-SNVBAGLBSA-N	-1	0	287.746	3.293	20	30		CGEDRM
CC(C)n1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000191481564	333220349	/nfs/dbraw/zinc/22/03/49/333220349.db2.gz	WFZGPLLVYLWYSV-LBPRGKRZSA-N	-1	0	294.314	3.095	20	30		CGEDRM
C=CCCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000566859028	334667235	/nfs/dbraw/zinc/66/72/35/334667235.db2.gz	YRRNAZYZVSTVRB-UHFFFAOYSA-N	-1	0	278.308	3.004	20	30		CGEDRM
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccoc1	ZINC000350870223	527512945	/nfs/dbraw/zinc/51/29/45/527512945.db2.gz	MQSQKVXZTHFABI-UHFFFAOYSA-N	-1	0	277.345	3.199	20	30		CGEDRM
Cc1cccc2c1CCC2=NNc1ccc(C(=O)[O-])cc1	ZINC000729145638	571878035	/nfs/dbraw/zinc/87/80/35/571878035.db2.gz	MSURHIUYXBCKTA-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)cc1F	ZINC000729931630	571937333	/nfs/dbraw/zinc/93/73/33/571937333.db2.gz	PKXUEBPUKCPNKM-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
C=C1CCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1	ZINC000738495164	572377112	/nfs/dbraw/zinc/37/71/12/572377112.db2.gz	VLDTVXXOYQZWRB-UHFFFAOYSA-N	-1	0	294.738	3.222	20	30		CGEDRM
CCCNC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953052	572385956	/nfs/dbraw/zinc/38/59/56/572385956.db2.gz	LGTOANRBKVGIDI-UHFFFAOYSA-N	-1	0	279.434	3.389	20	30		CGEDRM
Cc1ccc2c(c1)C(N=Nc1ccccc1C(=O)[O-])CC2	ZINC000730947590	572386641	/nfs/dbraw/zinc/38/66/41/572386641.db2.gz	YOEIAYCKBMFNIT-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
O=C([O-])NC[C@H](/N=C/c1ccccc1O)C1CCCCC1	ZINC000740598943	572447923	/nfs/dbraw/zinc/44/79/23/572447923.db2.gz	XHVNVGQAOUQZNK-FBJMNJBLSA-N	-1	0	290.363	3.028	20	30		CGEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2ccccc2)c1	ZINC000733205517	572542883	/nfs/dbraw/zinc/54/28/83/572542883.db2.gz	YJFSJFIZEZAFQS-MDZDMXLPSA-N	-1	0	282.295	3.046	20	30		CGEDRM
O=[N+]([O-])c1cc(C=NNc2c(F)cccc2F)ccc1[O-]	ZINC000735615391	572734507	/nfs/dbraw/zinc/73/45/07/572734507.db2.gz	OHATZMXANKOTBO-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2cccc(C(=O)[O-])c2)c1	ZINC000736090536	572768151	/nfs/dbraw/zinc/76/81/51/572768151.db2.gz	BFSWRKRBOXWEQE-UHFFFAOYSA-N	-1	0	265.312	3.003	20	30		CGEDRM
C=CC[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736096998	572768390	/nfs/dbraw/zinc/76/83/90/572768390.db2.gz	VCRCSHAEFQSYSX-ZEBCKKTISA-N	-1	0	276.292	3.069	20	30		CGEDRM
O=[N+]([O-])c1cccc(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000749853847	573047994	/nfs/dbraw/zinc/04/79/94/573047994.db2.gz	XMYMXCYKQNHXIS-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
C[C@@H](C#N)CN(C)Cc1c2ccccc2sc1C(=O)[O-]	ZINC000042455941	599936695	/nfs/dbraw/zinc/93/66/95/599936695.db2.gz	KSPFRRPZBGRIHT-JTQLQIEISA-N	-1	0	288.372	3.191	20	30		CGEDRM
C=C(C)[C@H]1CC=C(COC(=O)[C@H](NC(=O)[O-])C(C)C)CC1	ZINC000825642167	601194547	/nfs/dbraw/zinc/19/45/47/601194547.db2.gz	IXSNSLBDFBXJGJ-UONOGXRCSA-N	-1	0	295.379	3.124	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCCc3ccccc3C2=O)[nH]1	ZINC000833311901	601330562	/nfs/dbraw/zinc/33/05/62/601330562.db2.gz	FHPXODQAFKJQCR-ZRDIBKRKSA-N	-1	0	281.311	3.316	20	30		CGEDRM
CC(C)(C#N)CCCSc1ncccc1C(=O)[O-]	ZINC000087596492	601344292	/nfs/dbraw/zinc/34/42/92/601344292.db2.gz	KELOHZWGOLZOSC-UHFFFAOYSA-N	-1	0	264.350	3.202	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000825671472	601449903	/nfs/dbraw/zinc/44/99/03/601449903.db2.gz	PWQYWYHLZAGBKL-UHFFFAOYSA-N	-1	0	291.347	3.467	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccccc2OC(F)(F)F)[n-]1	ZINC000899352623	620649824	/nfs/dbraw/zinc/64/98/24/620649824.db2.gz	MGYYBFYSTWKNNR-UHFFFAOYSA-N	-1	0	296.248	3.091	20	30		CGEDRM
CC(C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)=C1CCCC1	ZINC000826061516	601567870	/nfs/dbraw/zinc/56/78/70/601567870.db2.gz	VWNKALWBMKIHRI-HNNXBMFYSA-N	-1	0	299.326	3.118	20	30		CGEDRM
CCCCCCCCCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000111252378	601710812	/nfs/dbraw/zinc/71/08/12/601710812.db2.gz	LBKGVYFDMXWBHH-UONOGXRCSA-N	-1	0	283.412	3.306	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cc3ccccc3o2)c[nH]1	ZINC000833297115	601791570	/nfs/dbraw/zinc/79/15/70/601791570.db2.gz	BGVJGQFXJPJMOX-WAYWQWQTSA-N	-1	0	281.267	3.355	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\Cc3c(cccc3Cl)C2=O)c[nH]1	ZINC000833297436	601793453	/nfs/dbraw/zinc/79/34/53/601793453.db2.gz	GDPYLVWLBFQGTJ-RUDMXATFSA-N	-1	0	287.702	3.189	20	30		CGEDRM
Cc1c(Cl)cccc1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814802227	601797102	/nfs/dbraw/zinc/79/71/02/601797102.db2.gz	XGMPDXHZNSCIST-UHFFFAOYSA-N	-1	0	277.711	3.121	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)ccc2F)o1	ZINC000833312367	601826802	/nfs/dbraw/zinc/82/68/02/601826802.db2.gz	OHVMRXRIAGUWED-GORDUTHDSA-N	-1	0	278.210	3.152	20	30		CGEDRM
Cc1ccc2c(c1)OCC/C(=C/c1ccc(C(=O)[O-])o1)C2=O	ZINC000832958993	601952400	/nfs/dbraw/zinc/95/24/00/601952400.db2.gz	DMRIGEQBJHOZTG-LUAWRHEFSA-N	-1	0	298.294	3.335	20	30		CGEDRM
Cc1cccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000794855141	602065717	/nfs/dbraw/zinc/06/57/17/602065717.db2.gz	OGQUEHJKAVKZNG-ZDUSSCGKSA-N	-1	0	298.342	3.293	20	30		CGEDRM
N#CCCCCSCCOc1cccc(C(=O)[O-])c1	ZINC000833065870	602179622	/nfs/dbraw/zinc/17/96/22/602179622.db2.gz	OLLWOOCJMZGZBR-UHFFFAOYSA-N	-1	0	279.361	3.191	20	30		CGEDRM
CCC(CC)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000828859099	602343495	/nfs/dbraw/zinc/34/34/95/602343495.db2.gz	OIWREEAZPUDOBL-OAHLLOKOSA-N	-1	0	289.331	3.053	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1	ZINC000833309980	604628142	/nfs/dbraw/zinc/62/81/42/604628142.db2.gz	KHDNFZXCQCGOOM-HJWRWDBZSA-N	-1	0	296.278	3.010	20	30		CGEDRM
CC(=NN[C@@H](C)c1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000825804252	604638720	/nfs/dbraw/zinc/63/87/20/604638720.db2.gz	BPRDWTLREUYKOQ-LBPRGKRZSA-N	-1	0	282.343	3.460	20	30		CGEDRM
CC(=NOCC(F)(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000814881506	604641522	/nfs/dbraw/zinc/64/15/22/604641522.db2.gz	YFUFVZIRFIUVCU-MRVPVSSYSA-N	-1	0	269.263	3.222	20	30		CGEDRM
CC(N=Nc1cccc(F)c1F)c1ccc(C(=O)[O-])cc1	ZINC000825809089	604641532	/nfs/dbraw/zinc/64/15/32/604641532.db2.gz	MPKOFKPHEQTHJT-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000134984285	604873543	/nfs/dbraw/zinc/87/35/43/604873543.db2.gz	JSECSFZACNCGAF-LBPRGKRZSA-N	-1	0	290.338	3.025	20	30		CGEDRM
C=C(CC)CSCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000833370077	605009364	/nfs/dbraw/zinc/00/93/64/605009364.db2.gz	JUCYUFHHFIIMJM-UHFFFAOYSA-N	-1	0	281.377	3.212	20	30		CGEDRM
C=C(CC)CSCc1cccc(C(=O)[O-])c1C#N	ZINC000833370981	605009427	/nfs/dbraw/zinc/00/94/27/605009427.db2.gz	UAWYCQAQBGHBJK-UHFFFAOYSA-N	-1	0	261.346	3.456	20	30		CGEDRM
C=C(CC)COC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000833370771	605014315	/nfs/dbraw/zinc/01/43/15/605014315.db2.gz	SSGUBTFMBDIIMD-NSHDSACASA-N	-1	0	294.372	3.375	20	30		CGEDRM
C#CCCCCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1	ZINC000833362598	605020697	/nfs/dbraw/zinc/02/06/97/605020697.db2.gz	ABJYWANOHLVKMM-LBPRGKRZSA-N	-1	0	274.316	3.183	20	30		CGEDRM
C[C@@H]1C/C(=C\c2c[nH]c(C(=O)[O-])c2)C(=O)c2ccccc21	ZINC000833590052	605052419	/nfs/dbraw/zinc/05/24/19/605052419.db2.gz	YPHRYRSZZGLOSG-CEXMDJMXSA-N	-1	0	281.311	3.486	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cc(F)cc(F)c1	ZINC000755599499	605097696	/nfs/dbraw/zinc/09/76/96/605097696.db2.gz	BVNKCPQQVHMICT-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1c(F)cccc1F	ZINC000812442118	605100996	/nfs/dbraw/zinc/10/09/96/605100996.db2.gz	QCMMNXJYMAIZBA-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
CC(C)(CCC#N)CNc1cccc(CNC(=O)[O-])c1	ZINC000823886679	605247249	/nfs/dbraw/zinc/24/72/49/605247249.db2.gz	WLKVLUVWTSRIBU-UHFFFAOYSA-N	-1	0	275.352	3.196	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)[C@H](C)C1	ZINC000783862896	605329228	/nfs/dbraw/zinc/32/92/28/605329228.db2.gz	NVACANQWIYBBMI-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1ccc(N)cc1C	ZINC000758091590	605593643	/nfs/dbraw/zinc/59/36/43/605593643.db2.gz	VJPJRYMBIUYAPM-UHFFFAOYSA-N	-1	0	283.331	3.112	20	30		CGEDRM
N#CCCN(Cc1ccco1)Cc1cccc(NC(=O)[O-])c1	ZINC000833966061	605786406	/nfs/dbraw/zinc/78/64/06/605786406.db2.gz	ZCZGVGVCEUOQPQ-UHFFFAOYSA-N	-1	0	299.330	3.285	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(F)cc1	ZINC000049417584	617608132	/nfs/dbraw/zinc/60/81/32/617608132.db2.gz	BOVJEQCMVKKZQU-SNVBAGLBSA-N	-1	0	287.356	3.014	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccnc2C)c([O-])c1	ZINC000254968032	617696690	/nfs/dbraw/zinc/69/66/90/617696690.db2.gz	JSKSBDSONVRBCM-YVMONPNESA-N	-1	0	269.300	3.000	20	30		CGEDRM
O=C(/C=C\c1cc(F)c(F)cc1F)c1ccc(O)cc1[O-]	ZINC000255476321	618564524	/nfs/dbraw/zinc/56/45/24/618564524.db2.gz	DHTIJHWEWIEIRM-RJRFIUFISA-N	-1	0	294.228	3.411	20	30		CGEDRM
Cc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1[N+](=O)[O-]	ZINC000255692641	618777735	/nfs/dbraw/zinc/77/77/35/618777735.db2.gz	KDDNDEUFYOZQQL-XQRVVYSFSA-N	-1	0	299.282	3.211	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccccc2C#N)c([O-])c1	ZINC000255868192	618814605	/nfs/dbraw/zinc/81/46/05/618814605.db2.gz	AQLIFIGLJOAZJP-CLFYSBASSA-N	-1	0	263.296	3.468	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccnc2C)c([O-])c1	ZINC000255900365	618873203	/nfs/dbraw/zinc/87/32/03/618873203.db2.gz	JBDHHDNUDCMWIH-VURMDHGXSA-N	-1	0	253.301	3.300	20	30		CGEDRM
CS[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000783681576	618915982	/nfs/dbraw/zinc/91/59/82/618915982.db2.gz	HUMYFBSCUPWGDP-PBTLCFMXSA-N	-1	0	296.392	3.497	20	30		CGEDRM
O=C(/C=C/c1ncc[nH]1)c1ccc2ccccc2c1[O-]	ZINC000146830540	618950998	/nfs/dbraw/zinc/95/09/98/618950998.db2.gz	ULSOBLNQFHLDSP-BQYQJAHWSA-N	-1	0	264.284	3.165	20	30		CGEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000048519740	619504018	/nfs/dbraw/zinc/50/40/18/619504018.db2.gz	IMZWAFZSOSHORD-UHFFFAOYSA-N	-1	0	295.282	3.007	20	30		CGEDRM
O=C([O-])c1cc(C=NOCC2CCC2)sc1Cl	ZINC000901264351	620849471	/nfs/dbraw/zinc/84/94/71/620849471.db2.gz	BGPDGGMGLANOET-UHFFFAOYSA-N	-1	0	273.741	3.250	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=NC1C[C@H](C)O[C@@H](C)C1	ZINC000901304909	620851521	/nfs/dbraw/zinc/85/15/21/620851521.db2.gz	WIIWDXRGDPWREG-KBPBESRZSA-N	-1	0	298.427	3.333	20	30		CGEDRM
C[C@@H]1C(=NNC2CCC(F)(F)CC2)CC[C@H]1CC(=O)[O-]	ZINC000901340796	620857179	/nfs/dbraw/zinc/85/71/79/620857179.db2.gz	NISRVQVRRYSZEO-UWVGGRQHSA-N	-1	0	288.338	3.031	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(F)c(F)c1	ZINC000901317589	620859471	/nfs/dbraw/zinc/85/94/71/620859471.db2.gz	KDLPOKAKBPHIGF-UHFFFAOYSA-N	-1	0	282.290	3.398	20	30		CGEDRM
C=CCCC[C@H](C(=O)N[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000901426633	620883869	/nfs/dbraw/zinc/88/38/69/620883869.db2.gz	LADIKCIWKGPUTF-ZFWWWQNUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCC[C@H](C)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000901737219	621009413	/nfs/dbraw/zinc/00/94/13/621009413.db2.gz	BOLQOVFFMBCXHV-NSHDSACASA-N	-1	0	263.337	3.298	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000907588508	622302841	/nfs/dbraw/zinc/30/28/41/622302841.db2.gz	LMWWUPRFAPZVPF-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000907741311	622308677	/nfs/dbraw/zinc/30/86/77/622308677.db2.gz	RAKOZLFOYQAXNE-BYCMXARLSA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=CCCCN(CC)C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000908220953	622334047	/nfs/dbraw/zinc/33/40/47/622334047.db2.gz	ZAXRPMKXDMZKPX-UHFFFAOYSA-N	-1	0	281.396	3.226	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000908938066	622377811	/nfs/dbraw/zinc/37/78/11/622377811.db2.gz	YEDCXIDLGDXOLG-CQSZACIVSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000909837705	622429751	/nfs/dbraw/zinc/42/97/51/622429751.db2.gz	YSNDVRCDEVUWFH-NSHDSACASA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])C1	ZINC000910198946	622464962	/nfs/dbraw/zinc/46/49/62/622464962.db2.gz	XKRSPUZJFWVRAZ-UHFFFAOYSA-N	-1	0	284.315	3.161	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC000910624484	622496616	/nfs/dbraw/zinc/49/66/16/622496616.db2.gz	SHPOGSFLWNYWNC-UHFFFAOYSA-N	-1	0	291.347	3.324	20	30		CGEDRM
CCCCCCCC(=O)Nc1ncc(CC(=O)[O-])s1	ZINC000910672204	622498714	/nfs/dbraw/zinc/49/87/14/622498714.db2.gz	HAEAENCNKRCIHP-UHFFFAOYSA-N	-1	0	284.381	3.069	20	30		CGEDRM
N#Cc1ccccc1/C=C/c1ncc(/C=C\C(=O)[O-])s1	ZINC000755601653	625573196	/nfs/dbraw/zinc/57/31/96/625573196.db2.gz	QAOACFXLXOFWLT-YMBWGVAGSA-N	-1	0	282.324	3.283	20	30		CGEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1Cl	ZINC000150951615	622706828	/nfs/dbraw/zinc/70/68/28/622706828.db2.gz	SCMMOTVMKICDKO-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CC[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163864676	622805751	/nfs/dbraw/zinc/80/57/51/622805751.db2.gz	CAYUHVOWKPQJRV-QMMMGPOBSA-N	-1	0	286.253	3.100	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(F)cc1[O-]	ZINC000156722245	622841298	/nfs/dbraw/zinc/84/12/98/622841298.db2.gz	FXIDIGNXFRTRGZ-QPJJXVBHSA-N	-1	0	288.322	3.448	20	30		CGEDRM
CN(C)c1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000170852004	623104263	/nfs/dbraw/zinc/10/42/63/623104263.db2.gz	UFDGTECCMDGTQK-WEVVVXLNSA-N	-1	0	285.318	3.493	20	30		CGEDRM
Cc1cccc2c1OC/C(=C/c1ccc(C(=O)[O-])cc1)C2=O	ZINC000063279329	623312555	/nfs/dbraw/zinc/31/25/55/623312555.db2.gz	DHLDZFUKYKYXPG-ZROIWOOFSA-N	-1	0	294.306	3.352	20	30		CGEDRM
O=C([O-])c1ccccc1C=NOCc1ccc(F)cc1	ZINC000758144333	623494765	/nfs/dbraw/zinc/49/47/65/623494765.db2.gz	ZETUOTOHLAMQSM-UHFFFAOYSA-N	-1	0	273.263	3.075	20	30		CGEDRM
Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255395	624125816	/nfs/dbraw/zinc/12/58/16/624125816.db2.gz	XZZCHHBDGRQLBT-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
COCCOc1cccc(/C=C\C(=O)c2ccc(O)cc2)c1	ZINC000917143893	624246691	/nfs/dbraw/zinc/24/66/91/624246691.db2.gz	WNKCNAXPWVOHNI-YHYXMXQVSA-N	-1	0	298.338	3.314	20	30		CGEDRM
CCCn1cccc1C=NNc1ccccc1C(=O)[O-]	ZINC000918153064	624337649	/nfs/dbraw/zinc/33/76/49/624337649.db2.gz	TYEVETKXORINJU-UHFFFAOYSA-N	-1	0	271.320	3.042	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@H]2c2ccccc2)c1	ZINC000920387241	624489385	/nfs/dbraw/zinc/48/93/85/624489385.db2.gz	NEZUESWWBRAETR-KBQQKMGSSA-N	-1	0	282.299	3.275	20	30		CGEDRM
COc1c(C)cc(C=NNc2cccc(C(=O)[O-])c2)cc1C	ZINC000920356575	624480727	/nfs/dbraw/zinc/48/07/27/624480727.db2.gz	NMVQDHQWXALXBV-UHFFFAOYSA-N	-1	0	298.342	3.456	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096873	626130797	/nfs/dbraw/zinc/13/07/97/626130797.db2.gz	PHEYVYIOKNUPFT-ZDUSSCGKSA-N	-1	0	267.350	3.296	20	30		CGEDRM
O=C(/C=C/c1ccc(O)c(F)c1)c1ccccc1[O-]	ZINC000121323172	626188449	/nfs/dbraw/zinc/18/84/49/626188449.db2.gz	QABOFTWPSHOKLS-FNORWQNLSA-N	-1	0	258.248	3.133	20	30		CGEDRM
C[C@@H]1Cc2ccccc2C1=NNc1cccc(C(=O)[O-])c1	ZINC000751130571	626376918	/nfs/dbraw/zinc/37/69/18/626376918.db2.gz	DGNCRVKLSAZKMU-LLVKDONJSA-N	-1	0	280.327	3.393	20	30		CGEDRM
Cc1cccc(C)c1C=NNc1cccc(C(=O)[O-])c1	ZINC000755471546	626624850	/nfs/dbraw/zinc/62/48/50/626624850.db2.gz	GMPOEEIGBAHMAH-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
CCCCCCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755618047	626631797	/nfs/dbraw/zinc/63/17/97/626631797.db2.gz	TXIQHSOIYUOMJO-UHFFFAOYSA-N	-1	0	289.404	3.490	20	30		CGEDRM
COc1c(O)cccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000757467687	626780801	/nfs/dbraw/zinc/78/08/01/626780801.db2.gz	JVBBPOFLHYIMSN-ALCCZGGFSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CC(=NNc1ccc(C)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758088042	626826227	/nfs/dbraw/zinc/82/62/27/626826227.db2.gz	ARQJVAGFSNOQNS-UHFFFAOYSA-N	-1	0	285.303	3.445	20	30		CGEDRM
CC(=NOCc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1	ZINC000758142859	626830216	/nfs/dbraw/zinc/83/02/16/626830216.db2.gz	MKMRMRCAUHYTDX-UHFFFAOYSA-N	-1	0	287.290	3.465	20	30		CGEDRM
CCC(=NNc1ccc(C#N)cc1)c1ccc(C(=O)[O-])cc1	ZINC000760244354	626947367	/nfs/dbraw/zinc/94/73/67/626947367.db2.gz	VUULTJHPZUZNIB-UHFFFAOYSA-N	-1	0	293.326	3.483	20	30		CGEDRM
Cn1cnc2cc(/C=C/C(=O)c3cc(F)ccc3[O-])ccc21	ZINC000761206754	627025272	/nfs/dbraw/zinc/02/52/72/627025272.db2.gz	WCDPYNMNTBZQGJ-ZZXKWVIFSA-N	-1	0	296.301	3.314	20	30		CGEDRM
COc1cc(F)ccc1NN=Cc1cc(F)c([O-])c(F)c1	ZINC000761890619	627072230	/nfs/dbraw/zinc/07/22/30/627072230.db2.gz	PHDGTZNUNGGYGK-UHFFFAOYSA-N	-1	0	296.248	3.264	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCCCOc2ccccc2)nc1	ZINC000763367584	627153709	/nfs/dbraw/zinc/15/37/09/627153709.db2.gz	CJTROLLSURDPHE-UHFFFAOYSA-N	-1	0	299.330	3.037	20	30		CGEDRM
O=C([O-])c1ccc(N=NC=CCc2ccc(F)cc2)nc1	ZINC000763368309	627154236	/nfs/dbraw/zinc/15/42/36/627154236.db2.gz	LKIXKIMKEYILPB-HSWNSSPZSA-N	-1	0	285.278	3.030	20	30		CGEDRM
CCc1cnccc1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000765541678	627257819	/nfs/dbraw/zinc/25/78/19/627257819.db2.gz	BFGLZAUVASQMMW-UHFFFAOYSA-N	-1	0	283.331	3.178	20	30		CGEDRM
O=[N+]([O-])c1cc(NN=Cc2cccc(F)c2[O-])ccc1F	ZINC000769829850	627582622	/nfs/dbraw/zinc/58/26/22/627582622.db2.gz	JWUICQREPQJILI-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
CN1CCc2cc(C=CC(=O)c3sccc3[O-])ccc21	ZINC000773143373	627861567	/nfs/dbraw/zinc/86/15/67/627861567.db2.gz	RMHJSOITBRZQHM-HYXAFXHYSA-N	-1	0	285.368	3.342	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NOC1CCCC1	ZINC000774605828	628005761	/nfs/dbraw/zinc/00/57/61/628005761.db2.gz	AIWHLMGWYGRUFV-UHFFFAOYSA-N	-1	0	257.692	3.478	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000776191447	628178748	/nfs/dbraw/zinc/17/87/48/628178748.db2.gz	HVBYRKNBSLCKDF-ZZXKWVIFSA-N	-1	0	298.298	3.154	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1cccc(C(=O)[O-])c1	ZINC000777455522	628272497	/nfs/dbraw/zinc/27/24/97/628272497.db2.gz	GJXOXUKLEJECKP-UHFFFAOYSA-N	-1	0	275.226	3.078	20	30		CGEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCc1ccccc1	ZINC000780978025	628527722	/nfs/dbraw/zinc/52/77/22/628527722.db2.gz	CSDXHPCDXSMKKJ-HNNXBMFYSA-N	-1	0	292.379	3.206	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000781018087	628529845	/nfs/dbraw/zinc/52/98/45/628529845.db2.gz	QPMMOHMAOFLWMM-UHFFFAOYSA-N	-1	0	273.332	3.117	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2scnc2C2CC2)cc1	ZINC000782099502	628615883	/nfs/dbraw/zinc/61/58/83/628615883.db2.gz	YYUHVOVYFZKKSW-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2ccc([O-])c(F)c2)s1	ZINC000783706469	628742021	/nfs/dbraw/zinc/74/20/21/628742021.db2.gz	HGOKYNNTNWQBQS-WAYWQWQTSA-N	-1	0	277.320	3.446	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2ccccc2[O-])s1	ZINC000783710631	628742044	/nfs/dbraw/zinc/74/20/44/628742044.db2.gz	KNXBKDZWVQPOQA-FPLPWBNLSA-N	-1	0	259.330	3.307	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000783707210	628742160	/nfs/dbraw/zinc/74/21/60/628742160.db2.gz	NTNWJULSQZIVMY-ONEGZZNKSA-N	-1	0	293.369	3.361	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2ccc(O)cc2[O-])s1	ZINC000783711183	628742266	/nfs/dbraw/zinc/74/22/66/628742266.db2.gz	VDPRWADOHMPWJM-AATRIKPKSA-N	-1	0	275.329	3.013	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2ccc(OC)cc2[O-])s1	ZINC000783710167	628742331	/nfs/dbraw/zinc/74/23/31/628742331.db2.gz	BJBPIASPCGAYMM-VOTSOKGWSA-N	-1	0	289.356	3.316	20	30		CGEDRM
O=C([O-])c1ccc(C=NNCc2ccccc2)c(Cl)c1	ZINC000783813169	628748717	/nfs/dbraw/zinc/74/87/17/628748717.db2.gz	IZZHSVARNPFGKB-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
CCCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccsc1	ZINC000785456996	628863642	/nfs/dbraw/zinc/86/36/42/628863642.db2.gz	AXCAGDMRTNYJDZ-UHFFFAOYSA-N	-1	0	289.360	3.458	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cscn2)c1Cl	ZINC000787185165	629001134	/nfs/dbraw/zinc/00/11/34/629001134.db2.gz	XEHMHMCEFUABIB-SNAWJCMRSA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1ccc2nc(/C=C/C(=O)c3ccc(F)cc3[O-])cn2c1	ZINC000789141966	629107527	/nfs/dbraw/zinc/10/75/27/629107527.db2.gz	IMHIDJWDXQWFBZ-GQCTYLIASA-N	-1	0	296.301	3.384	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@@H]1CCC(C)C)C(=O)[O-]	ZINC000793055737	629406462	/nfs/dbraw/zinc/40/64/62/629406462.db2.gz	BWYOCBSPOIUILY-NEPJUHHUSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@@H](NN=C/C(C)=C\c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793080427	629408644	/nfs/dbraw/zinc/40/86/44/629408644.db2.gz	YWNBKPCZKFRKAO-UBUUYTGBSA-N	-1	0	280.755	3.182	20	30		CGEDRM
CC[C@@H](NN=C1CCC(c2ccccc2)CC1)C(=O)[O-]	ZINC000793079397	629408834	/nfs/dbraw/zinc/40/88/34/629408834.db2.gz	SDDZJSNKBLIRJT-AWKYBWMHSA-N	-1	0	274.364	3.153	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cc(C(=O)[O-])ccc1C	ZINC000793163893	629420393	/nfs/dbraw/zinc/42/03/93/629420393.db2.gz	NPHZVHANJOXPRY-JTQLQIEISA-N	-1	0	263.337	3.480	20	30		CGEDRM
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000119200063	629449025	/nfs/dbraw/zinc/44/90/25/629449025.db2.gz	VLRHXKQBJDEXSS-RYUDHWBXSA-N	-1	0	298.367	3.376	20	30		CGEDRM
O=C(C=Cc1c(F)ccc(O)c1F)c1sccc1[O-]	ZINC000794944428	629604290	/nfs/dbraw/zinc/60/42/90/629604290.db2.gz	GRJWHULACLFBPB-IWQZZHSRSA-N	-1	0	282.267	3.334	20	30		CGEDRM
O=c1[n-]c(N=NC=CCc2ccccc2)nc2ccccc21	ZINC000864009135	629726701	/nfs/dbraw/zinc/72/67/01/629726701.db2.gz	NBKULBGEILWPFP-ODGAGTQYSA-N	-1	0	290.326	3.447	20	30		CGEDRM
C[C@@H]1CCC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000798343312	630046671	/nfs/dbraw/zinc/04/66/71/630046671.db2.gz	CSRYDVAUPPCOBV-JDTFSJQSSA-N	-1	0	262.309	3.156	20	30		CGEDRM
CCCCCCCS(=O)(=O)Nc1cc(C)cc(C)n1	ZINC000799641016	630206699	/nfs/dbraw/zinc/20/66/99/630206699.db2.gz	VXYFGTVVDYXKCS-UHFFFAOYSA-N	-1	0	284.425	3.411	20	30		CGEDRM
Cc1[nH]c(C=NNc2ccc(Cl)c(F)c2)cc1C(=O)[O-]	ZINC000800813962	630301120	/nfs/dbraw/zinc/30/11/20/630301120.db2.gz	NKTQCFPBCLAXHI-UHFFFAOYSA-N	-1	0	295.701	3.260	20	30		CGEDRM
C#C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C	ZINC000806551485	630565769	/nfs/dbraw/zinc/56/57/69/630565769.db2.gz	LGRUDRIDYYANBF-LUMBYOQCSA-N	-1	0	294.738	3.421	20	30		CGEDRM
Cc1noc(C)c1/C=C1\C[C@@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806560441	630566949	/nfs/dbraw/zinc/56/69/49/630566949.db2.gz	LXVDJEKRMDZZLF-XKOZXHHJSA-N	-1	0	297.310	3.130	20	30		CGEDRM
Cc1noc(C)c1/C=C1/C[C@@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806560438	630566990	/nfs/dbraw/zinc/56/69/90/630566990.db2.gz	LXVDJEKRMDZZLF-OCOPJHETSA-N	-1	0	297.310	3.130	20	30		CGEDRM
CC(C)(CCC#N)CNC(=O)c1cccc(Cl)c1[O-]	ZINC000807847460	630600892	/nfs/dbraw/zinc/60/08/92/630600892.db2.gz	WWJXRHIRVVAHAC-UHFFFAOYSA-N	-1	0	280.755	3.105	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCCC2=NOC1CCC1	ZINC000812237195	631227810	/nfs/dbraw/zinc/22/78/10/631227810.db2.gz	OZPNLJPPQQXKMC-UHFFFAOYSA-N	-1	0	273.332	3.384	20	30		CGEDRM
CCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812441570	631260650	/nfs/dbraw/zinc/26/06/50/631260650.db2.gz	BYZUEWHIXRUGAC-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
C#CCO[N-]C(=O)[C@@H](Sc1ccccc1)c1ccccc1	ZINC000812781551	631306582	/nfs/dbraw/zinc/30/65/82/631306582.db2.gz	ZHFGMAOTAPKHPL-INIZCTEOSA-N	-1	0	297.379	3.201	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl	ZINC000837046136	634847186	/nfs/dbraw/zinc/84/71/86/634847186.db2.gz	FCDJMSFTYWYLHN-QMMMGPOBSA-N	-1	0	274.147	3.331	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccccc2OC2CC2)c1	ZINC000813500506	631430659	/nfs/dbraw/zinc/43/06/59/631430659.db2.gz	GXIZMOAAMXWYIY-UHFFFAOYSA-N	-1	0	294.310	3.057	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)cc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814686745	631622757	/nfs/dbraw/zinc/62/27/57/631622757.db2.gz	YMBIUKMLAKBOPT-DTWKUNHWSA-N	-1	0	282.290	3.254	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccc(F)cc2F)c1	ZINC000814686561	631623311	/nfs/dbraw/zinc/62/33/11/631623311.db2.gz	NXBZGJLVJDVKBF-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1	ZINC000814815357	631648080	/nfs/dbraw/zinc/64/80/80/631648080.db2.gz	VAMFLZRMDOBLEW-HUBLWGQQSA-N	-1	0	274.364	3.214	20	30		CGEDRM
COc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)cc1	ZINC000814885385	631664615	/nfs/dbraw/zinc/66/46/15/631664615.db2.gz	YHGBXVZKSNWCSE-UHFFFAOYSA-N	-1	0	276.336	3.128	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NO[C@H]1CCCCO1	ZINC000814887963	631666669	/nfs/dbraw/zinc/66/66/69/631666669.db2.gz	UKZRQPLXZNVPKM-AWEZNQCLSA-N	-1	0	271.357	3.331	20	30		CGEDRM
Cc1cccc(F)c1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814905317	631674995	/nfs/dbraw/zinc/67/49/95/631674995.db2.gz	SPHAROKUIONBIK-QWRGUYRKSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C[C@@H]1C(=NOCCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814908890	631677148	/nfs/dbraw/zinc/67/71/48/631677148.db2.gz	BZDBOZLHYHHORF-BDAKNGLRSA-N	-1	0	295.301	3.468	20	30		CGEDRM
COc1ccccc1CON=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000814923178	631684070	/nfs/dbraw/zinc/68/40/70/631684070.db2.gz	AMGSLHLXOZFCBM-SMDDNHRTSA-N	-1	0	291.347	3.089	20	30		CGEDRM
C[C@@H]1C(=NOC/C=C\Cl)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814933884	631688285	/nfs/dbraw/zinc/68/82/85/631688285.db2.gz	DPELQOMDPBEMEB-CLHROGMWSA-N	-1	0	273.760	3.268	20	30		CGEDRM
CCCC(=NNCC(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000814959794	631698073	/nfs/dbraw/zinc/69/80/73/631698073.db2.gz	BITPZFKJMCBGQL-UHFFFAOYSA-N	-1	0	289.162	3.172	20	30		CGEDRM
CC(=NNCC(=O)[O-])c1ccc(SC2CCCC2)cc1	ZINC000814956949	631698182	/nfs/dbraw/zinc/69/81/82/631698182.db2.gz	PXKKOQOOHKFFPN-UHFFFAOYSA-N	-1	0	292.404	3.120	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(F)ccc2Cl)c1	ZINC000815878192	631829804	/nfs/dbraw/zinc/82/98/04/631829804.db2.gz	WZWORELAIQLMMJ-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CCCCCC(C)=NNc1cnnc([O-])c1Cl	ZINC000818269931	632303527	/nfs/dbraw/zinc/30/35/27/632303527.db2.gz	PXQVWEXBFJIAQM-UHFFFAOYSA-N	-1	0	256.737	3.204	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(F)cc(F)c1O	ZINC000822977613	633045613	/nfs/dbraw/zinc/04/56/13/633045613.db2.gz	TXYHWCIWXWHOIH-MRVPVSSYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCCC1(C)C	ZINC000826572004	633415451	/nfs/dbraw/zinc/41/54/51/633415451.db2.gz	MUXHAEPIUISFBL-RDBSUJKOSA-N	-1	0	293.407	3.081	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCCC2(F)F)c1	ZINC000826603368	633421250	/nfs/dbraw/zinc/42/12/50/633421250.db2.gz	GHBAJRVKJLYQOZ-SNVBAGLBSA-N	-1	0	280.274	3.028	20	30		CGEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCCCO1	ZINC000872324134	634108585	/nfs/dbraw/zinc/10/85/85/634108585.db2.gz	LPHCOOCVOVYEHJ-AWEZNQCLSA-N	-1	0	290.363	3.378	20	30		CGEDRM
C=CCON=Cc1csc(=NC(=O)OC(C)(C)C)[nH]1	ZINC000872379508	634126486	/nfs/dbraw/zinc/12/64/86/634126486.db2.gz	BIMQIPPGUQTAFK-UHFFFAOYSA-N	-1	0	283.353	3.027	20	30		CGEDRM
C=C[C@H](C)ON=Cc1csc(=NC(=O)OC(C)(C)C)[nH]1	ZINC000872387108	634128823	/nfs/dbraw/zinc/12/88/23/634128823.db2.gz	LXRHWPYHDSWSGL-VIFPVBQESA-N	-1	0	297.380	3.415	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]3C[C@H]32)cc1F	ZINC000835009113	634313502	/nfs/dbraw/zinc/31/35/02/634313502.db2.gz	NXCVZAZPERRNEE-GZMMTYOYSA-N	-1	0	262.284	3.112	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009681	634314199	/nfs/dbraw/zinc/31/41/99/634314199.db2.gz	YIIRDJOJWDXLTN-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(C)C(CN=Nc1ccc(C(=O)[O-])nc1)C(C)C	ZINC000835010233	634314378	/nfs/dbraw/zinc/31/43/78/634314378.db2.gz	UJKJIMPTQWDIPF-UHFFFAOYSA-N	-1	0	263.341	3.106	20	30		CGEDRM
CC(C)(C)[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010258	634314490	/nfs/dbraw/zinc/31/44/90/634314490.db2.gz	VLLJHCAJUDGYTQ-SNVBAGLBSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCC[C@H](C)CN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011978	634315875	/nfs/dbraw/zinc/31/58/75/634315875.db2.gz	LPRQOIOGYIULOP-VIFPVBQESA-N	-1	0	252.289	3.358	20	30		CGEDRM
CC(CC1CC1)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012814	634316735	/nfs/dbraw/zinc/31/67/35/634316735.db2.gz	VZXNZTXYEOGFNZ-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CC(C)(CC(=O)Nc1cc(C#N)ccc1[O-])CC(F)F	ZINC000879065192	635693589	/nfs/dbraw/zinc/69/35/89/635693589.db2.gz	CKJHVMXQYICCIK-UHFFFAOYSA-N	-1	0	282.290	3.274	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000879394933	635777106	/nfs/dbraw/zinc/77/71/06/635777106.db2.gz	UZCXQEZLQBWOFM-UHFFFAOYSA-N	-1	0	261.321	3.136	20	30		CGEDRM
C=C(C)CON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000844619483	635943247	/nfs/dbraw/zinc/94/32/47/635943247.db2.gz	FXIAIYSOKUDMDX-UHFFFAOYSA-N	-1	0	293.750	3.405	20	30		CGEDRM
CC[C@@H]1CCC[C@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000881299832	636095218	/nfs/dbraw/zinc/09/52/18/636095218.db2.gz	XRQMSAWYVIPSLR-CJNGLKHVSA-N	-1	0	272.348	3.185	20	30		CGEDRM
N#CC(C(=O)c1ccoc1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835579	636105685	/nfs/dbraw/zinc/10/56/85/636105685.db2.gz	CMDOWSHMVIVAOQ-GFCCVEGCSA-N	-1	0	299.351	3.425	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	ZINC000846533262	636193092	/nfs/dbraw/zinc/19/30/92/636193092.db2.gz	FIVVPKAAXQQBHH-LLVKDONJSA-N	-1	0	291.244	3.340	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(OC)cc2)CCCC1	ZINC000846551125	636199601	/nfs/dbraw/zinc/19/96/01/636199601.db2.gz	RDYPGYXGRRAEDQ-CYBMUJFWSA-N	-1	0	289.375	3.129	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](OC1CCCC1)c1ccccc1	ZINC000846550280	636199734	/nfs/dbraw/zinc/19/97/34/636199734.db2.gz	MBWOVYILIRUDKV-CJNGLKHVSA-N	-1	0	289.375	3.309	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](OC(C)(C)C)c1ccccc1	ZINC000846550115	636200454	/nfs/dbraw/zinc/20/04/54/636200454.db2.gz	VAQTYMRLRFJNAK-TZMCWYRMSA-N	-1	0	277.364	3.165	20	30		CGEDRM
COCC(CC(C)(C)C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413457	636570502	/nfs/dbraw/zinc/57/05/02/636570502.db2.gz	FAMHGVNOVYXWDS-UHFFFAOYSA-N	-1	0	292.379	3.164	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CC[C@@H]2C2CCC2)cc1	ZINC000848414085	636570616	/nfs/dbraw/zinc/57/06/16/636570616.db2.gz	IXLKVUITSKWHIQ-CQSZACIVSA-N	-1	0	272.348	3.292	20	30		CGEDRM
CC1(C)CCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414609	636570642	/nfs/dbraw/zinc/57/06/42/636570642.db2.gz	PMKOJDKOCNAVOA-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)c([O-])c1	ZINC000849246873	636777726	/nfs/dbraw/zinc/77/77/26/636777726.db2.gz	MMBCWUQWTXPGDO-FNORWQNLSA-N	-1	0	282.343	3.203	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000849247016	636779790	/nfs/dbraw/zinc/77/97/90/636779790.db2.gz	NLZBLKQPCRGIFY-SREVYHEPSA-N	-1	0	286.306	3.038	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2ccccc2C(=O)[O-])CC1	ZINC000884404828	637021016	/nfs/dbraw/zinc/02/10/16/637021016.db2.gz	YAQIEQKZMYNSLN-GFCCVEGCSA-N	-1	0	276.336	3.132	20	30		CGEDRM
C#CC1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000853354321	637821949	/nfs/dbraw/zinc/82/19/49/637821949.db2.gz	DPQKLSIBFFWUQZ-UHFFFAOYSA-N	-1	0	274.295	3.115	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F	ZINC000853354811	637823413	/nfs/dbraw/zinc/82/34/13/637823413.db2.gz	WWJKCKKDBMBUOW-OUAUKWLOSA-N	-1	0	276.311	3.358	20	30		CGEDRM
C[C@H]1C(N=Nc2ccnc(Cl)c2)CC[C@@H]1CC(=O)[O-]	ZINC000853395014	637834174	/nfs/dbraw/zinc/83/41/74/637834174.db2.gz	HUJFQOIMOCIHJQ-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000113651203	638248502	/nfs/dbraw/zinc/24/85/02/638248502.db2.gz	WXGDWXAFGPQSFL-CYBMUJFWSA-N	-1	0	280.327	3.334	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)ccc1O	ZINC000113709202	638265177	/nfs/dbraw/zinc/26/51/77/638265177.db2.gz	AOOXIQSIZLEEQQ-ALCCZGGFSA-N	-1	0	282.295	3.295	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](CC)Sc1ccccc1	ZINC000856032013	638287254	/nfs/dbraw/zinc/28/72/54/638287254.db2.gz	HAIQAOJOYPORBP-ZDUSSCGKSA-N	-1	0	265.378	3.181	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc(CC)cc1	ZINC000856032762	638287973	/nfs/dbraw/zinc/28/79/73/638287973.db2.gz	PNPDAKPXQAPTLE-UHFFFAOYSA-N	-1	0	261.365	3.151	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c1	ZINC000042271622	639915162	/nfs/dbraw/zinc/91/51/62/639915162.db2.gz	CMNZZBOWJZUKCF-CYBMUJFWSA-N	-1	0	293.388	3.305	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC=CCC1	ZINC000046708991	639998059	/nfs/dbraw/zinc/99/80/59/639998059.db2.gz	QRFRCJNDVMDUOB-JTQLQIEISA-N	-1	0	299.779	3.342	20	30		CGEDRM
C=C[C@@H](CC(=O)N[C@H](CCCC)C(=O)[O-])c1ccccc1	ZINC000191232769	640298083	/nfs/dbraw/zinc/29/80/83/640298083.db2.gz	NMZYYDALZSGQHH-DZGCQCFKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
Cc1cccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c1	ZINC000254382710	640909568	/nfs/dbraw/zinc/90/95/68/640909568.db2.gz	VTCYKUIOEFIJPJ-UHFFFAOYSA-N	-1	0	284.344	3.391	20	30		CGEDRM
CSc1nc(Cl)c(/C=N/O)c(NC2(C)CCC2)n1	ZINC001156069667	805648327	/nfs/dbraw/zinc/64/83/27/805648327.db2.gz	OXCIFCFYQLXSED-AWNIVKPZSA-N	-1	0	286.788	3.015	20	30		CGEDRM
Cc1cc(-c2cc(C#N)ccc2F)ccc1C(=O)[O-]	ZINC001250634679	805739861	/nfs/dbraw/zinc/73/98/61/805739861.db2.gz	ZIKBECGRISZFIM-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
N#Cc1cc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1F	ZINC001250637694	805743151	/nfs/dbraw/zinc/74/31/51/805743151.db2.gz	NBRGBLWIYZXNAV-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)ccc2F)ccc1C(=O)[O-]	ZINC001211658132	814927332	/nfs/dbraw/zinc/92/73/32/814927332.db2.gz	BHZSYUMFIORBHP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1csc([N-]S(=O)(=O)c2ccccc2C)c1C#N	ZINC001254497642	806419436	/nfs/dbraw/zinc/41/94/36/806419436.db2.gz	FLCSVCXLNPBXRH-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#C[C@H](Nc1ccccc1/C=C/C(=O)[O-])c1ccccc1	ZINC001161718906	806432112	/nfs/dbraw/zinc/43/21/12/806432112.db2.gz	VTRAKWOFJUMFPD-OFAQMXQXSA-N	-1	0	278.311	3.461	20	30		CGEDRM
C#CC1(Nc2nc[n-]c3nc(=S)sc2-3)CCCCC1	ZINC001162479631	806595041	/nfs/dbraw/zinc/59/50/41/806595041.db2.gz	KIXABMJNQUMUIJ-UHFFFAOYSA-N	-1	0	290.417	3.123	20	30		CGEDRM
O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccccc1	ZINC000032602874	798849207	/nfs/dbraw/zinc/84/92/07/798849207.db2.gz	PSWZFOFXPNFRHH-CMDGGOBGSA-N	-1	0	293.369	3.107	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C)c1	ZINC000125583700	799002554	/nfs/dbraw/zinc/00/25/54/799002554.db2.gz	CQKKUQMAUYBYAN-HNNXBMFYSA-N	-1	0	286.375	3.014	20	30		CGEDRM
C/C(=C\C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000176397221	799094742	/nfs/dbraw/zinc/09/47/42/799094742.db2.gz	CSRQMFJOMZWJQA-FMIVXFBMSA-N	-1	0	278.311	3.306	20	30		CGEDRM
C#C[C@H](CCC)NC(=O)c1ccc2ccccc2c1O	ZINC000229952202	799140169	/nfs/dbraw/zinc/14/01/69/799140169.db2.gz	ACSZJIAOLWADBB-CYBMUJFWSA-N	-1	0	267.328	3.077	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC000397034899	799513879	/nfs/dbraw/zinc/51/38/79/799513879.db2.gz	NAQZMWVAAYZJNU-UONOGXRCSA-N	-1	0	283.412	3.449	20	30		CGEDRM
COc1cccc(C=CC(=O)c2sccc2[O-])c1F	ZINC000588619202	799722285	/nfs/dbraw/zinc/72/22/85/799722285.db2.gz	OXGPYOFELPPMQF-WAYWQWQTSA-N	-1	0	278.304	3.498	20	30		CGEDRM
CCCCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000703714391	799928134	/nfs/dbraw/zinc/92/81/34/799928134.db2.gz	PHDFNPMHXFDXNF-UHFFFAOYSA-N	-1	0	280.324	3.001	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccccc1Cl	ZINC001117742636	802484563	/nfs/dbraw/zinc/48/45/63/802484563.db2.gz	SZTAKXPCKXARTF-MNOVXSKESA-N	-1	0	294.782	3.306	20	30		CGEDRM
N#Cc1cnc(Nc2ccc(C(=O)[O-])s2)c(Cl)c1	ZINC001174805390	809166360	/nfs/dbraw/zinc/16/63/60/809166360.db2.gz	CATZCARKUWBGLZ-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#CCOc1ccccc1-c1cc(F)c([O-])c(F)c1	ZINC001244096463	803184443	/nfs/dbraw/zinc/18/44/43/803184443.db2.gz	IUFPSJADMDCCTA-UHFFFAOYSA-N	-1	0	261.227	3.240	20	30		CGEDRM
COc1cc(-c2cc(F)c([O-])c(F)c2)cc(F)c1C#N	ZINC001244099153	803186796	/nfs/dbraw/zinc/18/67/96/803186796.db2.gz	WPQCBXQBFRIEGS-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccccc2CS)c1	ZINC001244177679	803226915	/nfs/dbraw/zinc/22/69/15/803226915.db2.gz	FDIJSHKFIOBQFI-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)c(C)n1	ZINC001244419585	803360450	/nfs/dbraw/zinc/36/04/50/803360450.db2.gz	FIEAFXGSWHAEAM-UHFFFAOYSA-N	-1	0	296.326	3.334	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1ccc(OC(F)(F)F)cc1[O-]	ZINC001244464527	803381525	/nfs/dbraw/zinc/38/15/25/803381525.db2.gz	QXULRERCYGSWKV-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244610592	803463230	/nfs/dbraw/zinc/46/32/30/803463230.db2.gz	NOTNBTQZUZNUKL-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
COc1cnc(-c2ccc(Cl)c([O-])c2F)c(C#N)c1	ZINC001244631419	803473743	/nfs/dbraw/zinc/47/37/43/803473743.db2.gz	YHIDWBWFSQBWPE-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
C=CCOCc1cccc(-c2cc(C(=O)[O-])cnc2F)c1	ZINC001244762425	803522994	/nfs/dbraw/zinc/52/29/94/803522994.db2.gz	LHTJINVIPLAJOU-UHFFFAOYSA-N	-1	0	287.290	3.289	20	30		CGEDRM
C=CCOc1ccc(-c2cccc(C(=O)[O-])c2C)nc1C#N	ZINC001245297811	803694167	/nfs/dbraw/zinc/69/41/67/803694167.db2.gz	SOXOQEQUKCFWAD-UHFFFAOYSA-N	-1	0	294.310	3.192	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1[nH]ccc2ncc(C#N)c1-2	ZINC001245302694	803696266	/nfs/dbraw/zinc/69/62/66/803696266.db2.gz	VYFBWBAQUZEJMT-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])cc1Cl)CCC2	ZINC001245373162	803718052	/nfs/dbraw/zinc/71/80/52/803718052.db2.gz	XYPRGOBLQGAKAY-UHFFFAOYSA-N	-1	0	298.729	3.461	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211966641	814962767	/nfs/dbraw/zinc/96/27/67/814962767.db2.gz	JEFMYYFBGSXEDB-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC001137826625	803777619	/nfs/dbraw/zinc/77/76/19/803777619.db2.gz	LQVIGDNKOSDVTM-UHFFFAOYSA-N	-1	0	296.710	3.249	20	30		CGEDRM
N#CCc1cnc(F)c(-c2cc([O-])c(F)c(F)c2F)c1	ZINC001245640548	803878553	/nfs/dbraw/zinc/87/85/53/803878553.db2.gz	YEXVWOSUJUZSNF-UHFFFAOYSA-N	-1	0	282.196	3.077	20	30		CGEDRM
COc1ccc(C#N)c(-c2c(F)ccc([O-])c2Cl)n1	ZINC001245836869	803990505	/nfs/dbraw/zinc/99/05/05/803990505.db2.gz	ZDAVALYTVRDJEJ-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1ccc(-c2ccc(/C=N/[O-])c(F)c2)c(Cl)n1	ZINC001245878831	804008894	/nfs/dbraw/zinc/00/88/94/804008894.db2.gz	XSAVFGAXHHWHRF-FRKPEAEDSA-N	-1	0	280.686	3.358	20	30		CGEDRM
Cc1cccc(-c2cc(=O)n(-c3ccccc3C#N)[n-]2)c1	ZINC001245918296	804044683	/nfs/dbraw/zinc/04/46/83/804044683.db2.gz	QPMSYWMBZXAMJJ-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3ccc(F)cc3)cc2=O)cc1	ZINC001245917900	804045236	/nfs/dbraw/zinc/04/52/36/804045236.db2.gz	MFSOORISZXLXIT-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3c(F)cccc3F)cc2=O)cc1	ZINC001245931463	804061465	/nfs/dbraw/zinc/06/14/65/804061465.db2.gz	FJAUQLATDFCHJP-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3cc(F)ccc3F)[n-]2)cc1	ZINC001245937041	804067307	/nfs/dbraw/zinc/06/73/07/804067307.db2.gz	IGABEGIPVNKYGN-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C#CCCc1cc([O-])n(C(=S)c2ccc(Cl)cc2)n1	ZINC001245951698	804085367	/nfs/dbraw/zinc/08/53/67/804085367.db2.gz	HNYUCQPVJZALCO-UHFFFAOYSA-N	-1	0	290.775	3.032	20	30		CGEDRM
C#CCCc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)[n-]1	ZINC001245951335	804085429	/nfs/dbraw/zinc/08/54/29/804085429.db2.gz	DDNASUJPPZQVBP-UHFFFAOYSA-N	-1	0	294.276	3.222	20	30		CGEDRM
C=CCCCNC(=S)Nc1ccc([S-])c(OC)c1	ZINC001247768524	804820823	/nfs/dbraw/zinc/82/08/23/804820823.db2.gz	OANQBCUWZBJWOY-UHFFFAOYSA-N	-1	0	282.434	3.237	20	30		CGEDRM
CCc1ccccc1C(=O)Nc1ccc(O)c(C#N)c1	ZINC001148412056	805181361	/nfs/dbraw/zinc/18/13/61/805181361.db2.gz	XUMVDBKTVUBTNN-UHFFFAOYSA-N	-1	0	266.300	3.079	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cc([O-])c(F)c(F)c1F	ZINC001249963655	805331109	/nfs/dbraw/zinc/33/11/09/805331109.db2.gz	QYMNLOHRDUKWCE-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)s1	ZINC001258208809	807364674	/nfs/dbraw/zinc/36/46/74/807364674.db2.gz	YOJBOURYRUKQIE-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258279052	807391119	/nfs/dbraw/zinc/39/11/19/807391119.db2.gz	VHXPJWCUHHCMEX-UHFFFAOYSA-N	-1	0	298.367	3.392	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1C#N	ZINC001260067502	807696132	/nfs/dbraw/zinc/69/61/32/807696132.db2.gz	OMVUGBHJTWIVBR-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#CC(=C([O-])C=C1CCCC1)c1ncc(F)cc1F	ZINC001263664613	807991776	/nfs/dbraw/zinc/99/17/76/807991776.db2.gz	HJGDPKVATQCZGV-NSHDSACASA-N	-1	0	262.259	3.036	20	30		CGEDRM
CCCCCCC[C@@H](CC)N[C@@H]1SC(=O)[N-]C1=O	ZINC001172347041	808245796	/nfs/dbraw/zinc/24/57/96/808245796.db2.gz	PNCPCHXBHXIXLV-ZYHUDNBSSA-N	-1	0	272.414	3.024	20	30		CGEDRM
N#CC1(N(C(=O)c2cccc(Cl)c2[O-])C2CC2)CCC1	ZINC001269445860	808681571	/nfs/dbraw/zinc/68/15/71/808681571.db2.gz	URNFGRMSQXDZQM-UHFFFAOYSA-N	-1	0	290.750	3.096	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cccc(OC)c1C#N	ZINC001174676209	809125931	/nfs/dbraw/zinc/12/59/31/809125931.db2.gz	HHHVKJLFGOSVKL-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(F)cc1C#N	ZINC001174676010	809126243	/nfs/dbraw/zinc/12/62/43/809126243.db2.gz	BHNKUGSTIUPDQO-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccc(C(=O)[O-])cc2OC)c1	ZINC001174676067	809126395	/nfs/dbraw/zinc/12/63/95/809126395.db2.gz	DTQBUINXEALCFD-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(F)cc(O)cc1F	ZINC001175098187	809269663	/nfs/dbraw/zinc/26/96/63/809269663.db2.gz	HLTKLHPBCBMHEV-UHFFFAOYSA-N	-1	0	268.244	3.053	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175156660	809291499	/nfs/dbraw/zinc/29/14/99/809291499.db2.gz	ILQCWVIRXXQTAW-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)cs1	ZINC001175219771	809313103	/nfs/dbraw/zinc/31/31/03/809313103.db2.gz	GCAHHYDOSDAKBR-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175220198	809313392	/nfs/dbraw/zinc/31/33/92/809313392.db2.gz	MYSRARHHLFAJCN-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
Cn1ncc2cccc(Nc3cc(C#N)c(F)cc3[O-])c21	ZINC001175449457	809410973	/nfs/dbraw/zinc/41/09/73/809410973.db2.gz	ROAJQODFXVMSFJ-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3occc3c2)cc1[O-]	ZINC001302481738	809595780	/nfs/dbraw/zinc/59/57/80/809595780.db2.gz	FIONNDBTZJZAIY-UHFFFAOYSA-N	-1	0	278.267	3.262	20	30		CGEDRM
COc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001176670187	809740154	/nfs/dbraw/zinc/74/01/54/809740154.db2.gz	AZOBGUHWYSCLLI-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
COc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1C#N	ZINC001176673270	809740783	/nfs/dbraw/zinc/74/07/83/809740783.db2.gz	QVJVCZJAYYLKCS-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C#N	ZINC001176676691	809741333	/nfs/dbraw/zinc/74/13/33/809741333.db2.gz	HZEDVXJZEPCENE-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213627278	815313474	/nfs/dbraw/zinc/31/34/74/815313474.db2.gz	CATSNGOFRAALPH-UHFFFAOYSA-N	-1	0	291.310	3.191	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176714409	809748842	/nfs/dbraw/zinc/74/88/42/809748842.db2.gz	CIGNIXGMTISMNH-UHFFFAOYSA-N	-1	0	267.288	3.042	20	30		CGEDRM
CC#CCCCCCCCC(=O)Nc1cncc(O)c1	ZINC001182764211	810122838	/nfs/dbraw/zinc/12/28/38/810122838.db2.gz	GIANKYAKFCQPNH-UHFFFAOYSA-N	-1	0	274.364	3.480	20	30		CGEDRM
CCCCN(O)C(=O)Cc1c(F)cccc1Cl	ZINC001184315090	810190831	/nfs/dbraw/zinc/19/08/31/810190831.db2.gz	QLXBRUKKAKFJJB-UHFFFAOYSA-N	-1	0	259.708	3.040	20	30		CGEDRM
N#Cc1cnccc1Nc1ccc(Cl)cc1[S-]	ZINC001214015102	815356064	/nfs/dbraw/zinc/35/60/64/815356064.db2.gz	AHXHBKFZYSBFKD-UHFFFAOYSA-N	-1	0	261.737	3.061	20	30		CGEDRM
CC(C)(C#N)c1ccc(NC(=O)c2cccc([S-])c2)cn1	ZINC001186130089	810315681	/nfs/dbraw/zinc/31/56/81/810315681.db2.gz	BJFZYNSRFWOXAE-UHFFFAOYSA-N	-1	0	297.383	3.424	20	30		CGEDRM
C=Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001186511911	810344052	/nfs/dbraw/zinc/34/40/52/810344052.db2.gz	MZBPDUGBBDCTPS-UHFFFAOYSA-N	-1	0	282.274	3.298	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-][C@H](C)C(F)(F)F	ZINC001188020773	810442766	/nfs/dbraw/zinc/44/27/66/810442766.db2.gz	FWBPUUFQIYUPOH-SNVBAGLBSA-N	-1	0	289.363	3.217	20	30		CGEDRM
N#Cc1cc(NC(=O)NC2CCCCCC2)c([O-])cc1F	ZINC001191273223	810695693	/nfs/dbraw/zinc/69/56/93/810695693.db2.gz	NIOCXRNVODSZDO-UHFFFAOYSA-N	-1	0	291.326	3.247	20	30		CGEDRM
N#Cc1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)ccc1[O-]	ZINC001193504401	810899710	/nfs/dbraw/zinc/89/97/10/810899710.db2.gz	RGPCUWYWSGXIBK-MRXNPFEDSA-N	-1	0	298.386	3.449	20	30		CGEDRM
CCC1(NC(=O)c2ccc([O-])c(C#N)c2)CCCCC1	ZINC001193515465	810902206	/nfs/dbraw/zinc/90/22/06/810902206.db2.gz	NKZXLFQGKKNBCY-UHFFFAOYSA-N	-1	0	272.348	3.107	20	30		CGEDRM
N#Cc1cc(NC(=O)OC2CCCCC2)c([O-])cc1F	ZINC001193634291	810924397	/nfs/dbraw/zinc/92/43/97/810924397.db2.gz	HGYXJDDRWBDFNB-UHFFFAOYSA-N	-1	0	278.283	3.284	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2csc3cnccc23)c1[O-]	ZINC001193642305	810926932	/nfs/dbraw/zinc/92/69/32/810926932.db2.gz	DQRQNLAFZDILNX-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
Cc1ccc(OC(=O)Nc2scc([O-])c2C#N)cc1	ZINC001194425454	811074322	/nfs/dbraw/zinc/07/43/22/811074322.db2.gz	CFHBCRVHQAAAQT-UHFFFAOYSA-N	-1	0	274.301	3.245	20	30		CGEDRM
C#Cc1ccccc1[N-]S(=O)(=O)c1ccc2occc2c1	ZINC001198858753	811548401	/nfs/dbraw/zinc/54/84/01/811548401.db2.gz	IMYJEOLBCBGBAA-UHFFFAOYSA-N	-1	0	297.335	3.215	20	30		CGEDRM
N#Cc1cc(Cl)cc(Nc2cnc(F)c(C(=O)[O-])c2)c1	ZINC001215113556	815484877	/nfs/dbraw/zinc/48/48/77/815484877.db2.gz	FOPVEFJCPCZREY-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
C=CCNC(=O)Nc1ccc(Cl)c(Cl)c1[O-]	ZINC001202572219	812125342	/nfs/dbraw/zinc/12/53/42/812125342.db2.gz	YIORSVJFZXYEOO-UHFFFAOYSA-N	-1	0	261.108	3.007	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001215274291	815501833	/nfs/dbraw/zinc/50/18/33/815501833.db2.gz	QMTWOZQQAJSMCD-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292456	812296075	/nfs/dbraw/zinc/29/60/75/812296075.db2.gz	NZSFSJCIQVONSG-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cc(Nc2cc3n[nH]cc3c(F)c2)c([O-])cc1F	ZINC001215557127	815533947	/nfs/dbraw/zinc/53/39/47/815533947.db2.gz	RDLXRCYIFGFRBC-UHFFFAOYSA-N	-1	0	286.241	3.162	20	30		CGEDRM
Cc1nsc(Nc2c(F)cc(C(=O)[O-])cc2F)c1C#N	ZINC001215610265	815547646	/nfs/dbraw/zinc/54/76/46/815547646.db2.gz	PEAXDJZMCKDPBQ-UHFFFAOYSA-N	-1	0	295.270	3.043	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001215613904	815547961	/nfs/dbraw/zinc/54/79/61/815547961.db2.gz	UZUUJTSORRWGJM-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1nn(C)c2ccc(Nc3cc(C#N)c(F)cc3[O-])cc12	ZINC001204884950	812763717	/nfs/dbraw/zinc/76/37/17/812763717.db2.gz	VPEDXEDDFVEDND-UHFFFAOYSA-N	-1	0	296.305	3.342	20	30		CGEDRM
N#CCc1ccccc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206038615	813177306	/nfs/dbraw/zinc/17/73/06/813177306.db2.gz	JGKQKDNHQDQVBI-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CC1(c2ccc(-c3csc(C(=O)[O-])c3)nc2)CC1	ZINC001206250374	813256525	/nfs/dbraw/zinc/25/65/25/813256525.db2.gz	LNCKCWVEOYASTN-UHFFFAOYSA-N	-1	0	270.313	3.063	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)cc(C(=O)[O-])c2)ccc1F	ZINC001209889621	814189662	/nfs/dbraw/zinc/18/96/62/814189662.db2.gz	QENATIFFOYEYOJ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
CC(C)(C)c1noc(Nc2cccc(CC(=O)[O-])c2)c1C#N	ZINC001210069404	814271630	/nfs/dbraw/zinc/27/16/30/814271630.db2.gz	LYELYXAJXHPYDU-UHFFFAOYSA-N	-1	0	299.330	3.214	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1cccc(CC(=O)[O-])c1	ZINC001210076934	814276340	/nfs/dbraw/zinc/27/63/40/814276340.db2.gz	LKVHQXJDTKWROV-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
C#Cc1nccnc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210924851	814676429	/nfs/dbraw/zinc/67/64/29/814676429.db2.gz	UHSYFGFEUDDSIQ-UHFFFAOYSA-N	-1	0	280.114	3.214	20	30		CGEDRM
N#Cc1ccc(Nc2cccc([S-])c2)cc1C#N	ZINC001210949362	814687024	/nfs/dbraw/zinc/68/70/24/814687024.db2.gz	CIMIADNQKKRDGL-UHFFFAOYSA-N	-1	0	251.314	3.462	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccccc1C(=O)[O-]	ZINC001210970112	814697062	/nfs/dbraw/zinc/69/70/62/814697062.db2.gz	ZRMYDADBRDDHRO-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc(F)c(-c2noc(-c3cc(F)ccc3[O-])n2)c1	ZINC001215765555	815582676	/nfs/dbraw/zinc/58/26/76/815582676.db2.gz	ABXMUZSZCAIUEN-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
Cc1nsc(Nc2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001211615347	814917926	/nfs/dbraw/zinc/91/79/26/814917926.db2.gz	KIDONEQLCLUKAH-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(C)c1CO	ZINC001216120324	815704240	/nfs/dbraw/zinc/70/42/40/815704240.db2.gz	CUELXRYYPWDRGF-UHFFFAOYSA-N	-1	0	286.306	3.256	20	30		CGEDRM
CC(C)c1nnc([N-]c2cccc(Cl)c2C#N)o1	ZINC001216124412	815706536	/nfs/dbraw/zinc/70/65/36/815706536.db2.gz	VPCZNSNJJBGFEJ-UHFFFAOYSA-N	-1	0	262.700	3.462	20	30		CGEDRM
Cc1noc([N-]c2c(Cl)ccnc2Cl)c1C#N	ZINC001216300114	815772721	/nfs/dbraw/zinc/77/27/21/815772721.db2.gz	IKKGFVFIFOQDOR-UHFFFAOYSA-N	-1	0	269.091	3.300	20	30		CGEDRM
CCCOc1ccc(Nc2scc([O-])c2C#N)cn1	ZINC001216585876	815865647	/nfs/dbraw/zinc/86/56/47/815865647.db2.gz	SJRWMXWNRNHDEA-UHFFFAOYSA-N	-1	0	275.333	3.253	20	30		CGEDRM
Cc1c(Nc2ccc(C#N)s2)cccc1C(=O)[O-]	ZINC001216659936	815887774	/nfs/dbraw/zinc/88/77/74/815887774.db2.gz	YSBYYBNQRPREFK-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1sccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216676845	815890943	/nfs/dbraw/zinc/89/09/43/815890943.db2.gz	AISICOJDLGSHTQ-UHFFFAOYSA-N	-1	0	276.292	3.130	20	30		CGEDRM
N#CCc1ccccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216681620	815891884	/nfs/dbraw/zinc/89/18/84/815891884.db2.gz	GVQVOUUHMZHGOE-UHFFFAOYSA-N	-1	0	284.290	3.262	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2cc(CC(=O)[O-])ccc2F)c1	ZINC001216685876	815893158	/nfs/dbraw/zinc/89/31/58/815893158.db2.gz	YXYPNTSCOCJDJZ-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3ccc(F)c([O-])c3F)n2)c1	ZINC001216984542	815905693	/nfs/dbraw/zinc/90/56/93/815905693.db2.gz	ARGYHWKXZSNVOX-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
Cc1c(F)cccc1-c1noc(-c2ccc(C#N)cc2[O-])n1	ZINC001217040515	815907676	/nfs/dbraw/zinc/90/76/76/815907676.db2.gz	XGOCDCFCDNBVNY-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
COc1cc(-c2cccc(C(=O)[O-])c2OC)ccc1CC#N	ZINC001242922335	823172566	/nfs/dbraw/zinc/17/25/66/823172566.db2.gz	IGCVIEWPDQXLPA-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cccc2[nH]c(C#N)cc21	ZINC001242922191	823172660	/nfs/dbraw/zinc/17/26/60/823172660.db2.gz	BJRMMQFBVSWTMX-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
C=C(C)C(=O)OC[C@@H](C)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223592490	816654053	/nfs/dbraw/zinc/65/40/53/816654053.db2.gz	ALXWWUJRULBDBH-JITTUONFSA-N	-1	0	297.738	3.000	20	30		CGEDRM
CC[C@H]1OC(=O)C(O/C(=N\[O-])c2ccc(Cl)cc2)=C1C	ZINC001223594919	816655223	/nfs/dbraw/zinc/65/52/23/816655223.db2.gz	CNONOQQYCJOFOH-KDUNNAQNSA-N	-1	0	295.722	3.102	20	30		CGEDRM
[O-]/N=C(\O[C@H]1COc2cnccc21)c1ccc(Cl)cc1	ZINC001223593748	816655313	/nfs/dbraw/zinc/65/53/13/816655313.db2.gz	NMIMBWSJYNJTKN-FSLWVPIDSA-N	-1	0	290.706	3.021	20	30		CGEDRM
C#C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ccncc1	ZINC001223593444	816655773	/nfs/dbraw/zinc/65/57/73/816655773.db2.gz	KDORLMCYLLLJBB-JZYMCLRRSA-N	-1	0	286.718	3.262	20	30		CGEDRM
CCCCCCCC[C@H](C)OCCS(=O)(=O)[O-]	ZINC001224572329	816827996	/nfs/dbraw/zinc/82/79/96/816827996.db2.gz	SIGQHIOUOLGDGB-LBPRGKRZSA-N	-1	0	266.403	3.030	20	30		CGEDRM
CN(C)/C=N/c1ccc(-c2ccc(F)c([O-])c2)cc1C#N	ZINC001243062927	823232559	/nfs/dbraw/zinc/23/25/59/823232559.db2.gz	PJKKHOZQAQUDKC-VXLYETTFSA-N	-1	0	283.306	3.291	20	30		CGEDRM
C=C(C)C[C@@H](Oc1ccc(S(=O)(=O)[O-])cc1)C(=C)C	ZINC001225516748	817081028	/nfs/dbraw/zinc/08/10/28/817081028.db2.gz	FNZAZHNMUFYYJU-CQSZACIVSA-N	-1	0	282.361	3.223	20	30		CGEDRM
C[C@@H]1CC[C@H](C)[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008104	817247182	/nfs/dbraw/zinc/24/71/82/817247182.db2.gz	CZJMSCUVUGFGRT-VDDIYKPWSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(F)c1F	ZINC001226009542	817248321	/nfs/dbraw/zinc/24/83/21/817248321.db2.gz	YCATUEAJQQFMOX-ZETCQYMHSA-N	-1	0	294.232	3.216	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(=C)C	ZINC001226009392	817248636	/nfs/dbraw/zinc/24/86/36/817248636.db2.gz	WSXMRXRCDFXZIG-GFCCVEGCSA-N	-1	0	262.284	3.088	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[nH]c(=O)ncc1C(C)=O	ZINC001226237583	817305654	/nfs/dbraw/zinc/30/56/54/817305654.db2.gz	KNJXEOPTSYRGTI-VHRBIJSZSA-N	-1	0	290.363	3.145	20	30		CGEDRM
C[C@@H](Oc1nccc(/C=N/O)n1)c1ccccc1Cl	ZINC001226253876	817312382	/nfs/dbraw/zinc/31/23/82/817312382.db2.gz	NJYCPYJKLBQVFT-PTPOTIKZSA-N	-1	0	277.711	3.078	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1	ZINC001227270236	817614288	/nfs/dbraw/zinc/61/42/88/817614288.db2.gz	CYPKOUVPEXLISR-ZDUSSCGKSA-N	-1	0	281.315	3.360	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=S)nnc2C)C1	ZINC001227597366	817677470	/nfs/dbraw/zinc/67/74/70/817677470.db2.gz	BIAASCDZWYWPME-RYUDHWBXSA-N	-1	0	277.393	3.149	20	30		CGEDRM
C#C[C@H](CCCCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601751	817679389	/nfs/dbraw/zinc/67/93/89/817679389.db2.gz	GCLWTJRJNDJBFH-MRVPVSSYSA-N	-1	0	289.162	3.450	20	30		CGEDRM
C#C[C@@H](CCCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227606005	817680311	/nfs/dbraw/zinc/68/03/11/817680311.db2.gz	WAUNPYCOGPYEMA-ZETCQYMHSA-N	-1	0	275.135	3.060	20	30		CGEDRM
N#CC[C@@H](Oc1[n-]c(=O)nc2sccc21)c1ccccc1	ZINC001227843751	817731797	/nfs/dbraw/zinc/73/17/97/817731797.db2.gz	VFFSPDXLSQCZHX-GFCCVEGCSA-N	-1	0	297.339	3.431	20	30		CGEDRM
Cc1ccc(-c2cc(C3(C#N)CC3)ccn2)cc1C(=O)[O-]	ZINC001243194449	823284370	/nfs/dbraw/zinc/28/43/70/823284370.db2.gz	INIYJTPYPPESDP-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
COc1ccc(-c2ccc(C)c(C(=O)[O-])c2)cc1CC#N	ZINC001243195053	823284718	/nfs/dbraw/zinc/28/47/18/823284718.db2.gz	KQMDTYDBUXMQKY-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1ccc(-c2ccc3ncnc(C#N)c3c2)cc1C(=O)[O-]	ZINC001243197632	823286538	/nfs/dbraw/zinc/28/65/38/823286538.db2.gz	QDLBZHJBABRHGV-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227989290	817774939	/nfs/dbraw/zinc/77/49/39/817774939.db2.gz	KGXGGMOEPDGGRY-RNCFNFMXSA-N	-1	0	288.734	3.170	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ncnc2ccc(C#N)cc21	ZINC001243202084	823288736	/nfs/dbraw/zinc/28/87/36/823288736.db2.gz	JDQLLLJYRNQVCT-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])c(C)c2)c1	ZINC001243215216	823296415	/nfs/dbraw/zinc/29/64/15/823296415.db2.gz	ORELBVRMCJZHDX-UHFFFAOYSA-N	-1	0	251.285	3.127	20	30		CGEDRM
N#C[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232629034	818404583	/nfs/dbraw/zinc/40/45/83/818404583.db2.gz	ZPLPDEABGANFDD-VIFPVBQESA-N	-1	0	285.174	3.435	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1ccc([O-])c(F)c1F	ZINC001243338902	823352724	/nfs/dbraw/zinc/35/27/24/823352724.db2.gz	KEWDQGXNIAOHRS-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1C#N	ZINC001233919252	818729935	/nfs/dbraw/zinc/72/99/35/818729935.db2.gz	MUVHBZINJGLTEA-RFHZTLPTSA-N	-1	0	286.375	3.417	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N	ZINC001233919345	818730437	/nfs/dbraw/zinc/73/04/37/818730437.db2.gz	IDALKCKOKUWLIS-XHVZSJERSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919353	818730837	/nfs/dbraw/zinc/73/08/37/818730837.db2.gz	JEWDTHWXCLBKCG-GFCCVEGCSA-N	-1	0	260.337	3.481	20	30		CGEDRM
CCCCCCCC[C@H](C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939390	818736111	/nfs/dbraw/zinc/73/61/11/818736111.db2.gz	JFILYLPVICSKOL-NSHDSACASA-N	-1	0	292.383	3.164	20	30		CGEDRM
C=CC[C@H](Oc1cc(O)c(O)cc1C(C)=O)C(C)C	ZINC001234475079	818863355	/nfs/dbraw/zinc/86/33/55/818863355.db2.gz	CVOQGZMBZBWSAA-AWEZNQCLSA-N	-1	0	264.321	3.280	20	30		CGEDRM
Cc1cnc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001235027590	818983203	/nfs/dbraw/zinc/98/32/03/818983203.db2.gz	CPKNTNMTEQEJGH-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235078700	818996241	/nfs/dbraw/zinc/99/62/41/818996241.db2.gz	QYMRHSPTNCKJLW-WEVVVXLNSA-N	-1	0	264.284	3.027	20	30		CGEDRM
COc1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001235530642	819116487	/nfs/dbraw/zinc/11/64/87/819116487.db2.gz	CYAGXFHMAVQNPP-JXMROGBWSA-N	-1	0	279.295	3.332	20	30		CGEDRM
[O-]N=Cc1ccccc1-c1c(F)cc(F)c(O)c1F	ZINC001236000407	819268181	/nfs/dbraw/zinc/26/81/81/819268181.db2.gz	HNFLFIQCRZPKQR-UHFFFAOYSA-N	-1	0	267.206	3.285	20	30		CGEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC001236053143	819290233	/nfs/dbraw/zinc/29/02/33/819290233.db2.gz	BKBYSZUOUFCQRX-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1ccc2nccc(-c3ccc(C(=O)[O-])cc3)c2c1	ZINC001236060041	819293978	/nfs/dbraw/zinc/29/39/78/819293978.db2.gz	HTMKTUIRQZJTFI-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1ccc2cc(-c3ccc(C(=O)[O-])cc3)ccc2n1	ZINC001236063798	819296509	/nfs/dbraw/zinc/29/65/09/819296509.db2.gz	JZVBXYPJITVSAF-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
[O-]/N=C/c1cc(-c2cncc(O)c2)cc(C(F)(F)F)c1	ZINC001236584019	819545879	/nfs/dbraw/zinc/54/58/79/819545879.db2.gz	XVYAOLWQYLNCOH-BLLMUTORSA-N	-1	0	282.221	3.281	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(Cl)c([O-])c1)CCOC2	ZINC001243579957	823453643	/nfs/dbraw/zinc/45/36/43/823453643.db2.gz	YIOOULMWDTVYMU-UHFFFAOYSA-N	-1	0	286.718	3.052	20	30		CGEDRM
N#Cc1ccc(-c2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001243581379	823454402	/nfs/dbraw/zinc/45/44/02/823454402.db2.gz	ALSNOCWCWMTLHU-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])cc2F)c(C#N)c(C)c1C	ZINC001239254807	820241753	/nfs/dbraw/zinc/24/17/53/820241753.db2.gz	RPCDHBJWLYZCAX-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C#N)c2[nH]ccc21	ZINC001240736732	821288938	/nfs/dbraw/zinc/28/89/38/821288938.db2.gz	JMVPBVJARNAYGQ-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(-c2ccc(F)cc2CC#N)ccc1C(=O)[O-]	ZINC001240745190	821296850	/nfs/dbraw/zinc/29/68/50/821296850.db2.gz	VVDNXSZROKBAGT-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(C#N)c1	ZINC001241000413	821478709	/nfs/dbraw/zinc/47/87/09/821478709.db2.gz	FOKJEMFRMKKAHA-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccccc1[O-])CCCC2	ZINC001241007512	821484056	/nfs/dbraw/zinc/48/40/56/821484056.db2.gz	FCMKQHPUVBRXTM-UHFFFAOYSA-N	-1	0	250.301	3.205	20	30		CGEDRM
N#CCc1cccnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241345536	821749549	/nfs/dbraw/zinc/74/95/49/821749549.db2.gz	LTILMGXDLVGWKN-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1cnc2cc(-c3cccc(C(=O)[O-])c3)ccc2c1	ZINC001241360079	821761971	/nfs/dbraw/zinc/76/19/71/821761971.db2.gz	DCEFVLOWZGWBIU-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1ccc(-c2cccc(CC#N)c2F)cc1C(=O)[O-]	ZINC001241868964	822188254	/nfs/dbraw/zinc/18/82/54/822188254.db2.gz	VSUPWFWCJAVXCV-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(-c2cc(C)c(C#N)c(F)c2)cc1C(=O)[O-]	ZINC001241875130	822190770	/nfs/dbraw/zinc/19/07/70/822190770.db2.gz	UASCNEXVAIKMDR-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
COc1ccc(-c2ccc(CS)cc2)cc1C(=O)[O-]	ZINC001241879982	822191334	/nfs/dbraw/zinc/19/13/34/822191334.db2.gz	IQLKQOBJAZWGLY-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242157885	822899247	/nfs/dbraw/zinc/89/92/47/822899247.db2.gz	OADVQDNAPPWKIQ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2cccc(CC(=O)[O-])c2)[nH]1	ZINC001242262844	822929704	/nfs/dbraw/zinc/92/97/04/822929704.db2.gz	UNRIWAXWMAKKKD-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242264663	822930672	/nfs/dbraw/zinc/93/06/72/822930672.db2.gz	YCXMDIBOQYMMPF-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(F)c3[O-])nc2)CC1	ZINC001242349876	822960391	/nfs/dbraw/zinc/96/03/91/822960391.db2.gz	WRBYJVAZUOXAKU-UHFFFAOYSA-N	-1	0	254.264	3.148	20	30		CGEDRM
N#Cc1cc(-c2cccc(F)c2[O-])ncc1C(F)(F)F	ZINC001242349700	822960650	/nfs/dbraw/zinc/96/06/50/822960650.db2.gz	XPBJQMGSWHRTOT-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1cc(C(=O)[O-])ccc1OC	ZINC001242388306	822978425	/nfs/dbraw/zinc/97/84/25/822978425.db2.gz	GOINOAZPOGTGJC-UHFFFAOYSA-N	-1	0	283.327	3.492	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cc(C(=O)[O-])ccc1OC	ZINC001242390447	822978698	/nfs/dbraw/zinc/97/86/98/822978698.db2.gz	NNVPOXOKGQSXES-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)c(F)c1	ZINC001242392568	822979792	/nfs/dbraw/zinc/97/97/92/822979792.db2.gz	XKJPQOXQKYJMGW-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
CC(C)Sc1ccccc1C([O-])=C(C#N)c1nccn1C	ZINC001342275093	936464168	/nfs/dbraw/zinc/46/41/68/936464168.db2.gz	CRWYSLOWPCKRBG-ZDUSSCGKSA-N	-1	0	299.399	3.411	20	30		CGEDRM
Cc1oc(C(C)(C)C)cc1C([O-])=C(C#N)c1ccncn1	ZINC001345580388	936814870	/nfs/dbraw/zinc/81/48/70/936814870.db2.gz	PCXWRKCZEDJKGY-LBPRGKRZSA-N	-1	0	283.331	3.166	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1C1CC1)c1ncc(F)cc1F	ZINC001346762795	936860708	/nfs/dbraw/zinc/86/07/08/936860708.db2.gz	GVJOIUAQEDRXQS-LLVKDONJSA-N	-1	0	288.253	3.320	20	30		CGEDRM
Cc1oc(C)c(C([O-])=C(C#N)c2ncc(Cl)n2C)c1C	ZINC001349703400	936958912	/nfs/dbraw/zinc/95/89/12/936958912.db2.gz	XEZWENRJNMRLOJ-SNVBAGLBSA-N	-1	0	291.738	3.082	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cccc(F)c2[O-])cc1Cl	ZINC001352434426	937042951	/nfs/dbraw/zinc/04/29/51/937042951.db2.gz	GNZLQJZWKNSKKR-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)c1	ZINC001201574740	928280966	/nfs/dbraw/zinc/28/09/66/928280966.db2.gz	BCXCAXOMPLSYBG-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000206978748	928878006	/nfs/dbraw/zinc/87/80/06/928878006.db2.gz	QYOGUTDGMURORN-TWGQIWQCSA-N	-1	0	277.279	3.153	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(C(C)C)n1	ZINC001447055648	937367035	/nfs/dbraw/zinc/36/70/35/937367035.db2.gz	AOCDWBGUWLLTHB-UHFFFAOYSA-N	-1	0	295.342	3.343	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cnc3ccccc3c2)c1	ZINC001447063914	937367309	/nfs/dbraw/zinc/36/73/09/937367309.db2.gz	OOZBQSQVXXMTLT-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CCc1ccc([C@@H](C#N)NC(=O)c2cccc(F)c2[O-])cc1	ZINC001460644065	937538365	/nfs/dbraw/zinc/53/83/65/937538365.db2.gz	PHVOYSHCBYITMC-OAHLLOKOSA-N	-1	0	298.317	3.088	20	30		CGEDRM
Cc1ccc(OC(C)C)c(COc2[n-]c(=O)ccc2C#N)c1	ZINC001228902072	932049345	/nfs/dbraw/zinc/04/93/45/932049345.db2.gz	PIZRCBWKZLEPCD-UHFFFAOYSA-N	-1	0	298.342	3.334	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228913777	932050061	/nfs/dbraw/zinc/05/00/61/932050061.db2.gz	UENPKIYSNSMHIM-ZANVPECISA-N	-1	0	288.734	3.170	20	30		CGEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229407826	932148037	/nfs/dbraw/zinc/14/80/37/932148037.db2.gz	PVDZIWRBLDECQB-NSHDSACASA-N	-1	0	256.305	3.153	20	30		CGEDRM
COC(=O)C[C@H](C#N)c1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1	ZINC001230999190	932655466	/nfs/dbraw/zinc/65/54/66/932655466.db2.gz	ITQJPRXYYLSIED-XJKSGUPXSA-N	-1	0	296.346	3.325	20	30		CGEDRM
COC(=O)c1cccc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC001322547283	934313315	/nfs/dbraw/zinc/31/33/15/934313315.db2.gz	VVNRZNNMMKDRKG-KTKRTIGZSA-N	-1	0	282.295	3.075	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C/C=C/Cc2ccccc2)c1	ZINC001471086212	937761444	/nfs/dbraw/zinc/76/14/44/937761444.db2.gz	VINVNERQCAFUSD-SNAWJCMRSA-N	-1	0	292.338	3.157	20	30		CGEDRM
CCCCCCN(O)C(=O)c1ccc(Cl)cc1[O-]	ZINC001472619574	937778690	/nfs/dbraw/zinc/77/86/90/937778690.db2.gz	QUCPIPIDMKQQHT-UHFFFAOYSA-N	-1	0	271.744	3.457	20	30		CGEDRM
CC(C)c1occc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001520035564	938022627	/nfs/dbraw/zinc/02/26/27/938022627.db2.gz	CWZCZUDZAUROPK-SNVBAGLBSA-N	-1	0	291.738	3.280	20	30		CGEDRM
CCc1ncoc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC001524854744	938046352	/nfs/dbraw/zinc/04/63/52/938046352.db2.gz	AWPMGOBNKFUYCO-SECBINFHSA-N	-1	0	289.360	3.307	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1F	ZINC001535016283	938098558	/nfs/dbraw/zinc/09/85/58/938098558.db2.gz	KXBSNYGUZFNRIU-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001602719006	971380381	/nfs/dbraw/zinc/38/03/81/971380381.db2.gz	JWPAXWDBTZFFCT-UHFFFAOYSA-N	-1	0	289.375	3.415	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000393731692	951440227	/nfs/dbraw/zinc/44/02/27/951440227.db2.gz	BYBGISALDSKGLZ-JTQLQIEISA-N	-1	0	280.299	3.000	20	30		CGEDRM
N#Cc1ccc(F)c(CSc2ncccc2C(=O)[O-])c1	ZINC000019282548	957107094	/nfs/dbraw/zinc/10/70/94/957107094.db2.gz	UROFPDOARUPLEX-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NCC1(C(=O)[O-])CCCC1	ZINC000137843554	958940375	/nfs/dbraw/zinc/94/03/75/958940375.db2.gz	SUKXCJGASJBSSV-UHFFFAOYSA-N	-1	0	278.739	3.269	20	30		CGEDRM
CCCC[C@H](Sc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC001595657837	960537922	/nfs/dbraw/zinc/53/79/22/960537922.db2.gz	TUNKEPXAMZVVKA-LBPRGKRZSA-N	-1	0	294.332	3.202	20	30		CGEDRM
Cc1nsc(NC[C@H](C(=O)[O-])C2CCCCC2)c1C#N	ZINC001600819373	960543190	/nfs/dbraw/zinc/54/31/90/960543190.db2.gz	AVFVBYOWADCALJ-LBPRGKRZSA-N	-1	0	293.392	3.016	20	30		CGEDRM
C=C(CC)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21	ZINC001573325510	962798220	/nfs/dbraw/zinc/79/82/20/962798220.db2.gz	KVDXNTFOLUVINU-UHFFFAOYSA-N	-1	0	273.332	3.020	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@](C)(CCC)c1ccccc1	ZINC001573331976	962820023	/nfs/dbraw/zinc/82/00/23/962820023.db2.gz	GGBYFFCBOQANOU-KRWDZBQOSA-N	-1	0	289.375	3.239	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001573347825	962952909	/nfs/dbraw/zinc/95/29/09/962952909.db2.gz	OTRBLKYLZSJOKX-UHFFFAOYSA-N	-1	0	290.363	3.417	20	30		CGEDRM
C=CC1(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCCCC1	ZINC001573350512	962970310	/nfs/dbraw/zinc/97/03/10/962970310.db2.gz	IYVODEPPVRVMMQ-CYBMUJFWSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCN(OCc1ccccc1)[C@@H](CC=C)C(=O)[O-]	ZINC001573360112	963032248	/nfs/dbraw/zinc/03/22/48/963032248.db2.gz	HWAZCWHMFHWMMJ-HNNXBMFYSA-N	-1	0	275.348	3.026	20	30		CGEDRM
C=C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000304229718	963129166	/nfs/dbraw/zinc/12/91/66/963129166.db2.gz	RJKBKICPGRODDH-VIFPVBQESA-N	-1	0	262.252	3.437	20	30		CGEDRM
C=C(C)CCSCc1ccc(-c2nn[nH]n2)cc1F	ZINC001588425089	963266878	/nfs/dbraw/zinc/26/68/78/963266878.db2.gz	VVZZZQNEURRGBM-UHFFFAOYSA-N	-1	0	278.356	3.205	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1	ZINC001588516395	963277127	/nfs/dbraw/zinc/27/71/27/963277127.db2.gz	JRXGDIRAVVFIOZ-UHFFFAOYSA-N	-1	0	293.322	3.235	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC001588530163	963278532	/nfs/dbraw/zinc/27/85/32/963278532.db2.gz	SPXDKTUFQNOFAF-UHFFFAOYSA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=CCC1(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCC1	ZINC001588458768	963280616	/nfs/dbraw/zinc/28/06/16/963280616.db2.gz	YUYQVBNPGNNZJS-GJZGRUSLSA-N	-1	0	299.370	3.162	20	30		CGEDRM
C=C(C)CCc1noc(/C=C/c2ccc(C(=O)[O-])o2)n1	ZINC001588561540	963281221	/nfs/dbraw/zinc/28/12/21/963281221.db2.gz	JXAVPIHUHQYILC-VMPITWQZSA-N	-1	0	274.276	3.040	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1cccc2ccsc21)C(=O)[O-]	ZINC001588548315	963284410	/nfs/dbraw/zinc/28/44/10/963284410.db2.gz	PMHDPRMRKBRZFM-LBPRGKRZSA-N	-1	0	289.356	3.051	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588536998	963286334	/nfs/dbraw/zinc/28/63/34/963286334.db2.gz	WJWTUMNFAJLQSY-MRVPVSSYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C(C)CCNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001588558804	963288383	/nfs/dbraw/zinc/28/83/83/963288383.db2.gz	CXRUHPSGMNRECJ-UHFFFAOYSA-N	-1	0	294.376	3.194	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	ZINC001588624688	963289405	/nfs/dbraw/zinc/28/94/05/963289405.db2.gz	SIORCBXGGIUYKS-QEJZJMRPSA-N	-1	0	295.423	3.232	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1c(C)cccc1C(C)C	ZINC001588630625	963291647	/nfs/dbraw/zinc/29/16/47/963291647.db2.gz	UIYDTDYLFYRPAB-UHFFFAOYSA-N	-1	0	275.348	3.478	20	30		CGEDRM
C=C1CCC(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CC1	ZINC001588644178	963300155	/nfs/dbraw/zinc/30/01/55/963300155.db2.gz	GEECCNXLETUKKA-OAHLLOKOSA-N	-1	0	299.370	3.338	20	30		CGEDRM
C=CCC(C)(C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC001588736361	963311082	/nfs/dbraw/zinc/31/10/82/963311082.db2.gz	HYZBHYDJUVMLNU-UHFFFAOYSA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=CC[C@@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001588759584	963312543	/nfs/dbraw/zinc/31/25/43/963312543.db2.gz	XIEHVCZLRHNKQR-SNVBAGLBSA-N	-1	0	267.737	3.333	20	30		CGEDRM
C=CCC1(C(=O)OCCc2ccccc2C(=O)[O-])CCC1	ZINC001588765183	963312665	/nfs/dbraw/zinc/31/26/65/963312665.db2.gz	SQEAVXGFRABHID-UHFFFAOYSA-N	-1	0	288.343	3.217	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC001588789655	963315614	/nfs/dbraw/zinc/31/56/14/963315614.db2.gz	HIMYUSOCYWGXFN-RDBSUJKOSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)OCC1CCCCC1)C(=O)[O-]	ZINC001588794393	963315916	/nfs/dbraw/zinc/31/59/16/963315916.db2.gz	SFPRTQATCQRSPT-ZDUSSCGKSA-N	-1	0	283.368	3.102	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)C(C1CCC1)C1CCC1)C(=O)[O-]	ZINC001588786623	963317612	/nfs/dbraw/zinc/31/76/12/963317612.db2.gz	QHHNQRGTRCEYAG-CQSZACIVSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-]	ZINC001588782947	963317742	/nfs/dbraw/zinc/31/77/42/963317742.db2.gz	QGEJLCSYFIHQOX-UHFFFAOYSA-N	-1	0	291.347	3.467	20	30		CGEDRM
C[C@@H](CCC#N)CN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC001589011995	963338394	/nfs/dbraw/zinc/33/83/94/963338394.db2.gz	BUTGJAXEPOYULW-JSGCOSHPSA-N	-1	0	272.348	3.005	20	30		CGEDRM
Cc1nc(Oc2ccc(C(=O)[O-])cc2Cl)ccc1C#N	ZINC000312334739	963555164	/nfs/dbraw/zinc/55/51/64/963555164.db2.gz	AFNURJAMSNMBGY-UHFFFAOYSA-N	-1	0	288.690	3.406	20	30		CGEDRM
C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCCCC#N)cc1	ZINC001589504824	963995424	/nfs/dbraw/zinc/99/54/24/963995424.db2.gz	NJUHTJAWWGUINW-LBPRGKRZSA-N	-1	0	288.347	3.287	20	30		CGEDRM
CC(C)(C#N)CCCOc1cnc(Cl)cc1C(=O)[O-]	ZINC001589554843	963998437	/nfs/dbraw/zinc/99/84/37/963998437.db2.gz	QIAAOCVJEYJFHJ-UHFFFAOYSA-N	-1	0	282.727	3.142	20	30		CGEDRM
CC(C)(C#N)CC(=O)OCc1c(Cl)cccc1C(=O)[O-]	ZINC001589553469	964000633	/nfs/dbraw/zinc/00/06/33/964000633.db2.gz	AOJWMHUCKIMRGW-UHFFFAOYSA-N	-1	0	295.722	3.021	20	30		CGEDRM
CC(C)(C#N)CCSCc1nc(C(=O)[O-])cs1	ZINC001589554658	964001780	/nfs/dbraw/zinc/00/17/80/964001780.db2.gz	JTRZJZQVZRAGRW-UHFFFAOYSA-N	-1	0	270.379	3.014	20	30		CGEDRM
CCCCCCCCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001589645008	964010395	/nfs/dbraw/zinc/01/03/95/964010395.db2.gz	HWTPGXVSCRKUME-HJWRWDBZSA-N	-1	0	293.363	3.468	20	30		CGEDRM
C#CCCCCC(=O)OCc1cccc(C(=O)[O-])c1Cl	ZINC001588440825	964045097	/nfs/dbraw/zinc/04/50/97/964045097.db2.gz	SJRUQXRSGBQMGD-UHFFFAOYSA-N	-1	0	294.734	3.275	20	30		CGEDRM
N#CCc1ccc(COc2ccccc2C(=O)[O-])cc1	ZINC000399147898	968290317	/nfs/dbraw/zinc/29/03/17/968290317.db2.gz	XPSKWGIACYVRGJ-UHFFFAOYSA-N	-1	0	267.284	3.030	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC000393756252	972637119	/nfs/dbraw/zinc/63/71/19/972637119.db2.gz	HFZUVZHYFNZTMA-MRVPVSSYSA-N	-1	0	298.289	3.139	20	30		CGEDRM
C=C1CCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1	ZINC000396449347	972892224	/nfs/dbraw/zinc/89/22/24/972892224.db2.gz	QXKTUUCCYUWQOM-LBPRGKRZSA-N	-1	0	288.347	3.059	20	30		CGEDRM
N#Cc1ccc(F)cc1Oc1ccc(CC(=O)[O-])cc1	ZINC001605611158	973914555	/nfs/dbraw/zinc/91/45/55/973914555.db2.gz	IKJAIBREUQGYMG-UHFFFAOYSA-N	-1	0	271.247	3.117	20	30		CGEDRM
CC[C@H](CC#N)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl	ZINC001595030523	979167794	/nfs/dbraw/zinc/16/77/94/979167794.db2.gz	QTOPEOQWEFSJSH-SSDOTTSWSA-N	-1	0	297.698	3.051	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c1	ZINC001597145783	986908166	/nfs/dbraw/zinc/90/81/66/986908166.db2.gz	MMOZXAHBVWYFIK-VOTSOKGWSA-N	-1	0	286.283	3.273	20	30		CGEDRM
CC[C@@H](C#N)Sc1nc(C(F)(F)F)ccc1C(=O)[O-]	ZINC001594725159	987227206	/nfs/dbraw/zinc/22/72/06/987227206.db2.gz	NAJWZTNWFVBHKM-LURJTMIESA-N	-1	0	290.266	3.193	20	30		CGEDRM
CCCN=c1[n-]nc(SCc2ccc(C#N)s2)s1	ZINC000515500496	535004513	/nfs/dbraw/zinc/00/45/13/535004513.db2.gz	SIHIIXULOCCBKQ-UHFFFAOYSA-N	-1	0	296.446	3.007	20	30		CGEDRM
CC(C)C[C@H]1OCCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596197327	347397798	/nfs/dbraw/zinc/39/77/98/347397798.db2.gz	XSJWBZCOWQNWCN-MWLCHTKSSA-N	-1	0	299.827	3.096	20	30		CGEDRM
C[C@@H](CC#N)C(=O)Nc1ccc(C(C)(C)C)cc1O	ZINC000597624361	347585154	/nfs/dbraw/zinc/58/51/54/347585154.db2.gz	HSTLDLSOVHRTHG-JTQLQIEISA-N	-1	0	260.337	3.178	20	30		CGEDRM
C[C@H]1CN(c2cccc(C(F)F)c2C#N)CC[C@@H]1C(=O)[O-]	ZINC000600802107	347837720	/nfs/dbraw/zinc/83/77/20/347837720.db2.gz	SIIMXYOZWMTKSV-UWVGGRQHSA-N	-1	0	294.301	3.043	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1CCC#N	ZINC000601939254	347926592	/nfs/dbraw/zinc/92/65/92/347926592.db2.gz	MWKFSPOAQUKGPL-LBPRGKRZSA-N	-1	0	295.264	3.348	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000601744048	347911066	/nfs/dbraw/zinc/91/10/66/347911066.db2.gz	FXFIHCHCAWRGHF-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
CSc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1	ZINC000601934006	347925488	/nfs/dbraw/zinc/92/54/88/347925488.db2.gz	IHKKZDRPJSYDOA-ZDUSSCGKSA-N	-1	0	273.361	3.051	20	30		CGEDRM
Cc1cocc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000626466957	350309977	/nfs/dbraw/zinc/30/99/77/350309977.db2.gz	XHTBBBGEPQSGJH-SNVBAGLBSA-N	-1	0	272.329	3.412	20	30		CGEDRM
C=CCC1(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000630291310	350821157	/nfs/dbraw/zinc/82/11/57/350821157.db2.gz	AFLCKRPHENPGOQ-ZIAGYGMSSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-]	ZINC000630319497	350823208	/nfs/dbraw/zinc/82/32/08/350823208.db2.gz	BSBZRGPEFIEDTH-TUVASFSCSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCN(C(=O)[C@@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000634939226	351606547	/nfs/dbraw/zinc/60/65/47/351606547.db2.gz	DOLUYTCSLXRMNE-INIZCTEOSA-N	-1	0	275.348	3.097	20	30		CGEDRM
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1[O-]	ZINC000004277147	368541191	/nfs/dbraw/zinc/54/11/91/368541191.db2.gz	FMSBHAKDHXMYSB-MDZDMXLPSA-N	-1	0	269.256	3.197	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc(OC)cc2[O-])c1	ZINC000034746532	368978532	/nfs/dbraw/zinc/97/85/32/368978532.db2.gz	IXNMOBIPLWIWDF-TWGQIWQCSA-N	-1	0	284.311	3.306	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2CCCC2)c1	ZINC000046929223	369300101	/nfs/dbraw/zinc/30/01/01/369300101.db2.gz	SDVRSUBKXHSBMQ-UHFFFAOYSA-N	-1	0	281.377	3.139	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1C	ZINC000046929753	369300544	/nfs/dbraw/zinc/30/05/44/369300544.db2.gz	DJFPZTONWXHZSU-UHFFFAOYSA-N	-1	0	281.377	3.139	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)c3ccccc23)n1	ZINC000047358112	369313671	/nfs/dbraw/zinc/31/36/71/369313671.db2.gz	REYMSZYGZRHAHW-GFCCVEGCSA-N	-1	0	295.367	3.433	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)oc1C	ZINC000128573182	370964077	/nfs/dbraw/zinc/96/40/77/370964077.db2.gz	VMOLXJGRUDEPGZ-GFCCVEGCSA-N	-1	0	293.326	3.273	20	30		CGEDRM
C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(O)c1Cl	ZINC000293189793	372321051	/nfs/dbraw/zinc/32/10/51/372321051.db2.gz	HYIQHXDNWZJMMF-IUODEOHRSA-N	-1	0	281.783	3.116	20	30		CGEDRM
CCOCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000442647536	373061583	/nfs/dbraw/zinc/06/15/83/373061583.db2.gz	IRKCYHFNOYAPPA-UHFFFAOYSA-N	-1	0	296.326	3.053	20	30		CGEDRM
CC(C)c1nc(/C=C/c2ccc(C#N)s2)ncc1C(=O)[O-]	ZINC000176408307	373591250	/nfs/dbraw/zinc/59/12/50/373591250.db2.gz	SYURXQZSANSYFC-AATRIKPKSA-N	-1	0	299.355	3.402	20	30		CGEDRM
Cc1cnc([C@@H](NC(=O)c2csc(=O)[nH]2)C2CC2)s1	ZINC000329963188	374445687	/nfs/dbraw/zinc/44/56/87/374445687.db2.gz	TWQUFXQTRQCWCG-VIFPVBQESA-N	-1	0	295.389	3.070	20	30		CGEDRM
N#Cc1cscc1C(=O)Nc1ccc(Cl)cc1[O-]	ZINC000334400747	374718610	/nfs/dbraw/zinc/71/86/10/374718610.db2.gz	FZIPBIOUDQKEKA-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
Cc1ncoc1C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000335707578	375363638	/nfs/dbraw/zinc/36/36/38/375363638.db2.gz	ANRBWPAXEZDZHQ-UHFFFAOYSA-N	-1	0	287.344	3.047	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1	ZINC000190928339	375551192	/nfs/dbraw/zinc/55/11/92/375551192.db2.gz	IGLCYUCHBLIRGM-LLVKDONJSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1cnc2ccccc2n1	ZINC000190985677	375558665	/nfs/dbraw/zinc/55/86/65/375558665.db2.gz	RDOZMOPLZSVFAR-SECBINFHSA-N	-1	0	297.701	3.366	20	30		CGEDRM
N#Cc1ccsc1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000335957775	375571212	/nfs/dbraw/zinc/57/12/12/375571212.db2.gz	UAZHAMLILHNIGS-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccsn2)s1	ZINC000515423010	375812972	/nfs/dbraw/zinc/81/29/72/375812972.db2.gz	IARQKZKOZHTASH-QMMMGPOBSA-N	-1	0	291.401	3.387	20	30		CGEDRM
C=C(CC)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000539095730	376294983	/nfs/dbraw/zinc/29/49/83/376294983.db2.gz	VRYVIFDUTBUQAF-UHFFFAOYSA-N	-1	0	261.369	3.309	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)[nH]1	ZINC000642281476	380158119	/nfs/dbraw/zinc/15/81/19/380158119.db2.gz	JVBXGPIQSFUCIS-GFCCVEGCSA-N	-1	0	279.299	3.263	20	30		CGEDRM
CC(C)(C)c1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1	ZINC000354461114	380448301	/nfs/dbraw/zinc/44/83/01/380448301.db2.gz	GTMQXODZOWCILY-AWEZNQCLSA-N	-1	0	279.343	3.264	20	30		CGEDRM
CC(C)(CCC#N)CN=c1nc(C2CCCC2)[n-]s1	ZINC000420621988	380856672	/nfs/dbraw/zinc/85/66/72/380856672.db2.gz	CXNQYOJDGRTCDV-UHFFFAOYSA-N	-1	0	278.425	3.359	20	30		CGEDRM
C=C(CC)CSc1nc(O)cc(=O)n1C1CCCC1	ZINC000358662847	381322391	/nfs/dbraw/zinc/32/23/91/381322391.db2.gz	HZPSXFYVOVGAMH-UHFFFAOYSA-N	-1	0	280.393	3.122	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3[nH]ccc3s2)n1	ZINC000361646934	381857736	/nfs/dbraw/zinc/85/77/36/381857736.db2.gz	JFPLCBHQORFHBB-QMMMGPOBSA-N	-1	0	287.369	3.484	20	30		CGEDRM
C[C@@]1(C([O-])=Nc2nc3ccsc3s2)CCOC1	ZINC000329437523	392680768	/nfs/dbraw/zinc/68/07/68/392680768.db2.gz	MGJNVDVQXBXDMO-LLVKDONJSA-N	-1	0	268.363	3.372	20	30		CGEDRM
CCCC[C@H](Nc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000517717442	392869460	/nfs/dbraw/zinc/86/94/60/392869460.db2.gz	ULTYPWFBDJBSLA-AWEZNQCLSA-N	-1	0	283.331	3.162	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1	ZINC000084919987	287081627	/nfs/dbraw/zinc/08/16/27/287081627.db2.gz	XVFRHIBZRZGZTC-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2nccs2)s1	ZINC000684674066	544024547	/nfs/dbraw/zinc/02/45/47/544024547.db2.gz	DTLRLGMVUNBXRY-MRVPVSSYSA-N	-1	0	291.401	3.387	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N(CCC(=O)[O-])Cc1ccccc1	ZINC000685018711	544052723	/nfs/dbraw/zinc/05/27/23/544052723.db2.gz	JPYRCJSJYFMCOH-AWEZNQCLSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000659165986	418962868	/nfs/dbraw/zinc/96/28/68/418962868.db2.gz	DZFOWHSEVADAGF-KBXIAJHMSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	ZINC000659169985	418963382	/nfs/dbraw/zinc/96/33/82/418963382.db2.gz	ODBXXYSOXJQXLA-SLTAFYQDSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CCCC1(CNC(=O)NCCCCC(=O)[O-])CCCC1	ZINC000659407336	418983693	/nfs/dbraw/zinc/98/36/93/418983693.db2.gz	GSYMWTQHKOMZDS-UHFFFAOYSA-N	-1	0	296.411	3.067	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1	ZINC000076756417	260166799	/nfs/dbraw/zinc/16/67/99/260166799.db2.gz	XDSFSCUTLUBOQW-DGCLKSJQSA-N	-1	0	295.404	3.467	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C(C)C)n1	ZINC000041516900	263286976	/nfs/dbraw/zinc/28/69/76/263286976.db2.gz	UFQMNXXTFKBRDQ-SNVBAGLBSA-N	-1	0	289.360	3.361	20	30		CGEDRM
Cc1nc(CC(C)C)sc1C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000330682094	264002955	/nfs/dbraw/zinc/00/29/55/264002955.db2.gz	PRNKTQRHBGCBOU-NSHDSACASA-N	-1	0	298.408	3.064	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C	ZINC000192901363	277783023	/nfs/dbraw/zinc/78/30/23/277783023.db2.gz	ANCHUAHONALMJW-ZFWWWQNUSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc21	ZINC000190734063	279709345	/nfs/dbraw/zinc/70/93/45/279709345.db2.gz	IRIRUDFHEQAEOI-LBPRGKRZSA-N	-1	0	292.338	3.418	20	30		CGEDRM
C=CCn1c(SCC[C@@H]2CCC[C@@H](C)C2)n[n-]c1=N	ZINC000531793592	328034781	/nfs/dbraw/zinc/03/47/81/328034781.db2.gz	CWUOSVVSFVZEGE-NEPJUHHUSA-N	-1	0	280.441	3.185	20	30		CGEDRM
CCOc1ccc(-c2cccc(C(=O)[O-])c2)cc1C#N	ZINC000565036554	322056032	/nfs/dbraw/zinc/05/60/32/322056032.db2.gz	YAZOFFDDLFZKPP-UHFFFAOYSA-N	-1	0	267.284	3.322	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)NCCCCCCCC(=O)[O-]	ZINC000281295311	328498726	/nfs/dbraw/zinc/49/87/26/328498726.db2.gz	GCYYGVDIWQNGPW-ZDUSSCGKSA-N	-1	0	269.385	3.130	20	30		CGEDRM
N#Cc1ccc(CN=c2nc(C3CCCC3)[n-]s2)s1	ZINC000582234580	328834080	/nfs/dbraw/zinc/83/40/80/328834080.db2.gz	NRCABMNDCCLKCX-UHFFFAOYSA-N	-1	0	290.417	3.163	20	30		CGEDRM
C=CCC[C@@H](NC(=O)C[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262879391	330036148	/nfs/dbraw/zinc/03/61/48/330036148.db2.gz	KJNJAWPUCGJQGS-UKRRQHHQSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCC1	ZINC000263259472	330050815	/nfs/dbraw/zinc/05/08/15/330050815.db2.gz	UNONOUSMSIXZLW-UHFFFAOYSA-N	-1	0	291.322	3.138	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000439458505	330738558	/nfs/dbraw/zinc/73/85/58/330738558.db2.gz	DRPCGWCXBJNOKV-CQSZACIVSA-N	-1	0	296.374	3.042	20	30		CGEDRM
CSc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000453586433	331135005	/nfs/dbraw/zinc/13/50/05/331135005.db2.gz	UVAPGYBTJNKUJA-CQSZACIVSA-N	-1	0	297.383	3.305	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C)cc2C)n1	ZINC000175082881	335173237	/nfs/dbraw/zinc/17/32/37/335173237.db2.gz	GBFNIDCFOWDBEE-SNVBAGLBSA-N	-1	0	260.318	3.151	20	30		CGEDRM
C=CCCC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000262244715	534624326	/nfs/dbraw/zinc/62/43/26/534624326.db2.gz	WLPQMQAWBPSURE-OAHLLOKOSA-N	-1	0	295.766	3.112	20	30		CGEDRM
C=CCCC(=O)Nc1cccc(CSCCC(=O)[O-])c1	ZINC000238211374	534626762	/nfs/dbraw/zinc/62/67/62/534626762.db2.gz	DBLMAMHAYMZZRL-UHFFFAOYSA-N	-1	0	293.388	3.299	20	30		CGEDRM
Cc1csc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000727653738	571761061	/nfs/dbraw/zinc/76/10/61/571761061.db2.gz	YNADZGSARLROAR-VYJZUSIPSA-N	-1	0	291.332	3.245	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCc1ccc(OCC#N)cc1	ZINC000738539770	571847821	/nfs/dbraw/zinc/84/78/21/571847821.db2.gz	HFRSGESOGHAZNC-UHFFFAOYSA-N	-1	0	297.310	3.175	20	30		CGEDRM
Cc1c(C(=O)/C=C/c2cccc(O)c2)c(C#N)c2n1CCC2	ZINC000730084789	571948229	/nfs/dbraw/zinc/94/82/29/571948229.db2.gz	HMXRPGJCOHFMDQ-BQYQJAHWSA-N	-1	0	292.338	3.216	20	30		CGEDRM
CC(=NNc1ccnc2ccccc21)c1ccc(O)c(F)c1	ZINC000730147647	571951251	/nfs/dbraw/zinc/95/12/51/571951251.db2.gz	HFUDNGKYFULLLG-UHFFFAOYSA-N	-1	0	295.317	3.338	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730148874	571951832	/nfs/dbraw/zinc/95/18/32/571951832.db2.gz	OBAMKAFUCFCHGQ-DAXSKMNVSA-N	-1	0	288.324	3.351	20	30		CGEDRM
N#Cc1cc(F)ccc1COc1cccc(NC(=O)[O-])c1	ZINC000738424827	572375777	/nfs/dbraw/zinc/37/57/77/572375777.db2.gz	DQZQPNFLWJSRKJ-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
Cc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738736723	572390384	/nfs/dbraw/zinc/39/03/84/572390384.db2.gz	TXQIHDHHDCNEQH-HNNXBMFYSA-N	-1	0	266.300	3.105	20	30		CGEDRM
Cc1ccsc1C(=O)/C=C\c1ccoc1C(=O)[O-]	ZINC000738799875	572393447	/nfs/dbraw/zinc/39/34/47/572393447.db2.gz	KGJZDKVDUJKSHV-IHWYPQMZSA-N	-1	0	262.286	3.244	20	30		CGEDRM
O=C([O-])C1CCC(/N=C/c2cc(Cl)ccc2O)CC1	ZINC000739560532	572420160	/nfs/dbraw/zinc/42/01/60/572420160.db2.gz	OXTXHGNTXUWMBZ-LZYBPNLTSA-N	-1	0	281.739	3.108	20	30		CGEDRM
COc1cccc(C=Nc2ccc(NC(=O)[O-])cc2)c1O	ZINC000739951360	572427821	/nfs/dbraw/zinc/42/78/21/572427821.db2.gz	TZARTTPERBBSFM-UHFFFAOYSA-N	-1	0	286.287	3.241	20	30		CGEDRM
O=C([O-])c1ccc(C/N=C/c2c(O)ccc3ccccc32)o1	ZINC000740125512	572433115	/nfs/dbraw/zinc/43/31/15/572433115.db2.gz	ITJSURDSBBXROV-VCHYOVAHSA-N	-1	0	295.294	3.456	20	30		CGEDRM
CC(C)c1ocnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000732496516	572468779	/nfs/dbraw/zinc/46/87/79/572468779.db2.gz	XIAZXALPEOZWPN-SNVBAGLBSA-N	-1	0	295.298	3.429	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cn1	ZINC000732714198	572478669	/nfs/dbraw/zinc/47/86/69/572478669.db2.gz	NSVJLUINFKNRSJ-ONEGZZNKSA-N	-1	0	290.344	3.120	20	30		CGEDRM
C=CCCCOC(=O)c1cccc(Br)c1O	ZINC000735534908	572728704	/nfs/dbraw/zinc/72/87/04/572728704.db2.gz	VSOYDBSIVWQWRH-UHFFFAOYSA-N	-1	0	285.137	3.278	20	30		CGEDRM
CC(C)(C)CCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736252038	572777345	/nfs/dbraw/zinc/77/73/45/572777345.db2.gz	XTIYHWUUAQUHKH-AWEZNQCLSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C/C(=C/C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(F)c1	ZINC000748412234	572976412	/nfs/dbraw/zinc/97/64/12/572976412.db2.gz	NUYKAPHSQXQJMD-XFFZJAGNSA-N	-1	0	296.301	3.445	20	30		CGEDRM
COCCON=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000748791274	572984189	/nfs/dbraw/zinc/98/41/89/572984189.db2.gz	IJUYSWZQABAHSQ-UHFFFAOYSA-N	-1	0	278.135	3.086	20	30		CGEDRM
O=C([O-])COc1ccc(/C=C/C(=O)c2ccsc2)cc1	ZINC000749104052	572989157	/nfs/dbraw/zinc/98/91/57/572989157.db2.gz	IVMAFQXPIYLXSU-ZZXKWVIFSA-N	-1	0	288.324	3.108	20	30		CGEDRM
CC(=NNc1cccc(C)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749603083	573022534	/nfs/dbraw/zinc/02/25/34/573022534.db2.gz	FLDDWDFLCYGCPG-UHFFFAOYSA-N	-1	0	285.303	3.445	20	30		CGEDRM
C=CCCOc1ccc(C(=O)[O-])cc1Br	ZINC000169259148	600515399	/nfs/dbraw/zinc/51/53/99/600515399.db2.gz	ZYHSQPXXELYMKY-UHFFFAOYSA-N	-1	0	271.110	3.102	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1COc1c(C)cc(C#N)cc1C	ZINC000088153353	600804726	/nfs/dbraw/zinc/80/47/26/600804726.db2.gz	MNRMQHCXRPNCNW-UHFFFAOYSA-N	-1	0	285.299	3.354	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccccc2C(F)(F)F)c1=O	ZINC000899346121	620645471	/nfs/dbraw/zinc/64/54/71/620645471.db2.gz	BYQBPTGBWKOUCO-JTQLQIEISA-N	-1	0	280.249	3.067	20	30		CGEDRM
Cc1ccc(NCCOc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC000832951943	601302026	/nfs/dbraw/zinc/30/20/26/601302026.db2.gz	PBDGKCNNPYXHEC-UHFFFAOYSA-N	-1	0	296.326	3.056	20	30		CGEDRM
Cc1ccc(NCCOc2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000832951093	601302605	/nfs/dbraw/zinc/30/26/05/601302605.db2.gz	COKHJFOQPPDCAI-UHFFFAOYSA-N	-1	0	296.326	3.056	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)s1	ZINC000830229286	601330760	/nfs/dbraw/zinc/33/07/60/601330760.db2.gz	PNGDNZPAOVAXPT-QPJJXVBHSA-N	-1	0	275.329	3.233	20	30		CGEDRM
CCCCCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829356670	601348962	/nfs/dbraw/zinc/34/89/62/601348962.db2.gz	GIUYLBUPJHLGEC-HNNXBMFYSA-N	-1	0	289.331	3.198	20	30		CGEDRM
C=C(C)CS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000825647147	601356095	/nfs/dbraw/zinc/35/60/95/601356095.db2.gz	FTJYOSZYKYFVJY-SNVBAGLBSA-N	-1	0	281.377	3.210	20	30		CGEDRM
Cc1ccccc1C=NOCc1ccc(C(=O)[O-])c(F)c1	ZINC000832977547	601629159	/nfs/dbraw/zinc/62/91/59/601629159.db2.gz	NDLCYPXVDAIMKJ-UHFFFAOYSA-N	-1	0	287.290	3.383	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2F)o1	ZINC000833311712	601826020	/nfs/dbraw/zinc/82/60/20/601826020.db2.gz	BNSLOQNYRXQDOL-ALCCZGGFSA-N	-1	0	260.220	3.013	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000109061793	602004693	/nfs/dbraw/zinc/00/46/93/602004693.db2.gz	MTBSMVQAYUFGKS-OAHLLOKOSA-N	-1	0	269.385	3.060	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000825660139	602155377	/nfs/dbraw/zinc/15/53/77/602155377.db2.gz	VCAAEUHGSJXMBM-UHFFFAOYSA-N	-1	0	289.331	3.100	20	30		CGEDRM
N#Cc1cccc(S[C@H](C(=O)[O-])c2ccccc2)c1	ZINC000833075249	602290710	/nfs/dbraw/zinc/29/07/10/602290710.db2.gz	OXKQCSZFPFUAJD-AWEZNQCLSA-N	-1	0	269.325	3.476	20	30		CGEDRM
N#Cc1cc(F)ccc1NC[C@H](NC(=O)[O-])c1ccccc1	ZINC000831117920	603201804	/nfs/dbraw/zinc/20/18/04/603201804.db2.gz	HYWSFLUHPUFYAV-HNNXBMFYSA-N	-1	0	299.305	3.118	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cccc(C)c2Cl)c1=O	ZINC000899361876	620666618	/nfs/dbraw/zinc/66/66/18/620666618.db2.gz	FDWZKUHUZNYAKM-NSHDSACASA-N	-1	0	260.724	3.010	20	30		CGEDRM
CC(=NO[C@@H]1CCCCO1)[C@H](C)CCCCC(=O)[O-]	ZINC000814887661	604548153	/nfs/dbraw/zinc/54/81/53/604548153.db2.gz	QGZXVTXKCLOGJZ-BXUZGUMPSA-N	-1	0	271.357	3.187	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C)cc1C(=O)[O-])OCC	ZINC000833367699	604554041	/nfs/dbraw/zinc/55/40/41/604554041.db2.gz	RMTLUVBRNYPQKG-AWEZNQCLSA-N	-1	0	291.347	3.003	20	30		CGEDRM
CC(N=Nc1ccccn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814732082	604634796	/nfs/dbraw/zinc/63/47/96/604634796.db2.gz	WSNFRFSOAKXZKX-NSHDSACASA-N	-1	0	263.341	3.151	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])cn2)c2ccccc21	ZINC000763370587	604666803	/nfs/dbraw/zinc/66/68/03/604666803.db2.gz	RWVRCVHJKIBOHF-UHFFFAOYSA-N	-1	0	295.342	3.277	20	30		CGEDRM
C[C@H]1CC(C)(C)CCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371934	604669210	/nfs/dbraw/zinc/66/92/10/604669210.db2.gz	MVOKZDDNFCRTGL-JTQLQIEISA-N	-1	0	275.352	3.394	20	30		CGEDRM
CC(C)(C)C1=CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000833426233	604769350	/nfs/dbraw/zinc/76/93/50/604769350.db2.gz	IQFWCBDHIAMXII-INIZCTEOSA-N	-1	0	298.386	3.362	20	30		CGEDRM
C=CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000833373114	604872600	/nfs/dbraw/zinc/87/26/00/604872600.db2.gz	GECVHOYXWBROEF-CYBMUJFWSA-N	-1	0	299.729	3.077	20	30		CGEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21	ZINC000828410413	604961419	/nfs/dbraw/zinc/96/14/19/604961419.db2.gz	BGZZHBKYFCAUEX-SJKOYZFVSA-N	-1	0	292.338	3.308	20	30		CGEDRM
C[C@@H]1C/C(=C/c2c[nH]c(C(=O)[O-])c2)C(=O)c2ccccc21	ZINC000833590056	605052213	/nfs/dbraw/zinc/05/22/13/605052213.db2.gz	YPHRYRSZZGLOSG-VPMLRQHESA-N	-1	0	281.311	3.486	20	30		CGEDRM
C=CCOc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000812445048	605098424	/nfs/dbraw/zinc/09/84/24/605098424.db2.gz	LKYMKYVUYIHJRO-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
C=CCC[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1CC1	ZINC000833373136	605118024	/nfs/dbraw/zinc/11/80/24/605118024.db2.gz	GYWZACLOKXWQCX-MJBXVCDLSA-N	-1	0	280.364	3.165	20	30		CGEDRM
C[C@H]1C[C@@H]1CN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605826	605156656	/nfs/dbraw/zinc/15/66/56/605156656.db2.gz	TUPNGXGMHYJKRY-JGVFFNPUSA-N	-1	0	252.701	3.092	20	30		CGEDRM
O=C([O-])NC1(C/N=C\c2c(O)ccc3ccccc32)CCC1	ZINC000834153812	606071313	/nfs/dbraw/zinc/07/13/13/606071313.db2.gz	FIUPRXRTGXEGSQ-ZDLGFXPLSA-N	-1	0	298.342	3.155	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899830551	620731408	/nfs/dbraw/zinc/73/14/08/620731408.db2.gz	KQRQMOVBJFLJRF-HUUCEWRRSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C#Cc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cc1	ZINC000899855037	620732097	/nfs/dbraw/zinc/73/20/97/620732097.db2.gz	AAXQPVGBLQELKY-QGZVFWFLSA-N	-1	0	287.359	3.134	20	30		CGEDRM
C=CCCCC(=O)NCc1cccc(Cl)c1O	ZINC000890760225	617816290	/nfs/dbraw/zinc/81/62/90/617816290.db2.gz	KVZHIKLVMBZHFI-UHFFFAOYSA-N	-1	0	253.729	3.018	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCCn1cccn1	ZINC000255074141	617904868	/nfs/dbraw/zinc/90/48/68/617904868.db2.gz	RCFJXOQVDQLMSV-SXGWCWSVSA-N	-1	0	298.173	3.405	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(CC(=O)[O-])C(C)C)c1	ZINC000900355194	620781925	/nfs/dbraw/zinc/78/19/25/620781925.db2.gz	HNSHPKBQVGMSNN-UHFFFAOYSA-N	-1	0	276.336	3.047	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](C/C=C/C)C(=O)[O-])c1	ZINC000900355994	620782229	/nfs/dbraw/zinc/78/22/29/620782229.db2.gz	YEFWBLXEBSKXNO-NNTXTVRGSA-N	-1	0	288.347	3.261	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077881681	618218040	/nfs/dbraw/zinc/21/80/40/618218040.db2.gz	QIQGEOLJBGSJKM-LLVKDONJSA-N	-1	0	267.350	3.000	20	30		CGEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000176815426	618739884	/nfs/dbraw/zinc/73/98/84/618739884.db2.gz	ZKCHKCFWEFZICC-LBPRGKRZSA-N	-1	0	280.327	3.396	20	30		CGEDRM
CCCCSCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176828833	618742376	/nfs/dbraw/zinc/74/23/76/618742376.db2.gz	JIPDVJNMRFJKSZ-UHFFFAOYSA-N	-1	0	278.377	3.126	20	30		CGEDRM
CC[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179739540	618799797	/nfs/dbraw/zinc/79/97/97/618799797.db2.gz	ZZOPUWISNYBFNJ-CQSZACIVSA-N	-1	0	280.327	3.396	20	30		CGEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1	ZINC000255893445	618865014	/nfs/dbraw/zinc/86/50/14/618865014.db2.gz	XDEYMNHMHZFUCD-TWGQIWQCSA-N	-1	0	275.304	3.463	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCCn1cccn1	ZINC000075691745	619197888	/nfs/dbraw/zinc/19/78/88/619197888.db2.gz	RCFJXOQVDQLMSV-CXUHLZMHSA-N	-1	0	298.173	3.405	20	30		CGEDRM
C=CCCCCCCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000261698442	619355545	/nfs/dbraw/zinc/35/55/45/619355545.db2.gz	NWUMRYMAONECRT-UHFFFAOYSA-N	-1	0	296.411	3.066	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518310	619502359	/nfs/dbraw/zinc/50/23/59/619502359.db2.gz	ZTSCCNXUYGBZAW-ZHACJKMWSA-N	-1	0	267.350	3.134	20	30		CGEDRM
COCCCNN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000794542351	619759595	/nfs/dbraw/zinc/75/95/95/619759595.db2.gz	FHJSYZSQARFLAY-UHFFFAOYSA-N	-1	0	291.178	3.049	20	30		CGEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000896504240	620019115	/nfs/dbraw/zinc/01/91/15/620019115.db2.gz	DEXLVYDTKGVJEU-SECBINFHSA-N	-1	0	285.174	3.435	20	30		CGEDRM
Cc1cc(F)ccc1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000750938150	620093980	/nfs/dbraw/zinc/09/39/80/620093980.db2.gz	CMCPLNKZVVBEHA-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CC3(C2)CCCC3)cc1	ZINC000901262097	620849558	/nfs/dbraw/zinc/84/95/58/620849558.db2.gz	UHVQPUTUDXJWNF-UHFFFAOYSA-N	-1	0	272.348	3.436	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1	ZINC000901304911	620852055	/nfs/dbraw/zinc/85/20/55/620852055.db2.gz	WIIWDXRGDPWREG-QDMKHBRRSA-N	-1	0	298.427	3.333	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNC1CCC(F)(F)CC1	ZINC000901340201	620857407	/nfs/dbraw/zinc/85/74/07/620857407.db2.gz	BNWNTSLCLBWLJZ-VHSXEESVSA-N	-1	0	288.338	3.031	20	30		CGEDRM
C[C@@H]1C(N=Nc2cc(F)ccc2F)CC[C@H]1CC(=O)[O-]	ZINC000901321241	620860539	/nfs/dbraw/zinc/86/05/39/620860539.db2.gz	VXNGZOAPFJASCK-IUCAKERBSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C#Cc1cccc(N[C@H](C)CC(C)(C)CC(=O)[O-])c1	ZINC000901449216	620890420	/nfs/dbraw/zinc/89/04/20/620890420.db2.gz	IJJWRMHXLPDPCY-GFCCVEGCSA-N	-1	0	259.349	3.359	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2c([O-])cccc2F)c1C	ZINC000901561402	620929392	/nfs/dbraw/zinc/92/93/92/620929392.db2.gz	QWZMTPAYKLYTPX-CMDGGOBGSA-N	-1	0	288.322	3.261	20	30		CGEDRM
N#CC1CCC(CN2CC[C@H](C(=O)[O-])c3ccccc32)CC1	ZINC000903403879	621741346	/nfs/dbraw/zinc/74/13/46/621741346.db2.gz	AADHHLNHCHBQAG-XUJLQICISA-N	-1	0	298.386	3.395	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000907582079	622302328	/nfs/dbraw/zinc/30/23/28/622302328.db2.gz	OUFQRAMTTCTKCN-MQGYJPLLSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000907627346	622304151	/nfs/dbraw/zinc/30/41/51/622304151.db2.gz	WHIYQINACHHPIO-ZDUSSCGKSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000907818756	622313164	/nfs/dbraw/zinc/31/31/64/622313164.db2.gz	OGTRQGADRGVQQM-SNVBAGLBSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000909067387	622388888	/nfs/dbraw/zinc/38/88/88/622388888.db2.gz	RMGIZVDIMVZMQH-WFASDCNBSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910297593	622474338	/nfs/dbraw/zinc/47/43/38/622474338.db2.gz	DVNOWRZOIPSHJN-JJRVBVJISA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cccc(F)c1Cl)C(=O)[O-]	ZINC000910915022	622508649	/nfs/dbraw/zinc/50/86/49/622508649.db2.gz	SFBQXRGSLMNCSE-NSHDSACASA-N	-1	0	299.729	3.018	20	30		CGEDRM
CCCON=C(C)CCc1ccc(OCCC(=O)[O-])cc1	ZINC000842551708	625582742	/nfs/dbraw/zinc/58/27/42/625582742.db2.gz	TZHVFWODGFFDAK-UHFFFAOYSA-N	-1	0	293.363	3.275	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccccc1[O-]	ZINC000156606811	622826901	/nfs/dbraw/zinc/82/69/01/622826901.db2.gz	KOPYMNMNXOPWSY-CMDGGOBGSA-N	-1	0	270.332	3.309	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1[N+](=O)[O-]	ZINC000156607987	622827414	/nfs/dbraw/zinc/82/74/14/622827414.db2.gz	GMAROLWNHNVVFN-SOFGYWHQSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1cc(F)ccc1[O-]	ZINC000156676253	622833653	/nfs/dbraw/zinc/83/36/53/622833653.db2.gz	HWQRIAQSACWTPE-GQCTYLIASA-N	-1	0	288.322	3.448	20	30		CGEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C)C(F)(F)F	ZINC000834998148	623845957	/nfs/dbraw/zinc/84/59/57/623845957.db2.gz	CQPJSCZJEHGQTP-XHNCKOQMSA-N	-1	0	294.317	3.040	20	30		CGEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C#N)cc1	ZINC000915112644	623898040	/nfs/dbraw/zinc/89/80/40/623898040.db2.gz	BQGLWEBDUBIKQL-TZQXVGBESA-N	-1	0	295.298	3.352	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NN[C@H]1CCCC1(C)C	ZINC000814917711	623960553	/nfs/dbraw/zinc/96/05/53/623960553.db2.gz	PEYFRKGQPXIWKR-MDZLAQPJSA-N	-1	0	266.385	3.032	20	30		CGEDRM
Cc1ccccc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000916157621	624118542	/nfs/dbraw/zinc/11/85/42/624118542.db2.gz	QIPCZKNSENRMKN-KTKRTIGZSA-N	-1	0	296.322	3.355	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@H]3CCCC[C@@H]3C2)n1	ZINC000916241426	624123512	/nfs/dbraw/zinc/12/35/12/624123512.db2.gz	AIYIXTPWCOBKAG-VXGBXAGGSA-N	-1	0	274.368	3.249	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC2CCCCC2)c1	ZINC000920945738	624556011	/nfs/dbraw/zinc/55/60/11/624556011.db2.gz	CDAXUBBRTLLDQE-GDNBJRDFSA-N	-1	0	262.309	3.300	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C1CCOCC1	ZINC000077552309	625962890	/nfs/dbraw/zinc/96/28/90/625962890.db2.gz	RQZHOGAADYKGLF-VIZOYTHASA-N	-1	0	274.147	3.297	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1	ZINC000073837753	626070329	/nfs/dbraw/zinc/07/03/29/626070329.db2.gz	KOBAFXYEBSTRPA-UHFFFAOYSA-N	-1	0	297.420	3.439	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1Cl	ZINC000073837617	626070550	/nfs/dbraw/zinc/07/05/50/626070550.db2.gz	NVSSNJQVTILRAO-UHFFFAOYSA-N	-1	0	289.784	3.163	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000923063319	626127925	/nfs/dbraw/zinc/12/79/25/626127925.db2.gz	QZMITHSRNJYUEG-QGZVFWFLSA-N	-1	0	298.342	3.106	20	30		CGEDRM
CCc1ccc(C(C)=NNc2ccccc2C(=O)[O-])o1	ZINC000752162842	626420474	/nfs/dbraw/zinc/42/04/74/626420474.db2.gz	IBLDMAQIXRZXKC-UHFFFAOYSA-N	-1	0	272.304	3.376	20	30		CGEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000757467743	626780280	/nfs/dbraw/zinc/78/02/80/626780280.db2.gz	JGPXVAAROAYILP-XQRVVYSFSA-N	-1	0	276.723	3.282	20	30		CGEDRM
CN(C)c1ccc(/C=C\C(=O)c2ccccc2[O-])cc1F	ZINC000757476690	626782451	/nfs/dbraw/zinc/78/24/51/626782451.db2.gz	YNQQDNNZJSPFFR-NTMALXAHSA-N	-1	0	285.318	3.493	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NOCC(F)F)cc1Cl	ZINC000758903969	626864966	/nfs/dbraw/zinc/86/49/66/626864966.db2.gz	QSUQNJBOQDJKDO-UHFFFAOYSA-N	-1	0	270.062	3.315	20	30		CGEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)cnc1Cl	ZINC000760216300	626944916	/nfs/dbraw/zinc/94/49/16/626944916.db2.gz	PKKIVEQHXCJJIE-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CC23CCCC3)c1	ZINC000760989678	627007727	/nfs/dbraw/zinc/00/77/27/627007727.db2.gz	DVRMMQNURKKVBZ-NCPSJORJSA-N	-1	0	260.293	3.052	20	30		CGEDRM
CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)[O-])c1	ZINC000764659562	627216738	/nfs/dbraw/zinc/21/67/38/627216738.db2.gz	WYIPFZQQKQNHSA-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)CCC1CC1	ZINC000768784187	627498718	/nfs/dbraw/zinc/49/87/18/627498718.db2.gz	MVGQATUVWZDVEW-UHFFFAOYSA-N	-1	0	276.336	3.371	20	30		CGEDRM
CC(=NN[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1[O-]	ZINC000771882840	627739858	/nfs/dbraw/zinc/73/98/58/627739858.db2.gz	BFFWMXVVCMJUIR-SSDOTTSWSA-N	-1	0	286.162	3.315	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1ccccc1C(=O)[O-]	ZINC000777461516	628273624	/nfs/dbraw/zinc/27/36/24/628273624.db2.gz	ZFJJOPDUAAOMCF-UHFFFAOYSA-N	-1	0	275.226	3.078	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccccc2F)c1	ZINC000782200419	628624006	/nfs/dbraw/zinc/62/40/06/628624006.db2.gz	QWKOXDLSXLGSRK-WAYWQWQTSA-N	-1	0	276.288	3.482	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782206741	628624696	/nfs/dbraw/zinc/62/46/96/628624696.db2.gz	KCNLUNLVLLAFLH-ONEGZZNKSA-N	-1	0	287.340	3.300	20	30		CGEDRM
CC(C)(C#N)CCCOC(=O)c1c(F)cc([O-])cc1F	ZINC000783715865	628742559	/nfs/dbraw/zinc/74/25/59/628742559.db2.gz	HGGMYPAFIVYHNQ-UHFFFAOYSA-N	-1	0	283.274	3.157	20	30		CGEDRM
Cc1c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cnn1C(C)C	ZINC000787186842	629000374	/nfs/dbraw/zinc/00/03/74/629000374.db2.gz	OEUOBLZZPWSLMG-FPLPWBNLSA-N	-1	0	298.342	3.367	20	30		CGEDRM
Cc1ccc2nc(/C=C/C(=O)c3ccc([O-])c(F)c3)cn2c1	ZINC000789145122	629108182	/nfs/dbraw/zinc/10/81/82/629108182.db2.gz	YVDHRWIXOUPIEM-GQCTYLIASA-N	-1	0	296.301	3.384	20	30		CGEDRM
COC1(CN=Nc2ccc(C(=O)[O-])cc2)CCCCC1	ZINC000790136561	629185543	/nfs/dbraw/zinc/18/55/43/629185543.db2.gz	LPRSMNASZKPMML-UHFFFAOYSA-N	-1	0	276.336	3.132	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@H]1c1ccc(C)cc1)C(=O)[O-]	ZINC000793055633	629405767	/nfs/dbraw/zinc/40/57/67/629405767.db2.gz	AXFRFSSESZJIQG-UONOGXRCSA-N	-1	0	274.364	3.071	20	30		CGEDRM
CC[C@@H](NN=CC[C@@H](C)CCC=C(C)C)C(=O)[O-]	ZINC000793058581	629406242	/nfs/dbraw/zinc/40/62/42/629406242.db2.gz	WADATFDSQPWAFO-QWHCGFSZSA-N	-1	0	254.374	3.198	20	30		CGEDRM
CC[C@@H](NN=C(CC1CCC1)c1ccccc1)C(=O)[O-]	ZINC000793058606	629406411	/nfs/dbraw/zinc/40/64/11/629406411.db2.gz	WKOOTTXDTSPAOX-CQSZACIVSA-N	-1	0	274.364	3.034	20	30		CGEDRM
CC[C@@H](NN=C(C)[C@@H](C)C1CCCCC1)C(=O)[O-]	ZINC000793081365	629408859	/nfs/dbraw/zinc/40/88/59/629408859.db2.gz	KINRLLCTOMLBDQ-ZWNOBZJWSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC(=NN[C@@H](C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000793113989	629413075	/nfs/dbraw/zinc/41/30/75/629413075.db2.gz	IELCUQWHWDBPFM-JTQLQIEISA-N	-1	0	279.340	3.049	20	30		CGEDRM
CC[C@H](C)CON=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000793162941	629419837	/nfs/dbraw/zinc/41/98/37/629419837.db2.gz	DFGJEZABHUGPQI-VIFPVBQESA-N	-1	0	279.336	3.389	20	30		CGEDRM
Cc1cnccc1N=NC(C)CCCCCCC(=O)[O-]	ZINC000863158228	629484265	/nfs/dbraw/zinc/48/42/65/629484265.db2.gz	RXRNSZVVGIBJMW-UHFFFAOYSA-N	-1	0	277.368	3.025	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccnc(F)c1	ZINC000794717630	629570959	/nfs/dbraw/zinc/57/09/59/629570959.db2.gz	AHFNKISWJDBZLF-ARJAWSKDSA-N	-1	0	299.301	3.432	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/COc3cc(F)ccc3C2=O)c1	ZINC000794726689	629572817	/nfs/dbraw/zinc/57/28/17/629572817.db2.gz	DLSSCDZIPISAAV-GHXNOFRVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC000864183556	629792775	/nfs/dbraw/zinc/79/27/75/629792775.db2.gz	KWDNEAMSASTNIT-GFCCVEGCSA-N	-1	0	287.787	3.059	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)Nc1cccc(C)c1C)C(=O)[O-]	ZINC000865214124	630027013	/nfs/dbraw/zinc/02/70/13/630027013.db2.gz	NRENJKJAGSZZQF-LBPRGKRZSA-N	-1	0	296.754	3.021	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2cc(Cl)ccc2[O-])nn1	ZINC000806573917	630568597	/nfs/dbraw/zinc/56/85/97/630568597.db2.gz	WPMRJIFGWKZMFB-XQRVVYSFSA-N	-1	0	291.738	3.114	20	30		CGEDRM
CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])nc1	ZINC000810467101	630879751	/nfs/dbraw/zinc/87/97/51/630879751.db2.gz	MAHKHQNNBLSZDH-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000811694588	631111117	/nfs/dbraw/zinc/11/11/17/631111117.db2.gz	WYKKINMGRMIPCH-DAXSKMNVSA-N	-1	0	285.249	3.438	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](C)Sc1ccccc1Cl	ZINC000837044406	634847176	/nfs/dbraw/zinc/84/71/76/634847176.db2.gz	MEEAMSYKMSWESU-SECBINFHSA-N	-1	0	271.769	3.054	20	30		CGEDRM
COc1cccc(NN=C(C)c2csc(C(=O)[O-])c2)c1	ZINC000814777565	631637878	/nfs/dbraw/zinc/63/78/78/631637878.db2.gz	ULNBXWIDQCQJEO-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1c(F)cccc1F	ZINC000814852951	631655946	/nfs/dbraw/zinc/65/59/46/631655946.db2.gz	VLFZOZOVBWHQLX-UHFFFAOYSA-N	-1	0	282.290	3.398	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1cccc(C)c1	ZINC000814873185	631661178	/nfs/dbraw/zinc/66/11/78/631661178.db2.gz	QQBVFIVGOSOZHL-UHFFFAOYSA-N	-1	0	274.364	3.106	20	30		CGEDRM
C[C@H]1C(=NOCc2cccnc2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814884269	631664157	/nfs/dbraw/zinc/66/41/57/631664157.db2.gz	TXMCEPWRNHMASA-WCQYABFASA-N	-1	0	290.363	3.111	20	30		CGEDRM
CC(C)CON=C1CCCc2cc(C(=O)[O-])ccc21	ZINC000814883821	631664212	/nfs/dbraw/zinc/66/42/12/631664212.db2.gz	BXOLFQZUKWLSIP-UHFFFAOYSA-N	-1	0	261.321	3.098	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@@H]1CC1(C)C	ZINC000814886734	631665661	/nfs/dbraw/zinc/66/56/61/631665661.db2.gz	IHUOJCAHSICQGB-NSHDSACASA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=C([O-])C1(c2ccccc2)CC(=NOC2CCCC2)C1	ZINC000814894363	631668863	/nfs/dbraw/zinc/66/88/63/631668863.db2.gz	LMSZUBFTUXQATL-UHFFFAOYSA-N	-1	0	273.332	3.118	20	30		CGEDRM
C[C@H]1C(=NOCc2ccc(F)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814903487	631673737	/nfs/dbraw/zinc/67/37/37/631673737.db2.gz	LSYCNDGUGDAYAQ-PWSUYJOCSA-N	-1	0	279.311	3.219	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNC1CCCCC1	ZINC000814908406	631675932	/nfs/dbraw/zinc/67/59/32/631675932.db2.gz	AWBLZALEDOHRNR-UHFFFAOYSA-N	-1	0	274.364	3.258	20	30		CGEDRM
C[C@@H]1C(=NOC2CCCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814909225	631677203	/nfs/dbraw/zinc/67/72/03/631677203.db2.gz	FLHOETPMXLSROB-QWRGUYRKSA-N	-1	0	253.342	3.213	20	30		CGEDRM
C[C@H]1C(N=Nc2ncccc2F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814927445	631685012	/nfs/dbraw/zinc/68/50/12/631685012.db2.gz	OZKZMHOSRALKIL-VHSXEESVSA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@@H]1C(N=Nc2ncccc2F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814927443	631685378	/nfs/dbraw/zinc/68/53/78/631685378.db2.gz	OZKZMHOSRALKIL-NXEZZACHSA-N	-1	0	293.342	3.146	20	30		CGEDRM
CC(=NOC/C=C/Cl)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814933859	631688707	/nfs/dbraw/zinc/68/87/07/631688707.db2.gz	CYLGVBJODOOLOF-FEXNSZKASA-N	-1	0	297.738	3.032	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCC1(C)CCCC1	ZINC000814937380	631691413	/nfs/dbraw/zinc/69/14/13/631691413.db2.gz	DSYLTOJEXMWREB-RYUDHWBXSA-N	-1	0	266.385	3.033	20	30		CGEDRM
CC(=NN[C@@H](C)C(C)(C)C)c1csc(C(=O)[O-])c1	ZINC000814937325	631691514	/nfs/dbraw/zinc/69/15/14/631691514.db2.gz	BYCATCCTIMICJQ-VIFPVBQESA-N	-1	0	268.382	3.195	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814939650	631693796	/nfs/dbraw/zinc/69/37/96/631693796.db2.gz	XXKUQGYICDQEJE-WCQYABFASA-N	-1	0	293.363	3.325	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OCCC1CC1)c1ccccc1	ZINC000817416702	632146296	/nfs/dbraw/zinc/14/62/96/632146296.db2.gz	QPLSOVWTZRKKMW-OAHLLOKOSA-N	-1	0	259.349	3.194	20	30		CGEDRM
C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F	ZINC000818993000	632361555	/nfs/dbraw/zinc/36/15/55/632361555.db2.gz	VZFIVHYYJSATKN-SLJDXEBCSA-N	-1	0	296.632	3.324	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1nc2ccccc2o1	ZINC000819952164	632547364	/nfs/dbraw/zinc/54/73/64/632547364.db2.gz	MPCFPEBUBBBVFM-JTQLQIEISA-N	-1	0	270.263	3.412	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](c1cccnc1)C1CCCCC1	ZINC000869282887	633425127	/nfs/dbraw/zinc/42/51/27/633425127.db2.gz	USMKFEWRLXAPEK-MRXNPFEDSA-N	-1	0	288.391	3.369	20	30		CGEDRM
C=CCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCCC1	ZINC000870689813	633626749	/nfs/dbraw/zinc/62/67/49/633626749.db2.gz	BWAHMPGTTCZYND-UHFFFAOYSA-N	-1	0	284.359	3.495	20	30		CGEDRM
CCC(CC)(C[N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000871263054	633741236	/nfs/dbraw/zinc/74/12/36/633741236.db2.gz	SMXIWGADRYBEIU-UHFFFAOYSA-N	-1	0	297.214	3.372	20	30		CGEDRM
COc1ccc2c(c1)O/C(=C/c1cccc(C(=O)[O-])c1)C2=O	ZINC000208911376	633756077	/nfs/dbraw/zinc/75/60/77/633756077.db2.gz	KZVMUDDFJHKRMX-OVCLIPMQSA-N	-1	0	296.278	3.010	20	30		CGEDRM
O=C(/C=C/c1ccc2nccnc2c1)c1ccccc1[O-]	ZINC000871661506	633815926	/nfs/dbraw/zinc/81/59/26/633815926.db2.gz	QIEROMHVNUESOW-SOFGYWHQSA-N	-1	0	276.295	3.232	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830328728	633850987	/nfs/dbraw/zinc/85/09/87/633850987.db2.gz	UBYBQSWSXMJUNY-HNNXBMFYSA-N	-1	0	279.311	3.275	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCC(F)(F)C2)cc1F	ZINC000872380053	634127600	/nfs/dbraw/zinc/12/76/00/634127600.db2.gz	TYBXQNUBMWIZBB-MRVPVSSYSA-N	-1	0	286.253	3.357	20	30		CGEDRM
C#CCCCCCCN=Nc1ccccc1C(=O)[O-]	ZINC000834936119	634290090	/nfs/dbraw/zinc/29/00/90/634290090.db2.gz	RGCUHUVQAJIWFL-UHFFFAOYSA-N	-1	0	258.321	3.366	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CC1(C)C	ZINC000835009423	634314043	/nfs/dbraw/zinc/31/40/43/634314043.db2.gz	SKJOFUXAOCPEQN-NSHDSACASA-N	-1	0	264.300	3.358	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835012874	634316823	/nfs/dbraw/zinc/31/68/23/634316823.db2.gz	YOKJRQVTBWLVEE-CQSZACIVSA-N	-1	0	294.326	3.127	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1F	ZINC000126586324	635085322	/nfs/dbraw/zinc/08/53/22/635085322.db2.gz	VRGHURBDYXAWOX-QPJJXVBHSA-N	-1	0	295.269	3.292	20	30		CGEDRM
C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])CO1	ZINC000843264014	635627156	/nfs/dbraw/zinc/62/71/56/635627156.db2.gz	LWKTYIDOVFNWCL-TWRQWMEMSA-N	-1	0	274.147	3.295	20	30		CGEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000843269952	635629839	/nfs/dbraw/zinc/62/98/39/635629839.db2.gz	RYEUURGEEYZIJG-GQCTYLIASA-N	-1	0	288.322	3.280	20	30		CGEDRM
C=C[C@@H](C)ON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000844620293	635943633	/nfs/dbraw/zinc/94/36/33/635943633.db2.gz	JQLNHSQGPXIEGV-JLLWLGSASA-N	-1	0	253.342	3.090	20	30		CGEDRM
Cc1c(N=NC[C@H]2CC=CCC2)cccc1C(=O)[O-]	ZINC000844627546	635946719	/nfs/dbraw/zinc/94/67/19/635946719.db2.gz	NTWFBBKOMOFRIB-LBPRGKRZSA-N	-1	0	258.321	3.447	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)o1	ZINC000845840952	636106340	/nfs/dbraw/zinc/10/63/40/636106340.db2.gz	OPHFCGANDAZJOM-AWEZNQCLSA-N	-1	0	293.322	3.211	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	ZINC000846533263	636193418	/nfs/dbraw/zinc/19/34/18/636193418.db2.gz	FIVVPKAAXQQBHH-NSHDSACASA-N	-1	0	291.244	3.340	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1cc(C)ccc1Cl	ZINC000846537496	636195221	/nfs/dbraw/zinc/19/52/21/636195221.db2.gz	GWJIRIMNUPVXLR-NSHDSACASA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1cccc(Cl)c1	ZINC000846539233	636196197	/nfs/dbraw/zinc/19/61/97/636196197.db2.gz	ROLFANKFBZEYSD-UHFFFAOYSA-N	-1	0	267.756	3.242	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(F)cc2)CCCC1	ZINC000846543604	636197240	/nfs/dbraw/zinc/19/72/40/636197240.db2.gz	LWGGUPAUEYMLCH-LBPRGKRZSA-N	-1	0	277.339	3.260	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]O[C@@H](C)C=C)c1ccccc1	ZINC000846547746	636199006	/nfs/dbraw/zinc/19/90/06/636199006.db2.gz	FLTKHDQVQXNHTN-ZFWWWQNUSA-N	-1	0	259.349	3.359	20	30		CGEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1	ZINC000131237357	636588045	/nfs/dbraw/zinc/58/80/45/636588045.db2.gz	YBNQWPHEXPRIJZ-VCHYOVAHSA-N	-1	0	299.330	3.092	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)c([O-])c1	ZINC000849246872	636778514	/nfs/dbraw/zinc/77/85/14/636778514.db2.gz	MMBCWUQWTXPGDO-ALCCZGGFSA-N	-1	0	282.343	3.203	20	30		CGEDRM
CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056679	636781663	/nfs/dbraw/zinc/78/16/63/636781663.db2.gz	JKBVEIURYIQJEP-LLVKDONJSA-N	-1	0	275.414	3.288	20	30		CGEDRM
Cn1ncc(C2CCC2)c1C=CC(=O)c1sccc1[O-]	ZINC000849250608	636782133	/nfs/dbraw/zinc/78/21/33/636782133.db2.gz	VLOQUMNJCMZUFA-AATRIKPKSA-N	-1	0	288.372	3.351	20	30		CGEDRM
CCCCCCCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000108415308	636786925	/nfs/dbraw/zinc/78/69/25/636786925.db2.gz	MMLIJFKDDDSWCK-OAHLLOKOSA-N	-1	0	291.391	3.332	20	30		CGEDRM
O=C(/C=C/c1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136512257	637388192	/nfs/dbraw/zinc/38/81/92/637388192.db2.gz	INCWINNILRBZJV-XVNBXDOJSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCCn1nccc1/C=C/C(=O)c1cc(C)ccc1O	ZINC000853007075	637729704	/nfs/dbraw/zinc/72/97/04/637729704.db2.gz	OITPZOXVOVLHSY-FNORWQNLSA-N	-1	0	270.332	3.203	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCCC23CC3)cc1	ZINC000853370883	637826755	/nfs/dbraw/zinc/82/67/55/637826755.db2.gz	ZIDIRKCUTFPPTN-UHFFFAOYSA-N	-1	0	258.321	3.046	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	ZINC000856030933	638287457	/nfs/dbraw/zinc/28/74/57/638287457.db2.gz	XLECTTUZBOAAGI-LLVKDONJSA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2cc(F)cc(F)c2)CCCC1	ZINC000862133062	639649552	/nfs/dbraw/zinc/64/95/52/639649552.db2.gz	SUYNBMNKTNTQPB-UHFFFAOYSA-N	-1	0	295.329	3.401	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)cc1C	ZINC000042274076	639915244	/nfs/dbraw/zinc/91/52/44/639915244.db2.gz	UAIMPQFAGLKHHF-ZDUSSCGKSA-N	-1	0	293.388	3.305	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000156692372	639983316	/nfs/dbraw/zinc/98/33/16/639983316.db2.gz	ONBMXVGLMPTYFJ-FNORWQNLSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000076756875	640212696	/nfs/dbraw/zinc/21/26/96/640212696.db2.gz	BMYFPKAYLAGVAV-NSHDSACASA-N	-1	0	299.392	3.167	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077881083	640266165	/nfs/dbraw/zinc/26/61/65/640266165.db2.gz	WTTCMGSAHMIWIJ-NSHDSACASA-N	-1	0	267.350	3.000	20	30		CGEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1	ZINC000194615209	640544810	/nfs/dbraw/zinc/54/48/10/640544810.db2.gz	TUEOZASSLOFFKS-HNQUOIGGSA-N	-1	0	275.285	3.258	20	30		CGEDRM
CC(C)C[C@H](C)OCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000088401209	640617032	/nfs/dbraw/zinc/61/70/32/640617032.db2.gz	SCLSHUZOJITVST-LBPRGKRZSA-N	-1	0	290.363	3.044	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000089981603	640666807	/nfs/dbraw/zinc/66/68/07/640666807.db2.gz	DGNQQCCNAIZMGJ-OQFOIZHKSA-N	-1	0	287.768	3.093	20	30		CGEDRM
Cc1cc(Nc2csc(C#N)c2)ccc1C(=O)[O-]	ZINC001211655151	814926336	/nfs/dbraw/zinc/92/63/36/814926336.db2.gz	OUQOSDJQAGGFNG-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#C[C@H](Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC001161717106	806429720	/nfs/dbraw/zinc/42/97/20/806429720.db2.gz	BGJHKVDSYMHELU-AWEZNQCLSA-N	-1	0	252.273	3.062	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C)s1	ZINC001254514277	806434094	/nfs/dbraw/zinc/43/40/94/806434094.db2.gz	UWBGIHDPIPRKOH-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1cc(Nc2cccc(F)c2C#N)ccc1C(=O)[O-]	ZINC000093396169	798963657	/nfs/dbraw/zinc/96/36/57/798963657.db2.gz	KWLDYLJCPBSJAX-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1Cl	ZINC000176406631	799096678	/nfs/dbraw/zinc/09/66/78/799096678.db2.gz	BSFSYQZPQROTBS-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
O=C(/C=C\c1cccc2nccn21)c1cc(F)ccc1[O-]	ZINC000254930540	799169178	/nfs/dbraw/zinc/16/91/78/799169178.db2.gz	XRAXCZJLEPZQDY-ALCCZGGFSA-N	-1	0	282.274	3.075	20	30		CGEDRM
N#Cc1csc(C=CC(=O)c2sccc2[O-])c1	ZINC000588599045	799719968	/nfs/dbraw/zinc/71/99/68/799719968.db2.gz	NNQKFNJMPKULIW-UPHRSURJSA-N	-1	0	261.327	3.283	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000809152330	800412873	/nfs/dbraw/zinc/41/28/73/800412873.db2.gz	DPSGGLXCCWHUHS-GQCTYLIASA-N	-1	0	288.324	3.356	20	30		CGEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809157037	800414428	/nfs/dbraw/zinc/41/44/28/800414428.db2.gz	PVLATQFPRZDZQS-WWNSAXIVSA-N	-1	0	294.306	3.474	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)s1	ZINC001256258996	806854312	/nfs/dbraw/zinc/85/43/12/806854312.db2.gz	HLLMLTFMEBSYDB-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1sccc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC001256253775	806854970	/nfs/dbraw/zinc/85/49/70/806854970.db2.gz	UTTCXUPWJPNYJR-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC001256493389	806905449	/nfs/dbraw/zinc/90/54/49/806905449.db2.gz	OMRQACCCLAJKRH-UHFFFAOYSA-N	-1	0	297.788	3.184	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])s2)cc(F)c1F	ZINC001174806439	809166536	/nfs/dbraw/zinc/16/65/36/809166536.db2.gz	BRQWLXIXRWHHMS-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F	ZINC001123289102	802924952	/nfs/dbraw/zinc/92/49/52/802924952.db2.gz	GMFSKILZUXHQCO-GFCCVEGCSA-N	-1	0	291.322	3.095	20	30		CGEDRM
N#C[C@@H]1CC=C(c2ccccc2/C=C/C(=O)[O-])CC1	ZINC001243800396	803018372	/nfs/dbraw/zinc/01/83/72/803018372.db2.gz	SPTDKXGVMXTRRH-BZYZDCJZSA-N	-1	0	253.301	3.491	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cccc(C)c2C#N)c1	ZINC001244176418	803226029	/nfs/dbraw/zinc/22/60/29/803226029.db2.gz	NWJQWGJAICLDBO-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
COc1ccc(-c2ccc(CCC(=O)[O-])cc2)cc1CC#N	ZINC001244187632	803233609	/nfs/dbraw/zinc/23/36/09/803233609.db2.gz	SOGNWFQXMIYOCQ-UHFFFAOYSA-N	-1	0	295.338	3.445	20	30		CGEDRM
COc1cccc(-c2ccc(CCC(=O)[O-])cc2)c1C#N	ZINC001244192375	803236166	/nfs/dbraw/zinc/23/61/66/803236166.db2.gz	VKTQDONULKBRKT-UHFFFAOYSA-N	-1	0	281.311	3.251	20	30		CGEDRM
O=C([O-])CCc1ccc(-c2cc(/C=N/O)ccc2F)cc1	ZINC001244192092	803236246	/nfs/dbraw/zinc/23/62/46/803236246.db2.gz	VJDOPAKDFMXGGB-VCHYOVAHSA-N	-1	0	287.290	3.318	20	30		CGEDRM
N#Cc1ccnc(-c2cc(F)c([O-])c(Cl)c2)c1F	ZINC001244500245	803406578	/nfs/dbraw/zinc/40/65/78/803406578.db2.gz	KJEZEZNWBMULSR-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#CCc1ncccc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244612276	803464441	/nfs/dbraw/zinc/46/44/41/803464441.db2.gz	JDRLQZVNBHTYOI-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#CCc1ccncc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244613937	803465303	/nfs/dbraw/zinc/46/53/03/803465303.db2.gz	RYRBBDPTFPLIFJ-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#Cc1c2cccnc2ccc1-c1cc(C(=O)[O-])cnc1F	ZINC001244763144	803523905	/nfs/dbraw/zinc/52/39/05/803523905.db2.gz	VMOSWNWQWDTOAE-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cc(-c2ccc(CC#N)c(C)n2)cc(C)c1C(=O)[O-]	ZINC001244945314	803585877	/nfs/dbraw/zinc/58/58/77/803585877.db2.gz	USGDJJXACXLTKO-UHFFFAOYSA-N	-1	0	280.327	3.438	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1cccc(C(=O)[O-])c1C	ZINC001245301209	803695424	/nfs/dbraw/zinc/69/54/24/803695424.db2.gz	PERBKJOJLIPQGW-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1cccc(C(=O)[O-])c1C	ZINC001245301555	803696227	/nfs/dbraw/zinc/69/62/27/803696227.db2.gz	SWSHQYZLBMUWDU-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245319345	803700436	/nfs/dbraw/zinc/70/04/36/803700436.db2.gz	XVEQSKPLMQWZIR-UHFFFAOYSA-N	-1	0	283.302	3.494	20	30		CGEDRM
N#Cc1ccnc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001211958343	814960678	/nfs/dbraw/zinc/96/06/78/814960678.db2.gz	MGJNEODPSWWMQP-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc([O-])c(F)c(F)c1F)CCC2	ZINC001245634204	803867536	/nfs/dbraw/zinc/86/75/36/803867536.db2.gz	ILOYNNIWEHJQTM-UHFFFAOYSA-N	-1	0	290.244	3.232	20	30		CGEDRM
C=CCn1[n-]c(-c2ccc(Br)cc2)cc1=O	ZINC001245915579	804043362	/nfs/dbraw/zinc/04/33/62/804043362.db2.gz	YOKJPFHERDEMGK-UHFFFAOYSA-N	-1	0	279.137	3.204	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(-c3cccs3)cc2=O)c1	ZINC001245920733	804048554	/nfs/dbraw/zinc/04/85/54/804048554.db2.gz	VGYLKRTWIBGZCT-UHFFFAOYSA-N	-1	0	281.340	3.237	20	30		CGEDRM
C[C@H](n1[n-]c(-c2ccc(C#N)cc2)cc1=O)C(F)(F)F	ZINC001245933699	804063211	/nfs/dbraw/zinc/06/32/11/804063211.db2.gz	SYKYGEXVIKSZRT-QMMMGPOBSA-N	-1	0	281.237	3.251	20	30		CGEDRM
Cc1ccccc1-c1cc(=O)n(Cc2cccc(C#N)c2)[n-]1	ZINC001245936079	804065516	/nfs/dbraw/zinc/06/55/16/804065516.db2.gz	KYGRJCPUQJRGHW-UHFFFAOYSA-N	-1	0	289.338	3.484	20	30		CGEDRM
COc1cccc(-n2[n-]c(-c3ccc(C#N)cc3)cc2=O)c1	ZINC001245937635	804069063	/nfs/dbraw/zinc/06/90/63/804069063.db2.gz	QKAFWVCRQYFDEI-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(C3CCCC3)[n-]2)c1	ZINC001245937971	804069461	/nfs/dbraw/zinc/06/94/61/804069461.db2.gz	YSVKXCCGCLHUKY-UHFFFAOYSA-N	-1	0	253.305	3.242	20	30		CGEDRM
C#CCCc1cc(=O)n(C(=O)c2ccc(C(C)(C)C)cc2)[n-]1	ZINC001245951251	804086466	/nfs/dbraw/zinc/08/64/66/804086466.db2.gz	BFOKLLMCNLMCAJ-UHFFFAOYSA-N	-1	0	296.370	3.141	20	30		CGEDRM
CCC#Cc1nc(-c2ccc3[n-]c(=S)sc3c2)no1	ZINC001247515000	804759241	/nfs/dbraw/zinc/75/92/41/804759241.db2.gz	VZYDPMQOCBWWOL-UHFFFAOYSA-N	-1	0	287.369	3.397	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248551599	804951148	/nfs/dbraw/zinc/95/11/48/804951148.db2.gz	QQPUVYOLTBJSQV-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	ZINC001144640118	805018333	/nfs/dbraw/zinc/01/83/33/805018333.db2.gz	LBCBIOCFXDPFPQ-CYBMUJFWSA-N	-1	0	291.391	3.375	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cccc3c2CCCC3)ccc1O	ZINC001148636007	805202048	/nfs/dbraw/zinc/20/20/48/805202048.db2.gz	JFNKFBHXCDJXET-UHFFFAOYSA-N	-1	0	292.338	3.395	20	30		CGEDRM
N#CCOc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001212611324	815085627	/nfs/dbraw/zinc/08/56/27/815085627.db2.gz	QHJFDHXEAFGMDI-UHFFFAOYSA-N	-1	0	283.262	3.049	20	30		CGEDRM
COCCOc1ccccc1Nc1scc([O-])c1C#N	ZINC001212635737	815090005	/nfs/dbraw/zinc/09/00/05/815090005.db2.gz	DCERFYWRUOQOCD-UHFFFAOYSA-N	-1	0	290.344	3.094	20	30		CGEDRM
N#CCc1cc2ccccc2c(NCc2cc(=O)[n-]o2)c1	ZINC001169492108	807652438	/nfs/dbraw/zinc/65/24/38/807652438.db2.gz	WXRLYXNLOQMWQH-UHFFFAOYSA-N	-1	0	279.299	3.212	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)s1	ZINC001260684524	807699206	/nfs/dbraw/zinc/69/92/06/807699206.db2.gz	XAPYRVYSBZWTGV-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)CCO2	ZINC001174009446	808818929	/nfs/dbraw/zinc/81/89/29/808818929.db2.gz	GCNGANQWNQTCBN-UHFFFAOYSA-N	-1	0	258.302	3.004	20	30		CGEDRM
N#Cc1cc(Nc2cccc(-n3cccn3)c2)c([O-])cc1F	ZINC001174303042	808943940	/nfs/dbraw/zinc/94/39/40/808943940.db2.gz	KHRQYAUWXLUIBF-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)s1	ZINC001174494651	809042641	/nfs/dbraw/zinc/04/26/41/809042641.db2.gz	DWQLFZOBCUHDPA-QPJJXVBHSA-N	-1	0	270.313	3.461	20	30		CGEDRM
N#Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cs1	ZINC001174496973	809044666	/nfs/dbraw/zinc/04/46/66/809044666.db2.gz	XLJALUZUOHZCPR-SNAWJCMRSA-N	-1	0	270.313	3.461	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001174507299	809054009	/nfs/dbraw/zinc/05/40/09/809054009.db2.gz	HTSPZEPWBYMHSL-UHFFFAOYSA-N	-1	0	297.270	3.103	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1sc(C)cc1C#N	ZINC001174670592	809125569	/nfs/dbraw/zinc/12/55/69/809125569.db2.gz	MGLIOEKCXNJFGO-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
COc1cc(Nc2cc(C#N)ccc2F)ccc1C(=O)[O-]	ZINC001174685495	809130306	/nfs/dbraw/zinc/13/03/06/809130306.db2.gz	PSPXFUPOYIWHET-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1C(C)C	ZINC001174983033	809225453	/nfs/dbraw/zinc/22/54/53/809225453.db2.gz	CGBUAVQRTWQQNL-UHFFFAOYSA-N	-1	0	284.319	3.086	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(C(=O)[O-])ccc1C	ZINC001174983590	809226533	/nfs/dbraw/zinc/22/65/33/809226533.db2.gz	DBZAUXBOWQUVDX-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(O)cccc1C#N	ZINC001174983494	809226616	/nfs/dbraw/zinc/22/66/16/809226616.db2.gz	ACCQTTHSPVIUTN-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223554	809315134	/nfs/dbraw/zinc/31/51/34/809315134.db2.gz	UBUBRUSDLHLSPP-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#CCc1ccccc1Nc1cccc(C(=O)[O-])c1	ZINC001175332835	809359413	/nfs/dbraw/zinc/35/94/13/809359413.db2.gz	XWEHEEPHOXRTAT-UHFFFAOYSA-N	-1	0	252.273	3.194	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1cccc(C(=O)[O-])c1	ZINC001175331721	809359725	/nfs/dbraw/zinc/35/97/25/809359725.db2.gz	VGHHMQZYEYSNAU-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
CCNc1ccc(C#N)cc1NC(=O)c1cccc(F)c1[O-]	ZINC001295030907	809478927	/nfs/dbraw/zinc/47/89/27/809478927.db2.gz	XAXXGGADYCKHPO-UHFFFAOYSA-N	-1	0	299.305	3.087	20	30		CGEDRM
N#Cc1cc(Nc2cccc3c[nH]nc32)c([O-])cc1F	ZINC001175640396	809485674	/nfs/dbraw/zinc/48/56/74/809485674.db2.gz	GRIPAXCXQFUOHJ-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
C=CCO[N-]C(=O)CSCc1ccc(C(C)(C)C)cc1	ZINC001297990730	809525582	/nfs/dbraw/zinc/52/55/82/809525582.db2.gz	IZPZEXFQKIPBHW-UHFFFAOYSA-N	-1	0	293.432	3.451	20	30		CGEDRM
N#Cc1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)c([O-])cc1F	ZINC001175907957	809570270	/nfs/dbraw/zinc/57/02/70/809570270.db2.gz	XGGLOAMVDYBVBX-AATRIKPKSA-N	-1	0	299.261	3.394	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)s2)cc(C(=O)[O-])c1	ZINC001213588892	815306999	/nfs/dbraw/zinc/30/69/99/815306999.db2.gz	IMDITMZEVWSWFK-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C#N	ZINC001176677147	809740804	/nfs/dbraw/zinc/74/08/04/809740804.db2.gz	ODIHXBBCKVRGDZ-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
Cc1ccc(CC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001180461078	810003533	/nfs/dbraw/zinc/00/35/33/810003533.db2.gz	FEVBEXFBAXZGEF-UHFFFAOYSA-N	-1	0	298.317	3.201	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc2c(c1)N=NC2	ZINC001184244370	810184994	/nfs/dbraw/zinc/18/49/94/810184994.db2.gz	QDTYGLJSVCNLOA-UHFFFAOYSA-N	-1	0	280.307	3.272	20	30		CGEDRM
CC1(C)CCC(NC(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184246475	810185501	/nfs/dbraw/zinc/18/55/01/810185501.db2.gz	UZBBROPDUOYLCK-UHFFFAOYSA-N	-1	0	274.384	3.121	20	30		CGEDRM
CC1(C)CC[C@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001185172209	810240981	/nfs/dbraw/zinc/24/09/81/810240981.db2.gz	DWIZSCKUWUPVNW-VIFPVBQESA-N	-1	0	276.311	3.168	20	30		CGEDRM
C=C(C)CN(CC)C(=O)C=C([O-])c1ccccc1Cl	ZINC001185436707	810264048	/nfs/dbraw/zinc/26/40/48/810264048.db2.gz	VJDZTDLRVAZLFC-UHFFFAOYSA-N	-1	0	279.767	3.337	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1c(C)ccnc1C#N	ZINC001214273513	815392369	/nfs/dbraw/zinc/39/23/69/815392369.db2.gz	CRPFMYKEMFZKNI-UHFFFAOYSA-N	-1	0	297.314	3.102	20	30		CGEDRM
CCCCCCNC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001191977807	810762001	/nfs/dbraw/zinc/76/20/01/810762001.db2.gz	GSXFMGJGNWKDKI-UHFFFAOYSA-N	-1	0	279.315	3.105	20	30		CGEDRM
COc1cc(C)c(NC(=O)c2ccc([O-])c(C#N)c2)cc1C	ZINC001193512515	810900523	/nfs/dbraw/zinc/90/05/23/810900523.db2.gz	OCMUEGRXFGJKPA-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc([O-])c(C#N)c2)c1	ZINC001193516083	810902019	/nfs/dbraw/zinc/90/20/19/810902019.db2.gz	YWEGAXOHIATSBG-CYBMUJFWSA-N	-1	0	294.354	3.372	20	30		CGEDRM
C[C@H](CCc1ccccc1)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764848	811288945	/nfs/dbraw/zinc/28/89/45/811288945.db2.gz	RPQOIPRTJVTWPM-CYBMUJFWSA-N	-1	0	294.354	3.015	20	30		CGEDRM
CC(C)(NC(=O)c1ccc(C#N)cc1[O-])c1cccc(F)c1	ZINC001195765275	811290158	/nfs/dbraw/zinc/29/01/58/811290158.db2.gz	ZUOVJZYIKVCINR-UHFFFAOYSA-N	-1	0	298.317	3.068	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1cc(Cl)c(F)cc1[O-]	ZINC001196468430	811346759	/nfs/dbraw/zinc/34/67/59/811346759.db2.gz	XJFSRPUQDNLPKZ-UHFFFAOYSA-N	-1	0	271.719	3.223	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c(O)c1	ZINC001198774890	811541575	/nfs/dbraw/zinc/54/15/75/811541575.db2.gz	HVFDUKYNGQGBFI-UHFFFAOYSA-N	-1	0	278.311	3.005	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=S)NC2CCCCCC2)c1	ZINC001199969591	811621317	/nfs/dbraw/zinc/62/13/17/811621317.db2.gz	VRHHKIIFTHHIRM-UHFFFAOYSA-N	-1	0	289.404	3.273	20	30		CGEDRM
C=CCNC(=S)Nc1cc(Cl)c(C)c(Cl)c1[O-]	ZINC001200295010	811671773	/nfs/dbraw/zinc/67/17/73/811671773.db2.gz	CUHFGLKOLMGFDK-UHFFFAOYSA-N	-1	0	291.203	3.480	20	30		CGEDRM
N#Cc1ccc(Cl)c(Nc2cnc(F)c(C(=O)[O-])c2)c1	ZINC001215111412	815483869	/nfs/dbraw/zinc/48/38/69/815483869.db2.gz	QGNQLSCYYSATOV-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1sc(Nc2cc(C(=O)[O-])cnc2F)c(C#N)c1C	ZINC001215120130	815485455	/nfs/dbraw/zinc/48/54/55/815485455.db2.gz	SBAQQFVGLCBOPG-UHFFFAOYSA-N	-1	0	291.307	3.213	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(C2CC2)nc1	ZINC001201706345	811942140	/nfs/dbraw/zinc/94/21/40/811942140.db2.gz	LJEWSOAXLDDWBF-UHFFFAOYSA-N	-1	0	257.318	3.341	20	30		CGEDRM
C#CCOc1ccc(Nc2ccsc2C(=O)[O-])cc1	ZINC001215395892	815516492	/nfs/dbraw/zinc/51/64/92/815516492.db2.gz	SZRGNXYCJDMIKU-UHFFFAOYSA-N	-1	0	273.313	3.202	20	30		CGEDRM
N#CCc1cc(Nc2ccc(C(=O)[O-])cc2F)ccc1F	ZINC001203298742	812299640	/nfs/dbraw/zinc/29/96/40/812299640.db2.gz	FAOJFMBRVNTETP-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
C#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001215468687	815522566	/nfs/dbraw/zinc/52/25/66/815522566.db2.gz	BFYJZPJBIAVALA-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
Cc1c(Cl)c(Nc2ccc(C#N)nc2)ccc1C(=O)[O-]	ZINC001215690784	815559650	/nfs/dbraw/zinc/55/96/50/815559650.db2.gz	ROSROZYMKSFYQR-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1c(Cl)c(Nc2cccnc2C#N)ccc1C(=O)[O-]	ZINC001215690895	815559702	/nfs/dbraw/zinc/55/97/02/815559702.db2.gz	XEBGPFJLRSIQPS-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1ccc(-c2ccsc2C(=O)[O-])c2cc[nH]c21	ZINC001205605627	813021174	/nfs/dbraw/zinc/02/11/74/813021174.db2.gz	NGBZWXACIGVBDN-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1ccc([O-])cc1F	ZINC001206022255	813168651	/nfs/dbraw/zinc/16/86/51/813168651.db2.gz	XIQPWTYNPHIMHT-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ncc(Nc2cc(F)cc(C(=O)[O-])c2)cc1Cl	ZINC001209888572	814188441	/nfs/dbraw/zinc/18/84/41/814188441.db2.gz	PNFXJWJKWZRNOP-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#CCc1cc(Nc2cc(F)cc(C(=O)[O-])c2)ccc1F	ZINC001209894108	814192088	/nfs/dbraw/zinc/19/20/88/814192088.db2.gz	UAACFPXOVMQWPI-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
COc1ccc(Nc2c(C#N)cccc2OC)cc1C(=O)[O-]	ZINC001209903762	814195584	/nfs/dbraw/zinc/19/55/84/814195584.db2.gz	QVTQFSLHJBLQJU-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1cc(Nc2cccc(CC(=O)[O-])c2)ccc1C#N	ZINC001210073150	814274449	/nfs/dbraw/zinc/27/44/49/814274449.db2.gz	JHHCCKDSEBPHFK-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210240921	814360610	/nfs/dbraw/zinc/36/06/10/814360610.db2.gz	LYPBQFCQJCFLGX-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(Nc2cccc(C(=O)[O-])c2F)ccc1F	ZINC001210240293	814360665	/nfs/dbraw/zinc/36/06/65/814360665.db2.gz	ALPYCKFESWVHNH-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C#N	ZINC001210400743	814445896	/nfs/dbraw/zinc/44/58/96/814445896.db2.gz	KWINSVYCJSWNNP-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
Cn1ccnc1-c1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001210431399	814454168	/nfs/dbraw/zinc/45/41/68/814454168.db2.gz	BEGYGOJLZSVXIF-UHFFFAOYSA-N	-1	0	296.355	3.469	20	30		CGEDRM
N#CCc1cc(Nc2ccccc2C(=O)[O-])ccc1F	ZINC001210969520	814696518	/nfs/dbraw/zinc/69/65/18/814696518.db2.gz	SFNBOGOQGLLXMI-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
COc1c(Nc2ccc(C#N)cc2C)cccc1C(=O)[O-]	ZINC001211037033	814714191	/nfs/dbraw/zinc/71/41/91/814714191.db2.gz	QACOKKBYVMTSMF-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(-c2noc(-c3c([O-])cccc3F)n2)ccc1C#N	ZINC001215776468	815588138	/nfs/dbraw/zinc/58/81/38/815588138.db2.gz	RHNKURWPLMNUPR-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1ccc(Nc2c(C#N)cnn2C(C)C)cc1C(=O)[O-]	ZINC001211597120	814914791	/nfs/dbraw/zinc/91/47/91/814914791.db2.gz	SHUPZOYVMAUXQT-UHFFFAOYSA-N	-1	0	284.319	3.086	20	30		CGEDRM
Cc1ccc(Nc2c(C)cc(C#N)cc2C#N)cc1C(=O)[O-]	ZINC001211604115	814916635	/nfs/dbraw/zinc/91/66/35/814916635.db2.gz	PMCCRONHYHKWRQ-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
Cc1c(Nc2cc(F)cc(C#N)c2)cccc1C(=O)[O-]	ZINC001216660037	815887603	/nfs/dbraw/zinc/88/76/03/815887603.db2.gz	DDNCQRMDWVKVRB-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cccc([S-])c2)n1	ZINC001242866098	823158392	/nfs/dbraw/zinc/15/83/92/823158392.db2.gz	XWFJJHBENHJARZ-UHFFFAOYSA-N	-1	0	259.359	3.026	20	30		CGEDRM
N#Cc1cc2ccccc2nc1-c1ccccc1C(=O)[O-]	ZINC001242877649	823161541	/nfs/dbraw/zinc/16/15/41/823161541.db2.gz	PAIRYEXNWRHVTC-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1c(F)c(F)c(-c2ccccc2C(=O)[O-])c(F)c1F	ZINC001242879663	823162413	/nfs/dbraw/zinc/16/24/13/823162413.db2.gz	AJKFQWIPNVOXNM-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cc(F)c([O-])cc1F	ZINC001222083206	816343519	/nfs/dbraw/zinc/34/35/19/816343519.db2.gz	TVBDZPLBTIFABG-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CC[C@H](C)C2)c1	ZINC001223893437	816698596	/nfs/dbraw/zinc/69/85/96/816698596.db2.gz	VFVKYWJLQIMQBR-YBDCHGGOSA-N	-1	0	279.336	3.045	20	30		CGEDRM
C[C@@H](OCCOc1ccc(C#N)cc1)C1=CC=C[CH]1	ZINC001224286548	816769038	/nfs/dbraw/zinc/76/90/38/816769038.db2.gz	MLKIOYOKPIFCQK-CYBMUJFWSA-N	-1	0	254.309	3.043	20	30		CGEDRM
C=C(C)C[C@H](Oc1nc(Cl)cc(=O)[n-]1)C(=C)C	ZINC001225562387	817092934	/nfs/dbraw/zinc/09/29/34/817092934.db2.gz	HXMSXPWQEYAHBH-VIFPVBQESA-N	-1	0	254.717	3.125	20	30		CGEDRM
C=CCOc1ccccc1[C@H](C)Oc1[n-]c(=O)ncc1F	ZINC001225885083	817205650	/nfs/dbraw/zinc/20/56/50/817205650.db2.gz	LELQHYIKKGXDGH-JTQLQIEISA-N	-1	0	290.294	3.026	20	30		CGEDRM
C[C@@H]1CC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C[C@@H]1C	ZINC001226009663	817248562	/nfs/dbraw/zinc/24/85/62/817248562.db2.gz	ZDMCWHHUAFIHIY-WCABBAIRSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C[C@H]1CC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1	ZINC001226065156	817262568	/nfs/dbraw/zinc/26/25/68/817262568.db2.gz	SHYZEDKKOXXBKK-YUMQZZPRSA-N	-1	0	286.253	3.245	20	30		CGEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226223379	817302037	/nfs/dbraw/zinc/30/20/37/817302037.db2.gz	PJHTWBFARVVAAN-LBPRGKRZSA-N	-1	0	268.316	3.416	20	30		CGEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226223378	817302112	/nfs/dbraw/zinc/30/21/12/817302112.db2.gz	PJHTWBFARVVAAN-GFCCVEGCSA-N	-1	0	268.316	3.416	20	30		CGEDRM
Cc1cccc(OC[C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c1	ZINC001226224071	817303662	/nfs/dbraw/zinc/30/36/62/817303662.db2.gz	ZSYBOLLBXWAWDC-CYBMUJFWSA-N	-1	0	298.342	3.122	20	30		CGEDRM
C=C[C@H](CCCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226345929	817332397	/nfs/dbraw/zinc/33/23/97/817332397.db2.gz	HHFUVTKZLQQBGJ-MRVPVSSYSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226347525	817332887	/nfs/dbraw/zinc/33/28/87/817332887.db2.gz	UEZYIWPWBXRWLO-QMMMGPOBSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C=CC[C@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1	ZINC001226787480	817464402	/nfs/dbraw/zinc/46/44/02/817464402.db2.gz	YSSQZEIVUHMCIN-NSHDSACASA-N	-1	0	298.371	3.338	20	30		CGEDRM
C=C(C)C[C@H](Oc1ccc(O)c(C#N)c1C#N)C(=C)C	ZINC001227623482	817685997	/nfs/dbraw/zinc/68/59/97/817685997.db2.gz	RZBUWAZKTDMTKF-INIZCTEOSA-N	-1	0	268.316	3.425	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1	ZINC001227807986	817725219	/nfs/dbraw/zinc/72/52/19/817725219.db2.gz	CMKRNQNDTJYIET-CYBMUJFWSA-N	-1	0	281.315	3.360	20	30		CGEDRM
Cc1ccc(-c2cccc(F)c2C#N)cc1C(=O)[O-]	ZINC001243194200	823283946	/nfs/dbraw/zinc/28/39/46/823283946.db2.gz	FJIJLMDXEONZKE-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228003985	817780821	/nfs/dbraw/zinc/78/08/21/817780821.db2.gz	GXMSBIWUMHARNT-LLVKDONJSA-N	-1	0	273.336	3.244	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccnc2[nH]cc(C#N)c21	ZINC001243204635	823290003	/nfs/dbraw/zinc/29/00/03/823290003.db2.gz	SLKQDYOYXOSOEY-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
CCCCCCC[C@H](CC)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310770	817872041	/nfs/dbraw/zinc/87/20/41/817872041.db2.gz	IOSHCOGWFVVCFR-NSHDSACASA-N	-1	0	283.372	3.109	20	30		CGEDRM
Cc1cc(-c2ncc3c(c2C#N)CCC3)ccc1C(=O)[O-]	ZINC001243214587	823295537	/nfs/dbraw/zinc/29/55/37/823295537.db2.gz	TWODNBPKWWPIJU-UHFFFAOYSA-N	-1	0	278.311	3.116	20	30		CGEDRM
C=C[C@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228391257	817895476	/nfs/dbraw/zinc/89/54/76/817895476.db2.gz	UQFOOKMCMJUKBK-NSHDSACASA-N	-1	0	262.696	3.142	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](Oc2[n-]ncc(=O)c2Cl)C(C)(C)O1	ZINC001228391309	817895683	/nfs/dbraw/zinc/89/56/83/817895683.db2.gz	VFQYPMFQIVLABJ-QMTHXVAHSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231227821	818060992	/nfs/dbraw/zinc/06/09/92/818060992.db2.gz	NCBMJSLGRBPBKS-SECBINFHSA-N	-1	0	296.279	3.332	20	30		CGEDRM
N#CCCN(Cc1ccc([S-])cc1)Cc1cccnc1	ZINC001233258898	818559007	/nfs/dbraw/zinc/55/90/07/818559007.db2.gz	YFQBPCWVIJVRHR-UHFFFAOYSA-N	-1	0	283.400	3.286	20	30		CGEDRM
Cc1nc(-c2cc(Cl)cc(C(=O)[O-])c2)ccc1C#N	ZINC001243323262	823346947	/nfs/dbraw/zinc/34/69/47/823346947.db2.gz	RQPKKVCQIVSESN-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1cc2nc(-c3cc(Cl)cc(C(=O)[O-])c3)ccc2[nH]1	ZINC001243325155	823348377	/nfs/dbraw/zinc/34/83/77/823348377.db2.gz	ZMVCUIUMMDNELC-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001243324645	823349141	/nfs/dbraw/zinc/34/91/41/823349141.db2.gz	JFUXFYLREXBTSK-UHFFFAOYSA-N	-1	0	282.686	3.449	20	30		CGEDRM
CCC#C[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	ZINC001233499284	818628715	/nfs/dbraw/zinc/62/87/15/818628715.db2.gz	NQPYDMNSZBZNHS-QMMMGPOBSA-N	-1	0	293.710	3.305	20	30		CGEDRM
CCc1cc(C)c(C#N)c(O[C@H](C)C2=CC=C[CH]2)n1	ZINC001233556657	818640878	/nfs/dbraw/zinc/64/08/78/818640878.db2.gz	QSFVMHDCYHRDMY-GFCCVEGCSA-N	-1	0	253.325	3.292	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1n[n-]c(=O)cc1Cl	ZINC001233591595	818652906	/nfs/dbraw/zinc/65/29/06/818652906.db2.gz	YBIJWDBUCHMCMO-SECBINFHSA-N	-1	0	256.733	3.349	20	30		CGEDRM
CCCCCCC[C@H](CC)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233940497	818736142	/nfs/dbraw/zinc/73/61/42/818736142.db2.gz	XFWIEWDFZIXUBC-NSHDSACASA-N	-1	0	292.383	3.164	20	30		CGEDRM
C[C@H](Oc1ccc(-c2cccc(C#N)c2)nn1)C1=CC=C[CH]1	ZINC001233944362	818737239	/nfs/dbraw/zinc/73/72/39/818737239.db2.gz	XGUGVNMJZHTJRZ-ZDUSSCGKSA-N	-1	0	288.330	3.483	20	30		CGEDRM
CC[C@H](C)[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513479	818871837	/nfs/dbraw/zinc/87/18/37/818871837.db2.gz	LXMVEEJWIAQZPP-UWVGGRQHSA-N	-1	0	271.320	3.020	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530270	818876044	/nfs/dbraw/zinc/87/60/44/818876044.db2.gz	JQSGIMDPAQFKGW-LBPRGKRZSA-N	-1	0	283.331	3.331	20	30		CGEDRM
N#Cc1c2ccccc2cnc1-c1ccc(C(=O)[O-])cc1	ZINC001236055942	819291103	/nfs/dbraw/zinc/29/11/03/819291103.db2.gz	RWJJOOUUCIIKDI-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
Cc1c(Cl)c(-c2ncc(F)cc2C#N)ccc1C(=O)[O-]	ZINC001236107678	819324308	/nfs/dbraw/zinc/32/43/08/819324308.db2.gz	GDQMXTRGDKSMKR-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(Cl)c([O-])c1)CCC2	ZINC001243579692	823453040	/nfs/dbraw/zinc/45/30/40/823453040.db2.gz	XDUYOBJQNSSYTJ-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
Cc1nocc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001243678054	823483022	/nfs/dbraw/zinc/48/30/22/823483022.db2.gz	PLFHQKLOKKLWFU-FZSIALSZSA-N	-1	0	270.210	3.477	20	30		CGEDRM
N#Cc1cc(-c2cccc(S(=O)(=O)[O-])c2)ccc1Cl	ZINC001240403568	821024097	/nfs/dbraw/zinc/02/40/97/821024097.db2.gz	PEWARHUEMPYKRC-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)ccc2[O-])nc1C(F)(F)F	ZINC001240694029	821249461	/nfs/dbraw/zinc/24/94/61/821249461.db2.gz	MUFUKDGWVNGWRI-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1cc(-c2ccc(CC#N)cc2F)ccc1C(=O)[O-]	ZINC001240743674	821295213	/nfs/dbraw/zinc/29/52/13/821295213.db2.gz	YMMYSOPIVYAAFF-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
O=C([O-])c1ccc(-c2ccc(/C=N/O)c(F)c2)s1	ZINC001240849829	821370290	/nfs/dbraw/zinc/37/02/90/821370290.db2.gz	SLDDBKKGGNIYQH-MKMNVTDBSA-N	-1	0	265.265	3.061	20	30		CGEDRM
N#Cc1c(-c2ccc(CC(=O)[O-])cc2)ccc2ncccc12	ZINC001240976073	821458996	/nfs/dbraw/zinc/45/89/96/821458996.db2.gz	HCYSSMWRGLXMTP-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
COC(=O)c1cc(-c2cc(C(=O)[O-])ccc2C)ccc1C#N	ZINC001241003537	821481957	/nfs/dbraw/zinc/48/19/57/821481957.db2.gz	SEFSLOXMSAQUDM-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3c(F)cc([O-])cc3F)cc12	ZINC001241122643	821580020	/nfs/dbraw/zinc/58/00/20/821580020.db2.gz	JKMZCQPXDLIICQ-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1cnc(-c2cccc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC001241356871	821757843	/nfs/dbraw/zinc/75/78/43/821757843.db2.gz	CSQCMFOQAOUPAL-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1c(F)c(F)c(-c2cccc(C(=O)[O-])c2)c(F)c1F	ZINC001241360058	821761077	/nfs/dbraw/zinc/76/10/77/821761077.db2.gz	BTXCFBWLVHACMO-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
N#CCc1cccc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241827576	822166454	/nfs/dbraw/zinc/16/64/54/822166454.db2.gz	KTCFKQRJKLHWBW-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1ccc(-c2cccc(CC#N)c2)cc1C(=O)[O-]	ZINC001241868264	822186709	/nfs/dbraw/zinc/18/67/09/822186709.db2.gz	AYSNOQWDQQRJHS-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1ccc(-c2cccc3[nH]c(C#N)cc32)cc1C(=O)[O-]	ZINC001241874349	822190075	/nfs/dbraw/zinc/19/00/75/822190075.db2.gz	FQUMHKJFFRDWTF-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1ccc(-c2ccc3c(C#N)c[nH]c3c2)cc1C(=O)[O-]	ZINC001241874722	822190425	/nfs/dbraw/zinc/19/04/25/822190425.db2.gz	NUENPHFKHIMXAR-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
Cc1nnc(-c2ccc([O-])c(C(F)(F)F)c2)c(C#N)c1C	ZINC001242151030	822895292	/nfs/dbraw/zinc/89/52/92/822895292.db2.gz	DNNSDCSGWMUPKI-UHFFFAOYSA-N	-1	0	293.248	3.357	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(F)cc1[O-])CCCC2	ZINC001242217793	822915140	/nfs/dbraw/zinc/91/51/40/822915140.db2.gz	VVLILGFOHRNNOZ-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
N#CCc1ccc(F)c(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242264552	822930738	/nfs/dbraw/zinc/93/07/38/822930738.db2.gz	RPZXKBQNMMUUON-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1c(-c2cccc(CC(=O)[O-])c2)ccc2ncccc12	ZINC001242264717	822930857	/nfs/dbraw/zinc/93/08/57/822930857.db2.gz	APEXJRPLDRTLNY-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc(Cl)c1[O-])CCOC2	ZINC001242364757	822968295	/nfs/dbraw/zinc/96/82/95/822968295.db2.gz	DHQRRVFICFLSHO-UHFFFAOYSA-N	-1	0	286.718	3.052	20	30		CGEDRM
N#Cc1c(F)cccc1-c1cccc(C(=O)[O-])c1F	ZINC001242379009	822973822	/nfs/dbraw/zinc/97/38/22/822973822.db2.gz	CKRHKBFDIKARNL-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2F)nc(C)c1C#N	ZINC001242378920	822973973	/nfs/dbraw/zinc/97/39/73/822973973.db2.gz	SNMPNANSCGFIST-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CCc1cc(-c2cccc(C(=O)[O-])c2F)ccc1F	ZINC001242380262	822974927	/nfs/dbraw/zinc/97/49/27/822974927.db2.gz	GZRMHHRYYZUGPI-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(F)cc(C)c1C#N	ZINC001242391201	822979304	/nfs/dbraw/zinc/97/93/04/822979304.db2.gz	XZXGENBLRQQDKM-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#Cc1cc(-c2nc3ccccc3cc2C#N)ccc1[O-]	ZINC001242562409	823032483	/nfs/dbraw/zinc/03/24/83/823032483.db2.gz	XCCNAAZGLKQWRC-UHFFFAOYSA-N	-1	0	271.279	3.351	20	30		CGEDRM
N#Cc1cc(-c2ncc(C#N)c3ccccc32)ccc1[O-]	ZINC001242562438	823032624	/nfs/dbraw/zinc/03/26/24/823032624.db2.gz	YNLUSDGTFVLBOK-UHFFFAOYSA-N	-1	0	271.279	3.351	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3ccncc3)ccc2C#N)ccc1[O-]	ZINC001242563548	823033229	/nfs/dbraw/zinc/03/32/29/823033229.db2.gz	GQFWWUQZRJBEBR-UHFFFAOYSA-N	-1	0	298.305	3.260	20	30		CGEDRM
N#Cc1ccc2nccc(-c3ccc([O-])c(C#N)c3)c2c1	ZINC001242564765	823035524	/nfs/dbraw/zinc/03/55/24/823035524.db2.gz	RZPQHFVZFGJQDG-UHFFFAOYSA-N	-1	0	271.279	3.351	20	30		CGEDRM
C=CC[C@@H](NC(=O)[C@@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC001339861069	936388225	/nfs/dbraw/zinc/38/82/25/936388225.db2.gz	DVHMRWRREYKVIE-UONOGXRCSA-N	-1	0	281.396	3.129	20	30		CGEDRM
Cc1cc(NC(C)(C)c2ccc(C#N)cc2)cnc1C(=O)[O-]	ZINC001165760079	931995392	/nfs/dbraw/zinc/99/53/92/931995392.db2.gz	KHSOQOHQSALBDX-UHFFFAOYSA-N	-1	0	295.342	3.307	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1F	ZINC001216418404	932020611	/nfs/dbraw/zinc/02/06/11/932020611.db2.gz	YMLYFENVMOWPOF-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1Cc2cccc3cccc1c23	ZINC001228898737	932047587	/nfs/dbraw/zinc/04/75/87/932047587.db2.gz	LBWFRUAQHFIEDT-OAHLLOKOSA-N	-1	0	288.306	3.488	20	30		CGEDRM
Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=O)ccc1C#N)CC2	ZINC001228898633	932047740	/nfs/dbraw/zinc/04/77/40/932047740.db2.gz	KIEIBBTVEGASJB-AWEZNQCLSA-N	-1	0	266.300	3.034	20	30		CGEDRM
C=C[C@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230018011	932522962	/nfs/dbraw/zinc/52/29/62/932522962.db2.gz	LPVHFOABHKYSLN-JTQLQIEISA-N	-1	0	262.696	3.142	20	30		CGEDRM
C#C[C@@H](CCC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050044	932665625	/nfs/dbraw/zinc/66/56/25/932665625.db2.gz	QBMRUSXKCCCKRE-ZETCQYMHSA-N	-1	0	284.146	3.445	20	30		CGEDRM
C#C[C@@H](Oc1cccc2oc(=S)[n-]c21)c1ccncc1	ZINC001231064396	932669570	/nfs/dbraw/zinc/66/95/70/932669570.db2.gz	DZIAMOJJPZTTRG-LLVKDONJSA-N	-1	0	282.324	3.265	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1cccc2oc(=S)[n-]c21	ZINC001231066620	932671234	/nfs/dbraw/zinc/67/12/34/932671234.db2.gz	ZAEARTPAIZKXEE-UWVGGRQHSA-N	-1	0	259.330	3.297	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC001464867783	937696278	/nfs/dbraw/zinc/69/62/78/937696278.db2.gz	GTWHLSHONZWMED-UHFFFAOYSA-N	-1	0	285.730	3.304	20	30		CGEDRM
CC1CCC(C)(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC001466538315	937710141	/nfs/dbraw/zinc/71/01/41/937710141.db2.gz	XRYYEWBTKLZDSG-UHFFFAOYSA-N	-1	0	272.348	3.419	20	30		CGEDRM
C=CCCO[N-]C(=O)COc1ccc(C(C)C)c(C)c1	ZINC001470616567	937755820	/nfs/dbraw/zinc/75/58/20/937755820.db2.gz	OVKGBPKAACUHAU-UHFFFAOYSA-N	-1	0	277.364	3.121	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccnc2N(C)C)c([O-])c1	ZINC001322819616	934339186	/nfs/dbraw/zinc/33/91/86/934339186.db2.gz	JYMATJYKEVOFDY-VQHVLOKHSA-N	-1	0	282.343	3.058	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2C=CCCC2)c1[O-]	ZINC001323771089	934423627	/nfs/dbraw/zinc/42/36/27/934423627.db2.gz	KQMYTMHBESLYCI-SHLUWWQESA-N	-1	0	280.711	3.481	20	30		CGEDRM
CC(C)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC001471997250	937771156	/nfs/dbraw/zinc/77/11/56/937771156.db2.gz	ALPXIMQYYGKVIW-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1c([O-])cccc1F	ZINC001332407199	935466919	/nfs/dbraw/zinc/46/69/19/935466919.db2.gz	RRQGARNAVKBJJC-BQYQJAHWSA-N	-1	0	288.322	3.448	20	30		CGEDRM
COc1cc(F)cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC001332655762	935479161	/nfs/dbraw/zinc/47/91/61/935479161.db2.gz	GLWICOQHFAGSJL-UHFFFAOYSA-N	-1	0	290.250	3.199	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1	ZINC001336243496	936183387	/nfs/dbraw/zinc/18/33/87/936183387.db2.gz	VCNMTEWRVXRYAQ-ZFWWWQNUSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC001336884570	936225388	/nfs/dbraw/zinc/22/53/88/936225388.db2.gz	VVRJEPUOMPQPLU-NSHDSACASA-N	-1	0	261.321	3.170	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NNC1CCSCC1	ZINC001336993252	936230981	/nfs/dbraw/zinc/23/09/81/936230981.db2.gz	WTZSEVHHWQWVMS-UHFFFAOYSA-N	-1	0	286.441	3.273	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1C	ZINC001523759394	938041357	/nfs/dbraw/zinc/04/13/57/938041357.db2.gz	DSCWZDLKJDTWCQ-CQSZACIVSA-N	-1	0	298.367	3.453	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](OCC1CCCC1)c1ccccc1	ZINC001556633885	938204779	/nfs/dbraw/zinc/20/47/79/938204779.db2.gz	XXBJRKKMMBNDRO-MRXNPFEDSA-N	-1	0	289.375	3.168	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](Oc1ccccc1)c1ccccc1	ZINC001557326193	938209344	/nfs/dbraw/zinc/20/93/44/938209344.db2.gz	NCYHETVIJZYFPV-QGZVFWFLSA-N	-1	0	297.354	3.431	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602718950	971379471	/nfs/dbraw/zinc/37/94/71/971379471.db2.gz	GQQPPXLIHQLOKD-KRWDZBQOSA-N	-1	0	293.407	3.440	20	30		CGEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC2CCC1CC2	ZINC000328583650	971511600	/nfs/dbraw/zinc/51/16/00/971511600.db2.gz	IYBUGRZVLHCSNC-ABLIHOLZSA-N	-1	0	265.353	3.023	20	30		CGEDRM
O=C([O-])[C@H]1CCN(CC#Cc2ccccc2)c2ccccc21	ZINC000388129400	972156945	/nfs/dbraw/zinc/15/69/45/972156945.db2.gz	BBSRJEPJANHUFN-KRWDZBQOSA-N	-1	0	291.350	3.117	20	30		CGEDRM
N#Cc1cnc(NCCCCCC(=O)[O-])c2sccc21	ZINC001594632815	956353829	/nfs/dbraw/zinc/35/38/29/956353829.db2.gz	DEVSHGVCTDYXCF-UHFFFAOYSA-N	-1	0	289.360	3.225	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCc1cccc(C#N)c1	ZINC000042319098	957409172	/nfs/dbraw/zinc/40/91/72/957409172.db2.gz	IGFUYJVMVDWOSP-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
CCCCCCCCC(=O)N(CC)C(C)(C)C(=O)[O-]	ZINC000108231986	958374736	/nfs/dbraw/zinc/37/47/36/958374736.db2.gz	CVIUAILHQIUHPR-UHFFFAOYSA-N	-1	0	271.401	3.449	20	30		CGEDRM
CCCCCCCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000147290068	958998257	/nfs/dbraw/zinc/99/82/57/958998257.db2.gz	HTDFLAWXSDYFCS-UONOGXRCSA-N	-1	0	283.412	3.354	20	30		CGEDRM
C=C(C)CCOc1cc(/C=C/C(=O)[O-])ccc1OC	ZINC000164445386	959256975	/nfs/dbraw/zinc/25/69/75/959256975.db2.gz	BVKUBTVROYBAIR-FNORWQNLSA-N	-1	0	262.305	3.138	20	30		CGEDRM
C[C@H](OCCOc1cccc(C#N)c1)C1=CC=C[CH]1	ZINC001224311578	960405178	/nfs/dbraw/zinc/40/51/78/960405178.db2.gz	FPXQRFQYLUDNRT-ZDUSSCGKSA-N	-1	0	254.309	3.043	20	30		CGEDRM
N#CCCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001601064974	960542716	/nfs/dbraw/zinc/54/27/16/960542716.db2.gz	QRXZLAULXNGNHO-UHFFFAOYSA-N	-1	0	296.273	3.076	20	30		CGEDRM
C=C(C)CN1C[C@H](CCC(=O)[O-])Cc2ccccc21	ZINC001573329898	962242808	/nfs/dbraw/zinc/24/28/08/962242808.db2.gz	OXEMHVFGZKWLHL-CYBMUJFWSA-N	-1	0	259.349	3.106	20	30		CGEDRM
C#C[C@@](C)(CC)N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC001573303178	962671478	/nfs/dbraw/zinc/67/14/78/962671478.db2.gz	WBDDDMLEYOAMSR-JSGCOSHPSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C#CCCCCC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21	ZINC001573304196	962686661	/nfs/dbraw/zinc/68/66/61/962686661.db2.gz	ZJEDPHNNZMRCKZ-UHFFFAOYSA-N	-1	0	299.370	3.166	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1	ZINC001573312251	962719905	/nfs/dbraw/zinc/71/99/05/962719905.db2.gz	PMECSKAPLKOQMD-UHFFFAOYSA-N	-1	0	297.285	3.066	20	30		CGEDRM
C=C(C)CCN1CCCc2c(C(=O)[O-])ccc(C)c21	ZINC001573324152	962782047	/nfs/dbraw/zinc/78/20/47/962782047.db2.gz	NFBAJGQDKCAGTM-UHFFFAOYSA-N	-1	0	259.349	3.412	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CCC(C)C	ZINC001573332594	962837566	/nfs/dbraw/zinc/83/75/66/962837566.db2.gz	PAYPOIYOEJYNHN-AWEZNQCLSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1	ZINC001573333312	962856385	/nfs/dbraw/zinc/85/63/85/962856385.db2.gz	ZQZVPGLXEUEPOX-UONOGXRCSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC001573348208	962955309	/nfs/dbraw/zinc/95/53/09/962955309.db2.gz	UDXFUPDRLUSTAG-ZIAGYGMSSA-N	-1	0	289.375	3.091	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC001573350169	962966244	/nfs/dbraw/zinc/96/62/44/962966244.db2.gz	DWPKQFAAVGECFC-UHFFFAOYSA-N	-1	0	289.665	3.188	20	30		CGEDRM
C=CCCOCC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001573360251	963035404	/nfs/dbraw/zinc/03/54/04/963035404.db2.gz	KSCJDNQTUNHRBN-UHFFFAOYSA-N	-1	0	299.326	3.069	20	30		CGEDRM
C=C[C@@H](Nc1cc(C(F)(F)F)ccc1OCC)C(=O)[O-]	ZINC001588702206	963087185	/nfs/dbraw/zinc/08/71/85/963087185.db2.gz	MLQRZPNKAVHOII-SECBINFHSA-N	-1	0	289.253	3.155	20	30		CGEDRM
C#C[C@@H](N[C@@H](CCCC)C(=O)[O-])c1ccc(Cl)cc1	ZINC001588376100	963267546	/nfs/dbraw/zinc/26/75/46/963267546.db2.gz	BHKVFBFXKFRYCP-KGLIPLIRSA-N	-1	0	279.767	3.247	20	30		CGEDRM
CC(=O)c1cccc(C#N)c1OCc1cccc(C(=O)[O-])c1	ZINC001588533626	963278833	/nfs/dbraw/zinc/27/88/33/963278833.db2.gz	AHRKAZYHQKJCSS-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588546338	963287653	/nfs/dbraw/zinc/28/76/53/963287653.db2.gz	HFZMUFIPXYNVOM-ZDUSSCGKSA-N	-1	0	299.326	3.096	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC001588605722	963291438	/nfs/dbraw/zinc/29/14/38/963291438.db2.gz	OIFUTUWKGJXOBV-OAHLLOKOSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C(C)C	ZINC001588621938	963291827	/nfs/dbraw/zinc/29/18/27/963291827.db2.gz	MMUHUWWITQESEO-HNNXBMFYSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)Cc1cccc(Cl)c1	ZINC001588612042	963293989	/nfs/dbraw/zinc/29/39/89/963293989.db2.gz	GQJSJUJODPTAMY-UHFFFAOYSA-N	-1	0	295.766	3.110	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588681713	963297324	/nfs/dbraw/zinc/29/73/24/963297324.db2.gz	DEZVNKSOMRWIGH-AWEZNQCLSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C[C@@H](Nc1ccc(OCC(C)C)c(Cl)c1)C(=O)[O-]	ZINC001588702239	963303321	/nfs/dbraw/zinc/30/33/21/963303321.db2.gz	OARWRSVNSDTKJP-GFCCVEGCSA-N	-1	0	283.755	3.426	20	30		CGEDRM
C=C[C@@H](Nc1cccc(-c2ccc3c(c2)CCO3)c1)C(=O)[O-]	ZINC001588702217	963305080	/nfs/dbraw/zinc/30/50/80/963305080.db2.gz	MXQRMGFAPLIJMS-MRXNPFEDSA-N	-1	0	295.338	3.340	20	30		CGEDRM
C=C[C@H](CC)CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1	ZINC001588693347	963306898	/nfs/dbraw/zinc/30/68/98/963306898.db2.gz	WTTDEZCWNSZXPC-VHSXEESVSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=C[C@@H](Nc1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-]	ZINC001588701891	963306911	/nfs/dbraw/zinc/30/69/11/963306911.db2.gz	CFELTPPFLWPKOX-CQSZACIVSA-N	-1	0	284.315	3.233	20	30		CGEDRM
C=CC[C@@H](Nc1cccc2c1ccn2C(F)F)C(=O)[O-]	ZINC001588751423	963308528	/nfs/dbraw/zinc/30/85/28/963308528.db2.gz	MNGNEEMOGHNXPF-LLVKDONJSA-N	-1	0	280.274	3.478	20	30		CGEDRM
C=CC[C@@H](Nc1cccc(SC(F)F)c1)C(=O)[O-]	ZINC001588751331	963313021	/nfs/dbraw/zinc/31/30/21/963313021.db2.gz	LNDMGEFJLHLZCO-SNVBAGLBSA-N	-1	0	273.304	3.443	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588770778	963314261	/nfs/dbraw/zinc/31/42/61/963314261.db2.gz	GOXUGZHWWBPPIZ-SMDDNHRTSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)C(=O)[O-]	ZINC001588787685	963318218	/nfs/dbraw/zinc/31/82/18/963318218.db2.gz	XSLASYNLIWHNIN-PBHICJAKSA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CCCC(C)(C)OC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588777516	963318437	/nfs/dbraw/zinc/31/84/37/963318437.db2.gz	BZHFTMVYEUUNCE-UHFFFAOYSA-N	-1	0	276.332	3.215	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC001588771465	963318555	/nfs/dbraw/zinc/31/85/55/963318555.db2.gz	VPTQMRRSWVEJSU-SNVBAGLBSA-N	-1	0	294.376	3.266	20	30		CGEDRM
CC(=NNC1CCCCC1)c1cc(C(=O)[O-])cs1	ZINC001589017041	963344393	/nfs/dbraw/zinc/34/43/93/963344393.db2.gz	UDGZHNXRHJXFQK-UHFFFAOYSA-N	-1	0	266.366	3.093	20	30		CGEDRM
N#Cc1sc(Oc2cccc(C(=O)[O-])c2)nc1Cl	ZINC000310954721	963448907	/nfs/dbraw/zinc/44/89/07/963448907.db2.gz	ZNOXXECVSANXRJ-UHFFFAOYSA-N	-1	0	280.692	3.159	20	30		CGEDRM
N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1CC(=O)[O-]	ZINC001605592119	973892899	/nfs/dbraw/zinc/89/28/99/973892899.db2.gz	WDWHPDMKKNICSU-CQSZACIVSA-N	-1	0	292.766	3.041	20	30		CGEDRM
C[C@@H](CC#N)N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC001592221337	977397401	/nfs/dbraw/zinc/39/74/01/977397401.db2.gz	CBKNJYALJKOLCK-CPCISQLKSA-N	-1	0	287.146	3.011	20	30		CGEDRM
Cc1c(Cl)cccc1N=NC(C)CCC(=O)[O-]	ZINC001592469960	978216220	/nfs/dbraw/zinc/21/62/20/978216220.db2.gz	CZIRPIOQNITAEN-UHFFFAOYSA-N	-1	0	254.717	3.301	20	30		CGEDRM
CCC(CC)(CCOC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC001595060637	979318244	/nfs/dbraw/zinc/31/82/44/979318244.db2.gz	XIZZHZIABXWKMN-UHFFFAOYSA-N	-1	0	295.379	3.285	20	30		CGEDRM
C[C@H](Cc1ccc(NCc2ccccc2C#N)cc1)C(=O)[O-]	ZINC001592878266	979749497	/nfs/dbraw/zinc/74/94/97/979749497.db2.gz	YYLXOSOLKDCDLV-CYBMUJFWSA-N	-1	0	294.354	3.434	20	30		CGEDRM
CCCC[C@@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001595634369	981886722	/nfs/dbraw/zinc/88/67/22/981886722.db2.gz	MTIUJQRJDZWSCI-OXFWXOROSA-N	-1	0	269.728	3.108	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1	ZINC001599972945	986038762	/nfs/dbraw/zinc/03/87/62/986038762.db2.gz	CUTQXVVNZYEVAS-JTQLQIEISA-N	-1	0	299.282	3.076	20	30		CGEDRM
Cc1c(C#N)cccc1NCc1ccc(C(=O)[O-])cc1F	ZINC001599974737	986070557	/nfs/dbraw/zinc/07/05/57/986070557.db2.gz	HISIKYCPZJPKKG-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
CCOc1ccc(/C=N/[C@H](C[C@H](C)CC)C(=O)[O-])c(O)c1	ZINC001597081231	986623991	/nfs/dbraw/zinc/62/39/91/986623991.db2.gz	DTUAEFMVGCTFAD-IBMLWKIOSA-N	-1	0	293.363	3.099	20	30		CGEDRM
C[C@@H](SCC(C)(C)C(=O)[O-])c1cccc(C#N)c1	ZINC001593656900	996029492	/nfs/dbraw/zinc/02/94/92/996029492.db2.gz	VBNPDTFYBIBKGY-SNVBAGLBSA-N	-1	0	263.362	3.463	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1OCc1ccc(C)c(C#N)c1	ZINC001599380124	996821802	/nfs/dbraw/zinc/82/18/02/996821802.db2.gz	WYQJVIHJEBUHOA-UHFFFAOYSA-N	-1	0	297.310	3.153	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1ccc(C(=O)[O-])c(Cl)c1	ZINC001594376332	999419237	/nfs/dbraw/zinc/41/92/37/999419237.db2.gz	LOAMIYBMSHOZGU-JTQLQIEISA-N	-1	0	280.755	3.247	20	30		CGEDRM
N#CC1(CSCc2cc([O-])ccc2[N+](=O)[O-])CCC1	ZINC000593196648	347051251	/nfs/dbraw/zinc/05/12/51/347051251.db2.gz	BPDZVFHNDUJVNK-UHFFFAOYSA-N	-1	0	278.333	3.227	20	30		CGEDRM
COC(=O)C[C@H](C)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000016936813	344887128	/nfs/dbraw/zinc/88/71/28/344887128.db2.gz	DZMVBOWNQOZRRV-CKLBDGOISA-N	-1	0	290.146	3.070	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2cc3ccccc3o2)nc(C)n1	ZINC000041574416	344972132	/nfs/dbraw/zinc/97/21/32/344972132.db2.gz	WCPUTNAZORDWJM-ZDUSSCGKSA-N	-1	0	291.310	3.330	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)ccc1NCCCCC(=O)[O-]	ZINC000070200244	345389501	/nfs/dbraw/zinc/38/95/01/345389501.db2.gz	SYEBUFVMKAIGEU-UHFFFAOYSA-N	-1	0	286.253	3.244	20	30		CGEDRM
CCN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000094055575	345894315	/nfs/dbraw/zinc/89/43/15/345894315.db2.gz	GGKFZWCBGQZBOY-UHFFFAOYSA-N	-1	0	288.734	3.184	20	30		CGEDRM
N#CCCCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000597694168	347587948	/nfs/dbraw/zinc/58/79/48/347587948.db2.gz	JFAGPGIFJMVQEJ-UHFFFAOYSA-N	-1	0	298.346	3.195	20	30		CGEDRM
N#Cc1cccnc1/C=C/c1cccc(C(=O)[O-])c1Cl	ZINC000352009477	219287785	/nfs/dbraw/zinc/28/77/85/219287785.db2.gz	WWEVZWCSUYYIQV-VOTSOKGWSA-N	-1	0	284.702	3.475	20	30		CGEDRM
Cc1sc(/C=C\c2ccc(C#N)s2)nc1C(=O)[O-]	ZINC000352035192	219297077	/nfs/dbraw/zinc/29/70/77/219297077.db2.gz	NFYJAQVGUQLBQE-PLNGDYQASA-N	-1	0	276.342	3.253	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000628314178	350495639	/nfs/dbraw/zinc/49/56/39/350495639.db2.gz	PFPNAYWMUVYRTP-UHFFFAOYSA-N	-1	0	269.291	3.003	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-]	ZINC000630236919	350819303	/nfs/dbraw/zinc/81/93/03/350819303.db2.gz	XONQDYITJMNQPD-SNVBAGLBSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634914988	351604131	/nfs/dbraw/zinc/60/41/31/351604131.db2.gz	KCNSFBXAZMESMM-ZFWWWQNUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
Cc1nsc(NC(=O)N2C[C@H](C)c3ccccc32)c1C#N	ZINC000459553517	242128797	/nfs/dbraw/zinc/12/87/97/242128797.db2.gz	YKGMRDXDWNXXOT-VIFPVBQESA-N	-1	0	298.371	3.479	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C(=O)[O-]	ZINC000899294618	620635820	/nfs/dbraw/zinc/63/58/20/620635820.db2.gz	DLZXZIMCKGQGMF-LBPRGKRZSA-N	-1	0	293.363	3.035	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c1	ZINC000046929372	369300063	/nfs/dbraw/zinc/30/00/63/369300063.db2.gz	KPAPDWZCAJEOEY-CYBMUJFWSA-N	-1	0	293.388	3.305	20	30		CGEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1	ZINC000049513439	369404937	/nfs/dbraw/zinc/40/49/37/369404937.db2.gz	PVGCTCUVLYOCJA-UHFFFAOYSA-N	-1	0	295.404	3.157	20	30		CGEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)C1CCCC1	ZINC000049514151	369405205	/nfs/dbraw/zinc/40/52/05/369405205.db2.gz	LJHIUDXNZUYYCA-UHFFFAOYSA-N	-1	0	273.398	3.043	20	30		CGEDRM
CCCCCC[C@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000069376553	369758181	/nfs/dbraw/zinc/75/81/81/369758181.db2.gz	SEMZHCGORWQFAS-NSHDSACASA-N	-1	0	287.367	3.088	20	30		CGEDRM
CC(=O)c1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000158623289	372076164	/nfs/dbraw/zinc/07/61/64/372076164.db2.gz	JRVPCSNQLULJRL-SNVBAGLBSA-N	-1	0	290.369	3.206	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000430518967	372389942	/nfs/dbraw/zinc/38/99/42/372389942.db2.gz	HNMMKKTVRPTBFB-LBPRGKRZSA-N	-1	0	293.326	3.219	20	30		CGEDRM
Cc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1F	ZINC000344392477	217179902	/nfs/dbraw/zinc/17/99/02/217179902.db2.gz	QXBUXUIZVOIUPS-GQCTYLIASA-N	-1	0	282.274	3.269	20	30		CGEDRM
Cc1ccc2c(C[N@@H+](C)CC(C)(C)C#N)ccc(O)c2n1	ZINC000433296557	372585859	/nfs/dbraw/zinc/58/58/59/372585859.db2.gz	IIMDQCHWRZBWCO-UHFFFAOYSA-N	-1	0	283.375	3.230	20	30		CGEDRM
CC(C)(CCNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000302526360	373889771	/nfs/dbraw/zinc/88/97/71/373889771.db2.gz	FTPSMCBUCKMTII-UHFFFAOYSA-N	-1	0	266.728	3.124	20	30		CGEDRM
C=CCC(C)(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000449812723	373932667	/nfs/dbraw/zinc/93/26/67/373932667.db2.gz	VWDUWJBPDFKXOW-UHFFFAOYSA-N	-1	0	287.388	3.168	20	30		CGEDRM
C#CCCCCC(=O)Nc1cccc(Cl)c1[O-]	ZINC000180490559	374014625	/nfs/dbraw/zinc/01/46/25/374014625.db2.gz	YQEWUQAKHNCQRW-UHFFFAOYSA-N	-1	0	251.713	3.178	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)cc2n[nH]nc21	ZINC000328647635	374372256	/nfs/dbraw/zinc/37/22/56/374372256.db2.gz	HQVIWLQEZUQCJY-NXEZZACHSA-N	-1	0	290.342	3.228	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2nccc3sccc32)cc1[O-]	ZINC000188845910	375279236	/nfs/dbraw/zinc/27/92/36/375279236.db2.gz	VNJUOSBMLWLQQN-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
Cc1sc(NC(=O)c2cc(C#N)cs2)c(C#N)c1C	ZINC000336584438	375851530	/nfs/dbraw/zinc/85/15/30/375851530.db2.gz	CDUUSZBXAYRBBP-UHFFFAOYSA-N	-1	0	287.369	3.422	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C3CC3)cn2)n1	ZINC000532294231	375949222	/nfs/dbraw/zinc/94/92/22/375949222.db2.gz	WFJFXFCSWOSUQI-GFCCVEGCSA-N	-1	0	283.356	3.214	20	30		CGEDRM
COc1ccc(-c2cc(C(=O)[O-])n(C(C)C)c2)cc1C#N	ZINC000575331224	377879308	/nfs/dbraw/zinc/87/93/08/377879308.db2.gz	MJKCENWLAITKPD-UHFFFAOYSA-N	-1	0	284.315	3.314	20	30		CGEDRM
CCCOc1ccc(/C=N/CCOCC2CC2)c(O)c1	ZINC000264589931	377990556	/nfs/dbraw/zinc/99/05/56/377990556.db2.gz	ZLPHHDPKCYOFAM-GZTJUZNOSA-N	-1	0	277.364	3.027	20	30		CGEDRM
C=C1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1	ZINC000579967288	378212563	/nfs/dbraw/zinc/21/25/63/378212563.db2.gz	BSCAAMSLHYJVBR-UHFFFAOYSA-N	-1	0	265.740	3.190	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000272692541	378688845	/nfs/dbraw/zinc/68/88/45/378688845.db2.gz	PVPJFIVHYBNVDI-UHFFFAOYSA-N	-1	0	273.332	3.302	20	30		CGEDRM
C=CCn1c(=O)[nH]nc1SCc1cccc(Cl)c1	ZINC000348132595	378805011	/nfs/dbraw/zinc/80/50/11/378805011.db2.gz	MHPRROQBDDAPFN-UHFFFAOYSA-N	-1	0	281.768	3.115	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1	ZINC000275161612	378945398	/nfs/dbraw/zinc/94/53/98/378945398.db2.gz	CGUIDJDIRBKWRJ-GFCCVEGCSA-N	-1	0	287.281	3.347	20	30		CGEDRM
CC(=Cc1ccc2occc2c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000349107037	379162164	/nfs/dbraw/zinc/16/21/64/379162164.db2.gz	JHNOGSNSLSZAJP-YFHOEESVSA-N	-1	0	291.310	3.257	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000398110621	379926173	/nfs/dbraw/zinc/92/61/73/379926173.db2.gz	YJCSUBQYLPROPT-GXTWGEPZSA-N	-1	0	296.411	3.064	20	30		CGEDRM
CCSc1cccc(C([O-])=C(C#N)c2ccncn2)c1	ZINC000354405728	380427047	/nfs/dbraw/zinc/42/70/47/380427047.db2.gz	IXWPSQFGBXBDOX-CYBMUJFWSA-N	-1	0	283.356	3.079	20	30		CGEDRM
CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1	ZINC000354461127	380448025	/nfs/dbraw/zinc/44/80/25/380448025.db2.gz	GTMQXODZOWCILY-CQSZACIVSA-N	-1	0	279.343	3.264	20	30		CGEDRM
C=C(CC)CSc1n[n-]c(=NCc2ccco2)s1	ZINC000358566932	381315355	/nfs/dbraw/zinc/31/53/55/381315355.db2.gz	WZPJAWHJMGNXBH-UHFFFAOYSA-N	-1	0	281.406	3.223	20	30		CGEDRM
C=CCCS(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1	ZINC000290596308	392452174	/nfs/dbraw/zinc/45/21/74/392452174.db2.gz	YFSCBPIAMXKQTN-UHFFFAOYSA-N	-1	0	297.424	3.015	20	30		CGEDRM
C=CC[C@H]1N(C(=O)CCCCC(=O)[O-])CCCC1(C)C	ZINC000668320707	543006206	/nfs/dbraw/zinc/00/62/06/543006206.db2.gz	GBNLETYSKXKRKS-CYBMUJFWSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)C[C@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000668321438	543006586	/nfs/dbraw/zinc/00/65/86/543006586.db2.gz	STELBUYJSXEBDH-STQMWFEESA-N	-1	0	281.396	3.081	20	30		CGEDRM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000007057239	170265141	/nfs/dbraw/zinc/26/51/41/170265141.db2.gz	XBWKMXPHYPWDBG-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21	ZINC000659193854	418964886	/nfs/dbraw/zinc/96/48/86/418964886.db2.gz	QZAWJJHIFMITBH-LJISPDSOSA-N	-1	0	293.407	3.081	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1C	ZINC000353554749	228119852	/nfs/dbraw/zinc/11/98/52/228119852.db2.gz	LMZSUOAGVOPMRY-CYBMUJFWSA-N	-1	0	293.326	3.273	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C)C1	ZINC000076756411	260166565	/nfs/dbraw/zinc/16/65/65/260166565.db2.gz	XDSFSCUTLUBOQW-WCQYABFASA-N	-1	0	295.404	3.467	20	30		CGEDRM
C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000076765579	260166651	/nfs/dbraw/zinc/16/66/51/260166651.db2.gz	YQUWMZIBWWUUPC-QWRGUYRKSA-N	-1	0	299.367	3.297	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361541657	261325664	/nfs/dbraw/zinc/32/56/64/261325664.db2.gz	RNRCJRCSRJUMIF-CYBMUJFWSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CC1=C(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000330631998	264000190	/nfs/dbraw/zinc/00/01/90/264000190.db2.gz	GZSLMVWVDLIVRS-UHFFFAOYSA-N	-1	0	262.265	3.389	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)s1)c1nc2ccccc2o1	ZINC000429730285	268207352	/nfs/dbraw/zinc/20/73/52/268207352.db2.gz	DKCNKKKKJIOBQO-SNVBAGLBSA-N	-1	0	293.307	3.251	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C	ZINC000192901374	277781583	/nfs/dbraw/zinc/78/15/83/277781583.db2.gz	ANCHUAHONALMJW-UKRRQHHQSA-N	-1	0	289.375	3.229	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccc(C(=O)[O-])cc2F)c1	ZINC000065350549	303191995	/nfs/dbraw/zinc/19/19/95/303191995.db2.gz	KWJDDTPAMQZKTQ-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1cccc(CSc2nc(C(F)F)cc(=O)[nH]2)c1	ZINC000564391790	322029517	/nfs/dbraw/zinc/02/95/17/322029517.db2.gz	LJRZDDSQRACMGW-UHFFFAOYSA-N	-1	0	293.298	3.284	20	30		CGEDRM
CC(C)(C)c1[n-]n(CC2CC(F)(F)C2)c(=O)c1CCC#N	ZINC000418899656	329680278	/nfs/dbraw/zinc/68/02/78/329680278.db2.gz	LJBDABQBXNMURF-UHFFFAOYSA-N	-1	0	297.349	3.388	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000263527428	330058921	/nfs/dbraw/zinc/05/89/21/330058921.db2.gz	KPUMZMXPDIUXAE-CYBMUJFWSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=C(C)CN(C)C(=O)c1cc2ccccc2cc1O	ZINC000165910673	331306505	/nfs/dbraw/zinc/30/65/05/331306505.db2.gz	XNBPKVFUMZRWEK-UHFFFAOYSA-N	-1	0	255.317	3.194	20	30		CGEDRM
N#CC(=C([O-])c1scnc1C1CCCC1)c1ccncn1	ZINC000546860288	334052021	/nfs/dbraw/zinc/05/20/21/334052021.db2.gz	OEVJCZSFALHFBX-LLVKDONJSA-N	-1	0	298.371	3.081	20	30		CGEDRM
Cc1c(C#N)cccc1-c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000436877833	533715693	/nfs/dbraw/zinc/71/56/93/533715693.db2.gz	HVUZFORHIOWOEC-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
C=C[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1	ZINC000263275647	534514466	/nfs/dbraw/zinc/51/44/66/534514466.db2.gz	QONGBWWWJJHKEM-ZDUSSCGKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#CC(=C([O-])c1occ2c1CCC2)c1nc2ccccc2o1	ZINC000353647898	534739881	/nfs/dbraw/zinc/73/98/81/534739881.db2.gz	SWLXIQNUAWHSPC-GFCCVEGCSA-N	-1	0	292.294	3.400	20	30		CGEDRM
COc1ccc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000738069623	571702506	/nfs/dbraw/zinc/70/25/06/571702506.db2.gz	NOQKHAJEYTXJLN-OAHLLOKOSA-N	-1	0	299.351	3.485	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728439202	571805975	/nfs/dbraw/zinc/80/59/75/571805975.db2.gz	XFUJYDZKVGQEGP-XQRVVYSFSA-N	-1	0	294.713	3.123	20	30		CGEDRM
O=C([O-])N1CCc2c(cccc2N=Cc2ccccc2O)C1	ZINC000740527546	571816036	/nfs/dbraw/zinc/81/60/36/571816036.db2.gz	ZUHZGNTVNSKBHZ-UHFFFAOYSA-N	-1	0	296.326	3.179	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cccnc2Cl)cs1	ZINC000730148642	571951712	/nfs/dbraw/zinc/95/17/12/571951712.db2.gz	IRUQMZKPNDPLKF-ONEGZZNKSA-N	-1	0	293.731	3.391	20	30		CGEDRM
CCc1ccc(CON=Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000737266404	572335878	/nfs/dbraw/zinc/33/58/78/572335878.db2.gz	LUQJOUDDLMCFMV-UHFFFAOYSA-N	-1	0	283.327	3.498	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(O)cc2)s1	ZINC000730590471	572364835	/nfs/dbraw/zinc/36/48/35/572364835.db2.gz	NKLWCQJBGDTZPJ-ZZXKWVIFSA-N	-1	0	274.297	3.048	20	30		CGEDRM
CC(C)[C@H](C)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000739426204	572414230	/nfs/dbraw/zinc/41/42/30/572414230.db2.gz	KCAZOPSSSHEOHH-DOQDJBIESA-N	-1	0	250.298	3.011	20	30		CGEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])cc1F	ZINC000731486917	572414913	/nfs/dbraw/zinc/41/49/13/572414913.db2.gz	ZKGPDLMGJVPHAJ-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CCc1ccccc1N=NC1CCC[C@H]1CNC(=O)[O-]	ZINC000739550398	572419520	/nfs/dbraw/zinc/41/95/20/572419520.db2.gz	RPGUOVWMXYQNLM-LBPRGKRZSA-N	-1	0	275.352	3.085	20	30		CGEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cccc(Cl)c1F	ZINC000740621762	572449098	/nfs/dbraw/zinc/44/90/98/572449098.db2.gz	ZCBKPTSJVOGIMH-MRVPVSSYSA-N	-1	0	299.733	3.315	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc3ccccc3n2)c1	ZINC000741451150	572498340	/nfs/dbraw/zinc/49/83/40/572498340.db2.gz	LMZUOEXUFASZGY-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C=CCCCSCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000736102514	572767985	/nfs/dbraw/zinc/76/79/85/572767985.db2.gz	MGVZAFTXCCYCHD-UHFFFAOYSA-N	-1	0	279.361	3.023	20	30		CGEDRM
C=CC[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736096996	572768146	/nfs/dbraw/zinc/76/81/46/572768146.db2.gz	VCRCSHAEFQSYSX-QEHWCHDUSA-N	-1	0	276.292	3.069	20	30		CGEDRM
C=CC1CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1	ZINC000736096370	572768364	/nfs/dbraw/zinc/76/83/64/572768364.db2.gz	MFOGZPVTVSQZDT-UHFFFAOYSA-N	-1	0	289.335	3.206	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736097396	572768722	/nfs/dbraw/zinc/76/87/22/572768722.db2.gz	KJYAXHAGPQHVOB-UHFFFAOYSA-N	-1	0	295.314	3.346	20	30		CGEDRM
CCCCCCCC(=O)N(C)c1nc(CC(=O)[O-])cs1	ZINC000736983497	572832374	/nfs/dbraw/zinc/83/23/74/572832374.db2.gz	NEKJLICSQLRCHV-UHFFFAOYSA-N	-1	0	298.408	3.094	20	30		CGEDRM
CCOc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737212211	572866018	/nfs/dbraw/zinc/86/60/18/572866018.db2.gz	BJWUAMCLAATFIG-INIZCTEOSA-N	-1	0	296.326	3.195	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cc3ccccc3[nH]2)c1	ZINC000746681562	572891673	/nfs/dbraw/zinc/89/16/73/572891673.db2.gz	LASMVQSZUZZSEG-MFOYZWKCSA-N	-1	0	295.298	3.401	20	30		CGEDRM
C/C(=C/C(=O)Nc1cc(C#N)ccc1[O-])c1ccc(F)cc1	ZINC000748410642	572976041	/nfs/dbraw/zinc/97/60/41/572976041.db2.gz	BPTNJPQITQLXPC-FLIBITNWSA-N	-1	0	296.301	3.445	20	30		CGEDRM
N#Cc1cccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c1	ZINC000748442142	572977270	/nfs/dbraw/zinc/97/72/70/572977270.db2.gz	WVAWNJVKLQWWAJ-GUBXDBFYSA-N	-1	0	282.324	3.283	20	30		CGEDRM
N#Cc1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc1	ZINC000748441723	572977315	/nfs/dbraw/zinc/97/73/15/572977315.db2.gz	TYEXQDIMLCWNIL-SFECMWDFSA-N	-1	0	282.324	3.283	20	30		CGEDRM
O=C([O-])COc1ccc(/C=C\C(=O)c2ccsc2)cc1	ZINC000749104050	572989086	/nfs/dbraw/zinc/98/90/86/572989086.db2.gz	IVMAFQXPIYLXSU-UTCJRWHESA-N	-1	0	288.324	3.108	20	30		CGEDRM
COc1cccc(O)c1/C=N\CCc1cccc(C)c1	ZINC000749103957	572989092	/nfs/dbraw/zinc/98/90/92/572989092.db2.gz	FYTMLHPOHZYGJW-PDGQHHTCSA-N	-1	0	269.344	3.371	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2ccc(F)cc2F)cc1F	ZINC000749853053	573048029	/nfs/dbraw/zinc/04/80/29/573048029.db2.gz	BOITZVXFIVCVOM-UHFFFAOYSA-N	-1	0	284.212	3.395	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)C(C)C	ZINC000168251103	599824186	/nfs/dbraw/zinc/82/41/86/599824186.db2.gz	DGAXJHZQJODLFU-UHFFFAOYSA-N	-1	0	290.363	3.132	20	30		CGEDRM
Cc1cc(C)c2ncc(C#N)c(NCCCC(=O)[O-])c2c1	ZINC000263428214	597312792	/nfs/dbraw/zinc/31/27/92/597312792.db2.gz	RVSMSYAZQNREJW-UHFFFAOYSA-N	-1	0	283.331	3.000	20	30		CGEDRM
N#Cc1ccc(SCc2ccoc2C(=O)[O-])cc1	ZINC000833073767	600837658	/nfs/dbraw/zinc/83/76/58/600837658.db2.gz	HQWDCPCTXDEXQC-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
CC(C)(C#N)CCCN1CCCc2c(C(=O)[O-])cccc21	ZINC000087599967	601113218	/nfs/dbraw/zinc/11/32/18/601113218.db2.gz	WQJGAIMZYFMYDW-UHFFFAOYSA-N	-1	0	286.375	3.467	20	30		CGEDRM
C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000827860191	601132677	/nfs/dbraw/zinc/13/26/77/601132677.db2.gz	AWZKLFBCBQIWMZ-NSHDSACASA-N	-1	0	295.294	3.174	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(C)C	ZINC000162347725	601138677	/nfs/dbraw/zinc/13/86/77/601138677.db2.gz	GHDVCFXGZPEJMD-UHFFFAOYSA-N	-1	0	276.336	3.122	20	30		CGEDRM
Cc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C	ZINC000832949426	601297970	/nfs/dbraw/zinc/29/79/70/601297970.db2.gz	WINIDMHXNLOAQU-MRXNPFEDSA-N	-1	0	280.327	3.413	20	30		CGEDRM
C[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccc(C(=O)[O-])o1	ZINC000827809075	601462573	/nfs/dbraw/zinc/46/25/73/601462573.db2.gz	DDUNPGJIAJNPFL-SNVBAGLBSA-N	-1	0	291.303	3.056	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])o1	ZINC000830228895	601510431	/nfs/dbraw/zinc/51/04/31/601510431.db2.gz	HHCGXLSYZXNFMR-HWKANZROSA-N	-1	0	260.245	3.029	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c[nH]1	ZINC000833297274	601793452	/nfs/dbraw/zinc/79/34/52/601793452.db2.gz	DSNKDUMBBAFOKX-DAFODLJHSA-N	-1	0	298.273	3.229	20	30		CGEDRM
CCOc1cccc(/C=N\Cc2cccc(C(=O)[O-])c2)c1O	ZINC000830100136	601845182	/nfs/dbraw/zinc/84/51/82/601845182.db2.gz	WUIZJGOEPNITHU-WQRHYEAKSA-N	-1	0	299.326	3.108	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C(F)(F)F)cc2)c1=O	ZINC000899349047	620653541	/nfs/dbraw/zinc/65/35/41/620653541.db2.gz	UGCBYTUAQVCDGR-LBPRGKRZSA-N	-1	0	280.249	3.067	20	30		CGEDRM
N#Cc1ccccc1CNc1ccc(C(=O)[O-])c(F)c1	ZINC000833075003	602302732	/nfs/dbraw/zinc/30/27/32/602302732.db2.gz	ITGGHAVQUZHZBS-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
C=CCCCC(=O)Nc1cccc(CN(C)C(=O)[O-])c1	ZINC000823496446	603839345	/nfs/dbraw/zinc/83/93/45/603839345.db2.gz	JTJNLIHNSIYGBD-UHFFFAOYSA-N	-1	0	276.336	3.091	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2ccc(Cl)c(F)c2)CC1	ZINC000831869048	603861380	/nfs/dbraw/zinc/86/13/80/603861380.db2.gz	HGBFEMCIBCODOY-UHFFFAOYSA-N	-1	0	299.733	3.267	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(Nc2ncccc2C#N)cc1	ZINC000825453428	604202975	/nfs/dbraw/zinc/20/29/75/604202975.db2.gz	JKCQEXQEHJIULJ-SNVBAGLBSA-N	-1	0	282.303	3.025	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(CNc2ccc(C#N)cc2)cc1	ZINC000825402016	604346054	/nfs/dbraw/zinc/34/60/54/604346054.db2.gz	HDJNNMBBXWXMDM-LBPRGKRZSA-N	-1	0	295.342	3.499	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000119019687	604395834	/nfs/dbraw/zinc/39/58/34/604395834.db2.gz	INXDZXJMHLJBHK-QPJJXVBHSA-N	-1	0	256.257	3.182	20	30		CGEDRM
Cc1cc([C@@H](C)OC(=O)c2cccc(C#N)c2)oc1C(=O)[O-]	ZINC000832873421	604544853	/nfs/dbraw/zinc/54/48/53/604544853.db2.gz	CGYJCKAIHQRQHZ-SNVBAGLBSA-N	-1	0	299.282	3.076	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(F)c2)cc1	ZINC000833309601	604628166	/nfs/dbraw/zinc/62/81/66/604628166.db2.gz	CRXSPDYHLLPLIH-RUDMXATFSA-N	-1	0	270.259	3.420	20	30		CGEDRM
Cc1cc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])nc(C)n1	ZINC000814807336	604637947	/nfs/dbraw/zinc/63/79/47/604637947.db2.gz	PVHJFLMROPYUNF-JTQLQIEISA-N	-1	0	292.383	3.162	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000763377453	604667576	/nfs/dbraw/zinc/66/75/76/604667576.db2.gz	OYJKMNIFEBOZGT-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C=C(C)CNc1nc(-c2cccc(C(=O)[O-])c2)cs1	ZINC000833369247	604741943	/nfs/dbraw/zinc/74/19/43/604741943.db2.gz	MSXSUNXTQZRFSL-UHFFFAOYSA-N	-1	0	274.345	3.496	20	30		CGEDRM
C=CCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccccc1	ZINC000833374803	604790033	/nfs/dbraw/zinc/79/00/33/604790033.db2.gz	FUCZRYHVDAPWGI-UHFFFAOYSA-N	-1	0	295.338	3.147	20	30		CGEDRM
C[C@@H]1C/C(=C/c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21	ZINC000833588169	605052153	/nfs/dbraw/zinc/05/21/53/605052153.db2.gz	ONOIEPWXQOKVJS-QLWWJYNRSA-N	-1	0	281.311	3.486	20	30		CGEDRM
C=CCn1c2ccccc2nc1S[C@H](C(=O)[O-])C1CC1	ZINC000833380498	605069878	/nfs/dbraw/zinc/06/98/78/605069878.db2.gz	HWOIMCCRAYOWQY-ZDUSSCGKSA-N	-1	0	288.372	3.178	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1ccccc1CC(=O)[O-]	ZINC000833482893	605071719	/nfs/dbraw/zinc/07/17/19/605071719.db2.gz	BSBHMVQWBNROAY-UHFFFAOYSA-N	-1	0	288.391	3.075	20	30		CGEDRM
C=CCC[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)C1CC1	ZINC000833372907	605119080	/nfs/dbraw/zinc/11/90/80/605119080.db2.gz	ANIMTQWUQMBTSG-JXQTWKCFSA-N	-1	0	280.364	3.165	20	30		CGEDRM
C#CCCCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000235804787	605214696	/nfs/dbraw/zinc/21/46/96/605214696.db2.gz	WWWRBKSRDQKRGC-UHFFFAOYSA-N	-1	0	279.361	3.195	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000135302032	605396406	/nfs/dbraw/zinc/39/64/06/605396406.db2.gz	QDIXPTXJTRHHPK-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cccs1	ZINC000833387220	605594690	/nfs/dbraw/zinc/59/46/90/605594690.db2.gz	VIRZYJJLAHZHFJ-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
C#CCCCCCC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833361869	605629512	/nfs/dbraw/zinc/62/95/12/605629512.db2.gz	PXBUQRPKRXPBJW-UHFFFAOYSA-N	-1	0	292.306	3.321	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1	ZINC000899855346	620731788	/nfs/dbraw/zinc/73/17/88/620731788.db2.gz	VMFQITLAQWILSD-NSHDSACASA-N	-1	0	261.321	3.159	20	30		CGEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000255005803	617723538	/nfs/dbraw/zinc/72/35/38/617723538.db2.gz	FUZDJWJWUABIEA-BAQGIRSFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1ccc([O-])c(F)c1	ZINC000255017931	617743596	/nfs/dbraw/zinc/74/35/96/617743596.db2.gz	ZFVGELCHDTUWCR-RJRFIUFISA-N	-1	0	276.238	3.272	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000255057293	617813049	/nfs/dbraw/zinc/81/30/49/617813049.db2.gz	PAQZFDBZWXRKKV-OQFOIZHKSA-N	-1	0	299.282	3.205	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccsc2)c([O-])c1	ZINC000255120016	617946029	/nfs/dbraw/zinc/94/60/29/617946029.db2.gz	OQORHFPZBNFQQV-DJWKRKHSSA-N	-1	0	260.314	3.358	20	30		CGEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1cc(F)ccc1[O-]	ZINC000255345169	618211597	/nfs/dbraw/zinc/21/15/97/618211597.db2.gz	UQLKSCBXJIVUBO-RJRFIUFISA-N	-1	0	276.238	3.272	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077880575	618218015	/nfs/dbraw/zinc/21/80/15/618218015.db2.gz	QWELEGGXDPTCAR-NSHDSACASA-N	-1	0	283.393	3.470	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077881085	618218060	/nfs/dbraw/zinc/21/80/60/618218060.db2.gz	WTTCMGSAHMIWIJ-LLVKDONJSA-N	-1	0	267.350	3.000	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1	ZINC000042343285	620788898	/nfs/dbraw/zinc/78/88/98/620788898.db2.gz	SMLYZHJBTXXBJD-LBPRGKRZSA-N	-1	0	283.393	3.267	20	30		CGEDRM
N#Cc1c(N[C@H]2CCC[C@H]2C(=O)[O-])cccc1C(F)F	ZINC000900976991	620822517	/nfs/dbraw/zinc/82/25/17/620822517.db2.gz	PULRZFKYKPSUIY-KOLCDFICSA-N	-1	0	280.274	3.161	20	30		CGEDRM
O=C(/C=C\c1cccc2c1OCCO2)c1ccccc1[O-]	ZINC000255520991	618653999	/nfs/dbraw/zinc/65/39/99/618653999.db2.gz	SAGOEFIIXFPNCK-HJWRWDBZSA-N	-1	0	282.295	3.060	20	30		CGEDRM
Cc1ccc2ncc(/C=C\C(=O)c3cc(F)ccc3[O-])n2c1	ZINC000255896191	618866594	/nfs/dbraw/zinc/86/65/94/618866594.db2.gz	NICVJPJSSLKWPW-XQRVVYSFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000313949534	619203418	/nfs/dbraw/zinc/20/34/18/619203418.db2.gz	JTDAEINYMMDKBC-ZIAGYGMSSA-N	-1	0	298.427	3.099	20	30		CGEDRM
CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086054393	619393067	/nfs/dbraw/zinc/39/30/67/619393067.db2.gz	BVQBNHWZXOZDJY-UHFFFAOYSA-N	-1	0	275.414	3.288	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])cs2)CC1	ZINC000909516547	619807870	/nfs/dbraw/zinc/80/78/70/619807870.db2.gz	YZDYJOVRBLWEQW-UHFFFAOYSA-N	-1	0	265.334	3.131	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)no1	ZINC000798232044	620257783	/nfs/dbraw/zinc/25/77/83/620257783.db2.gz	YSZYMYGYSWCCOL-WAYWQWQTSA-N	-1	0	291.690	3.231	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000103026554	620312698	/nfs/dbraw/zinc/31/26/98/620312698.db2.gz	GQUJUYRCDKOOAM-WCIBSUBMSA-N	-1	0	282.295	3.290	20	30		CGEDRM
Cc1c(C#N)c(N[C@@H]2CCC[C@@H]2C(=O)[O-])nc2ccccc12	ZINC000900976876	620822679	/nfs/dbraw/zinc/82/26/79/620822679.db2.gz	NOHLBWSHWHOIGU-SWLSCSKDSA-N	-1	0	295.342	3.080	20	30		CGEDRM
C=C(Cl)C[C@@H](N[C@@H](C)c1cc2cnccc2o1)C(=O)[O-]	ZINC000901937724	621069943	/nfs/dbraw/zinc/06/99/43/621069943.db2.gz	DGINJIOSBVIMPM-GXSJLCMTSA-N	-1	0	294.738	3.074	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(C)cc1C)C(=O)[O-]	ZINC000905016119	622028224	/nfs/dbraw/zinc/02/82/24/622028224.db2.gz	QAFPZRUBPQFNRN-CQSZACIVSA-N	-1	0	290.363	3.234	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000905123282	622039858	/nfs/dbraw/zinc/03/98/58/622039858.db2.gz	DZFOWHSEVADAGF-APIJFGDWSA-N	-1	0	293.407	3.129	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cccc(F)n1	ZINC000814927718	625535315	/nfs/dbraw/zinc/53/53/15/625535315.db2.gz	BNAFOIBVOSALLY-UHFFFAOYSA-N	-1	0	281.331	3.434	20	30		CGEDRM
CC(C)(C)c1coc(C=NNc2ccccc2C(=O)[O-])n1	ZINC000905431106	622075151	/nfs/dbraw/zinc/07/51/51/622075151.db2.gz	MKAYSDBWJNRSSP-UHFFFAOYSA-N	-1	0	287.319	3.116	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000907547355	622301265	/nfs/dbraw/zinc/30/12/65/622301265.db2.gz	RMBGPGWPOJUYLM-FZMZJTMJSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=CC1(CC(=O)NCCC(C)(C)C(=O)[O-])CCCCC1	ZINC000907668064	622306349	/nfs/dbraw/zinc/30/63/49/622306349.db2.gz	MBUXTLJSSVNZFI-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C1CCC(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000909000667	622382877	/nfs/dbraw/zinc/38/28/77/622382877.db2.gz	BNWCIQOUVZJOHY-HNNXBMFYSA-N	-1	0	287.359	3.017	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000909067382	622388980	/nfs/dbraw/zinc/38/89/80/622388980.db2.gz	RMGIZVDIMVZMQH-DOMZBBRYSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C#CCC1(C(=O)NCCCCCCC(=O)[O-])CCCCC1	ZINC000909145655	622400257	/nfs/dbraw/zinc/40/02/57/622400257.db2.gz	KOXVRVDAQLTGLZ-UHFFFAOYSA-N	-1	0	293.407	3.112	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000910366684	622478380	/nfs/dbraw/zinc/47/83/80/622478380.db2.gz	HGJZZHPEZOWRHI-SJKOYZFVSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000910366682	622478734	/nfs/dbraw/zinc/47/87/34/622478734.db2.gz	HGJZZHPEZOWRHI-PXAZEXFGSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000910366649	622478966	/nfs/dbraw/zinc/47/89/66/622478966.db2.gz	GPOLOCSGKHLHFS-GFCCVEGCSA-N	-1	0	287.359	3.194	20	30		CGEDRM
CCOc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O	ZINC000156604042	622827352	/nfs/dbraw/zinc/82/73/52/622827352.db2.gz	WPRFHIWEKZSZPU-VQHVLOKHSA-N	-1	0	284.311	3.393	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)c([O-])c1	ZINC000156705312	622835902	/nfs/dbraw/zinc/83/59/02/622835902.db2.gz	NCAIBNUTGMEEFB-WEVVVXLNSA-N	-1	0	254.285	3.302	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1	ZINC000045098568	622842755	/nfs/dbraw/zinc/84/27/55/622842755.db2.gz	RCOUSDOPJKMJDJ-UHFFFAOYSA-N	-1	0	281.377	3.084	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000059270231	623002546	/nfs/dbraw/zinc/00/25/46/623002546.db2.gz	BNTFGFKNOTZXES-GQCTYLIASA-N	-1	0	294.266	3.068	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000059270284	623002646	/nfs/dbraw/zinc/00/26/46/623002646.db2.gz	QYOGUTDGMURORN-RMKNXTFCSA-N	-1	0	277.279	3.153	20	30		CGEDRM
C=CCON=C(C)CCc1ccc(OCCC(=O)[O-])cc1	ZINC000835016181	623857888	/nfs/dbraw/zinc/85/78/88/623857888.db2.gz	WOIDHGOLPPLBEY-UHFFFAOYSA-N	-1	0	291.347	3.051	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc(O)c(Cl)c2)c1	ZINC000921252349	624575858	/nfs/dbraw/zinc/57/58/58/624575858.db2.gz	CKZXNEUFMLZSNL-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2=O	ZINC000921264321	624577720	/nfs/dbraw/zinc/57/77/20/624577720.db2.gz	QVGBDFSJWRJAEC-NTUHNPAUSA-N	-1	0	295.294	3.431	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(F)c2F)c1	ZINC000921261433	624577948	/nfs/dbraw/zinc/57/79/48/624577948.db2.gz	PAPOIUWVFOQFCP-UHFFFAOYSA-N	-1	0	278.214	3.329	20	30		CGEDRM
N#Cc1cccc(NN=Cc2ccc([O-])c(Cl)c2)c1	ZINC000921258262	624578369	/nfs/dbraw/zinc/57/83/69/624578369.db2.gz	BZNQIJHOMROROV-UHFFFAOYSA-N	-1	0	271.707	3.363	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(C)cc1	ZINC000069574841	624868833	/nfs/dbraw/zinc/86/88/33/624868833.db2.gz	CQACWJORWKHCIG-UHFFFAOYSA-N	-1	0	283.393	3.014	20	30		CGEDRM
CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000070029464	624941323	/nfs/dbraw/zinc/94/13/23/624941323.db2.gz	BXUGMNHBHLGNPS-JTQLQIEISA-N	-1	0	289.422	3.466	20	30		CGEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)C(CC)CC)s1	ZINC000073837745	626070650	/nfs/dbraw/zinc/07/06/50/626070650.db2.gz	OTAFCSGHFBFRQH-UHFFFAOYSA-N	-1	0	289.422	3.134	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2o1	ZINC000788082259	626095524	/nfs/dbraw/zinc/09/55/24/626095524.db2.gz	YKMQYYSUDFTDHO-GUOLPTJISA-N	-1	0	277.283	3.046	20	30		CGEDRM
CC(=NOC1CCCC1)c1cc(F)cc(F)c1[O-]	ZINC000774600928	626178374	/nfs/dbraw/zinc/17/83/74/626178374.db2.gz	AEDVLGKANUNJBW-UHFFFAOYSA-N	-1	0	255.264	3.354	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1cc(F)cc(F)c1	ZINC000751130317	626376714	/nfs/dbraw/zinc/37/67/14/626376714.db2.gz	IDOIZNASSJIYCS-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=Nn1cnc2ccccc21	ZINC000753163709	626446840	/nfs/dbraw/zinc/44/68/40/626446840.db2.gz	SPKPWZGDLOVUTR-UHFFFAOYSA-N	-1	0	271.707	3.278	20	30		CGEDRM
O=C([O-])c1csc(C=NNc2ccc(F)cc2F)c1	ZINC000755464379	626624134	/nfs/dbraw/zinc/62/41/34/626624134.db2.gz	PJGDXYWQXDMDPR-UHFFFAOYSA-N	-1	0	282.271	3.171	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCCC1(C)C	ZINC000756898756	626739586	/nfs/dbraw/zinc/73/95/86/626739586.db2.gz	BHUSTSZKWFRNCY-UHFFFAOYSA-N	-1	0	276.336	3.371	20	30		CGEDRM
N#CCOc1cccc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC000757474205	626781779	/nfs/dbraw/zinc/78/17/79/626781779.db2.gz	KQNRPXMBUJDKBN-CMDGGOBGSA-N	-1	0	279.295	3.191	20	30		CGEDRM
O=C(/C=C/c1cccc2c1OCO2)c1ccc(F)cc1[O-]	ZINC000757474559	626782004	/nfs/dbraw/zinc/78/20/04/626782004.db2.gz	CHWPAWUIWQCMLD-QPJJXVBHSA-N	-1	0	286.258	3.156	20	30		CGEDRM
N#CCOc1cccc(/C=C\C(=O)c2ccc(F)cc2[O-])c1	ZINC000757476223	626782357	/nfs/dbraw/zinc/78/23/57/626782357.db2.gz	OTMSRJRUYNVARQ-DAXSKMNVSA-N	-1	0	297.285	3.330	20	30		CGEDRM
CCC1(CC)C(N=Nc2ccc(C(=O)[O-])cc2)C[C@H]1OC	ZINC000762601534	627117083	/nfs/dbraw/zinc/11/70/83/627117083.db2.gz	BDOMCXRACQQTCB-CQSZACIVSA-N	-1	0	290.363	3.378	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cc(F)c(F)cc2F)c1	ZINC000767744744	627433554	/nfs/dbraw/zinc/43/35/54/627433554.db2.gz	SWYRJMAECPIUNM-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
COC(=O)c1cccc(NN=C(C)c2sccc2[O-])c1	ZINC000769797900	627579097	/nfs/dbraw/zinc/57/90/97/627579097.db2.gz	GYRCPPPIHKEQGT-UHFFFAOYSA-N	-1	0	290.344	3.076	20	30		CGEDRM
CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000769822293	627581885	/nfs/dbraw/zinc/58/18/85/627581885.db2.gz	HUOTZWTYMCSWHK-UHFFFAOYSA-N	-1	0	295.295	3.337	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C/c2ccc(F)c(C#N)c2)c1	ZINC000770572648	627627508	/nfs/dbraw/zinc/62/75/08/627627508.db2.gz	QOCGHNZQKMZGSV-ZZXKWVIFSA-N	-1	0	297.285	3.308	20	30		CGEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(C#N)cc1	ZINC000773025019	627843993	/nfs/dbraw/zinc/84/39/93/627843993.db2.gz	LURDMRJICWQUSS-UHFFFAOYSA-N	-1	0	293.326	3.483	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1	ZINC000774140194	627950206	/nfs/dbraw/zinc/95/02/06/627950206.db2.gz	UPNXXHRVGJMOKX-KPKJPENVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cn1	ZINC000774301360	627973934	/nfs/dbraw/zinc/97/39/34/627973934.db2.gz	LSNHXBKVAWXFBH-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1F	ZINC000776726263	628227372	/nfs/dbraw/zinc/22/73/72/628227372.db2.gz	IAHAPMUHMOGSSV-FPYGCLRLSA-N	-1	0	295.269	3.292	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/Cc3ccc(F)cc3C2=O)c1	ZINC000782206125	628624556	/nfs/dbraw/zinc/62/45/56/628624556.db2.gz	GGTBDJBCQKAIAZ-WTKPLQERSA-N	-1	0	288.299	3.408	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000782324100	628638501	/nfs/dbraw/zinc/63/85/01/628638501.db2.gz	BLKNAKQPZRLXJY-DUXPYHPUSA-N	-1	0	291.303	3.185	20	30		CGEDRM
N#CC(=C([O-])c1cc2cccc(Cl)c2o1)c1ccncn1	ZINC000783134095	628679935	/nfs/dbraw/zinc/67/99/35/628679935.db2.gz	LMELZUIYBGMWRV-JTQLQIEISA-N	-1	0	297.701	3.366	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cncs2)c(Cl)c1	ZINC000787173260	628999963	/nfs/dbraw/zinc/99/99/63/628999963.db2.gz	ZRKOQCXKTAQGPR-ONEGZZNKSA-N	-1	0	293.731	3.391	20	30		CGEDRM
N#Cc1cnc2c(c1)CC/C(=C\c1ccc(O)c(F)c1)C2=O	ZINC000788354868	629046814	/nfs/dbraw/zinc/04/68/14/629046814.db2.gz	NWDVHHMNEWRBSJ-WLRTZDKTSA-N	-1	0	294.285	3.010	20	30		CGEDRM
CC(C)CON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000789033115	629098152	/nfs/dbraw/zinc/09/81/52/629098152.db2.gz	CQURKASURYVGLZ-CYBMUJFWSA-N	-1	0	261.321	3.025	20	30		CGEDRM
Cc1cc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])n(C)n1	ZINC000790576390	629218513	/nfs/dbraw/zinc/21/85/13/629218513.db2.gz	YMMKEZQVAZZPML-OMCISZLKSA-N	-1	0	298.173	3.360	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793058557	629406256	/nfs/dbraw/zinc/40/62/56/629406256.db2.gz	VPNJAVRKXXXFSW-OLZOCXBDSA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000793158151	629418218	/nfs/dbraw/zinc/41/82/18/629418218.db2.gz	DIKIXHVFGXCLJB-SECBINFHSA-N	-1	0	266.297	3.087	20	30		CGEDRM
CC(N=Nc1cccc(Cl)n1)c1ccc(C(=O)[O-])cc1	ZINC000793175023	629422302	/nfs/dbraw/zinc/42/23/02/629422302.db2.gz	QRHKJGKDHZYETR-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
O=C([O-])c1cc(N=NC[C@H]2CC23CC3)ccc1Cl	ZINC000863065532	629466896	/nfs/dbraw/zinc/46/68/96/629466896.db2.gz	XJVDWWLFGGVTLU-MRVPVSSYSA-N	-1	0	264.712	3.236	20	30		CGEDRM
Cc1ccoc1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000793654362	629493530	/nfs/dbraw/zinc/49/35/30/629493530.db2.gz	KBDXVOZWVSKNMP-UUASQNMZSA-N	-1	0	294.694	3.474	20	30		CGEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccnc(F)c1	ZINC000794721476	629571596	/nfs/dbraw/zinc/57/15/96/629571596.db2.gz	XZHVRYBADCGJKY-UPHRSURJSA-N	-1	0	279.217	3.101	20	30		CGEDRM
O=c1[n-]c(N=NC2CCC[C@H]2CCF)nc2ccccc12	ZINC000794919299	629599067	/nfs/dbraw/zinc/59/90/67/629599067.db2.gz	VVGZXYXJVHAYLH-JTQLQIEISA-N	-1	0	288.326	3.263	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000864183254	629793153	/nfs/dbraw/zinc/79/31/53/629793153.db2.gz	IURCZFQLQJQJJH-CYBMUJFWSA-N	-1	0	295.766	3.136	20	30		CGEDRM
C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000797748677	629980285	/nfs/dbraw/zinc/98/02/85/629980285.db2.gz	NZTBVUMRMRJSFX-GOPGUHFVSA-N	-1	0	292.338	3.252	20	30		CGEDRM
C#C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C	ZINC000798343337	630046722	/nfs/dbraw/zinc/04/67/22/630046722.db2.gz	DEIMIGSSTNLMBQ-LYGDGENHSA-N	-1	0	280.711	3.031	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)CC(C)C	ZINC000799112305	630143989	/nfs/dbraw/zinc/14/39/89/630143989.db2.gz	RQMXBCFCQHRHAH-LLVKDONJSA-N	-1	0	278.352	3.473	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cnoc1C	ZINC000799464739	630184977	/nfs/dbraw/zinc/18/49/77/630184977.db2.gz	KLJKDEWBGSAIJP-UHFFFAOYSA-N	-1	0	293.710	3.171	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1n[nH]c2ccccc21	ZINC000799638284	630206651	/nfs/dbraw/zinc/20/66/51/630206651.db2.gz	JRYTUHRHQVJAFY-UHFFFAOYSA-N	-1	0	295.408	3.275	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1cccc(C(=O)[O-])c1	ZINC000806558807	630566892	/nfs/dbraw/zinc/56/68/92/630566892.db2.gz	MKSXIIRWYGIWCP-WAYWQWQTSA-N	-1	0	288.324	3.351	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(C(F)(F)F)[nH]1	ZINC000807958462	630608224	/nfs/dbraw/zinc/60/82/24/630608224.db2.gz	YVUJCFKPDKAARE-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
N#CCCN(Cc1ccco1)Cc1ccc(F)c(F)c1[O-]	ZINC000876529674	634851872	/nfs/dbraw/zinc/85/18/72/634851872.db2.gz	KAOJGASQSZAEBX-UHFFFAOYSA-N	-1	0	292.285	3.179	20	30		CGEDRM
O=C([O-])[C@@H]1CCC(=NOCCC2CC2)c2ccccc21	ZINC000814246889	631561241	/nfs/dbraw/zinc/56/12/41/631561241.db2.gz	HCIMUMIINLCTNE-CQSZACIVSA-N	-1	0	273.332	3.169	20	30		CGEDRM
Cc1cc2c(cc1C)C(=NNc1ccc(C(=O)[O-])cc1)CO2	ZINC000814680895	631620764	/nfs/dbraw/zinc/62/07/64/631620764.db2.gz	NDYFKNAFRFCROA-UHFFFAOYSA-N	-1	0	296.326	3.210	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814686238	631622936	/nfs/dbraw/zinc/62/29/36/631622936.db2.gz	ZAIGLGKAIRFSFX-NEPJUHHUSA-N	-1	0	260.337	3.284	20	30		CGEDRM
Cc1cccc(N=NC(C)CC2(C(=O)[O-])CCC2)c1	ZINC000814687734	631623785	/nfs/dbraw/zinc/62/37/85/631623785.db2.gz	SZWAQXUTRKTHRH-UHFFFAOYSA-N	-1	0	260.337	3.428	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@@H]1C	ZINC000814689887	631624447	/nfs/dbraw/zinc/62/44/47/631624447.db2.gz	KAOFGRSMGITTEE-JGVFFNPUSA-N	-1	0	266.728	3.482	20	30		CGEDRM
C[C@H]1C(N=Nc2ccccn2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814731886	631631621	/nfs/dbraw/zinc/63/16/21/631631621.db2.gz	NEDXJIYGPXSIHU-WDEREUQCSA-N	-1	0	275.352	3.006	20	30		CGEDRM
CC(N=Nc1cncc(Cl)n1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814798025	631641805	/nfs/dbraw/zinc/64/18/05/631641805.db2.gz	WDXBOWHTEYMFMM-VIFPVBQESA-N	-1	0	298.774	3.199	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1cc(F)ccc1F	ZINC000814809223	631645682	/nfs/dbraw/zinc/64/56/82/631645682.db2.gz	RYGVHXHWFQDAKV-UHFFFAOYSA-N	-1	0	296.317	3.075	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cnc2ccccc2n1	ZINC000814829594	631649988	/nfs/dbraw/zinc/64/99/88/631649988.db2.gz	BESYCRMXWZVRBL-UHFFFAOYSA-N	-1	0	298.346	3.063	20	30		CGEDRM
CCC(CC)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814851773	631655718	/nfs/dbraw/zinc/65/57/18/631655718.db2.gz	UJNAUNSGTSSUDE-CMPLNLGQSA-N	-1	0	268.401	3.278	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(Cl)o1	ZINC000814887238	631665788	/nfs/dbraw/zinc/66/57/88/631665788.db2.gz	JZYURVSPUKDXGA-UHFFFAOYSA-N	-1	0	294.694	3.086	20	30		CGEDRM
N#Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000814902347	631672753	/nfs/dbraw/zinc/67/27/53/631672753.db2.gz	AEIRHPFUCWRXFT-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NOCc1ccc(F)cc1	ZINC000814903434	631673112	/nfs/dbraw/zinc/67/31/12/631673112.db2.gz	JDRXWBUVPDBRHW-UHFFFAOYSA-N	-1	0	279.311	3.363	20	30		CGEDRM
CC[C@H](C)NN=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814913187	631679277	/nfs/dbraw/zinc/67/92/77/631679277.db2.gz	JAWNTGLZQKOYHV-LBPRGKRZSA-N	-1	0	292.379	3.042	20	30		CGEDRM
CC[C@@H](NN=C1CCCC[C@H]1C1=CCCCC1)C(=O)[O-]	ZINC000814936850	631690295	/nfs/dbraw/zinc/69/02/95/631690295.db2.gz	LYCXZWVZZCRRIG-UONOGXRCSA-N	-1	0	278.396	3.486	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCC1(C)CCCC1	ZINC000814937381	631691628	/nfs/dbraw/zinc/69/16/28/631691628.db2.gz	DSYLTOJEXMWREB-VXGBXAGGSA-N	-1	0	266.385	3.033	20	30		CGEDRM
Cc1nc(C(C)C)ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000815877635	631829466	/nfs/dbraw/zinc/82/94/66/631829466.db2.gz	AAZSDERESOSSEG-UHFFFAOYSA-N	-1	0	295.342	3.343	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CC3(CCC3)C2)c1	ZINC000844270554	635852196	/nfs/dbraw/zinc/85/21/96/635852196.db2.gz	ISHYSHSHFYIHFK-DHDCSXOGSA-N	-1	0	260.293	3.052	20	30		CGEDRM
CC[C@@]1(C)CCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000844600318	635940437	/nfs/dbraw/zinc/94/04/37/635940437.db2.gz	KFLYWVVSNTUIKG-AWEZNQCLSA-N	-1	0	261.325	3.148	20	30		CGEDRM
O=C(/C=C\c1cccs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000207211328	633299527	/nfs/dbraw/zinc/29/95/27/633299527.db2.gz	ZPXKKGSBMJCGFF-XQRVVYSFSA-N	-1	0	275.285	3.258	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(-c2nn[nH]n2)cc1	ZINC000824939979	633307587	/nfs/dbraw/zinc/30/75/87/633307587.db2.gz	YQULSLVZVOBYJT-DGCLKSJQSA-N	-1	0	284.367	3.091	20	30		CGEDRM
CCCc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1CC	ZINC000871954547	633924990	/nfs/dbraw/zinc/92/49/90/633924990.db2.gz	LJKJGFHBHZZHAR-JTQLQIEISA-N	-1	0	290.754	3.136	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCC(F)(F)C1	ZINC000872360279	634117887	/nfs/dbraw/zinc/11/78/87/634117887.db2.gz	HCWQBDGXKZWSMP-VIFPVBQESA-N	-1	0	298.289	3.227	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000872751327	634201933	/nfs/dbraw/zinc/20/19/33/634201933.db2.gz	BKYMJXHGXQVEAX-UHFFFAOYSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C[C@H]1CC[C@H](C)C(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000834966545	634297057	/nfs/dbraw/zinc/29/70/57/634297057.db2.gz	JXOJVTJZBYUYLC-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCF)c(F)c1	ZINC000835008810	634313480	/nfs/dbraw/zinc/31/34/80/634313480.db2.gz	ORMAXUJJDJJRMC-VIFPVBQESA-N	-1	0	282.290	3.452	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009716	634314372	/nfs/dbraw/zinc/31/43/72/634314372.db2.gz	YYXIJHDTOBHZIB-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
COCC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009427	634314376	/nfs/dbraw/zinc/31/43/76/634314376.db2.gz	SNCUCNOVHNWYAU-JTQLQIEISA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC[C@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009580	634314546	/nfs/dbraw/zinc/31/45/46/634314546.db2.gz	VVHGRWZODJYZOW-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(F)F	ZINC000843266961	635628715	/nfs/dbraw/zinc/62/87/15/635628715.db2.gz	QXGCHXMPGNNPOV-CUXJQWCSSA-N	-1	0	272.251	3.011	20	30		CGEDRM
CC1=C(C)C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000843841673	635787672	/nfs/dbraw/zinc/78/76/72/635787672.db2.gz	ASYHUFUXCMZAKH-CYBMUJFWSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000844005467	635806205	/nfs/dbraw/zinc/80/62/05/635806205.db2.gz	OGLXFNLXRDOYNY-JTQLQIEISA-N	-1	0	295.741	3.060	20	30		CGEDRM
Cc1c(N=NC(C)C(F)(F)F)cccc1C(=O)[O-]	ZINC000844622254	635944690	/nfs/dbraw/zinc/94/46/90/635944690.db2.gz	BEUDTFUHFSQRML-UHFFFAOYSA-N	-1	0	260.215	3.043	20	30		CGEDRM
CCCCCCCCCS(=O)(=O)[N-]c1nocc1C	ZINC000844826888	635971866	/nfs/dbraw/zinc/97/18/66/635971866.db2.gz	XKFAXXAODIZNFK-UHFFFAOYSA-N	-1	0	288.413	3.475	20	30		CGEDRM
CCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845841152	636106110	/nfs/dbraw/zinc/10/61/10/636106110.db2.gz	RKAPABBTROGAQS-NSHDSACASA-N	-1	0	275.373	3.319	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1cccc(C(C)C)c1	ZINC000846551004	636199783	/nfs/dbraw/zinc/19/97/83/636199783.db2.gz	RZGRYIJDKUEZQJ-QWHCGFSZSA-N	-1	0	277.364	3.200	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cccs1	ZINC000129508958	636289300	/nfs/dbraw/zinc/28/93/00/636289300.db2.gz	GXBKGXSEBMVNNR-GQCTYLIASA-N	-1	0	275.285	3.258	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000213228400	636439870	/nfs/dbraw/zinc/43/98/70/636439870.db2.gz	ZYXHWPCJCPGOPB-WAYWQWQTSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CCCCCCCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000107390585	636530295	/nfs/dbraw/zinc/53/02/95/636530295.db2.gz	SMEKLJIZCHJDIT-KRWDZBQOSA-N	-1	0	291.391	3.463	20	30		CGEDRM
C[C@@H](CN=Nc1ccc(CC(=O)[O-])cc1)C(C)(C)C	ZINC000848414997	636571328	/nfs/dbraw/zinc/57/13/28/636571328.db2.gz	UZOBDNDQWLIZOX-NSHDSACASA-N	-1	0	262.353	3.394	20	30		CGEDRM
C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054266	636780248	/nfs/dbraw/zinc/78/02/48/636780248.db2.gz	MJXQFAQWGURJKV-VXGBXAGGSA-N	-1	0	287.425	3.432	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCF	ZINC000850738335	637135961	/nfs/dbraw/zinc/13/59/61/637135961.db2.gz	ATUNJJOPAOKUMF-GFCCVEGCSA-N	-1	0	286.306	3.118	20	30		CGEDRM
CCOC1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000853354313	637821946	/nfs/dbraw/zinc/82/19/46/637821946.db2.gz	DLARPQLXCXJMTD-UHFFFAOYSA-N	-1	0	294.326	3.271	20	30		CGEDRM
C=CCCO[N-]C(=O)C(F)(F)c1cccc(Cl)c1	ZINC000856031620	638287094	/nfs/dbraw/zinc/28/70/94/638287094.db2.gz	XKMJKGNXKCHDDX-UHFFFAOYSA-N	-1	0	275.682	3.056	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](OC1CCCC1)c1ccccc1	ZINC000856031211	638287551	/nfs/dbraw/zinc/28/75/51/638287551.db2.gz	IAPQVRKNXIXJOK-INIZCTEOSA-N	-1	0	289.375	3.311	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1	ZINC000034689100	638867024	/nfs/dbraw/zinc/86/70/24/638867024.db2.gz	XLZLZCWHIZWSQF-KMKOMSMNSA-N	-1	0	270.259	3.420	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cccc(F)c1[O-]	ZINC000933341801	639439508	/nfs/dbraw/zinc/43/95/08/639439508.db2.gz	TZLRKGKNPAGSKO-UHFFFAOYSA-N	-1	0	265.328	3.350	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](CC)c1ccc(Br)cc1	ZINC000861923733	639628841	/nfs/dbraw/zinc/62/88/41/639628841.db2.gz	DGPVXFGXOUMQRE-GFCCVEGCSA-N	-1	0	298.180	3.177	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccsc2)cc1C	ZINC000042274015	639915022	/nfs/dbraw/zinc/91/50/22/639915022.db2.gz	FUGAKZGIDJTRAK-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1CC=CC1	ZINC000158648318	640012877	/nfs/dbraw/zinc/01/28/77/640012877.db2.gz	RWGWVKCCCXGIEV-CQSZACIVSA-N	-1	0	292.338	3.334	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c(F)c1	ZINC000075039843	640115174	/nfs/dbraw/zinc/11/51/74/640115174.db2.gz	BFARZHIHBJHVDD-UHFFFAOYSA-N	-1	0	299.367	3.360	20	30		CGEDRM
Fc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000254762349	640914155	/nfs/dbraw/zinc/91/41/55/640914155.db2.gz	PJIYFIPMAUDXCH-UHFFFAOYSA-N	-1	0	288.307	3.222	20	30		CGEDRM
C=CC[C@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001588759583	963312892	/nfs/dbraw/zinc/31/28/92/963312892.db2.gz	XIEHVCZLRHNKQR-JTQLQIEISA-N	-1	0	267.737	3.333	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1	ZINC001250587277	805710198	/nfs/dbraw/zinc/71/01/98/805710198.db2.gz	IJTWJLBKEHHSIY-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
CCOc1cccc2[nH]c(-c3cc(C#N)ccc3[O-])nc21	ZINC001251180182	805858929	/nfs/dbraw/zinc/85/89/29/805858929.db2.gz	HOXCNZYMAFISOH-UHFFFAOYSA-N	-1	0	279.299	3.206	20	30		CGEDRM
COc1cccc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001211658795	814928186	/nfs/dbraw/zinc/92/81/86/814928186.db2.gz	ZQUDLRFHMQORDO-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C=CCC[C@@H](O)CNc1ccc2[n-]c(=S)sc2c1	ZINC001252607701	806084832	/nfs/dbraw/zinc/08/48/32/806084832.db2.gz	QCSGYJKOROKPJB-SNVBAGLBSA-N	-1	0	280.418	3.324	20	30		CGEDRM
Cc1cccc(-c2nnc(-c3cccc(C#N)c3[O-])o2)c1	ZINC001253718634	806284112	/nfs/dbraw/zinc/28/41/12/806284112.db2.gz	VDGJPRPRYXFRIA-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
N#Cc1cccc(-c2nnc(Cc3ccccc3F)o2)c1[O-]	ZINC001255867495	806775115	/nfs/dbraw/zinc/77/51/15/806775115.db2.gz	PLGRBGWZGIIJCY-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)o1	ZINC000809156448	800413761	/nfs/dbraw/zinc/41/37/61/800413761.db2.gz	BPEGXVDCWBCXTI-QPJJXVBHSA-N	-1	0	286.283	3.142	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(CCC(=O)[O-])cc1	ZINC001244192878	803237002	/nfs/dbraw/zinc/23/70/02/803237002.db2.gz	FWBDEFDBYUMROW-UHFFFAOYSA-N	-1	0	299.301	3.390	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(Cl)cc1[O-]	ZINC001244472982	803388869	/nfs/dbraw/zinc/38/88/69/803388869.db2.gz	QGIVNEGHKQEBOW-UHFFFAOYSA-N	-1	0	269.691	3.412	20	30		CGEDRM
N#Cc1cc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)ncn1	ZINC001244513113	803412262	/nfs/dbraw/zinc/41/22/62/803412262.db2.gz	BQPDGWGMSZOJDM-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
Cc1cc(-c2nccc(F)c2C#N)cc(Cl)c1[O-]	ZINC001244532640	803422827	/nfs/dbraw/zinc/42/28/27/803422827.db2.gz	YUGRQHRFNMWZQU-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(-c2cc(C(=O)[O-])c(Cl)cc2F)ncc1C#N	ZINC001244610067	803463567	/nfs/dbraw/zinc/46/35/67/803463567.db2.gz	GVSBKTLVSCYYDF-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244613730	803464807	/nfs/dbraw/zinc/46/48/07/803464807.db2.gz	RJPNMTKZGLYSBD-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
C=C(C)c1ccc(-c2cnc(F)c(C(=O)[O-])c2)nc1	ZINC001244751188	803519583	/nfs/dbraw/zinc/51/95/83/803519583.db2.gz	FFUVABHPSBZIOC-UHFFFAOYSA-N	-1	0	258.252	3.014	20	30		CGEDRM
N#CCCc1cccc(-c2cc(C(=O)[O-])cnc2F)c1	ZINC001244759255	803521868	/nfs/dbraw/zinc/52/18/68/803521868.db2.gz	BBAXEWGLVSFOMK-UHFFFAOYSA-N	-1	0	270.263	3.042	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1	ZINC001137331671	803716894	/nfs/dbraw/zinc/71/68/94/803716894.db2.gz	OKWAGZPJRCBUFF-UHFFFAOYSA-N	-1	0	294.335	3.350	20	30		CGEDRM
N#CCc1ccnc(-c2ccc(C(=O)[O-])cc2Cl)c1	ZINC001245372807	803718186	/nfs/dbraw/zinc/71/81/86/803718186.db2.gz	OQBFMONFRYXXSB-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1ccncc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211961058	814962138	/nfs/dbraw/zinc/96/21/38/814962138.db2.gz	TYTLTUIRXLTJFQ-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211966803	814962599	/nfs/dbraw/zinc/96/25/99/814962599.db2.gz	MLVQBYPZXWKHFZ-UHFFFAOYSA-N	-1	0	287.706	3.236	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc([O-])c(F)c(F)c2F)n1	ZINC001245635581	803870388	/nfs/dbraw/zinc/87/03/88/803870388.db2.gz	MNHIXANAFQQTEN-UHFFFAOYSA-N	-1	0	278.233	3.246	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cc(Cl)c([O-])cc1F	ZINC001245673139	803902404	/nfs/dbraw/zinc/90/24/04/803902404.db2.gz	DMJLEORMPGRHQP-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
CC(C)(C)Cc1cc(=O)n(Cc2cccc(C#N)c2)[n-]1	ZINC001245931924	804060183	/nfs/dbraw/zinc/06/01/83/804060183.db2.gz	JUWAXFKQICZOEO-UHFFFAOYSA-N	-1	0	269.348	3.097	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(CC3CCCC3)cc2=O)c1	ZINC001245932535	804063262	/nfs/dbraw/zinc/06/32/62/804063262.db2.gz	QRRKWZQVWPSCMK-UHFFFAOYSA-N	-1	0	281.359	3.241	20	30		CGEDRM
C[C@@H]1CCC[C@H]1n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245936721	804066605	/nfs/dbraw/zinc/06/66/05/804066605.db2.gz	FBVBFUVXFGZIMY-IAQYHMDHSA-N	-1	0	267.332	3.488	20	30		CGEDRM
C[C@H]1CCC[C@@H]1n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245936722	804067062	/nfs/dbraw/zinc/06/70/62/804067062.db2.gz	FBVBFUVXFGZIMY-NHYWBVRUSA-N	-1	0	267.332	3.488	20	30		CGEDRM
C#CCN(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCc2ccccc21	ZINC001140946438	804555515	/nfs/dbraw/zinc/55/55/15/804555515.db2.gz	JMSXIBMTBRDHAD-MRXNPFEDSA-N	-1	0	295.338	3.101	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1C#N	ZINC001142541945	804734993	/nfs/dbraw/zinc/73/49/93/804734993.db2.gz	JFQRJUHPZYTRJH-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(F)c1	ZINC001212513411	815045149	/nfs/dbraw/zinc/04/51/49/815045149.db2.gz	PGSXXZDFXCYUAK-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CN(Cc1cccc(C#N)c1)Cc1cc(F)c(O)cc1F	ZINC001144660302	805027397	/nfs/dbraw/zinc/02/73/97/805027397.db2.gz	ZKTFXKPUYJGZNZ-UHFFFAOYSA-N	-1	0	288.297	3.174	20	30		CGEDRM
CCCCCCCNC(=S)Nc1ncc(F)cc1[O-]	ZINC001249630835	805193890	/nfs/dbraw/zinc/19/38/90/805193890.db2.gz	JVIOMTAJYGXSMW-UHFFFAOYSA-N	-1	0	285.388	3.183	20	30		CGEDRM
C#CC1CCN(C(=S)[N-]c2ccccc2SC)CC1	ZINC001249699780	805218859	/nfs/dbraw/zinc/21/88/59/805218859.db2.gz	YVNUHQCQUYYUIP-UHFFFAOYSA-N	-1	0	290.457	3.451	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cnc3ccccc3c2)c(O)c1	ZINC001149133196	805220770	/nfs/dbraw/zinc/22/07/70/805220770.db2.gz	NVCVWIBHJWJKSF-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
Cc1ccc(C#N)c([N-]c2nnc(-c3ccco3)o2)c1	ZINC001249895209	805285413	/nfs/dbraw/zinc/28/54/13/805285413.db2.gz	LINXOUXZUZPYHO-UHFFFAOYSA-N	-1	0	266.260	3.253	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249960943	805328648	/nfs/dbraw/zinc/32/86/48/805328648.db2.gz	XSZNQUGNVOXARG-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
Cc1cc(Cc2ccccc2C#N)ccc1C(=O)[O-]	ZINC001250046517	805387087	/nfs/dbraw/zinc/38/70/87/805387087.db2.gz	XNABMEGUUPJHLE-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#Cc1cccc(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001250049237	805388477	/nfs/dbraw/zinc/38/84/77/805388477.db2.gz	UTVRNJPTEAVMQK-UHFFFAOYSA-N	-1	0	277.323	3.265	20	30		CGEDRM
N#Cc1cn(-c2ccc(Cl)c([O-])c2)c2ccc(N)cc12	ZINC001212594160	815080751	/nfs/dbraw/zinc/08/07/51/815080751.db2.gz	RORBCHHNEZIHQT-UHFFFAOYSA-N	-1	0	283.718	3.443	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1ccc(Cl)c([O-])c1	ZINC001212594492	815081187	/nfs/dbraw/zinc/08/11/87/815081187.db2.gz	ZZCCZEILKJGHLB-UHFFFAOYSA-N	-1	0	260.680	3.366	20	30		CGEDRM
CCCCCCC[C@H](CC)N[C@H]1SC(=O)[N-]C1=O	ZINC001172347039	808245237	/nfs/dbraw/zinc/24/52/37/808245237.db2.gz	PNCPCHXBHXIXLV-JQWIXIFHSA-N	-1	0	272.414	3.024	20	30		CGEDRM
CCOc1ccccc1Nc1scc([O-])c1C#N	ZINC001173849774	808711458	/nfs/dbraw/zinc/71/14/58/808711458.db2.gz	XPGWBPYUECLXLJ-UHFFFAOYSA-N	-1	0	260.318	3.468	20	30		CGEDRM
COc1ccc(C)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001173985641	808806326	/nfs/dbraw/zinc/80/63/26/808806326.db2.gz	APRBFPFPOUBZMP-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cnn(Cc2ccccc2)c1	ZINC001174132354	808883220	/nfs/dbraw/zinc/88/32/20/808883220.db2.gz	TUHMRQQTAXLXDY-UHFFFAOYSA-N	-1	0	296.355	3.314	20	30		CGEDRM
Cc1coc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001174496042	809043621	/nfs/dbraw/zinc/04/36/21/809043621.db2.gz	AVVJOBJXNVWXQL-AATRIKPKSA-N	-1	0	268.272	3.301	20	30		CGEDRM
C=C(C)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1	ZINC001174794003	809164571	/nfs/dbraw/zinc/16/45/71/809164571.db2.gz	VWCRGZBDWZUMRG-UHFFFAOYSA-N	-1	0	295.338	3.490	20	30		CGEDRM
CCc1cc(C#N)ccc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174952577	809213073	/nfs/dbraw/zinc/21/30/73/809213073.db2.gz	XCWDDAXDDJMWND-UHFFFAOYSA-N	-1	0	280.327	3.491	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)cc2)cc(C(=O)[O-])c1	ZINC001213590708	815307746	/nfs/dbraw/zinc/30/77/46/815307746.db2.gz	GTASAZMUJWVORN-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1F	ZINC001176713031	809747790	/nfs/dbraw/zinc/74/77/90/809747790.db2.gz	YEYPRPYAZBRRDY-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213634082	815315042	/nfs/dbraw/zinc/31/50/42/815315042.db2.gz	KGZUCVPDAWZRLC-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)cc1N	ZINC001213648964	815316866	/nfs/dbraw/zinc/31/68/66/815316866.db2.gz	BSSTWLRHFUYFGF-UHFFFAOYSA-N	-1	0	265.725	3.305	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)ccc2[O-])cc1[N+](=O)[O-]	ZINC001213667024	815321272	/nfs/dbraw/zinc/32/12/72/815321272.db2.gz	HZLWHJSOSZIERF-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
O=C(C#Cc1ccc(F)cc1F)Nc1ccccc1[S-]	ZINC001178569509	809877554	/nfs/dbraw/zinc/87/75/54/809877554.db2.gz	ZXCHZDGHNGXVAK-UHFFFAOYSA-N	-1	0	289.306	3.244	20	30		CGEDRM
Cc1c(Cl)cc(NC(=O)[C@@H](C)C#N)c([O-])c1Cl	ZINC001179894890	809955236	/nfs/dbraw/zinc/95/52/36/809955236.db2.gz	NTGOJMQXKNYNBS-YFKPBYRVSA-N	-1	0	273.119	3.106	20	30		CGEDRM
C=CCN(C(=O)C1(C(=O)[O-])CCCCC1)C1CCCCC1	ZINC001180437918	810000705	/nfs/dbraw/zinc/00/07/05/810000705.db2.gz	GRANNOXFZHEMHX-UHFFFAOYSA-N	-1	0	293.407	3.369	20	30		CGEDRM
C[C@H]1C[C@@H](NC(=O)CCC(=O)C2=CC=C[CH]2)c2ccccc21	ZINC001184245967	810184967	/nfs/dbraw/zinc/18/49/67/810184967.db2.gz	FZSOJZLQUAJHHG-SUMWQHHRSA-N	-1	0	294.374	3.401	20	30		CGEDRM
C#Cc1ccccc1C(=O)Nc1ccccc1[S-]	ZINC001191119678	810679427	/nfs/dbraw/zinc/67/94/27/810679427.db2.gz	IYKFKAIQNDXWBT-UHFFFAOYSA-N	-1	0	253.326	3.209	20	30		CGEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2cccc(Cl)c21	ZINC001193160441	810861545	/nfs/dbraw/zinc/86/15/45/810861545.db2.gz	CNWWDEKXCWVFDK-SECBINFHSA-N	-1	0	294.763	3.147	20	30		CGEDRM
CC(C)c1cccnc1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193642966	810927852	/nfs/dbraw/zinc/92/78/52/810927852.db2.gz	UMFHAAQHGUSCQI-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
CCCCCCOC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001194184978	811030923	/nfs/dbraw/zinc/03/09/23/811030923.db2.gz	CDOJAGNYDSCOSS-UHFFFAOYSA-N	-1	0	262.309	3.393	20	30		CGEDRM
Cc1ccccc1C(C)(C)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195768962	811290178	/nfs/dbraw/zinc/29/01/78/811290178.db2.gz	SNXXTNGLEWTLDR-UHFFFAOYSA-N	-1	0	294.354	3.237	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2cc(C(=O)[O-])cnc2F)cc1	ZINC001215130516	815486753	/nfs/dbraw/zinc/48/67/53/815486753.db2.gz	YFFYWLWCNLJTPY-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
N#Cc1c(Cl)cccc1Nc1cc(C(=O)[O-])cnc1F	ZINC001215131890	815487845	/nfs/dbraw/zinc/48/78/45/815487845.db2.gz	XHHDMHWKUIHTBE-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccccc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215274421	815501997	/nfs/dbraw/zinc/50/19/97/815501997.db2.gz	XFCBZTSMHZYZPU-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1oc(Nc2ccsc2C(=O)[O-])c(C#N)c1C	ZINC001215387869	815514403	/nfs/dbraw/zinc/51/44/03/815514403.db2.gz	ZODGFIPUOQGIFJ-UHFFFAOYSA-N	-1	0	262.290	3.271	20	30		CGEDRM
COc1ccc(C)cc1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001202868400	812189922	/nfs/dbraw/zinc/18/99/22/812189922.db2.gz	BBSUGBQGFLGLCB-UHFFFAOYSA-N	-1	0	297.314	3.225	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccsc1C(=O)[O-]	ZINC001215394031	815515809	/nfs/dbraw/zinc/51/58/09/815515809.db2.gz	GZIWNNXOXBPJKZ-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1coc(Nc2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001203288442	812294837	/nfs/dbraw/zinc/29/48/37/812294837.db2.gz	SNJNOMDVSHEXPT-UHFFFAOYSA-N	-1	0	260.224	3.041	20	30		CGEDRM
N#CCc1cccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001203329691	812313890	/nfs/dbraw/zinc/31/38/90/812313890.db2.gz	IIBUTQCXKXAKLP-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215613896	815547970	/nfs/dbraw/zinc/54/79/70/815547970.db2.gz	UQWVRYNDAFUPRP-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cc(-c2ccsc2C(=O)[O-])ncc1C(F)(F)F	ZINC001205542459	812998583	/nfs/dbraw/zinc/99/85/83/812998583.db2.gz	FXMKVNYZOHXOAD-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
CC#Cc1cncc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206045149	813180013	/nfs/dbraw/zinc/18/00/13/813180013.db2.gz	IDZHUYJXTUPZGD-UHFFFAOYSA-N	-1	0	273.238	3.096	20	30		CGEDRM
N#CCc1ccc(-c2csc(C(=O)[O-])c2)cc1F	ZINC001206278251	813268462	/nfs/dbraw/zinc/26/84/62/813268462.db2.gz	DVNSICBCBSJEJJ-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210007873	814241210	/nfs/dbraw/zinc/24/12/10/814241210.db2.gz	VCPVZNRGDFDNEX-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
Cc1cccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C#N	ZINC001210395227	814442247	/nfs/dbraw/zinc/44/22/47/814442247.db2.gz	RZJCNHQBJGJECP-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210399666	814445909	/nfs/dbraw/zinc/44/59/09/814445909.db2.gz	YBOQBRXZDDWZFT-UHFFFAOYSA-N	-1	0	294.270	3.096	20	30		CGEDRM
C[C@H](O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001210649983	814572280	/nfs/dbraw/zinc/57/22/80/814572280.db2.gz	FHEMXFBKMRJKEW-VIFPVBQESA-N	-1	0	272.279	3.200	20	30		CGEDRM
COc1cc(NC2=CC(=O)C[C@@H](C)C2)ccc1[S-]	ZINC001210778867	814624571	/nfs/dbraw/zinc/62/45/71/814624571.db2.gz	ZSYPNPCTUMTCDY-VIFPVBQESA-N	-1	0	263.362	3.279	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccccc1C(=O)[O-]	ZINC001210968428	814695480	/nfs/dbraw/zinc/69/54/80/814695480.db2.gz	GEMVIWAGZJTMKB-UHFFFAOYSA-N	-1	0	267.288	3.042	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc([O-])c1Cl)CCOC2	ZINC001242801212	823137346	/nfs/dbraw/zinc/13/73/46/823137346.db2.gz	OKNNGUOCGRADCF-UHFFFAOYSA-N	-1	0	286.718	3.052	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(F)c([O-])c1	ZINC001211217187	814853182	/nfs/dbraw/zinc/85/31/82/814853182.db2.gz	YEJNEIZKMPDMNX-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
CC(C)Oc1cc(Nc2cc(C#N)c(F)cc2[O-])ccn1	ZINC001215768277	815583143	/nfs/dbraw/zinc/58/31/43/815583143.db2.gz	HZBDBKKONIAKRW-UHFFFAOYSA-N	-1	0	287.294	3.329	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cc(F)c([O-])cc3F)cnc12	ZINC001211351791	814884382	/nfs/dbraw/zinc/88/43/82/814884382.db2.gz	CMOLBUOZUMGPLP-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)cnc2C)cc1C(=O)[O-]	ZINC001211597076	814915073	/nfs/dbraw/zinc/91/50/73/814915073.db2.gz	RSUPKHKJCKAAPY-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc(Nc2c(O)cccc2C#N)cc1C(=O)[O-]	ZINC001211606101	814916936	/nfs/dbraw/zinc/91/69/36/814916936.db2.gz	HDRJKSJRJVZHPY-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2C#N)cc([O-])c1F	ZINC001216083005	815686712	/nfs/dbraw/zinc/68/67/12/815686712.db2.gz	KHFVQPHHHUCOIH-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
C=C/C(=N\COC)c1cc(Cl)c([O-])c(Cl)c1	ZINC001242851697	823152714	/nfs/dbraw/zinc/15/27/14/823152714.db2.gz	KMMHQGSYPJFZAW-GXDHUFHOSA-N	-1	0	260.120	3.278	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1C	ZINC001216661260	815887656	/nfs/dbraw/zinc/88/76/56/815887656.db2.gz	DKRUUEAPYDJWRJ-UHFFFAOYSA-N	-1	0	281.315	3.350	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccccc1C(=O)[O-]	ZINC001242877831	823161975	/nfs/dbraw/zinc/16/19/75/823161975.db2.gz	FMHVLDPGBSHNTL-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)c(F)c1	ZINC001242922686	823173166	/nfs/dbraw/zinc/17/31/66/823173166.db2.gz	LTEVPOGKAIEFSO-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1ncccn1	ZINC001223596713	816655267	/nfs/dbraw/zinc/65/52/67/816655267.db2.gz	MVDWQXHJDYQLKD-FCZKIDGVSA-N	-1	0	277.711	3.044	20	30		CGEDRM
N#Cc1nc(-c2ccc(F)c([O-])c2)ccc1C(F)(F)F	ZINC001243049323	823226395	/nfs/dbraw/zinc/22/63/95/823226395.db2.gz	QAADYGYLMQJFDK-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
CCCCCCC[C@@H](CC)OCCCS(=O)(=O)[O-]	ZINC001224897644	816905052	/nfs/dbraw/zinc/90/50/52/816905052.db2.gz	HWPXNHLSXWCJHR-CYBMUJFWSA-N	-1	0	280.430	3.420	20	30		CGEDRM
C=C(C)C[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)C(=C)C	ZINC001225516745	817081297	/nfs/dbraw/zinc/08/12/97/817081297.db2.gz	FNZAZHNMUFYYJU-AWEZNQCLSA-N	-1	0	282.361	3.223	20	30		CGEDRM
Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)CC2	ZINC001226221978	817301655	/nfs/dbraw/zinc/30/16/55/817301655.db2.gz	QSAWRGYKOGBXHS-HNNXBMFYSA-N	-1	0	280.327	3.342	20	30		CGEDRM
O/N=C/c1ccnc(O[C@@H]2Cc3cccc4cccc2c34)n1	ZINC001226253138	817312848	/nfs/dbraw/zinc/31/28/48/817312848.db2.gz	FGVAWXWRLKGOAH-GDXCHIGESA-N	-1	0	291.310	3.114	20	30		CGEDRM
C=CC[C@H](Oc1c(O)ccc(C(C)=O)c1O)C(C)C	ZINC001226482743	817371510	/nfs/dbraw/zinc/37/15/10/817371510.db2.gz	PXZWCHGYZQQUAA-ZDUSSCGKSA-N	-1	0	264.321	3.280	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1nc[n-]c(=O)c1Br	ZINC001226721135	817445533	/nfs/dbraw/zinc/44/55/33/817445533.db2.gz	GAJWFWHPTXHNRR-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
C=CC[C@@H](Oc1nc(=O)[n-]c(C)c1Cl)C(C)C	ZINC001227112482	817561364	/nfs/dbraw/zinc/56/13/64/817561364.db2.gz	KLVPJQNSQXMONY-SECBINFHSA-N	-1	0	256.733	3.124	20	30		CGEDRM
C=C[C@H](CCCC)Oc1[nH]c(=O)ncc1Br	ZINC001227136695	817568263	/nfs/dbraw/zinc/56/82/63/817568263.db2.gz	BXXLELUQNAXHDX-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1ccc(O)c(C#N)c1C#N	ZINC001227624415	817686363	/nfs/dbraw/zinc/68/63/63/817686363.db2.gz	ZPAPTGPYSQPBDK-VIFPVBQESA-N	-1	0	276.361	3.001	20	30		CGEDRM
CCCCCCC[C@@H](C)Oc1nc(=O)[n-]c2c1COC2	ZINC001227690750	817694425	/nfs/dbraw/zinc/69/44/25/817694425.db2.gz	OHDFKLVWGNNSBP-LLVKDONJSA-N	-1	0	280.368	3.340	20	30		CGEDRM
CC#CC[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227745246	817710947	/nfs/dbraw/zinc/71/09/47/817710947.db2.gz	LGIPRSWQSILVBW-NSHDSACASA-N	-1	0	273.292	3.042	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227787203	817720205	/nfs/dbraw/zinc/72/02/05/817720205.db2.gz	ZKINJCHMVZEJOF-GFCCVEGCSA-N	-1	0	293.363	3.065	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)c(C)n1	ZINC001243203196	823289013	/nfs/dbraw/zinc/28/90/13/823289013.db2.gz	RLGGADRZHVWLLV-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228440427	817906446	/nfs/dbraw/zinc/90/64/46/817906446.db2.gz	HUIQFKZOKOIYGJ-GFCCVEGCSA-N	-1	0	290.392	3.075	20	30		CGEDRM
COc1nccc(-c2cc(/C=N/[O-])ccc2F)c1Cl	ZINC001243322386	823347060	/nfs/dbraw/zinc/34/70/60/823347060.db2.gz	XMJBZBZFNAHVIZ-REZTVBANSA-N	-1	0	280.686	3.358	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243323427	823347643	/nfs/dbraw/zinc/34/76/43/823347643.db2.gz	FLJCPJQZTMDBIX-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2n[n-]c(=O)cc2Cl)O1	ZINC001233585257	818649666	/nfs/dbraw/zinc/64/96/66/818649666.db2.gz	CAFYZQMCQWJDMN-HZMBPMFUSA-N	-1	0	298.770	3.117	20	30		CGEDRM
Cc1cc(-c2ccc([O-])c(F)c2F)nc(C)c1C#N	ZINC001243339945	823354395	/nfs/dbraw/zinc/35/43/95/823354395.db2.gz	TXGQVBODYBUPKD-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
COc1cc(/C=N/O)ccc1O[C@@H](C#N)c1ccccc1	ZINC001233800984	818707697	/nfs/dbraw/zinc/70/76/97/818707697.db2.gz	UZHDJWXPPCOBPB-GYKGCMEESA-N	-1	0	282.299	3.147	20	30		CGEDRM
Oc1cc(F)cc(OC(C(F)(F)F)C(F)(F)F)c1	ZINC001233820979	818712342	/nfs/dbraw/zinc/71/23/42/818712342.db2.gz	WQQQFRWWTDYERY-UHFFFAOYSA-N	-1	0	278.123	3.403	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1C#N	ZINC001233919255	818730635	/nfs/dbraw/zinc/73/06/35/818730635.db2.gz	MUVHBZINJGLTEA-XCCSTKFXSA-N	-1	0	286.375	3.417	20	30		CGEDRM
N#C[C@@H](Oc1nc2c(cccc2O)[nH]1)c1ccccc1F	ZINC001234453778	818858980	/nfs/dbraw/zinc/85/89/80/818858980.db2.gz	ZDHFPPLWJAXQSE-CYBMUJFWSA-N	-1	0	283.262	3.051	20	30		CGEDRM
Cc1c(Cl)c(-c2ccc(CC#N)nc2)ccc1C(=O)[O-]	ZINC001236119241	819328234	/nfs/dbraw/zinc/32/82/34/819328234.db2.gz	DZQNHWPPUPIHEB-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
Cc1c(Cl)c(-c2cccnc2CC#N)ccc1C(=O)[O-]	ZINC001236128029	819333774	/nfs/dbraw/zinc/33/37/74/819333774.db2.gz	JNVMOGQHKXKVMB-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)nc1C#N	ZINC001236144553	819345590	/nfs/dbraw/zinc/34/55/90/819345590.db2.gz	SVAOMUSDNOXKLB-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#CCc1cncc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001236157358	819349762	/nfs/dbraw/zinc/34/97/62/819349762.db2.gz	BJNNXSDTBVVUFW-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C(=O)[O-])c(F)c3F)c1-2	ZINC001243512220	823426265	/nfs/dbraw/zinc/42/62/65/823426265.db2.gz	USCCZGRUOIJANQ-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)cc1	ZINC001243514288	823426892	/nfs/dbraw/zinc/42/68/92/823426892.db2.gz	MZBZKWUKILFZTE-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CCC1CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1	ZINC001237990393	819904916	/nfs/dbraw/zinc/90/49/16/819904916.db2.gz	RSTMKHMHGBYXIW-UHFFFAOYSA-N	-1	0	282.746	3.310	20	30		CGEDRM
N#CC[C@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238150867	819943422	/nfs/dbraw/zinc/94/34/22/819943422.db2.gz	BXMUOCPAPYKBRL-SNVBAGLBSA-N	-1	0	282.746	3.310	20	30		CGEDRM
CCCCN(CC#N)Cc1cc(Cl)c([O-])cc1F	ZINC001238150773	819943433	/nfs/dbraw/zinc/94/34/33/819943433.db2.gz	YMCNZJQIHYJUCY-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
CSc1ncc(C#N)c(-c2ccc(Cl)c([O-])c2)n1	ZINC001243577297	823452086	/nfs/dbraw/zinc/45/20/86/823452086.db2.gz	WSGOTRAHPNXRSR-UHFFFAOYSA-N	-1	0	277.736	3.096	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2ccc(C(=O)[O-])cc2F)cc1	ZINC001239275050	820250489	/nfs/dbraw/zinc/25/04/89/820250489.db2.gz	KUAYLVZPWYYIOO-RQZCQDPDSA-N	-1	0	273.263	3.389	20	30		CGEDRM
Cc1nnc(-c2ccc(C(F)(F)F)cc2[O-])c(C#N)c1C	ZINC001243609117	823466559	/nfs/dbraw/zinc/46/65/59/823466559.db2.gz	ODLVQNAZLYBVSD-UHFFFAOYSA-N	-1	0	293.248	3.357	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccc(C(=O)[O-])s1	ZINC001240843643	821363472	/nfs/dbraw/zinc/36/34/72/821363472.db2.gz	WBRRAXCAGHCURX-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CCCOc1ccc(-c2ccc(C(=O)[O-])s2)cc1	ZINC001240847709	821368485	/nfs/dbraw/zinc/36/84/85/821368485.db2.gz	MYNRWWMKISNCLC-UHFFFAOYSA-N	-1	0	273.313	3.406	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])s2)c(F)c1	ZINC001240847711	821368953	/nfs/dbraw/zinc/36/89/53/821368953.db2.gz	IAMZKUOMUQSINH-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccccc1C=NO	ZINC001241004644	821483436	/nfs/dbraw/zinc/48/34/36/821483436.db2.gz	DDXUGYDKCGZDBB-UHFFFAOYSA-N	-1	0	255.273	3.168	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241186292	821623714	/nfs/dbraw/zinc/62/37/14/821623714.db2.gz	GLSGWIKPNQFEIO-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(F)c(C(=O)[O-])c2)n1	ZINC001241242053	821663726	/nfs/dbraw/zinc/66/37/26/821663726.db2.gz	WXEAWYALESHQGS-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241247583	821669088	/nfs/dbraw/zinc/66/90/88/821669088.db2.gz	RIYYUBQRIJKMPV-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CCc1ncccc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241349915	821752724	/nfs/dbraw/zinc/75/27/24/821752724.db2.gz	JQEJLDYMBOMBTP-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2)nc(C(F)(F)F)c1	ZINC001241357323	821758974	/nfs/dbraw/zinc/75/89/74/821758974.db2.gz	OENHZINBJJRHEP-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1ccc2c(c1)nccc2-c1cccc(C(=O)[O-])c1	ZINC001241359478	821760740	/nfs/dbraw/zinc/76/07/40/821760740.db2.gz	SXJAGGOWXKURKU-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1ccc(-c2nc(C)c(C)c(C)c2C#N)cc1C(=O)[O-]	ZINC001241864675	822183455	/nfs/dbraw/zinc/18/34/55/822183455.db2.gz	ALRXIGGDECNCJC-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
C=C(C)CCc1ccccc1-c1cnn(CC(=O)[O-])c1	ZINC001242184417	822904607	/nfs/dbraw/zinc/90/46/07/822904607.db2.gz	JPURJZPVMVWDMF-UHFFFAOYSA-N	-1	0	270.332	3.143	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc2c(C#N)c[nH]c2n1	ZINC001242204361	822908868	/nfs/dbraw/zinc/90/88/68/822908868.db2.gz	BVVQNAUAADQFCU-UHFFFAOYSA-N	-1	0	295.273	3.247	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cc(C(=O)[O-])cc(F)c1C	ZINC001242209522	822911306	/nfs/dbraw/zinc/91/13/06/822911306.db2.gz	OZCIVVACHQGPJZ-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(F)cc3[O-])nc2)CCOCC1	ZINC001242218257	822914995	/nfs/dbraw/zinc/91/49/95/822914995.db2.gz	POKSKNMWFVKKAT-UHFFFAOYSA-N	-1	0	298.317	3.165	20	30		CGEDRM
O=C([O-])Cc1cccc(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001242264945	822930815	/nfs/dbraw/zinc/93/08/15/822930815.db2.gz	MCPNGVPCNLNCCL-VLGSPTGOSA-N	-1	0	281.311	3.105	20	30		CGEDRM
CC[C@H](C#N)c1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242336896	822954552	/nfs/dbraw/zinc/95/45/52/822954552.db2.gz	NZXZLIUHAUCXJM-LLVKDONJSA-N	-1	0	266.300	3.464	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cccc(C(=O)[O-])c1F	ZINC001242378190	822973948	/nfs/dbraw/zinc/97/39/48/822973948.db2.gz	QGNYOAOUSPQSHS-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(F)ccc1CC#N	ZINC001242390457	822978581	/nfs/dbraw/zinc/97/85/81/822978581.db2.gz	NZWYLOKRXJABCK-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC001339875473	936389616	/nfs/dbraw/zinc/38/96/16/936389616.db2.gz	KDEUGUODTRUDQA-ZDUSSCGKSA-N	-1	0	296.411	3.018	20	30		CGEDRM
CSc1ccccc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001347124091	936871340	/nfs/dbraw/zinc/87/13/40/936871340.db2.gz	OFHNVMIZBGFKBN-NSHDSACASA-N	-1	0	286.331	3.433	20	30		CGEDRM
Cc1cccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)c1	ZINC001228903615	927308814	/nfs/dbraw/zinc/30/88/14/927308814.db2.gz	ZOZCFNMMUBXUNI-NSHDSACASA-N	-1	0	254.289	3.107	20	30		CGEDRM
Cc1ccccc1[C@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228901500	927309592	/nfs/dbraw/zinc/30/95/92/927309592.db2.gz	LRZDUHBPDJWKFK-NSHDSACASA-N	-1	0	254.289	3.107	20	30		CGEDRM
Cc1cnc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)c1	ZINC001356059236	937151997	/nfs/dbraw/zinc/15/19/97/937151997.db2.gz	KKGVIDYWINSOIC-LBPRGKRZSA-N	-1	0	291.310	3.330	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(F)c1F	ZINC001447066075	937367324	/nfs/dbraw/zinc/36/73/24/937367324.db2.gz	WCAGEVGCOPPYCJ-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C=C(C)CONC(=O)CCc1cccc2ccccc21	ZINC001452772930	937398821	/nfs/dbraw/zinc/39/88/21/937398821.db2.gz	FRIXAJXYKLHXLT-UHFFFAOYSA-N	-1	0	269.344	3.396	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@H](c1ccccc1)C1CC1	ZINC001228898856	932047780	/nfs/dbraw/zinc/04/77/80/932047780.db2.gz	NRLSTCAZTMCRHP-OAHLLOKOSA-N	-1	0	266.300	3.189	20	30		CGEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230884163	932634358	/nfs/dbraw/zinc/63/43/58/932634358.db2.gz	OCFMVWFLJKLQEG-JTQLQIEISA-N	-1	0	262.284	3.208	20	30		CGEDRM
C#C[C@H](CCC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050043	932665971	/nfs/dbraw/zinc/66/59/71/932665971.db2.gz	QBMRUSXKCCCKRE-SSDOTTSWSA-N	-1	0	284.146	3.445	20	30		CGEDRM
N#Cc1cncc(-c2ccc3oc(=S)[n-]c3c2)c1	ZINC001242273261	932701947	/nfs/dbraw/zinc/70/19/47/932701947.db2.gz	UFQRYYWGXRUPCP-UHFFFAOYSA-N	-1	0	253.286	3.050	20	30		CGEDRM
CSc1cnc(F)c(C=C([O-])c2cccc(C#N)c2)c1	ZINC001250290238	932719689	/nfs/dbraw/zinc/71/96/89/932719689.db2.gz	ZTBUKDRPBQXTRC-UHFFFAOYSA-N	-1	0	286.331	3.240	20	30		CGEDRM
Cc1ccc(-c2nnc(-c3cccc(C#N)c3[O-])o2)cc1	ZINC001252696818	932722212	/nfs/dbraw/zinc/72/22/12/932722212.db2.gz	ILBDBQWSKLCUPT-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
C=CC[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001465174158	937698655	/nfs/dbraw/zinc/69/86/55/937698655.db2.gz	ZAPABMXKQPEDEF-ZETCQYMHSA-N	-1	0	274.147	3.393	20	30		CGEDRM
COc1cc(O)ccc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC001322495959	934307995	/nfs/dbraw/zinc/30/79/95/934307995.db2.gz	VLLQUZKTXBXFFO-VMPITWQZSA-N	-1	0	284.311	3.311	20	30		CGEDRM
C#C[C@@H](C)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1	ZINC001472764381	937783132	/nfs/dbraw/zinc/78/31/32/937783132.db2.gz	GDCRTGZGXGAOGW-SSDOTTSWSA-N	-1	0	282.130	3.477	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1	ZINC001326578009	934992066	/nfs/dbraw/zinc/99/20/66/934992066.db2.gz	NGPWFDJXRSUVIH-JTQLQIEISA-N	-1	0	299.292	3.359	20	30		CGEDRM
O=C([C@@H]1CC12CCCC2)N(O)Cc1ccc(F)cc1	ZINC001333200994	935516608	/nfs/dbraw/zinc/51/66/08/935516608.db2.gz	ARUIONCDMQLAHC-ZDUSSCGKSA-N	-1	0	263.312	3.124	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1	ZINC001334155724	936087728	/nfs/dbraw/zinc/08/77/28/936087728.db2.gz	JXSWFZLHMIPURW-AWEZNQCLSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC001335957309	936168629	/nfs/dbraw/zinc/16/86/29/936168629.db2.gz	WUBHEDCTMVNDQT-UHFFFAOYSA-N	-1	0	257.692	3.480	20	30		CGEDRM
C=CCCCCCCNC(=O)c1cccc(F)c1[O-]	ZINC001520903792	938028477	/nfs/dbraw/zinc/02/84/77/938028477.db2.gz	AHBPBRBBNRWJBM-UHFFFAOYSA-N	-1	0	265.328	3.398	20	30		CGEDRM
C=CCCCCCCNC(=O)Nc1cccnc1C(=O)[O-]	ZINC000314484358	950819821	/nfs/dbraw/zinc/81/98/21/950819821.db2.gz	PIAPFTGKQTUXIM-UHFFFAOYSA-N	-1	0	291.351	3.038	20	30		CGEDRM
O=C([O-])[C@@H]1CCN(CC#Cc2ccccc2)c2ccccc21	ZINC000388129401	972156624	/nfs/dbraw/zinc/15/66/24/972156624.db2.gz	BBSRJEPJANHUFN-QGZVFWFLSA-N	-1	0	291.350	3.117	20	30		CGEDRM
N#Cc1c(F)cccc1SCCC1(C(=O)[O-])CCC1	ZINC001594613841	956227231	/nfs/dbraw/zinc/22/72/31/956227231.db2.gz	DBYRSJWKEZXOIT-UHFFFAOYSA-N	-1	0	279.336	3.434	20	30		CGEDRM
CCCCCCCS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000104723800	958367150	/nfs/dbraw/zinc/36/71/50/958367150.db2.gz	UMMMVSZOIAVJKO-UHFFFAOYSA-N	-1	0	298.404	3.270	20	30		CGEDRM
N#Cc1c(F)cccc1OCc1ccc(C(=O)[O-])s1	ZINC000109600525	958379026	/nfs/dbraw/zinc/37/90/26/958379026.db2.gz	VVXYOKXGBIGBMV-UHFFFAOYSA-N	-1	0	277.276	3.036	20	30		CGEDRM
C#CCCCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000229723312	960089379	/nfs/dbraw/zinc/08/93/79/960089379.db2.gz	AMNBNRWCKFJDRP-UHFFFAOYSA-N	-1	0	296.710	3.162	20	30		CGEDRM
CC(C)(C#N)CCCSCc1cccc(C(=O)[O-])n1	ZINC001589554555	960497138	/nfs/dbraw/zinc/49/71/38/960497138.db2.gz	DNHMOENPEMJXMC-UHFFFAOYSA-N	-1	0	278.377	3.343	20	30		CGEDRM
C=CC1(CC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])CCCCC1	ZINC001573329639	962253242	/nfs/dbraw/zinc/25/32/42/962253242.db2.gz	JOYQFSSRWWCLIW-UKRRQHHQSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C#CCOc1ccccc1NCc1ccc(C(=O)[O-])c(C)c1	ZINC001573312492	962723450	/nfs/dbraw/zinc/72/34/50/962723450.db2.gz	VWWRQMPRJBPUCL-UHFFFAOYSA-N	-1	0	295.338	3.317	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-]	ZINC001573319731	962747119	/nfs/dbraw/zinc/74/71/19/962747119.db2.gz	AIOYTICPMQHSTN-SNVBAGLBSA-N	-1	0	295.404	3.195	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C)cc2C(=O)[O-])CC1	ZINC001573344259	962914152	/nfs/dbraw/zinc/91/41/52/962914152.db2.gz	QEBSHFZTTMSDLW-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=CC1(CC(=O)N(CC(=O)[O-])[C@H](C)CC)CCCCC1	ZINC001573351391	962977778	/nfs/dbraw/zinc/97/77/78/962977778.db2.gz	SSIHDCDUYLLQGK-CYBMUJFWSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=CCC1(C(=O)NCC2(C(=O)[O-])CCCC2)CCCCC1	ZINC001573352715	962991353	/nfs/dbraw/zinc/99/13/53/962991353.db2.gz	IMXORCHFCNRQFO-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001573366113	963058448	/nfs/dbraw/zinc/05/84/48/963058448.db2.gz	JSZRSEBMZCPJTB-UHFFFAOYSA-N	-1	0	293.338	3.342	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1	ZINC001588444549	963267138	/nfs/dbraw/zinc/26/71/38/963267138.db2.gz	IHKSGCNRBCLTLW-CYBMUJFWSA-N	-1	0	275.348	3.405	20	30		CGEDRM
C=C(C)CCNc1ccc(C(F)(F)F)c(-c2nn[nH]n2)c1	ZINC001588423960	963267885	/nfs/dbraw/zinc/26/78/85/963267885.db2.gz	DVEYOSXWHWXBSB-UHFFFAOYSA-N	-1	0	297.284	3.264	20	30		CGEDRM
C#C[C@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001588376030	963269754	/nfs/dbraw/zinc/26/97/54/963269754.db2.gz	OWHFWVWDSFNIIZ-ZDUSSCGKSA-N	-1	0	296.282	3.079	20	30		CGEDRM
C#CCN(Cc1ccsc1C(=O)[O-])Cc1ccccc1	ZINC001588471488	963275681	/nfs/dbraw/zinc/27/56/81/963275681.db2.gz	QXRJHACVYOVOJK-UHFFFAOYSA-N	-1	0	285.368	3.082	20	30		CGEDRM
C=CCC1(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CCC1	ZINC001588458813	963278632	/nfs/dbraw/zinc/27/86/32/963278632.db2.gz	ZOJPWJHYFLCISV-LBPRGKRZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C#Cc1ccc(NCc2csc(C(=O)[O-])c2)cc1	ZINC001588518043	963279617	/nfs/dbraw/zinc/27/96/17/963279617.db2.gz	NXISSUBPTWROBH-UHFFFAOYSA-N	-1	0	257.314	3.040	20	30		CGEDRM
C=CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC001588451773	963280023	/nfs/dbraw/zinc/28/00/23/963280023.db2.gz	ACLFAITYWXRXRZ-CQSZACIVSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=C(C)CN(Cc1ccccc1)C(=O)C(=C)CCC(=O)[O-]	ZINC001588567165	963287926	/nfs/dbraw/zinc/28/79/26/963287926.db2.gz	FMBJLWROZYYZKK-UHFFFAOYSA-N	-1	0	287.359	3.012	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1	ZINC001588621487	963292131	/nfs/dbraw/zinc/29/21/31/963292131.db2.gz	FCGQLYZQEFGZEK-VIFPVBQESA-N	-1	0	299.729	3.077	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@H]1CC(C)C	ZINC001588615548	963292247	/nfs/dbraw/zinc/29/22/47/963292247.db2.gz	XWZYTQBUIDIKMG-AWEZNQCLSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588676862	963298316	/nfs/dbraw/zinc/29/83/16/963298316.db2.gz	GQNRRUPHCDXQIL-UHFFFAOYSA-N	-1	0	276.336	3.027	20	30		CGEDRM
C=C[C@@H](C(=O)[O-])N(CC1CCCCC1)OCC(C)C	ZINC001588663141	963299570	/nfs/dbraw/zinc/29/95/70/963299570.db2.gz	CEEGGKHYCBRMLV-AWEZNQCLSA-N	-1	0	269.385	3.096	20	30		CGEDRM
C=C1CCC(C(=O)Oc2ccc(C(=O)[O-])cc2)CC1	ZINC001588650132	963299819	/nfs/dbraw/zinc/29/98/19/963299819.db2.gz	ZYWGSKCRNCUMSF-UHFFFAOYSA-N	-1	0	260.289	3.037	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588691088	963303601	/nfs/dbraw/zinc/30/36/01/963303601.db2.gz	QUMJAVIZNOKMBT-QMMMGPOBSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=CC[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1	ZINC001588721869	963305057	/nfs/dbraw/zinc/30/50/57/963305057.db2.gz	SUUVIPKNCBKWRF-AWEZNQCLSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC001588736136	963308117	/nfs/dbraw/zinc/30/81/17/963308117.db2.gz	TYIJYSIHTKFUMW-NSHDSACASA-N	-1	0	292.379	3.058	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)CCC1	ZINC001588764731	963308219	/nfs/dbraw/zinc/30/82/19/963308219.db2.gz	HOUOPNJDCHZHLE-UHFFFAOYSA-N	-1	0	288.347	3.082	20	30		CGEDRM
C=CCC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCCC1	ZINC001588763691	963309664	/nfs/dbraw/zinc/30/96/64/963309664.db2.gz	WJWPTDGDORWLDL-AWEZNQCLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CC[C@@H](Nc1cccc(C(C)(F)F)c1)C(=O)[O-]	ZINC001588750051	963309704	/nfs/dbraw/zinc/30/97/04/963309704.db2.gz	BURLIIUBIDWFHQ-LLVKDONJSA-N	-1	0	255.264	3.240	20	30		CGEDRM
C=CC[C@@H](SC[C@@H]1OCCc2ccccc21)C(=O)[O-]	ZINC001588758393	963310724	/nfs/dbraw/zinc/31/07/24/963310724.db2.gz	FNUORNCAAHUUGS-UONOGXRCSA-N	-1	0	278.373	3.063	20	30		CGEDRM
C=CC[C@@H](Sc1ncc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588757617	963311191	/nfs/dbraw/zinc/31/11/91/963311191.db2.gz	BMQXROPSRUYPLA-GFCCVEGCSA-N	-1	0	275.329	3.463	20	30		CGEDRM
C=CC[C@H](Nc1ccc2nc(C)sc2c1)C(=O)[O-]	ZINC001588751317	963311477	/nfs/dbraw/zinc/31/14/77/963311477.db2.gz	LHWLRWJKKRQKAX-NSHDSACASA-N	-1	0	262.334	3.046	20	30		CGEDRM
CC(C)(C)c1cc(NC(=O)CCCC(=O)[O-])c(C#N)s1	ZINC001588739451	963312870	/nfs/dbraw/zinc/31/28/70/963312870.db2.gz	OBGRUSOEVMYCOB-UHFFFAOYSA-N	-1	0	294.376	3.111	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC001588789652	963314820	/nfs/dbraw/zinc/31/48/20/963314820.db2.gz	HIMYUSOCYWGXFN-IHRRRGAJSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001588782830	963316642	/nfs/dbraw/zinc/31/66/42/963316642.db2.gz	NSZSRRTUGOGZPI-LBPRGKRZSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588777679	963317167	/nfs/dbraw/zinc/31/71/67/963317167.db2.gz	FPWYCEJLKVCFQT-UHFFFAOYSA-N	-1	0	282.365	3.313	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC001588792331	963317472	/nfs/dbraw/zinc/31/74/72/963317472.db2.gz	DDOXRSCVFUUEPN-CYBMUJFWSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CCCCCCOC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588799705	963322794	/nfs/dbraw/zinc/32/27/94/963322794.db2.gz	BGCBIRBAKNORPG-OLZOCXBDSA-N	-1	0	268.353	3.167	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)CCC(=O)[O-]	ZINC001588886164	963327176	/nfs/dbraw/zinc/32/71/76/963327176.db2.gz	BRSAREHBBXEFIH-UHFFFAOYSA-N	-1	0	275.348	3.342	20	30		CGEDRM
CC#CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC001588927144	963331252	/nfs/dbraw/zinc/33/12/52/963331252.db2.gz	OOJRPWBVZAXJFW-UHFFFAOYSA-N	-1	0	291.372	3.067	20	30		CGEDRM
CC#CCCOc1c(Cl)cccc1CCC(=O)[O-]	ZINC001588930873	963332195	/nfs/dbraw/zinc/33/21/95/963332195.db2.gz	DLIGNICYNRTRQI-UHFFFAOYSA-N	-1	0	266.724	3.149	20	30		CGEDRM
C[C@@H](CCC#N)CN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC001589011993	963339205	/nfs/dbraw/zinc/33/92/05/963339205.db2.gz	BUTGJAXEPOYULW-GXTWGEPZSA-N	-1	0	272.348	3.005	20	30		CGEDRM
CC(=NNc1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])co1	ZINC001589017036	963344718	/nfs/dbraw/zinc/34/47/18/963344718.db2.gz	SWSREKHDYVSYNK-UHFFFAOYSA-N	-1	0	298.220	3.231	20	30		CGEDRM
C#CCCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC001588440605	964040791	/nfs/dbraw/zinc/04/07/91/964040791.db2.gz	CVUHQSBIYBWHCJ-OAHLLOKOSA-N	-1	0	293.407	3.110	20	30		CGEDRM
C#CCCCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001588446306	964070619	/nfs/dbraw/zinc/07/06/19/964070619.db2.gz	GJFLLFUGKKUCNJ-UHFFFAOYSA-N	-1	0	296.326	3.073	20	30		CGEDRM
CCCCCCCNC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001603641220	973988956	/nfs/dbraw/zinc/98/89/56/973988956.db2.gz	WVVIHGNYEYTMED-UHFFFAOYSA-N	-1	0	292.379	3.154	20	30		CGEDRM
CC(C)c1nc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cs1	ZINC001592008169	976674915	/nfs/dbraw/zinc/67/49/15/976674915.db2.gz	FGDGOTTZEXXREX-ARJAWSKDSA-N	-1	0	290.344	3.189	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C/c2csc(C(=O)[O-])c2)cn1	ZINC001592122590	976935605	/nfs/dbraw/zinc/93/56/05/976935605.db2.gz	RDEWUQARSPVDLT-ONEGZZNKSA-N	-1	0	290.344	3.120	20	30		CGEDRM
CC[C@H]1C[C@H](CN=Nc2ccc(C)c(C(=O)[O-])c2)CCO1	ZINC001595407785	980994610	/nfs/dbraw/zinc/99/46/10/980994610.db2.gz	CXOHEMCQIMBDRZ-OCCSQVGLSA-N	-1	0	290.363	3.296	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC001595704613	982277212	/nfs/dbraw/zinc/27/72/12/982277212.db2.gz	DEEUCTPIJIALSK-LJISPDSOSA-N	-1	0	295.423	3.353	20	30		CGEDRM
CCc1cccc(CON=Cc2ccc(C(=O)[O-])cc2)c1	ZINC001597592646	988421921	/nfs/dbraw/zinc/42/19/21/988421921.db2.gz	KAZDZYOKUAGHLK-UHFFFAOYSA-N	-1	0	283.327	3.498	20	30		CGEDRM
CC(C)(CSc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC001590819984	990652287	/nfs/dbraw/zinc/65/22/87/990652287.db2.gz	DCGZYMDDURBWHT-UHFFFAOYSA-N	-1	0	269.753	3.415	20	30		CGEDRM
CN(Cc1cccc(C(=O)[O-])c1C#N)c1ccccc1F	ZINC001598526649	992728328	/nfs/dbraw/zinc/72/83/28/992728328.db2.gz	ADAHMQMSEZMBSV-UHFFFAOYSA-N	-1	0	284.290	3.032	20	30		CGEDRM
COc1ccc2c(c1)CC/C(=C/c1ccoc1C(=O)[O-])C2=O	ZINC001599626721	994159505	/nfs/dbraw/zinc/15/95/05/994159505.db2.gz	LTCKQHVWNKZSED-FLIBITNWSA-N	-1	0	298.294	3.199	20	30		CGEDRM
C[C@@H](c1cccc(C#N)c1)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001593699697	996171707	/nfs/dbraw/zinc/17/17/07/996171707.db2.gz	WGDOAIYTNBTWOG-LBPRGKRZSA-N	-1	0	292.338	3.333	20	30		CGEDRM
COc1ccc(C(=O)[O-])c(OCc2ccc(C#N)c(C)c2)c1	ZINC001599492128	996958208	/nfs/dbraw/zinc/95/82/08/996958208.db2.gz	JBJRSDHIZMRZGQ-UHFFFAOYSA-N	-1	0	297.310	3.153	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2ccc(C)c(C(=O)[O-])c2)CC1	ZINC001599105238	997463641	/nfs/dbraw/zinc/46/36/41/997463641.db2.gz	ZNJASYLVRGCYQA-AWEZNQCLSA-N	-1	0	290.363	3.440	20	30		CGEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])o1	ZINC001594120299	998267418	/nfs/dbraw/zinc/26/74/18/998267418.db2.gz	DFPVRFRCCHGUTR-TVNQGELYSA-N	-1	0	268.268	3.361	20	30		CGEDRM
C[C@H]1CCCC[C@H]1OCCN=c1[n-]c(C#N)c(Cl)s1	ZINC000590573474	346851746	/nfs/dbraw/zinc/85/17/46/346851746.db2.gz	YUEHBXNMEONOPS-GXSJLCMTSA-N	-1	0	299.827	3.097	20	30		CGEDRM
Cc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1	ZINC000080456507	345675003	/nfs/dbraw/zinc/67/50/03/345675003.db2.gz	VVTRTOFQFBKGTD-NSHDSACASA-N	-1	0	285.372	3.460	20	30		CGEDRM
Cc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254488863	346395539	/nfs/dbraw/zinc/39/55/39/346395539.db2.gz	MNWNYDLYBIKUPW-UHFFFAOYSA-N	-1	0	256.261	3.359	20	30		CGEDRM
C[C@H]1CN(c2cccc(C(F)F)c2C#N)CC[C@H]1C(=O)[O-]	ZINC000600802109	347837831	/nfs/dbraw/zinc/83/78/31/347837831.db2.gz	SIIMXYOZWMTKSV-VHSXEESVSA-N	-1	0	294.301	3.043	20	30		CGEDRM
CCCCc1[n-]n(-c2cccc(C#N)c2)c(=O)c1C	ZINC000601933009	347925921	/nfs/dbraw/zinc/92/59/21/347925921.db2.gz	WOJIIQPOJMMFJU-LLVKDONJSA-N	-1	0	255.321	3.087	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)c1O	ZINC000620305894	349353949	/nfs/dbraw/zinc/35/39/49/349353949.db2.gz	VIQQSUZXODHDEY-OKILXGFUSA-N	-1	0	271.360	3.278	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-]	ZINC000630321971	350823521	/nfs/dbraw/zinc/82/35/21/350823521.db2.gz	NMPXOPDAJXFWBI-AWEZNQCLSA-N	-1	0	289.375	3.133	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](CC)CCCC)C(=O)[O-]	ZINC000630325135	350824070	/nfs/dbraw/zinc/82/40/70/350824070.db2.gz	IGGWJPXELCQMLM-CHWSQXEVSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000634847463	351595888	/nfs/dbraw/zinc/59/58/88/351595888.db2.gz	HKFSWIPGZXDJFI-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000634947885	351607724	/nfs/dbraw/zinc/60/77/24/351607724.db2.gz	ZKMLBYAMZJAWRN-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
COc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041546303	369191020	/nfs/dbraw/zinc/19/10/20/369191020.db2.gz	YPNNXVRKFXKYTI-GFCCVEGCSA-N	-1	0	292.294	3.326	20	30		CGEDRM
C=CCCCS(=O)(=O)[N-]c1nc2ccc(C)cc2s1	ZINC000427788811	372175228	/nfs/dbraw/zinc/17/52/28/372175228.db2.gz	LXVRPORMDNDNOM-UHFFFAOYSA-N	-1	0	296.417	3.313	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C#N)o2)s1	ZINC000429563216	372373922	/nfs/dbraw/zinc/37/39/22/372373922.db2.gz	BSBWXWHZMNNPMJ-SNVBAGLBSA-N	-1	0	299.355	3.395	20	30		CGEDRM
CCC(CC)(CNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000165048855	372541715	/nfs/dbraw/zinc/54/17/15/372541715.db2.gz	WCUIHJFAZLCZNX-UHFFFAOYSA-N	-1	0	282.290	3.139	20	30		CGEDRM
C=CCC1(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)CCC1	ZINC000447800828	373492231	/nfs/dbraw/zinc/49/22/31/373492231.db2.gz	YAPXHBHZUHZKCI-UHFFFAOYSA-N	-1	0	285.347	3.085	20	30		CGEDRM
C=CCN=c1[n-]nc(SC[C@H]2CCC(F)(F)C2)s1	ZINC000450611614	374165523	/nfs/dbraw/zinc/16/55/23/374165523.db2.gz	PSYAVZAJKAVSSD-QMMMGPOBSA-N	-1	0	291.392	3.085	20	30		CGEDRM
Cc1noc(C2CC2)c1NC(=O)c1s[n-]c(=O)c1Cl	ZINC000328786719	374382508	/nfs/dbraw/zinc/38/25/08/374382508.db2.gz	ORWIVNQFXZQMMT-UHFFFAOYSA-N	-1	0	299.739	3.312	20	30		CGEDRM
CC1(C)CCC(CNC(=O)c2csc(=O)[nH]2)CC1	ZINC000329934592	374443123	/nfs/dbraw/zinc/44/31/23/374443123.db2.gz	JXBKDRUQKOQQPI-UHFFFAOYSA-N	-1	0	268.382	3.370	20	30		CGEDRM
CSc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000335816483	375454198	/nfs/dbraw/zinc/45/41/98/375454198.db2.gz	WTSVKIIIMGUYKH-NTMALXAHSA-N	-1	0	297.383	3.232	20	30		CGEDRM
N#CCC[C@@H](N=c1[n-]c(C2CCC2)no1)c1ccccc1	ZINC000515206162	375811462	/nfs/dbraw/zinc/81/14/62/375811462.db2.gz	IAVTYYNXJXXVIU-CQSZACIVSA-N	-1	0	282.347	3.216	20	30		CGEDRM
CCCc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000193611239	375897593	/nfs/dbraw/zinc/89/75/93/375897593.db2.gz	PSPFXKNQBKVPDF-FMIVXFBMSA-N	-1	0	293.370	3.463	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000238030423	376769464	/nfs/dbraw/zinc/76/94/64/376769464.db2.gz	MXXNKMHHJYGGGF-UHFFFAOYSA-N	-1	0	295.338	3.213	20	30		CGEDRM
COc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)cc1C#N	ZINC000340670879	377203124	/nfs/dbraw/zinc/20/31/24/377203124.db2.gz	DYJJQCWMWOBWSH-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
CC(C)c1nc(/C=C\c2ccc(C#N)s2)ncc1C(=O)[O-]	ZINC000254975935	377719594	/nfs/dbraw/zinc/71/95/94/377719594.db2.gz	SYURXQZSANSYFC-WAYWQWQTSA-N	-1	0	299.355	3.402	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000182841695	542226447	/nfs/dbraw/zinc/22/64/47/542226447.db2.gz	RVUNEUZIGZQKGF-ZDUSSCGKSA-N	-1	0	284.340	3.144	20	30		CGEDRM
N#Cc1cccc(Cl)c1NC1CCC(C(=O)[O-])CC1	ZINC000263540362	377945628	/nfs/dbraw/zinc/94/56/28/377945628.db2.gz	CFZFDYILODTIRU-UHFFFAOYSA-N	-1	0	278.739	3.267	20	30		CGEDRM
CC#CCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274702223	378879045	/nfs/dbraw/zinc/87/90/45/378879045.db2.gz	OAXUQVOPNQAVPG-UHFFFAOYSA-N	-1	0	269.703	3.317	20	30		CGEDRM
N#CC(=C([O-])c1cc2cc(F)ccc2s1)c1ccncn1	ZINC000354455636	380446021	/nfs/dbraw/zinc/44/60/21/380446021.db2.gz	BAUPDIOVTKRSNZ-LLVKDONJSA-N	-1	0	297.314	3.320	20	30		CGEDRM
N#C[C@H](C(=O)c1cc(Cl)cc2c1OCC2)c1ccccn1	ZINC000361282260	381675857	/nfs/dbraw/zinc/67/58/57/381675857.db2.gz	TVEPPDSYGQDJDQ-ZDUSSCGKSA-N	-1	0	298.729	3.160	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2nccc3ccccc32)n[nH]1	ZINC000361530521	381789396	/nfs/dbraw/zinc/78/93/96/381789396.db2.gz	KEZCKYNYAKPBDO-AWEZNQCLSA-N	-1	0	290.326	3.010	20	30		CGEDRM
C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC=CCC1	ZINC000331315712	335055427	/nfs/dbraw/zinc/05/54/27/335055427.db2.gz	DAQPEJDWAQVVLT-AWEZNQCLSA-N	-1	0	276.292	3.104	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)c1ccc(C(=O)[O-])o1	ZINC000238029768	131074061	/nfs/dbraw/zinc/07/40/61/131074061.db2.gz	TXJOOCYHPHOQLH-UHFFFAOYSA-N	-1	0	291.347	3.186	20	30		CGEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286629420	392385524	/nfs/dbraw/zinc/38/55/24/392385524.db2.gz	DJBGSEQCMJUGCV-MRVPVSSYSA-N	-1	0	287.718	3.104	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000262985952	131277639	/nfs/dbraw/zinc/27/76/39/131277639.db2.gz	PUWUCRKZUWAZBE-KBPBESRZSA-N	-1	0	289.375	3.091	20	30		CGEDRM
N#Cc1cccc(Cl)c1NCCCCCC(=O)[O-]	ZINC000416425420	393311268	/nfs/dbraw/zinc/31/12/68/393311268.db2.gz	DVBKDBLQAHIWNH-UHFFFAOYSA-N	-1	0	266.728	3.269	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cs1	ZINC000671780081	543190045	/nfs/dbraw/zinc/19/00/45/543190045.db2.gz	LRHUKPCEPWLCTA-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1	ZINC000425364723	416565124	/nfs/dbraw/zinc/56/51/24/416565124.db2.gz	HHFWYVMTDAHZRJ-CYBMUJFWSA-N	-1	0	281.359	3.160	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1ccc2ccccc2n1	ZINC000683689383	543932058	/nfs/dbraw/zinc/93/20/58/543932058.db2.gz	UBCMLVMRGCVRMD-NSHDSACASA-N	-1	0	279.324	3.181	20	30		CGEDRM
CC(C)c1nc(=NCc2ccc(C#N)c(Cl)c2)s[n-]1	ZINC000619747325	418934011	/nfs/dbraw/zinc/93/40/11/418934011.db2.gz	USXGBWRMELTUJQ-UHFFFAOYSA-N	-1	0	292.795	3.221	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000659165874	418963153	/nfs/dbraw/zinc/96/31/53/418963153.db2.gz	AVMDTKQIQQUOJO-QWHCGFSZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000659165984	418963603	/nfs/dbraw/zinc/96/36/03/418963603.db2.gz	DZFOWHSEVADAGF-BARDWOONSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCOc1cccc(NC(=O)C(CC)(CC)C(=O)[O-])c1	ZINC000653281880	419024295	/nfs/dbraw/zinc/02/42/95/419024295.db2.gz	DGXKOFDLYDUXBF-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1	ZINC000076756664	260166774	/nfs/dbraw/zinc/16/67/74/260166774.db2.gz	BTINJFVOCIRGMA-VHSXEESVSA-N	-1	0	287.406	3.220	20	30		CGEDRM
N#CC(=C([O-])c1cc(C#N)cs1)c1nc2ccccc2o1	ZINC000083938582	260359455	/nfs/dbraw/zinc/35/94/55/260359455.db2.gz	JUQNBTRGGFMNSJ-SNVBAGLBSA-N	-1	0	293.307	3.251	20	30		CGEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000085438328	260374889	/nfs/dbraw/zinc/37/48/89/260374889.db2.gz	KXRNCNNGNCUJAH-NSHDSACASA-N	-1	0	289.360	3.158	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000178318135	261385786	/nfs/dbraw/zinc/38/57/86/261385786.db2.gz	AXWQSCBWOPGGRY-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
Cc1nn(C(C)C)cc1C=CC(=O)c1sccc1[O-]	ZINC000280924634	263064992	/nfs/dbraw/zinc/06/49/92/263064992.db2.gz	GTSURCJETMZQND-SNAWJCMRSA-N	-1	0	276.361	3.436	20	30		CGEDRM
N#CC1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCCC1	ZINC000287079104	263100786	/nfs/dbraw/zinc/10/07/86/263100786.db2.gz	VWVSRWCGGFIPLQ-UHFFFAOYSA-N	-1	0	282.702	3.207	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CC1=CCCOC1	ZINC000287292129	263101651	/nfs/dbraw/zinc/10/16/51/263101651.db2.gz	SIVDBZBMGLVUBY-FRKPEAEDSA-N	-1	0	286.158	3.465	20	30		CGEDRM
C=CCCS(=O)(=O)Nc1ccc(Cl)cc1OCC	ZINC000120298082	263283816	/nfs/dbraw/zinc/28/38/16/263283816.db2.gz	KINIDGRTUCKOMR-UHFFFAOYSA-N	-1	0	289.784	3.057	20	30		CGEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1	ZINC000188254711	327748175	/nfs/dbraw/zinc/74/81/75/327748175.db2.gz	BTZKCKHVQGBTFY-UHFFFAOYSA-N	-1	0	284.290	3.070	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000312631600	326932862	/nfs/dbraw/zinc/93/28/62/326932862.db2.gz	MMYOVIOGZXMUEB-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
CCCc1cc(=O)[nH]c(SCC(C)(C)CC#N)n1	ZINC000583704993	329086532	/nfs/dbraw/zinc/08/65/32/329086532.db2.gz	XZZPTSFPOOGEHF-UHFFFAOYSA-N	-1	0	265.382	3.167	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccoc2)n1	ZINC000177766755	329186787	/nfs/dbraw/zinc/18/67/87/329186787.db2.gz	YQZHQCYNJBLOSQ-SNVBAGLBSA-N	-1	0	260.318	3.350	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000262975682	330038050	/nfs/dbraw/zinc/03/80/50/330038050.db2.gz	MYWQIWRYYNZANW-DZGCQCFKSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000263336435	330052476	/nfs/dbraw/zinc/05/24/76/330052476.db2.gz	QYXGMNKKPPNZPD-GFCCVEGCSA-N	-1	0	275.348	3.168	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCC1	ZINC000263539324	330059189	/nfs/dbraw/zinc/05/91/89/330059189.db2.gz	QBZFJHYORQAVFE-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cncs2)n1	ZINC000429666313	330551682	/nfs/dbraw/zinc/55/16/82/330551682.db2.gz	FASCJOHUUAMZDE-MRVPVSSYSA-N	-1	0	277.374	3.213	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457289665	331218268	/nfs/dbraw/zinc/21/82/68/331218268.db2.gz	IKXMFEHCLPRKNU-CYBMUJFWSA-N	-1	0	255.264	3.211	20	30		CGEDRM
C[C@@H](F)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000505547454	332743659	/nfs/dbraw/zinc/74/36/59/332743659.db2.gz	QOJGEQXSTNQEQM-SNVBAGLBSA-N	-1	0	267.348	3.090	20	30		CGEDRM
C[C@H](CC#N)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000080022385	334165175	/nfs/dbraw/zinc/16/51/75/334165175.db2.gz	QIADDVIMTMAYKE-SECBINFHSA-N	-1	0	288.734	3.231	20	30		CGEDRM
N#Cc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)s1	ZINC000578338644	335614825	/nfs/dbraw/zinc/61/48/25/335614825.db2.gz	QAETXCNRCMMBKP-UHFFFAOYSA-N	-1	0	276.342	3.319	20	30		CGEDRM
C=C(C)COc1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1	ZINC000580845018	335975125	/nfs/dbraw/zinc/97/51/25/335975125.db2.gz	WVEQKKFKGVITSJ-LBPRGKRZSA-N	-1	0	291.347	3.081	20	30		CGEDRM
Cc1c(C(=O)/C=C\c2cccc(O)c2)c(C#N)c2n1CCC2	ZINC000730084791	571948206	/nfs/dbraw/zinc/94/82/06/571948206.db2.gz	HMXRPGJCOHFMDQ-FPLPWBNLSA-N	-1	0	292.338	3.216	20	30		CGEDRM
COc1ccccc1S[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738142366	572365576	/nfs/dbraw/zinc/36/55/76/572365576.db2.gz	BQUILJFANBIDKY-HNNXBMFYSA-N	-1	0	299.351	3.485	20	30		CGEDRM
Cc1oc(C=NNc2cc(F)c(F)cc2F)cc1C(=O)[O-]	ZINC000738969636	572397921	/nfs/dbraw/zinc/39/79/21/572397921.db2.gz	NYYJWBAUDMDGQQ-UHFFFAOYSA-N	-1	0	298.220	3.150	20	30		CGEDRM
N#Cc1ccc(-c2cccc(CNC(=O)[O-])c2)s1	ZINC000739098479	572402119	/nfs/dbraw/zinc/40/21/19/572402119.db2.gz	GSQRMWQAXOFLTO-UHFFFAOYSA-N	-1	0	258.302	3.054	20	30		CGEDRM
CCNC(=S)[N-]c1ccccc1S[C@@H](C)CC#N	ZINC000731318832	572407763	/nfs/dbraw/zinc/40/77/63/572407763.db2.gz	DLTDNNNTFPTQRW-JTQLQIEISA-N	-1	0	279.434	3.387	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740310879	572439869	/nfs/dbraw/zinc/43/98/69/572439869.db2.gz	KWMLOLUVFHGVND-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
O=C([O-])N(CC/N=C/c1c(O)ccc2ccccc21)C1CC1	ZINC000740489486	572443281	/nfs/dbraw/zinc/44/32/81/572443281.db2.gz	OAKSTNVNYOPPQC-WOJGMQOQSA-N	-1	0	298.342	3.107	20	30		CGEDRM
O=C([O-])N1CCC[C@H]1C/N=C\c1c(O)ccc2ccccc21	ZINC000740518327	572444344	/nfs/dbraw/zinc/44/43/44/572444344.db2.gz	DWKVIKFCEUJXQZ-FHNWIRHTSA-N	-1	0	298.342	3.107	20	30		CGEDRM
O=C([O-])N1CCc2cc(N=Cc3ccccc3O)ccc21	ZINC000740530200	572444632	/nfs/dbraw/zinc/44/46/32/572444632.db2.gz	VTOGNDRXZRQNNP-UHFFFAOYSA-N	-1	0	282.299	3.183	20	30		CGEDRM
C[C@]1(c2ccccc2)C[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000741464398	572500704	/nfs/dbraw/zinc/50/07/04/572500704.db2.gz	OMFXKLKVZBCFAQ-RHUDWFJBSA-N	-1	0	296.326	3.450	20	30		CGEDRM
CC(C)CC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000726366348	572574014	/nfs/dbraw/zinc/57/40/14/572574014.db2.gz	YDQGEHIWKIDXHD-CQSZACIVSA-N	-1	0	269.344	3.042	20	30		CGEDRM
Cc1ccc(F)c(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000734977001	572693739	/nfs/dbraw/zinc/69/37/39/572693739.db2.gz	YKTPHOYCURYKLY-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
N#CC(=C([O-])C1=COCCC1)c1nc2ccccc2s1	ZINC000744016962	572697249	/nfs/dbraw/zinc/69/72/49/572697249.db2.gz	WQOHGQZFXPLXGQ-NSHDSACASA-N	-1	0	284.340	3.167	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2Cc2ccccc2)n1	ZINC000735609262	572732657	/nfs/dbraw/zinc/73/26/57/572732657.db2.gz	REKFBBINUDYYCL-AWEZNQCLSA-N	-1	0	296.374	3.301	20	30		CGEDRM
C[C@H](C#N)Oc1ccc(/C=C\c2ccc(C(=O)[O-])cn2)cc1	ZINC000736201508	572772826	/nfs/dbraw/zinc/77/28/26/572772826.db2.gz	HNMXUDAXEGKJAC-DBGMKRSLSA-N	-1	0	294.310	3.241	20	30		CGEDRM
C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccs1	ZINC000736662929	572804114	/nfs/dbraw/zinc/80/41/14/572804114.db2.gz	VBDVVPOWSDGZGL-YGRLFVJLSA-N	-1	0	286.356	3.096	20	30		CGEDRM
CCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000737204373	572866069	/nfs/dbraw/zinc/86/60/69/572866069.db2.gz	VCOBTIUMBPTYCS-MRXNPFEDSA-N	-1	0	296.326	3.195	20	30		CGEDRM
CC1(C)CCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749930428	573061873	/nfs/dbraw/zinc/06/18/73/573061873.db2.gz	KPCSMIHCYQOFEG-MLJKTZRHSA-N	-1	0	262.309	3.298	20	30		CGEDRM
N#Cc1cc(CSCc2ccc(C(=O)[O-])cc2)ccn1	ZINC000821329721	597346992	/nfs/dbraw/zinc/34/69/92/597346992.db2.gz	GXWCCIWGZKQOCS-UHFFFAOYSA-N	-1	0	284.340	3.085	20	30		CGEDRM
O=C([O-])CCNN=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000821524882	597740698	/nfs/dbraw/zinc/74/06/98/597740698.db2.gz	JBTMLPVRJGSLJF-UHFFFAOYSA-N	-1	0	295.553	3.045	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000040547225	599816196	/nfs/dbraw/zinc/81/61/96/599816196.db2.gz	VQRKXNVNLAQVAS-UHFFFAOYSA-N	-1	0	298.289	3.093	20	30		CGEDRM
N#Cc1cc(F)ccc1CSc1ncccc1C(=O)[O-]	ZINC000071249649	599890918	/nfs/dbraw/zinc/89/09/18/599890918.db2.gz	LNWGDSJGWUFKRU-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
C[C@H](C#N)CN(C)Cc1c2ccccc2sc1C(=O)[O-]	ZINC000042455940	599936829	/nfs/dbraw/zinc/93/68/29/599936829.db2.gz	KSPFRRPZBGRIHT-SNVBAGLBSA-N	-1	0	288.372	3.191	20	30		CGEDRM
CCCCCCCNC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000686000739	600129653	/nfs/dbraw/zinc/12/96/53/600129653.db2.gz	YHHBKTZKZBQEQD-UHFFFAOYSA-N	-1	0	278.352	3.477	20	30		CGEDRM
O=C([O-])c1occc1/C=C1\Cc2cc(Cl)ccc2C1=O	ZINC000833354710	600830820	/nfs/dbraw/zinc/83/08/20/600830820.db2.gz	BZZJDVZDLHSTLQ-BJMVGYQFSA-N	-1	0	288.686	3.454	20	30		CGEDRM
N#Cc1cccc([C@@H](Nc2ccc3c(c2)CCC3)C(=O)[O-])c1	ZINC000833076474	601298138	/nfs/dbraw/zinc/29/81/38/601298138.db2.gz	VRJAHQIBMKGJQG-QGZVFWFLSA-N	-1	0	292.338	3.285	20	30		CGEDRM
Cc1cc(C)c(NN=Cc2ccc(C(=O)[O-])[nH]2)c(C)c1	ZINC000832875113	601337042	/nfs/dbraw/zinc/33/70/42/601337042.db2.gz	UVVOXSDDCUNEKK-UHFFFAOYSA-N	-1	0	271.320	3.084	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/Cc3c(cccc3Cl)C2=O)c[nH]1	ZINC000833297441	601793396	/nfs/dbraw/zinc/79/33/96/601793396.db2.gz	GDPYLVWLBFQGTJ-WTKPLQERSA-N	-1	0	287.702	3.189	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2c(Cl)cccc2Cl)[nH]1	ZINC000763187564	601954822	/nfs/dbraw/zinc/95/48/22/601954822.db2.gz	DOAJDNORBBMHJN-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cc3c(s2)CCC3)c[nH]1	ZINC000833298333	602149580	/nfs/dbraw/zinc/14/95/80/602149580.db2.gz	SFXCEJMOFRIHJG-PLNGDYQASA-N	-1	0	287.340	3.159	20	30		CGEDRM
O=C([O-])N1CCC(CN=Nc2ccc(Cl)cc2)CC1	ZINC000831869278	603856568	/nfs/dbraw/zinc/85/65/68/603856568.db2.gz	KXWVIIFGYAXFBQ-UHFFFAOYSA-N	-1	0	281.743	3.128	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000823496316	603889466	/nfs/dbraw/zinc/88/94/66/603889466.db2.gz	HVAGYDNABRPGJG-UHFFFAOYSA-N	-1	0	288.347	3.018	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1	ZINC000823490368	604066870	/nfs/dbraw/zinc/06/68/70/604066870.db2.gz	AHTKXQBOHTUAFV-UHFFFAOYSA-N	-1	0	289.331	3.475	20	30		CGEDRM
Cc1ccc(C#N)cc1NCc1cccc(C(=O)[O-])c1C#N	ZINC000833747399	604539024	/nfs/dbraw/zinc/53/90/24/604539024.db2.gz	NIZXTBVDHMJMEA-UHFFFAOYSA-N	-1	0	291.310	3.049	20	30		CGEDRM
C/C=C(/C=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC	ZINC000828542846	604618855	/nfs/dbraw/zinc/61/88/55/604618855.db2.gz	OBHMWYYLXZTFFX-TZLGPWPZSA-N	-1	0	299.326	3.140	20	30		CGEDRM
COCc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000831813266	604629693	/nfs/dbraw/zinc/62/96/93/604629693.db2.gz	WDGFFUBADCIIID-WDZFZDKYSA-N	-1	0	296.322	3.427	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000833310831	604631842	/nfs/dbraw/zinc/63/18/42/604631842.db2.gz	VZAXUOVQYOHJOI-XCVCLJGOSA-N	-1	0	297.266	3.189	20	30		CGEDRM
CN(C(=O)[O-])c1ccc(NCc2ccc(C#N)s2)cc1	ZINC000830519834	604646209	/nfs/dbraw/zinc/64/62/09/604646209.db2.gz	XLXCEWSWGCNARO-UHFFFAOYSA-N	-1	0	287.344	3.346	20	30		CGEDRM
Cc1cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(C)s1	ZINC000763369628	604666593	/nfs/dbraw/zinc/66/65/93/604666593.db2.gz	IVPBCHOHBHJQTD-UHFFFAOYSA-N	-1	0	289.360	3.294	20	30		CGEDRM
O=C([O-])c1ccccc1N=NCCc1ccc(F)cc1	ZINC000759196179	605099447	/nfs/dbraw/zinc/09/94/47/605099447.db2.gz	IEXWTMSBASLUAD-UHFFFAOYSA-N	-1	0	272.279	3.164	20	30		CGEDRM
CC1(C)CCC/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000757531047	605145444	/nfs/dbraw/zinc/14/54/44/605145444.db2.gz	XYLSDEPOWBEDFO-JLHYYAGUSA-N	-1	0	288.343	3.313	20	30		CGEDRM
C=CCN(C(=O)c1ccc(NC(=O)[O-])c(C)c1)C(C)C	ZINC000823501274	605605971	/nfs/dbraw/zinc/60/59/71/605605971.db2.gz	UFLZSKSYFRHNIS-UHFFFAOYSA-N	-1	0	276.336	3.122	20	30		CGEDRM
O=C([O-])N[C@H]1CCCCCC1N=Nc1ncccc1Cl	ZINC000834186829	606079506	/nfs/dbraw/zinc/07/95/06/606079506.db2.gz	VBEAMFTTYKTQCO-JTQLQIEISA-N	-1	0	296.758	3.103	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000899538512	620708285	/nfs/dbraw/zinc/70/82/85/620708285.db2.gz	ROWPHJJNXVZWPX-JTQLQIEISA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000899544801	620708670	/nfs/dbraw/zinc/70/86/70/620708670.db2.gz	RUZPHZCGDILSOC-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1	ZINC000899856185	620732295	/nfs/dbraw/zinc/73/22/95/620732295.db2.gz	NGYHFUXEWVDBCN-GJZGRUSLSA-N	-1	0	285.343	3.325	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000049501789	617611205	/nfs/dbraw/zinc/61/12/05/617611205.db2.gz	RUPVEJAQGIOBIL-SSDOTTSWSA-N	-1	0	275.395	3.056	20	30		CGEDRM
O=C1c2cc(F)ccc2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000254989090	617717638	/nfs/dbraw/zinc/71/76/38/617717638.db2.gz	QJQUSLYNTBAJFJ-VZUCSPMQSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000255076961	617909224	/nfs/dbraw/zinc/90/92/24/617909224.db2.gz	OAJQCXXGHYONRL-DAXSKMNVSA-N	-1	0	287.271	3.352	20	30		CGEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2ccc(C#N)cc2)c1	ZINC000156702145	618130915	/nfs/dbraw/zinc/13/09/15/618130915.db2.gz	CVWIKGSGXMQBAI-VQHVLOKHSA-N	-1	0	263.296	3.468	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2Cl)c1	ZINC000176819993	618740451	/nfs/dbraw/zinc/74/04/51/618740451.db2.gz	AMSXZMGJXBHYAA-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
COc1ccc(C)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000255634478	618769135	/nfs/dbraw/zinc/76/91/35/618769135.db2.gz	YIGYBLONSOIBHR-UHFFFAOYSA-N	-1	0	286.287	3.368	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2cc(F)ccc2[O-])cn1	ZINC000176955475	618769844	/nfs/dbraw/zinc/76/98/44/618769844.db2.gz	FMXIZSIPHFHPLF-HWKANZROSA-N	-1	0	274.295	3.205	20	30		CGEDRM
Cc1cc(F)cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255737758	618783267	/nfs/dbraw/zinc/78/32/67/618783267.db2.gz	SDOCMSBNQFKIQN-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1ccc(C(=O)[O-])c(F)c1	ZINC000777460573	619155180	/nfs/dbraw/zinc/15/51/80/619155180.db2.gz	QJBLGWGFBSGVFH-UHFFFAOYSA-N	-1	0	293.216	3.217	20	30		CGEDRM
O=C1c2cc(F)ccc2C/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000178724797	619380120	/nfs/dbraw/zinc/38/01/20/619380120.db2.gz	SEOVNOYSAYRLER-IZZDOVSWSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518925	619502942	/nfs/dbraw/zinc/50/29/42/619502942.db2.gz	VLNSXJZAUQREFR-UHFFFAOYSA-N	-1	0	275.757	3.175	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519103	619503095	/nfs/dbraw/zinc/50/30/95/619503095.db2.gz	KWEJFVACSFDENK-UHFFFAOYSA-N	-1	0	273.329	3.051	20	30		CGEDRM
CC[C@H](NN=C1CC(C)(C)CC(C)(C)C1)C(=O)[O-]	ZINC000793055543	619676429	/nfs/dbraw/zinc/67/64/29/619676429.db2.gz	ACEUFHLNQDXISY-NSHDSACASA-N	-1	0	254.374	3.032	20	30		CGEDRM
C[C@@H](NN=Cc1ccc(C(=O)[O-])cc1Cl)C(C)(C)C	ZINC000793115553	619680540	/nfs/dbraw/zinc/68/05/40/619680540.db2.gz	RNKLZZVWAFMHQY-SECBINFHSA-N	-1	0	282.771	3.396	20	30		CGEDRM
C=C1CCC(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1	ZINC000909488953	619763185	/nfs/dbraw/zinc/76/31/85/619763185.db2.gz	UEUCXAFNWCOGJN-CQSZACIVSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909518586	619810640	/nfs/dbraw/zinc/81/06/40/619810640.db2.gz	BWIIFPUJHOKVLB-SJCJKPOMSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909525157	619859562	/nfs/dbraw/zinc/85/95/62/619859562.db2.gz	WAARXWLGAFNOHS-LBPRGKRZSA-N	-1	0	289.375	3.491	20	30		CGEDRM
N#CC[C@@H](NCc1cc(Cl)cc(F)c1[O-])C(F)(F)F	ZINC000896697937	620048528	/nfs/dbraw/zinc/04/85/28/620048528.db2.gz	CYJHUOJYXMCQEQ-SECBINFHSA-N	-1	0	296.651	3.119	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(C)=O)ccc2[O-])CC1	ZINC000897311792	620190605	/nfs/dbraw/zinc/19/06/05/620190605.db2.gz	NJJPJFHPYCUIBI-UHFFFAOYSA-N	-1	0	273.332	3.280	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cc(F)ccc1F	ZINC000901321205	620860336	/nfs/dbraw/zinc/86/03/36/620860336.db2.gz	VTDUTEPEVPEXIC-UHFFFAOYSA-N	-1	0	282.290	3.398	20	30		CGEDRM
C#Cc1cccc(N[C@@H]2CCC[C@@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901452698	620885754	/nfs/dbraw/zinc/88/57/54/620885754.db2.gz	ZJVDEGTXTCTJLZ-TZMCWYRMSA-N	-1	0	293.313	3.359	20	30		CGEDRM
C=CCCc1ccc(-c2c(C(=O)[O-])nn3c2CCC3)cc1	ZINC000906247219	622198783	/nfs/dbraw/zinc/19/87/83/622198783.db2.gz	ZSFGTLKDPGZIGO-UHFFFAOYSA-N	-1	0	282.343	3.313	20	30		CGEDRM
N#Cc1ccc(-c2cccc3c2C[C@H]2[C@@H]3[C@H]2C(=O)[O-])s1	ZINC000906237647	622203766	/nfs/dbraw/zinc/20/37/66/622203766.db2.gz	IQQQWQMUIQIPCC-CFVMTHIKSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C=C[C@H](CC)CC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000907627345	622303939	/nfs/dbraw/zinc/30/39/39/622303939.db2.gz	WHIYQINACHHPIO-CYBMUJFWSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCCCN(CC)C(=O)CCc1ccccc1C(=O)[O-]	ZINC000908220502	622333680	/nfs/dbraw/zinc/33/36/80/622333680.db2.gz	IGKLMRYGBPYDCT-UHFFFAOYSA-N	-1	0	289.375	3.132	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000908608331	622359307	/nfs/dbraw/zinc/35/93/07/622359307.db2.gz	JVUJMDNUVCUNGF-ZDUSSCGKSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1	ZINC000909086061	622389535	/nfs/dbraw/zinc/38/95/35/622389535.db2.gz	JSLAFDHIXVJYCM-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909832644	622428450	/nfs/dbraw/zinc/42/84/50/622428450.db2.gz	FPTZYXRKRIJKQP-JTQLQIEISA-N	-1	0	261.321	3.025	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C2CCC2)c1)C(=O)[O-]	ZINC000910293376	622473037	/nfs/dbraw/zinc/47/30/37/622473037.db2.gz	XUCQFUUAEITOIP-HNNXBMFYSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1sccc1C1CC1)C(=O)[O-]	ZINC000910917866	622508531	/nfs/dbraw/zinc/50/85/31/622508531.db2.gz	DVBWHQINHWRUBH-GFCCVEGCSA-N	-1	0	293.388	3.165	20	30		CGEDRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1[O-]	ZINC000156675485	622833913	/nfs/dbraw/zinc/83/39/13/622833913.db2.gz	OZFIYBMEUPUKRR-GQCTYLIASA-N	-1	0	287.246	3.336	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(F)cc2[O-])c1	ZINC000156713629	622841388	/nfs/dbraw/zinc/84/13/88/622841388.db2.gz	QOMVIOATQLFQIH-DUXPYHPUSA-N	-1	0	273.288	3.361	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045100110	622843038	/nfs/dbraw/zinc/84/30/38/622843038.db2.gz	UESBQTKKVKHVIG-UHFFFAOYSA-N	-1	0	287.356	3.048	20	30		CGEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000916240366	624123766	/nfs/dbraw/zinc/12/37/66/624123766.db2.gz	ABZCKROQUAWTPD-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
CCOc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000916255381	624126014	/nfs/dbraw/zinc/12/60/14/624126014.db2.gz	WWXXKLWJZRUMEW-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1	ZINC000170851995	624656529	/nfs/dbraw/zinc/65/65/29/624656529.db2.gz	ARTXEBLJZVAKSC-GQCTYLIASA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000102008417	634444649	/nfs/dbraw/zinc/44/46/49/634444649.db2.gz	XNWZOFXSPQXPRE-HNNXBMFYSA-N	-1	0	291.391	3.159	20	30		CGEDRM
N#Cc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000184517392	625242894	/nfs/dbraw/zinc/24/28/94/625242894.db2.gz	FRPZQJSRUHGCKV-AATRIKPKSA-N	-1	0	255.298	3.221	20	30		CGEDRM
C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054411	625981103	/nfs/dbraw/zinc/98/11/03/625981103.db2.gz	VHYPSMSIULFZEX-QWRGUYRKSA-N	-1	0	273.398	3.042	20	30		CGEDRM
Cc1cc(=O)[nH]c(NN=C2CC[C@@H](C)c3ccccc32)n1	ZINC000752713631	626435585	/nfs/dbraw/zinc/43/55/85/626435585.db2.gz	RWHBBZMTIAFRIF-SNVBAGLBSA-N	-1	0	282.347	3.204	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000755585027	626630116	/nfs/dbraw/zinc/63/01/16/626630116.db2.gz	OXGAWNQKDNDTFC-AATRIKPKSA-N	-1	0	283.308	3.214	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000755587391	626630127	/nfs/dbraw/zinc/63/01/27/626630127.db2.gz	UFQVPYBYIWPYAM-MDZDMXLPSA-N	-1	0	291.306	3.081	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccccc2C#N)ccc1O	ZINC000755593963	626630367	/nfs/dbraw/zinc/63/03/67/626630367.db2.gz	QSCXIIOAHDLYDS-RMKNXTFCSA-N	-1	0	263.296	3.468	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccsc1	ZINC000756900958	626740143	/nfs/dbraw/zinc/74/01/43/626740143.db2.gz	FOCXZODRJLOOPT-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1cc(F)cc(F)c1[O-]	ZINC000757459525	626779567	/nfs/dbraw/zinc/77/95/67/626779567.db2.gz	IUOCMYNFEDSPCA-UHFFFAOYSA-N	-1	0	287.269	3.378	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2cc3ccccc3o2)c1	ZINC000759718497	626917725	/nfs/dbraw/zinc/91/77/25/626917725.db2.gz	YMMKZAQQAUGZRC-UHFFFAOYSA-N	-1	0	292.294	3.191	20	30		CGEDRM
O=C([O-])c1ccc(N=NC(c2ccc(F)cc2)C2CC2)nc1	ZINC000763372098	627154860	/nfs/dbraw/zinc/15/48/60/627154860.db2.gz	RTCCSACGVPYATO-UHFFFAOYSA-N	-1	0	299.305	3.145	20	30		CGEDRM
Cc1cccc2[nH]cc(CN=Nc3ccc(C(=O)[O-])cn3)c21	ZINC000763372118	627154888	/nfs/dbraw/zinc/15/48/88/627154888.db2.gz	TWDWYSHZJNULFR-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
CC#CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000764652138	627216181	/nfs/dbraw/zinc/21/61/81/627216181.db2.gz	YXGZNRXRRDAHKQ-UHFFFAOYSA-N	-1	0	278.522	3.314	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCC3(CC3)CC2)c1	ZINC000765971068	627283146	/nfs/dbraw/zinc/28/31/46/627283146.db2.gz	ZDKNYSSFOJNEBR-MHWRWJLKSA-N	-1	0	274.320	3.442	20	30		CGEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])c(C)o1	ZINC000767899402	627442289	/nfs/dbraw/zinc/44/22/89/627442289.db2.gz	IQEPZRURTHMDJY-UHFFFAOYSA-N	-1	0	258.277	3.041	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)c([O-])c1	ZINC000772804606	627824590	/nfs/dbraw/zinc/82/45/90/627824590.db2.gz	YQVKMQZQQUTHAE-QPJJXVBHSA-N	-1	0	297.285	3.308	20	30		CGEDRM
CC1(C)CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000773502001	627891733	/nfs/dbraw/zinc/89/17/33/627891733.db2.gz	SZZVDVFGDMIBNW-LLVKDONJSA-N	-1	0	258.321	3.029	20	30		CGEDRM
CC1(C)CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000773502006	627891780	/nfs/dbraw/zinc/89/17/80/627891780.db2.gz	SZZVDVFGDMIBNW-NSHDSACASA-N	-1	0	258.321	3.029	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)/C(=C\c1cccc(C(=O)[O-])c1)O2	ZINC000774117265	627947305	/nfs/dbraw/zinc/94/73/05/627947305.db2.gz	DUFXWNRNZSJHKP-VGOFMYFVSA-N	-1	0	296.278	3.015	20	30		CGEDRM
CCC(CC)CNN=Cc1cc(F)c([O-])c(F)c1	ZINC000774478288	627996282	/nfs/dbraw/zinc/99/62/82/627996282.db2.gz	PBNYGRXTIVWXAD-UHFFFAOYSA-N	-1	0	256.296	3.030	20	30		CGEDRM
C[C@@H](Oc1cccc(C=NOC2CCCCC2)c1)C(=O)[O-]	ZINC000777456721	628272535	/nfs/dbraw/zinc/27/25/35/628272535.db2.gz	FWPICSYLOPPZDI-GFCCVEGCSA-N	-1	0	291.347	3.222	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cccc3cnccc23)cc1	ZINC000782892271	628665566	/nfs/dbraw/zinc/66/55/66/628665566.db2.gz	AFYPCXJQOJXEHN-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CC[C@H]1CCC[C@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000783820998	628749678	/nfs/dbraw/zinc/74/96/78/628749678.db2.gz	JGRCXEOKSUJKHE-UWVGGRQHSA-N	-1	0	282.775	3.450	20	30		CGEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(C)cc1	ZINC000785511518	628868394	/nfs/dbraw/zinc/86/83/94/628868394.db2.gz	XFXLNVIZYYEQEA-UHFFFAOYSA-N	-1	0	280.327	3.239	20	30		CGEDRM
CC1(C)CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000790007361	629178702	/nfs/dbraw/zinc/17/87/02/629178702.db2.gz	QYGFRHOKHMEKFZ-LBPRGKRZSA-N	-1	0	272.348	3.419	20	30		CGEDRM
C#C[C@H](CCC)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790098019	629183947	/nfs/dbraw/zinc/18/39/47/629183947.db2.gz	DHBHYPXJIXTFCQ-OXFWXOROSA-N	-1	0	280.711	3.175	20	30		CGEDRM
CCN(C)c1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cn1	ZINC000790222115	629195022	/nfs/dbraw/zinc/19/50/22/629195022.db2.gz	NNVJLYKMQFBLEJ-TWGQIWQCSA-N	-1	0	296.370	3.448	20	30		CGEDRM
CCCCOc1ccc(C(C)=NN[C@@H](CC)C(=O)[O-])cc1	ZINC000793057943	629406247	/nfs/dbraw/zinc/40/62/47/629406247.db2.gz	RYNAIHDXQRFVRP-HNNXBMFYSA-N	-1	0	292.379	3.042	20	30		CGEDRM
CC[C@H](NN=C(C(C)C)C1CCCCC1)C(=O)[O-]	ZINC000793055973	629406615	/nfs/dbraw/zinc/40/66/15/629406615.db2.gz	RACMERQHZGKJDE-LBPRGKRZSA-N	-1	0	254.374	3.032	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(Cl)o1	ZINC000864340067	629814409	/nfs/dbraw/zinc/81/44/09/629814409.db2.gz	OBJLOANETLIMBU-UHFFFAOYSA-N	-1	0	264.668	3.077	20	30		CGEDRM
C#C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C	ZINC000806551484	630565623	/nfs/dbraw/zinc/56/56/23/630565623.db2.gz	LGRUDRIDYYANBF-GGNJANJASA-N	-1	0	294.738	3.421	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1	ZINC000806559119	630566689	/nfs/dbraw/zinc/56/66/89/630566689.db2.gz	VHODDDIEBBMBCY-CMDGGOBGSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2nc(Cl)cs2)c1	ZINC000806558627	630566780	/nfs/dbraw/zinc/56/67/80/630566780.db2.gz	HUOKUVMXALWNAR-SNAWJCMRSA-N	-1	0	293.731	3.391	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc(O)c(F)c2)c1	ZINC000806559101	630566969	/nfs/dbraw/zinc/56/69/69/630566969.db2.gz	UWPSVDAVPOFOJW-GQCTYLIASA-N	-1	0	286.258	3.126	20	30		CGEDRM
CC(C)(C)[C@@H]1CCC1=NNc1cnnc([O-])c1Cl	ZINC000807959760	630609044	/nfs/dbraw/zinc/60/90/44/630609044.db2.gz	ZJPLLYFLAJLZFM-SSDOTTSWSA-N	-1	0	268.748	3.060	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccc(F)c2C#N)c([O-])c1	ZINC000811691835	631110604	/nfs/dbraw/zinc/11/06/04/631110604.db2.gz	SVOMHAUJQPZXFZ-VMPITWQZSA-N	-1	0	297.285	3.308	20	30		CGEDRM
COc1ccc(F)cc1C=CC(=O)c1sccc1[O-]	ZINC000812242519	631231995	/nfs/dbraw/zinc/23/19/95/631231995.db2.gz	RSBNSQGXKVKGSH-RQOWECAXSA-N	-1	0	278.304	3.498	20	30		CGEDRM
CC(=NOCCC1CC1)c1cc(F)cc(F)c1[O-]	ZINC000814247110	631561566	/nfs/dbraw/zinc/56/15/66/631561566.db2.gz	RNFWACYZMWADPN-UHFFFAOYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
C[C@H](NN=Cc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000814815369	631647765	/nfs/dbraw/zinc/64/77/65/631647765.db2.gz	VGRPHAKJAYOBTC-LBPRGKRZSA-N	-1	0	268.316	3.070	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOCC(F)(F)F	ZINC000814879540	631661844	/nfs/dbraw/zinc/66/18/44/631661844.db2.gz	FJIDGVWCUZUFMD-UHFFFAOYSA-N	-1	0	287.237	3.004	20	30		CGEDRM
O=C([O-])C1(c2ccccc2)CC(=NNC2CCCCC2)C1	ZINC000814910505	631677834	/nfs/dbraw/zinc/67/78/34/631677834.db2.gz	YHNNELCDUMZQBT-UHFFFAOYSA-N	-1	0	286.375	3.081	20	30		CGEDRM
Cc1cccnc1N=NC1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814911732	631678835	/nfs/dbraw/zinc/67/88/35/631678835.db2.gz	SDAJISPNRGLHMM-NEPJUHHUSA-N	-1	0	289.379	3.315	20	30		CGEDRM
Cc1cccnc1N=NC1CCCc2cc(C(=O)[O-])ccc21	ZINC000814911402	631679385	/nfs/dbraw/zinc/67/93/85/631679385.db2.gz	GAWQYHAITUROSL-UHFFFAOYSA-N	-1	0	295.342	3.241	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814939648	631694006	/nfs/dbraw/zinc/69/40/06/631694006.db2.gz	XXKUQGYICDQEJE-AAEUAGOBSA-N	-1	0	293.363	3.325	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000815814970	631826471	/nfs/dbraw/zinc/82/64/71/631826471.db2.gz	FRJBPFGGKQXPNF-UHFFFAOYSA-N	-1	0	284.287	3.266	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000816151736	631891112	/nfs/dbraw/zinc/89/11/12/631891112.db2.gz	LRKLXWCODUJCTE-UHFFFAOYSA-N	-1	0	279.645	3.335	20	30		CGEDRM
CO[C@@H](C#N)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000844205098	635831561	/nfs/dbraw/zinc/83/15/61/635831561.db2.gz	NKLWOSGJUQWIAZ-HNNXBMFYSA-N	-1	0	267.284	3.263	20	30		CGEDRM
COCC(CC(C)(C)C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000844600506	635940605	/nfs/dbraw/zinc/94/06/05/635940605.db2.gz	LDBBRABPXZXSMF-UHFFFAOYSA-N	-1	0	296.342	3.374	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC000824972411	633312722	/nfs/dbraw/zinc/31/27/22/633312722.db2.gz	NHUYTVXMMUXKHN-JTQLQIEISA-N	-1	0	281.302	3.099	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000880256786	635958585	/nfs/dbraw/zinc/95/85/85/635958585.db2.gz	QXBSLOBLGYICFE-UHFFFAOYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
N#C[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000830064678	633822820	/nfs/dbraw/zinc/82/28/20/633822820.db2.gz	BNRNUGNWTIOUPC-MRVPVSSYSA-N	-1	0	299.157	3.075	20	30		CGEDRM
C=C1CCC(CNC(=O)c2cc(F)c(F)c([O-])c2F)CC1	ZINC000830994923	633906309	/nfs/dbraw/zinc/90/63/09/633906309.db2.gz	VBXREEKMIICBLG-UHFFFAOYSA-N	-1	0	299.292	3.286	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000872751356	634202407	/nfs/dbraw/zinc/20/24/07/634202407.db2.gz	BWGWFCKIWHZABR-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
CC1=C[C@@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835006191	634311518	/nfs/dbraw/zinc/31/15/18/634311518.db2.gz	AXKIAHWLGDXSMK-ZYHUDNBSSA-N	-1	0	273.336	3.170	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCCC2CC2)c(F)c1	ZINC000835009520	634314381	/nfs/dbraw/zinc/31/43/81/634314381.db2.gz	XZPUBERWOVKLAY-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2(C)CCOCC2)n1	ZINC000835036775	634328293	/nfs/dbraw/zinc/32/82/93/634328293.db2.gz	NJROYPHVWTZZAR-MVZIDQBPSA-N	-1	0	290.388	3.001	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000840984571	635100416	/nfs/dbraw/zinc/10/04/16/635100416.db2.gz	GLLUPNSFLPUYQP-UONOGXRCSA-N	-1	0	298.427	3.099	20	30		CGEDRM
Cc1c(N=NC[C@H](C)CCC#N)cccc1C(=O)[O-]	ZINC000844622488	635944885	/nfs/dbraw/zinc/94/48/85/635944885.db2.gz	DKLCXUNWIRQDSY-SNVBAGLBSA-N	-1	0	259.309	3.031	20	30		CGEDRM
Cc1c(N=NC2CCC23CCC3)cccc1C(=O)[O-]	ZINC000844622659	635944985	/nfs/dbraw/zinc/94/49/85/635944985.db2.gz	HWPQTVNNTVONAN-UHFFFAOYSA-N	-1	0	258.321	3.425	20	30		CGEDRM
Cc1c(N=NC2C[C@H]3C=C[C@@H]2CC3)cccc1C(=O)[O-]	ZINC000844624026	635945360	/nfs/dbraw/zinc/94/53/60/635945360.db2.gz	SJXBEVNAJVEGBL-NWDGAFQWSA-N	-1	0	270.332	3.447	20	30		CGEDRM
N#CC(C(=O)[C@H]1CC12CC2)=C([O-])c1cc2c(s1)CCCC2	ZINC000845834564	636105572	/nfs/dbraw/zinc/10/55/72/636105572.db2.gz	UUYFMXAZJZQGHL-VXGBXAGGSA-N	-1	0	299.395	3.319	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1Cl	ZINC000846537492	636194831	/nfs/dbraw/zinc/19/48/31/636194831.db2.gz	GWJIRIMNUPVXLR-LLVKDONJSA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000846545269	636197335	/nfs/dbraw/zinc/19/73/35/636197335.db2.gz	VHGGIFBYOQGRMB-SNVBAGLBSA-N	-1	0	283.755	3.120	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	ZINC000846552466	636201101	/nfs/dbraw/zinc/20/11/01/636201101.db2.gz	IKWNIHRRLHYCNL-KCJUWKMLSA-N	-1	0	291.244	3.338	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1Cl	ZINC000846551191	636201127	/nfs/dbraw/zinc/20/11/27/636201127.db2.gz	TYJLJCAFXKBUOF-WDEREUQCSA-N	-1	0	283.755	3.038	20	30		CGEDRM
O=C(/C=C\c1ccsc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000212230830	636312275	/nfs/dbraw/zinc/31/22/75/636312275.db2.gz	FJKIVHWJVXXBJJ-IWQZZHSRSA-N	-1	0	275.285	3.258	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CS1	ZINC000848412671	636570354	/nfs/dbraw/zinc/57/03/54/636570354.db2.gz	YSRHZZUNZOSQBC-QMMMGPOBSA-N	-1	0	282.340	3.207	20	30		CGEDRM
CCCCSCCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055653	636780887	/nfs/dbraw/zinc/78/08/87/636780887.db2.gz	VREQVDUSSNJTKQ-UHFFFAOYSA-N	-1	0	293.454	3.139	20	30		CGEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028538186	636815837	/nfs/dbraw/zinc/81/58/37/636815837.db2.gz	LHNVJDSMOOXLJJ-HNNXBMFYSA-N	-1	0	277.364	3.289	20	30		CGEDRM
O=C(/C=C/c1cccc(F)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136502968	637386535	/nfs/dbraw/zinc/38/65/35/637386535.db2.gz	AULJFWRYKYBHIC-GQCTYLIASA-N	-1	0	287.246	3.336	20	30		CGEDRM
C=C(Cl)CN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000851707735	637468787	/nfs/dbraw/zinc/46/87/87/637468787.db2.gz	JUUIOQXTFZVVST-STQMWFEESA-N	-1	0	265.740	3.029	20	30		CGEDRM
CCSC1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000852999064	637728357	/nfs/dbraw/zinc/72/83/57/637728357.db2.gz	VAPVSYSTPBXTOM-ZSOIEALJSA-N	-1	0	280.349	3.005	20	30		CGEDRM
Oc1ccc(Cl)cc1/C=N\CC[C@H]1CCCO1	ZINC000887272981	637788030	/nfs/dbraw/zinc/78/80/30/637788030.db2.gz	ZMADHSRWIMGCEQ-CDCQXCROSA-N	-1	0	253.729	3.034	20	30		CGEDRM
C=CC[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000853326090	637811344	/nfs/dbraw/zinc/81/13/44/637811344.db2.gz	RIWBHEVQUFMPTQ-LLVKDONJSA-N	-1	0	273.336	3.314	20	30		CGEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])cn2)[C@H]2CCC[C@H]21	ZINC000853326098	637811639	/nfs/dbraw/zinc/81/16/39/637811639.db2.gz	RTPGKLUKRHDVGD-WDEREUQCSA-N	-1	0	273.336	3.004	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000853380799	637829933	/nfs/dbraw/zinc/82/99/33/637829933.db2.gz	YSROHAXYWIFIKQ-VIFPVBQESA-N	-1	0	297.742	3.162	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccccc1)CC2	ZINC000041575027	639906633	/nfs/dbraw/zinc/90/66/33/639906633.db2.gz	ZEGAYHMFLIXONP-XFXZXTDPSA-N	-1	0	282.295	3.499	20	30		CGEDRM
COCCOc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000156600717	639980830	/nfs/dbraw/zinc/98/08/30/639980830.db2.gz	YCASPYABINYWBG-DHZHZOJOSA-N	-1	0	298.338	3.314	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cccc(F)c2)c1	ZINC000158287826	640000437	/nfs/dbraw/zinc/00/04/37/640000437.db2.gz	WHBQGHDMPIRDOL-BQYQJAHWSA-N	-1	0	270.259	3.420	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccs2)n1	ZINC000047358384	640012342	/nfs/dbraw/zinc/01/23/42/640012342.db2.gz	ZONZOBLNALJRRH-ZWNMCFTASA-N	-1	0	274.370	3.403	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000048417799	640052676	/nfs/dbraw/zinc/05/26/76/640052676.db2.gz	ROFAXIQIGOVNGV-MRVPVSSYSA-N	-1	0	275.757	3.031	20	30		CGEDRM
O=C(CCc1cccs1)[N-]S(=O)(=O)c1ccccc1	ZINC000075776974	640153730	/nfs/dbraw/zinc/15/37/30/640153730.db2.gz	SLGUNKMMIZEUOU-UHFFFAOYSA-N	-1	0	295.385	3.026	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC=CCC1	ZINC000077880075	640266555	/nfs/dbraw/zinc/26/65/55/640266555.db2.gz	MHLLBPSCEVBZCF-GXTWGEPZSA-N	-1	0	293.388	3.390	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)s1	ZINC000193369833	640453159	/nfs/dbraw/zinc/45/31/59/640453159.db2.gz	FLGOJTYTZIRXMK-SECBINFHSA-N	-1	0	298.795	3.030	20	30		CGEDRM
O=C1c2ccccc2C/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000194659991	640546615	/nfs/dbraw/zinc/54/66/15/640546615.db2.gz	BUWTVNGTLSLABX-GHXNOFRVSA-N	-1	0	281.267	3.123	20	30		CGEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1	ZINC000119933400	641044971	/nfs/dbraw/zinc/04/49/71/641044971.db2.gz	RTFJOYQSDSSFKM-INIZCTEOSA-N	-1	0	298.386	3.020	20	30		CGEDRM
Cc1cc(Nc2ccc(O)cc2C#N)ccc1C(=O)[O-]	ZINC001211660875	814928203	/nfs/dbraw/zinc/92/82/03/814928203.db2.gz	QCDLUCZWQKCQNQ-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
C=C[C@@](C)(O)CNc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001252566188	806070414	/nfs/dbraw/zinc/07/04/14/806070414.db2.gz	BHYAWNXNIQURKF-WMLDXEAASA-N	-1	0	291.391	3.250	20	30		CGEDRM
C=CCC[C@H](O)CNc1cc(Cl)ccc1[S-]	ZINC001252606039	806084639	/nfs/dbraw/zinc/08/46/39/806084639.db2.gz	VHRYNVWNYBJCKU-JTQLQIEISA-N	-1	0	257.786	3.368	20	30		CGEDRM
Cc1oncc1CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001162275146	806547192	/nfs/dbraw/zinc/54/71/92/806547192.db2.gz	ZZNFKBILEOHQHT-BLLMUTORSA-N	-1	0	299.252	3.422	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccccc1C	ZINC000125573175	799002359	/nfs/dbraw/zinc/00/23/59/799002359.db2.gz	YRLDZWNHJOKHNP-HNNXBMFYSA-N	-1	0	286.375	3.014	20	30		CGEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccs1	ZINC000176395594	799095113	/nfs/dbraw/zinc/09/51/13/799095113.db2.gz	MLLLZMMXRHAZFI-VIFPVBQESA-N	-1	0	272.329	3.068	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1cccc(C)c1Cl)C(=O)[O-]	ZINC000316441712	799241268	/nfs/dbraw/zinc/24/12/68/799241268.db2.gz	KNAFOPXVNOFJIV-LLVKDONJSA-N	-1	0	296.754	3.189	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC000397026448	799513339	/nfs/dbraw/zinc/51/33/39/799513339.db2.gz	NDXWMJYALGWSLC-CHWSQXEVSA-N	-1	0	269.385	3.059	20	30		CGEDRM
COCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000588595770	799718860	/nfs/dbraw/zinc/71/88/60/799718860.db2.gz	IFVXXUKVNCMYOP-UHFFFAOYSA-N	-1	0	286.287	3.197	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1F	ZINC000588618940	799722356	/nfs/dbraw/zinc/72/23/56/799722356.db2.gz	ARDRSBJXYMTLRG-YVMONPNESA-N	-1	0	288.274	3.142	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000710539520	800035756	/nfs/dbraw/zinc/03/57/56/800035756.db2.gz	USTPFONFIQGAHP-UONOGXRCSA-N	-1	0	283.412	3.306	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(C(=O)[O-])cc2)c1	ZINC000718565202	800217172	/nfs/dbraw/zinc/21/71/72/800217172.db2.gz	HEBSFFNZHMBDOZ-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
C#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC001256316736	806858768	/nfs/dbraw/zinc/85/87/68/806858768.db2.gz	PYSVESFHZZZJGF-UHFFFAOYSA-N	-1	0	291.759	3.122	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1ccc(Br)c(O)c1	ZINC001116888514	802425363	/nfs/dbraw/zinc/42/53/63/802425363.db2.gz	HNVJAVGKTZPEOG-UHFFFAOYSA-N	-1	0	296.164	3.143	20	30		CGEDRM
CC(C)(C)ON=C1CCCc2cc(C(=O)[O-])ccc21	ZINC001117742790	802484543	/nfs/dbraw/zinc/48/45/43/802484543.db2.gz	WFFRIXDNEURDCF-UHFFFAOYSA-N	-1	0	261.321	3.240	20	30		CGEDRM
Cc1oc(Nc2ccc(C(=O)[O-])s2)c(C#N)c1C	ZINC001174804956	809166746	/nfs/dbraw/zinc/16/67/46/809166746.db2.gz	HOILWLSZVGYESA-UHFFFAOYSA-N	-1	0	262.290	3.271	20	30		CGEDRM
Cc1oc(C)c(C([O-])=C(C#N)c2cccc(F)n2)c1C	ZINC001122631673	802877647	/nfs/dbraw/zinc/87/76/47/802877647.db2.gz	IEGXQIKVMWFNIR-LLVKDONJSA-N	-1	0	272.279	3.229	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc(F)c([O-])c(F)c3)ccc12	ZINC001244094299	803182948	/nfs/dbraw/zinc/18/29/48/803182948.db2.gz	NDTSUDVQKOCIJI-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
Cc1nc(-c2ccc(CCC(=O)[O-])cc2)ccc1CC#N	ZINC001244189017	803234263	/nfs/dbraw/zinc/23/42/63/803234263.db2.gz	DSJHLJZECIRKJH-UHFFFAOYSA-N	-1	0	280.327	3.140	20	30		CGEDRM
N#CCc1cccc(-c2cc(F)c([O-])c(Cl)c2)n1	ZINC001244499673	803405271	/nfs/dbraw/zinc/40/52/71/803405271.db2.gz	BTFXGHKXLKUDQP-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1c(F)cncc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244502249	803408427	/nfs/dbraw/zinc/40/84/27/803408427.db2.gz	KICOEHOSCKJPKU-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1nc(-c2cc(C(=O)[O-])c(Cl)cc2F)ccc1C#N	ZINC001244609428	803463409	/nfs/dbraw/zinc/46/34/09/803463409.db2.gz	AXTMVFQHGFMQHS-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1cc(-c2nccc(F)c2C#N)cc(C)c1C(=O)[O-]	ZINC001244945524	803585803	/nfs/dbraw/zinc/58/58/03/803585803.db2.gz	VLJPVTVBTTWCEY-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cc2cc[nH]c2nc1C#N	ZINC001245299342	803694909	/nfs/dbraw/zinc/69/49/09/803694909.db2.gz	HURCCRLZKLDHCI-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(CC(=O)[O-])ccc2F)nc1C	ZINC001245316363	803698568	/nfs/dbraw/zinc/69/85/68/803698568.db2.gz	HFEUEHZLYWIBDC-UHFFFAOYSA-N	-1	0	284.290	3.003	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])cc3Cl)cnc12	ZINC001245373792	803718846	/nfs/dbraw/zinc/71/88/46/803718846.db2.gz	MMWPPWQITXDVSZ-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
Cc1cnc(-c2cc(Cl)c([O-])cc2F)c(C#N)c1	ZINC001245668741	803898518	/nfs/dbraw/zinc/89/85/18/803898518.db2.gz	XVWXYEBZRJEZBM-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCc1cncc(-c2cc(Cl)c([O-])cc2F)c1	ZINC001245671887	803900960	/nfs/dbraw/zinc/90/09/60/803900960.db2.gz	LCDBOGCAXAJEBE-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1ncc(-c2c(F)ccc([O-])c2Cl)cc1F	ZINC001245831796	803986483	/nfs/dbraw/zinc/98/64/83/803986483.db2.gz	FJAYDWLKDOHNPM-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
C=CCn1[n-]c(-c2cccc(Br)c2)cc1=O	ZINC001245929227	804058804	/nfs/dbraw/zinc/05/88/04/804058804.db2.gz	RQBKZXLAUGOSEQ-UHFFFAOYSA-N	-1	0	279.137	3.204	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3c(F)cccc3F)[n-]2)cc1	ZINC001245932612	804062020	/nfs/dbraw/zinc/06/20/20/804062020.db2.gz	IYDZBJSQOKDTHQ-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
Cc1cccc(-n2[n-]c(-c3cccc(C#N)c3)cc2=O)c1	ZINC001245937287	804066885	/nfs/dbraw/zinc/06/68/85/804066885.db2.gz	LGXKBLQYSOYYQI-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
C[C@@H]1CCC[C@@H]1n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245936719	804067246	/nfs/dbraw/zinc/06/72/46/804067246.db2.gz	FBVBFUVXFGZIMY-ABAIWWIYSA-N	-1	0	267.332	3.488	20	30		CGEDRM
C[C@H](n1[n-]c(-c2cccc(C#N)c2)cc1=O)C(F)(F)F	ZINC001245937699	804069489	/nfs/dbraw/zinc/06/94/89/804069489.db2.gz	UBTUUYQSGILHIT-QMMMGPOBSA-N	-1	0	281.237	3.251	20	30		CGEDRM
C#CCCc1cc(=O)n([C@H](C)c2ccc(Cl)cc2)[n-]1	ZINC001245952324	804088531	/nfs/dbraw/zinc/08/85/31/804088531.db2.gz	XDCTUIJGPDARJD-LLVKDONJSA-N	-1	0	274.751	3.417	20	30		CGEDRM
N#C[C@@H]1CCCN1Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140829736	804529728	/nfs/dbraw/zinc/52/97/28/804529728.db2.gz	LVSXNTCRQSMEOI-VIFPVBQESA-N	-1	0	271.147	3.187	20	30		CGEDRM
C[C@@H](C#N)N(C)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140836330	804532225	/nfs/dbraw/zinc/53/22/25/804532225.db2.gz	WIBLKKHNSSAKJB-ZETCQYMHSA-N	-1	0	259.136	3.043	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248548593	804948918	/nfs/dbraw/zinc/94/89/18/804948918.db2.gz	FQSKIMZUFMHBKP-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248556864	804951813	/nfs/dbraw/zinc/95/18/13/804951813.db2.gz	CNFFYVGABTUEPQ-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212513515	815045326	/nfs/dbraw/zinc/04/53/26/815045326.db2.gz	UTUPRZUVLRHECT-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C=CCN(C(=O)c1ccc(Cl)c([O-])c1)C(C)C	ZINC001144558321	805003004	/nfs/dbraw/zinc/00/30/04/805003004.db2.gz	PPDJATYVYCZTSJ-UHFFFAOYSA-N	-1	0	253.729	3.082	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1F	ZINC001212514163	815045746	/nfs/dbraw/zinc/04/57/46/815045746.db2.gz	FVJYIQUGZVAUSY-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212514941	815045869	/nfs/dbraw/zinc/04/58/69/815045869.db2.gz	NERXAWGRWHXHIK-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CCC[C@H](C#N)C1	ZINC001249697111	805217410	/nfs/dbraw/zinc/21/74/10/805217410.db2.gz	RHIKHVGOGVKKNB-LLVKDONJSA-N	-1	0	291.445	3.341	20	30		CGEDRM
N#CCCCc1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC001250059308	805395002	/nfs/dbraw/zinc/39/50/02/805395002.db2.gz	ADXAUHTXAUQNRS-UHFFFAOYSA-N	-1	0	257.211	3.250	20	30		CGEDRM
N#Cc1cccnc1Nc1c(F)ccc([O-])c1Cl	ZINC001250228118	805505328	/nfs/dbraw/zinc/50/53/28/805505328.db2.gz	MDCPPUTYFSZYBA-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc3cc[nH]c3c2F)ccc1O	ZINC001154947561	805511112	/nfs/dbraw/zinc/51/11/12/805511112.db2.gz	LTMNVXGNKGITRC-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2csc(C#N)c2)cc1C	ZINC001259163621	807675017	/nfs/dbraw/zinc/67/50/17/807675017.db2.gz	PLHKGETXLNOFFZ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cs2)c1	ZINC001259118440	807675102	/nfs/dbraw/zinc/67/51/02/807675102.db2.gz	HKCQQDXTOOGYJX-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1cc(C)cc(S(=O)(=O)[N-]c2csc(C#N)c2)c1	ZINC001259517382	807679649	/nfs/dbraw/zinc/67/96/49/807679649.db2.gz	AFRFWFQPZDFWLK-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1csc([N-]S(=O)(=O)CC2CCCCC2)c1C#N	ZINC001259613217	807681693	/nfs/dbraw/zinc/68/16/93/807681693.db2.gz	YXQQWUXLLIIWTQ-UHFFFAOYSA-N	-1	0	298.433	3.250	20	30		CGEDRM
Cc1ccc(C#N)c([N-]S(=O)(=O)CC2CCCCC2)c1	ZINC001259613287	807681985	/nfs/dbraw/zinc/68/19/85/807681985.db2.gz	GKVDQXSRLXXNJI-UHFFFAOYSA-N	-1	0	292.404	3.189	20	30		CGEDRM
CC(C)CS(=O)(=O)[N-]c1sc2ccccc2c1C#N	ZINC001259879477	807690602	/nfs/dbraw/zinc/69/06/02/807690602.db2.gz	PDVYBYWOUXQIIO-UHFFFAOYSA-N	-1	0	294.401	3.171	20	30		CGEDRM
Cc1csc([N-]S(=O)(=O)c2sccc2C)c1C#N	ZINC001260061824	807694799	/nfs/dbraw/zinc/69/47/99/807694799.db2.gz	VANHQWOWGVFKTA-UHFFFAOYSA-N	-1	0	298.414	3.099	20	30		CGEDRM
CCCCCCC[C@H](CC)N[C@@H]1SC(=O)[N-]C1=O	ZINC001172347038	808245986	/nfs/dbraw/zinc/24/59/86/808245986.db2.gz	PNCPCHXBHXIXLV-CMPLNLGQSA-N	-1	0	272.414	3.024	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)c(F)c1	ZINC001173867776	808725345	/nfs/dbraw/zinc/72/53/45/808725345.db2.gz	OLVXXJVZOGHVSK-UHFFFAOYSA-N	-1	0	252.245	3.347	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496364	809043583	/nfs/dbraw/zinc/04/35/83/809043583.db2.gz	IHRUXGGKPFOHER-AATRIKPKSA-N	-1	0	279.299	3.103	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(OC)c2)c1	ZINC001174686064	809131301	/nfs/dbraw/zinc/13/13/01/809131301.db2.gz	JJTAHFNSAGUONX-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174807716	809167263	/nfs/dbraw/zinc/16/72/63/809167263.db2.gz	MPFPKKDMDGGLMV-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(F)c1F	ZINC001174952926	809213341	/nfs/dbraw/zinc/21/33/41/809213341.db2.gz	FTQDOMXETXSHAL-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223197	809315564	/nfs/dbraw/zinc/31/55/64/809315564.db2.gz	GPDVGXJXNBALNM-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CC(C)(C)c1noc(Nc2cccc(C(=O)[O-])c2)c1C#N	ZINC001175327592	809355501	/nfs/dbraw/zinc/35/55/01/809355501.db2.gz	PMALCHMGRJMVIF-UHFFFAOYSA-N	-1	0	285.303	3.286	20	30		CGEDRM
COc1cc(C#N)c(F)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175330617	809359144	/nfs/dbraw/zinc/35/91/44/809359144.db2.gz	HOSBIFRXEJXEDU-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(F)c(Nc2scc([O-])c2C#N)c(F)c1	ZINC001175721590	809519632	/nfs/dbraw/zinc/51/96/32/809519632.db2.gz	PPQFLSVWMUSHJL-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
C[C@H](C#N)c1ccc(Nc2cncc(C(=O)[O-])c2)cc1	ZINC001175841651	809553073	/nfs/dbraw/zinc/55/30/73/809553073.db2.gz	PROYXEFIJFKCJE-SNVBAGLBSA-N	-1	0	267.288	3.150	20	30		CGEDRM
Cc1cncc(Nc2cc(C#N)c(F)cc2[O-])c1C	ZINC001213534282	815303241	/nfs/dbraw/zinc/30/32/41/815303241.db2.gz	VHNZZPCIFYITIY-UHFFFAOYSA-N	-1	0	257.268	3.158	20	30		CGEDRM
Cc1ccc2ccc(F)c([N-]c3oncc3C#N)c2n1	ZINC001176114034	809625479	/nfs/dbraw/zinc/62/54/79/809625479.db2.gz	JKQAHAOPXAXXLF-UHFFFAOYSA-N	-1	0	268.251	3.286	20	30		CGEDRM
COc1cc(Nc2cc(C#N)ccc2C)cc(C(=O)[O-])c1	ZINC001213592888	815308055	/nfs/dbraw/zinc/30/80/55/815308055.db2.gz	QYCUEUDDXZILGI-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1csc(C(=O)[O-])c1	ZINC001176440021	809698616	/nfs/dbraw/zinc/69/86/16/809698616.db2.gz	CRIQSOYPMLSAJE-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1csc(C(=O)[O-])c1	ZINC001176440274	809698700	/nfs/dbraw/zinc/69/87/00/809698700.db2.gz	GCGGOPUSKWBETK-UHFFFAOYSA-N	-1	0	273.317	3.103	20	30		CGEDRM
N#Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1O	ZINC001176595203	809726051	/nfs/dbraw/zinc/72/60/51/809726051.db2.gz	DTUFJRKECLWLGF-FPYGCLRLSA-N	-1	0	280.283	3.105	20	30		CGEDRM
COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1C#N	ZINC001176595087	809726393	/nfs/dbraw/zinc/72/63/93/809726393.db2.gz	CGALRCPYZYTIPY-RUDMXATFSA-N	-1	0	294.310	3.408	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213631708	815314215	/nfs/dbraw/zinc/31/42/15/815314215.db2.gz	APLDESGQOCWGEE-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
N#Cc1cnoc1[N-]c1c(Cl)ccc(F)c1F	ZINC001213945855	815348965	/nfs/dbraw/zinc/34/89/65/815348965.db2.gz	VZYOSDNHAAYYIJ-UHFFFAOYSA-N	-1	0	255.611	3.221	20	30		CGEDRM
COc1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1[S-]	ZINC001184757177	810217779	/nfs/dbraw/zinc/21/77/79/810217779.db2.gz	ZXMLESZPVPTLLU-UHFFFAOYSA-N	-1	0	299.355	3.500	20	30		CGEDRM
N#Cc1cccc2c([N-]S(=O)(=O)c3ccco3)cccc12	ZINC001186855729	810365773	/nfs/dbraw/zinc/36/57/73/810365773.db2.gz	BUOOIUCJZOJUMP-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cc(F)ccc2OCC)CC1	ZINC001190805638	810649999	/nfs/dbraw/zinc/64/99/99/810649999.db2.gz	QLZPVGSFSJNOQT-UHFFFAOYSA-N	-1	0	299.367	3.075	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cccc(F)c2OCC)CC1	ZINC001190815864	810651147	/nfs/dbraw/zinc/65/11/47/810651147.db2.gz	ZSHPCWXVIGUDNR-UHFFFAOYSA-N	-1	0	299.367	3.075	20	30		CGEDRM
Cc1sc([N-]S(=O)(=O)CC2CCCC2)c(C#N)c1C	ZINC001191490522	810719900	/nfs/dbraw/zinc/71/99/00/810719900.db2.gz	VAVGXAKXKQOLRX-UHFFFAOYSA-N	-1	0	298.433	3.169	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)c1ccc(F)c(F)c1[O-]	ZINC001192817030	810822326	/nfs/dbraw/zinc/82/23/26/810822326.db2.gz	BRZSBJGMQNNCSN-UHFFFAOYSA-N	-1	0	281.233	3.097	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2nc3ccccc3s2)ccc1[O-]	ZINC001193494865	810896560	/nfs/dbraw/zinc/89/65/60/810896560.db2.gz	QIMYUTVTCONWQD-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
CCCCCCOC(=O)N=c1s[n-]c(C)c1C#N	ZINC001194151657	811022256	/nfs/dbraw/zinc/02/22/56/811022256.db2.gz	YWXBYGXDTBFPKZ-UHFFFAOYSA-N	-1	0	267.354	3.452	20	30		CGEDRM
CC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2[O-])c1C	ZINC001195758389	811287906	/nfs/dbraw/zinc/28/79/06/811287906.db2.gz	OEJKPFUZYQQWIB-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
CC(=O)c1cc(Nc2cc(C#N)c(F)cc2[O-])cs1	ZINC001214786987	815452099	/nfs/dbraw/zinc/45/20/99/815452099.db2.gz	GAOAMLSPRLDSBL-UHFFFAOYSA-N	-1	0	276.292	3.411	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC001199828757	811600761	/nfs/dbraw/zinc/60/07/61/811600761.db2.gz	RNODXARMLDDPFH-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
CCOc1ncc(Nc2cc(C#N)c(F)cc2[O-])cc1C	ZINC001214935185	815465074	/nfs/dbraw/zinc/46/50/74/815465074.db2.gz	NJKBOGUOBLZLLE-UHFFFAOYSA-N	-1	0	287.294	3.249	20	30		CGEDRM
N#Cc1oc2ccccc2c1Nc1cc(C(=O)[O-])cnc1F	ZINC001215122632	815485967	/nfs/dbraw/zinc/48/59/67/815485967.db2.gz	LBOFMGNSLGWIEU-UHFFFAOYSA-N	-1	0	297.245	3.280	20	30		CGEDRM
N#Cc1cc(NC(=O)Nc2ccccc2F)c([O-])cc1F	ZINC001202001510	811994585	/nfs/dbraw/zinc/99/45/85/811994585.db2.gz	DEJJQKWLIWUCAB-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215281303	815502389	/nfs/dbraw/zinc/50/23/89/815502389.db2.gz	QDXYCGACIZUHRO-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccsc1C(=O)[O-]	ZINC001215392195	815514818	/nfs/dbraw/zinc/51/48/18/815514818.db2.gz	XNLQONQCZQOAOO-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])cc1F	ZINC001215394086	815515573	/nfs/dbraw/zinc/51/55/73/815515573.db2.gz	JUYAAIKGWYJDRV-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccsc1C(=O)[O-]	ZINC001215394009	815515839	/nfs/dbraw/zinc/51/58/39/815515839.db2.gz	GBYJKJLXHYFFCB-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccsc2C(=O)[O-])c1	ZINC001215397641	815516321	/nfs/dbraw/zinc/51/63/21/815516321.db2.gz	JMHKWVKHCLYIFS-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])cc2F)cs1	ZINC001203288131	812294139	/nfs/dbraw/zinc/29/41/39/812294139.db2.gz	ORLVCLZYZDKKEI-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203299747	812301914	/nfs/dbraw/zinc/30/19/14/812301914.db2.gz	WPFUJENXUAGGFS-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CCOC(=O)c1cnoc1[N-]c1c(C)cc(C#N)cc1C	ZINC001215645602	815550589	/nfs/dbraw/zinc/55/05/89/815550589.db2.gz	ROUSFBSJKLNJFN-UHFFFAOYSA-N	-1	0	285.303	3.083	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205089642	812857297	/nfs/dbraw/zinc/85/72/97/812857297.db2.gz	UGBDUQJYCPHABC-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccsc1C(=O)[O-]	ZINC001205614720	813025199	/nfs/dbraw/zinc/02/51/99/813025199.db2.gz	OZLBQAJDPJQULO-UHFFFAOYSA-N	-1	0	277.276	3.133	20	30		CGEDRM
COc1cccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1C#N	ZINC001206038679	813177586	/nfs/dbraw/zinc/17/75/86/813177586.db2.gz	MFIRACYRDTZZPB-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1cc(SC)c(Nc2scc([O-])c2C#N)cn1	ZINC001215811171	815603035	/nfs/dbraw/zinc/60/30/35/815603035.db2.gz	UARAASABNOGTGF-UHFFFAOYSA-N	-1	0	293.373	3.194	20	30		CGEDRM
CO/N=C/c1cc(-c2csc(C(=O)[O-])c2)ccc1F	ZINC001206303244	813279144	/nfs/dbraw/zinc/27/91/44/813279144.db2.gz	HUQRUSZVOFXAIO-GIDUJCDVSA-N	-1	0	279.292	3.233	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209889531	814189786	/nfs/dbraw/zinc/18/97/86/814189786.db2.gz	OPSQEFDSGNSSTH-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(Nc2cccc(C(=O)[O-])c2F)cs1	ZINC001210239879	814359240	/nfs/dbraw/zinc/35/92/40/814359240.db2.gz	HYSDKIGBSVWEHA-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210240649	814360130	/nfs/dbraw/zinc/36/01/30/814360130.db2.gz	YBPCSOZFSGRISN-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(CC#N)cc1	ZINC001210257926	814369291	/nfs/dbraw/zinc/36/92/91/814369291.db2.gz	IFUBVJXPBACQAT-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
C[C@@H](O)c1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001210511085	814500632	/nfs/dbraw/zinc/50/06/32/814500632.db2.gz	JLRJQWNBHPDEIX-SECBINFHSA-N	-1	0	272.279	3.200	20	30		CGEDRM
N#Cc1cc(Cl)cc(Nc2ncc(F)cc2[O-])c1	ZINC001210537252	814513637	/nfs/dbraw/zinc/51/36/37/814513637.db2.gz	STZSPVXYUHSIGN-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1csc(Nc2ccccc2C(=O)[O-])c1C#N	ZINC001210963703	814692780	/nfs/dbraw/zinc/69/27/80/814692780.db2.gz	OKXYCFVMXMZZKS-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1ccc(Nc2ccccc2C(=O)[O-])c(C#N)c1	ZINC001210967607	814695565	/nfs/dbraw/zinc/69/55/65/814695565.db2.gz	MJGOYJPXBVKRLG-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
CSc1cncc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001211072815	814732114	/nfs/dbraw/zinc/73/21/14/814732114.db2.gz	PLIUTKSBVPTKBY-UHFFFAOYSA-N	-1	0	275.308	3.263	20	30		CGEDRM
COc1cc(C)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001211118314	814752292	/nfs/dbraw/zinc/75/22/92/814752292.db2.gz	KGKZKOKFPGJZPH-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2O)cc(C(=O)[O-])c1	ZINC001211547067	814905861	/nfs/dbraw/zinc/90/58/61/814905861.db2.gz	CUWHRFZTHWKDHY-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1cc(Nc2cnccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216307933	815774447	/nfs/dbraw/zinc/77/44/47/815774447.db2.gz	NVGBQBVWCOXQMC-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1ncc(-c2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC001242852337	823152510	/nfs/dbraw/zinc/15/25/10/823152510.db2.gz	GGOHAXFIDGGUDU-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
N#CC1(c2ccc(-c3ccccc3C(=O)[O-])nc2)CCC1	ZINC001242876909	823161613	/nfs/dbraw/zinc/16/16/13/823161613.db2.gz	MKAAGPDIMVWMSD-UHFFFAOYSA-N	-1	0	278.311	3.392	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216681758	815892480	/nfs/dbraw/zinc/89/24/80/815892480.db2.gz	LNFAXZXOZXGODB-UHFFFAOYSA-N	-1	0	299.305	3.110	20	30		CGEDRM
Cc1ccc(F)c(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c1	ZINC001216969569	815904393	/nfs/dbraw/zinc/90/43/93/815904393.db2.gz	GRIXCMVRTMZSGC-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
CN(C)/C=N/c1ccc(-c2ccccc2C(=O)[O-])cc1C#N	ZINC001242880107	823163075	/nfs/dbraw/zinc/16/30/75/823163075.db2.gz	SWJFBALNVMMZQF-YBFXNURJSA-N	-1	0	293.326	3.145	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccccc2C(=O)[O-])c1	ZINC001242880988	823163671	/nfs/dbraw/zinc/16/36/71/823163671.db2.gz	BTYIZKPWMIMAEQ-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2OC)cc1CC#N	ZINC001242923023	823173136	/nfs/dbraw/zinc/17/31/36/823173136.db2.gz	RVJAKBWAIJSQCK-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
C=C(C)C[C@@H](OCc1ccc(S(=O)(=O)[O-])cc1)C(=C)C	ZINC001223746272	816674453	/nfs/dbraw/zinc/67/44/53/816674453.db2.gz	OEFJGGXXIBOGEN-OAHLLOKOSA-N	-1	0	296.388	3.361	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCC[C@@H]2C)c1	ZINC001223889153	816697149	/nfs/dbraw/zinc/69/71/49/816697149.db2.gz	ZRJMUHIBAVBMMZ-BAQFUKFFSA-N	-1	0	279.336	3.045	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H](C)C2CCCC2)c1	ZINC001223890990	816699118	/nfs/dbraw/zinc/69/91/18/816699118.db2.gz	AWOHRGTVKFEGPK-WHBPPDGWSA-N	-1	0	293.363	3.435	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225514945	817081537	/nfs/dbraw/zinc/08/15/37/817081537.db2.gz	QOMRUPZUOISBAT-NSHDSACASA-N	-1	0	270.350	3.057	20	30		CGEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)c(F)cc2C#N)cc1	ZINC001226008873	817247306	/nfs/dbraw/zinc/24/73/06/817247306.db2.gz	NFDCVOXGDPYLTK-SNVBAGLBSA-N	-1	0	272.279	3.246	20	30		CGEDRM
CCCC/C=C/[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009053	817247864	/nfs/dbraw/zinc/24/78/64/817247864.db2.gz	QYHDXFBIIGWYLE-FGEFZZPRSA-N	-1	0	264.300	3.312	20	30		CGEDRM
CCCC(CCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008987	817248266	/nfs/dbraw/zinc/24/82/66/817248266.db2.gz	PGRBCWWYGSNGBC-UHFFFAOYSA-N	-1	0	252.289	3.146	20	30		CGEDRM
COc1ccc([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226221199	817301688	/nfs/dbraw/zinc/30/16/88/817301688.db2.gz	IQJGOKNLPVXUEX-LLVKDONJSA-N	-1	0	284.315	3.116	20	30		CGEDRM
Cc1ccc2c(c1)[C@H](Oc1[n-]c(=O)cc(C)c1C#N)CC2	ZINC001226221979	817302071	/nfs/dbraw/zinc/30/20/71/817302071.db2.gz	QSAWRGYKOGBXHS-OAHLLOKOSA-N	-1	0	280.327	3.342	20	30		CGEDRM
CC(C)[C@@H](Oc1nccc(/C=N/O)n1)c1ccccc1	ZINC001226256047	817313024	/nfs/dbraw/zinc/31/30/24/817313024.db2.gz	OCHHSQUTIVYQAV-NGWPFTMJSA-N	-1	0	271.320	3.061	20	30		CGEDRM
C=CC[C@@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)C(C)C	ZINC001226346865	817332796	/nfs/dbraw/zinc/33/27/96/817332796.db2.gz	MGFXPXPEPNIEMK-MRVPVSSYSA-N	-1	0	276.258	3.181	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1nc[n-]c(=O)c1Br	ZINC001226721647	817445597	/nfs/dbraw/zinc/44/55/97/817445597.db2.gz	LEBYHPSVFXYLKA-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2nc(C)ccc2CC#N)c1	ZINC001243177454	823274783	/nfs/dbraw/zinc/27/47/83/823274783.db2.gz	INOSFBQGJPPDOL-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227709854	817699521	/nfs/dbraw/zinc/69/95/21/817699521.db2.gz	HGUMPMMOBDIDDY-GHMZBOCLSA-N	-1	0	278.352	3.287	20	30		CGEDRM
Cc1ccc(-c2cc(C#N)cc(C#N)c2)cc1C(=O)[O-]	ZINC001243196590	823285961	/nfs/dbraw/zinc/28/59/61/823285961.db2.gz	BOVCPWNFVDKROL-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
CCCCN(CC#N)Cc1cccc(Cl)c1[O-]	ZINC001231912552	818211403	/nfs/dbraw/zinc/21/14/03/818211403.db2.gz	NCCMGSGAUZMMSM-UHFFFAOYSA-N	-1	0	252.745	3.171	20	30		CGEDRM
CC/C=C(\C)[C@H](CC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919461	818730256	/nfs/dbraw/zinc/73/02/56/818730256.db2.gz	RZPULNJBKZNALN-RSPDNQDQSA-N	-1	0	260.337	3.481	20	30		CGEDRM
C=CCC[C@H](CC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234519691	818871616	/nfs/dbraw/zinc/87/16/16/818871616.db2.gz	LGZLBPIGDBEEKT-LBPRGKRZSA-N	-1	0	283.331	3.331	20	30		CGEDRM
CC[C@H](C)[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529832	818875762	/nfs/dbraw/zinc/87/57/62/818875762.db2.gz	GOLNUVDFHOMFOH-VHSXEESVSA-N	-1	0	271.320	3.020	20	30		CGEDRM
CC(C)C(Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)C	ZINC001234531329	818875803	/nfs/dbraw/zinc/87/58/03/818875803.db2.gz	YOHQICYLRSAPNO-UHFFFAOYSA-N	-1	0	285.347	3.266	20	30		CGEDRM
N#C[C@@H](Oc1ccccc1C=N[O-])c1cccc(F)c1	ZINC001234818730	818926169	/nfs/dbraw/zinc/92/61/69/818926169.db2.gz	DBVUOXXAVQTVOZ-OAHLLOKOSA-N	-1	0	270.263	3.277	20	30		CGEDRM
O=C([O-])/C=C/c1ccc(-c2ccc(/C=N/O)c(F)c2)cc1	ZINC001235623885	819127818	/nfs/dbraw/zinc/12/78/18/819127818.db2.gz	WXXJOWOYVKESRG-ALZJMAQFSA-N	-1	0	285.274	3.399	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])cc1	ZINC001236060687	819293633	/nfs/dbraw/zinc/29/36/33/819293633.db2.gz	NSOBCSCHWFDGSP-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(C(=O)[O-])cc1	ZINC001236060700	819293639	/nfs/dbraw/zinc/29/36/39/819293639.db2.gz	OHDNFFARFZTAFT-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(S(=O)(=O)[O-])c3)cc2)CC1	ZINC001243421944	823400410	/nfs/dbraw/zinc/40/04/10/823400410.db2.gz	CSMCIFHIRUJWHV-UHFFFAOYSA-N	-1	0	299.351	3.155	20	30		CGEDRM
N#CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237798756	819845868	/nfs/dbraw/zinc/84/58/68/819845868.db2.gz	MWEMHRJRCISIAQ-SNVBAGLBSA-N	-1	0	282.746	3.310	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2cccc([O-])c2F)n1	ZINC001243542636	823436411	/nfs/dbraw/zinc/43/64/11/823436411.db2.gz	LKOPSQGECBTNRO-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CCN(Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-]	ZINC001238236139	819966758	/nfs/dbraw/zinc/96/67/58/819966758.db2.gz	QGWOARIYJYVNGU-UHFFFAOYSA-N	-1	0	298.317	3.050	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2F)cc(F)c1C#N	ZINC001239274659	820250265	/nfs/dbraw/zinc/25/02/65/820250265.db2.gz	COFADWWKJHBJAQ-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1cc(C#N)cnc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243609094	823466368	/nfs/dbraw/zinc/46/63/68/823466368.db2.gz	MUXIRUXHKCREOM-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240548702	821135449	/nfs/dbraw/zinc/13/54/49/821135449.db2.gz	WPHGHBQQPSGNKC-VOTSOKGWSA-N	-1	0	278.311	3.335	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2OC)c(CC#N)c1	ZINC001240737833	821289875	/nfs/dbraw/zinc/28/98/75/821289875.db2.gz	OTCKJWMHIFEYEI-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(C(=O)[O-])s1	ZINC001240847201	821367602	/nfs/dbraw/zinc/36/76/02/821367602.db2.gz	OZGQZCRSNODWDF-UHFFFAOYSA-N	-1	0	259.286	3.016	20	30		CGEDRM
CC(C)c1ccc(C#N)c(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240971768	821456286	/nfs/dbraw/zinc/45/62/86/821456286.db2.gz	HZQZNPHICJHLLA-UHFFFAOYSA-N	-1	0	280.327	3.371	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)c(C)n1	ZINC001241000642	821478626	/nfs/dbraw/zinc/47/86/26/821478626.db2.gz	GYEYLLJRHJMOHX-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3c(F)ccc([O-])c3F)c12	ZINC001241289313	821706568	/nfs/dbraw/zinc/70/65/68/821706568.db2.gz	PEDPOCRENXQHOC-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2c(F)ccc(O)c2F)c1	ZINC001241294104	821712319	/nfs/dbraw/zinc/71/23/19/821712319.db2.gz	VEPKNMMMOIRIBG-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)nc(C2CC2)n1	ZINC001241348524	821751866	/nfs/dbraw/zinc/75/18/66/821751866.db2.gz	XOPPXIVVSBWPJI-UHFFFAOYSA-N	-1	0	299.717	3.244	20	30		CGEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2)ncc1C(F)(F)F	ZINC001241358064	821758771	/nfs/dbraw/zinc/75/87/71/821758771.db2.gz	HYBMUZAOLOYERC-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cnc2[nH]cc(C#N)c2c1	ZINC001242210661	822911079	/nfs/dbraw/zinc/91/10/79/822911079.db2.gz	JWTSCLPHMZVYSU-UHFFFAOYSA-N	-1	0	295.273	3.247	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cccc(/C=N/O)c1	ZINC001242210006	822911129	/nfs/dbraw/zinc/91/11/29/822911129.db2.gz	BXXPTNDVJGERMI-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
C[C@@H](C#N)c1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242337114	822954602	/nfs/dbraw/zinc/95/46/02/822954602.db2.gz	ZJXSPEYSKBQDIC-JTQLQIEISA-N	-1	0	252.273	3.074	20	30		CGEDRM
N#CC1(c2ccnc(-c3cccc(F)c3[O-])c2)CC1	ZINC001242350502	822961511	/nfs/dbraw/zinc/96/15/11/822961511.db2.gz	GAKPBJZPVSYQAU-UHFFFAOYSA-N	-1	0	254.264	3.148	20	30		CGEDRM
N#CCc1cccc(-c2cccc(C(=O)[O-])c2F)c1F	ZINC001242379016	822973874	/nfs/dbraw/zinc/97/38/74/822973874.db2.gz	CTSLIIAJXHWJJU-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1cccc(C(=O)[O-])c1F	ZINC001242380577	822974994	/nfs/dbraw/zinc/97/49/94/822974994.db2.gz	OOYMQUDCSIBZJK-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(OC)c1	ZINC001242390825	822979412	/nfs/dbraw/zinc/97/94/12/822979412.db2.gz	JLOVESAXQXYFEZ-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
N#Cc1cc(F)ccc1-c1nc[n-]c2nc(=S)sc1-2	ZINC001242580720	823042150	/nfs/dbraw/zinc/04/21/50/823042150.db2.gz	LJVVGPZXUGGUBE-UHFFFAOYSA-N	-1	0	288.332	3.378	20	30		CGEDRM
CC(C)c1ncc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001342560005	936470098	/nfs/dbraw/zinc/47/00/98/936470098.db2.gz	XVUFTIFXWKIMGV-VIFPVBQESA-N	-1	0	289.335	3.291	20	30		CGEDRM
C=C(C)CCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC001345720362	936823055	/nfs/dbraw/zinc/82/30/55/936823055.db2.gz	SUZULQXKDLUJBH-AWEZNQCLSA-N	-1	0	275.348	3.065	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCC[C@H](F)C2)c1	ZINC001349372667	936947659	/nfs/dbraw/zinc/94/76/59/936947659.db2.gz	OETIMZOTPWEWDV-SLDKGUOFSA-N	-1	0	266.272	3.000	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2ccc3ccccc3c2[O-])cn1	ZINC000255579105	926816081	/nfs/dbraw/zinc/81/60/81/926816081.db2.gz	NALLAVMQZBXYJL-TWGQIWQCSA-N	-1	0	278.311	3.175	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cccc(F)n2)sc1C	ZINC001357579684	937174755	/nfs/dbraw/zinc/17/47/55/937174755.db2.gz	AZLXMRLYKMVYNK-SNVBAGLBSA-N	-1	0	274.320	3.389	20	30		CGEDRM
C#CCCCNc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl	ZINC001162446406	928048210	/nfs/dbraw/zinc/04/82/10/928048210.db2.gz	FUOLCSOPDABJFH-UHFFFAOYSA-N	-1	0	290.750	3.274	20	30		CGEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230662779	932605126	/nfs/dbraw/zinc/60/51/26/932605126.db2.gz	GASINOFPDLFWHJ-SNVBAGLBSA-N	-1	0	282.299	3.262	20	30		CGEDRM
C=C(C)C(=O)OC[C@H](C)Oc1cccc2oc(=S)[n-]c21	ZINC001231065684	932669909	/nfs/dbraw/zinc/66/99/09/932669909.db2.gz	PTTYJJXLNIVODP-VIFPVBQESA-N	-1	0	293.344	3.003	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001465174157	937698861	/nfs/dbraw/zinc/69/88/61/937698861.db2.gz	ZAPABMXKQPEDEF-SSDOTTSWSA-N	-1	0	274.147	3.393	20	30		CGEDRM
CC(C)c1nc(C=NNc2ccccc2C(=O)[O-])cs1	ZINC001317946123	933667132	/nfs/dbraw/zinc/66/71/32/933667132.db2.gz	RTPJVCUDUODFTQ-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
CC(=NNC1CCSCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC001333655471	935557266	/nfs/dbraw/zinc/55/72/66/935557266.db2.gz	XFHIKALKZJPBEC-NSHDSACASA-N	-1	0	286.441	3.129	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC001546334526	938000518	/nfs/dbraw/zinc/00/05/18/938000518.db2.gz	QASSHLWLODLEGM-CQSZACIVSA-N	-1	0	278.311	3.172	20	30		CGEDRM
C=C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC001546334525	938000640	/nfs/dbraw/zinc/00/06/40/938000640.db2.gz	QASSHLWLODLEGM-AWEZNQCLSA-N	-1	0	278.311	3.172	20	30		CGEDRM
N#CC(=C([O-])c1cc2c(o1)CCCC2)c1ccccn1	ZINC001515341879	938005579	/nfs/dbraw/zinc/00/55/79/938005579.db2.gz	AFXRHSRKCJGEPR-GFCCVEGCSA-N	-1	0	266.300	3.043	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC000380792766	971717683	/nfs/dbraw/zinc/71/76/83/971717683.db2.gz	IWDAAIOKUWZRKF-KGLIPLIRSA-N	-1	0	283.412	3.497	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000386318049	972043762	/nfs/dbraw/zinc/04/37/62/972043762.db2.gz	DXZRDYQBPRUCMN-UHFFFAOYSA-N	-1	0	290.363	3.417	20	30		CGEDRM
N#Cc1c(F)cccc1N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC001594611738	956219344	/nfs/dbraw/zinc/21/93/44/956219344.db2.gz	BADWISNSNPBCQG-LRDDRELGSA-N	-1	0	296.301	3.422	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCc1ccc(C#N)cc1F	ZINC000013457870	957091588	/nfs/dbraw/zinc/09/15/88/957091588.db2.gz	MSUJACOCECJAPN-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
C=C(C)COc1ccc(C(=O)[O-])cc1Br	ZINC000066056526	957639955	/nfs/dbraw/zinc/63/99/55/957639955.db2.gz	NXCYALXGBDAXCW-UHFFFAOYSA-N	-1	0	271.110	3.102	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(C)C	ZINC000162349309	959211193	/nfs/dbraw/zinc/21/11/93/959211193.db2.gz	VNHUDNHXNLZPFQ-UHFFFAOYSA-N	-1	0	296.754	3.467	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCC=CCCC2)c1	ZINC001567073145	961111759	/nfs/dbraw/zinc/11/17/59/961111759.db2.gz	PNVRBHWPEYSJBX-ZDUSSCGKSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C=CCC1(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CCCCC1	ZINC001573328976	962249015	/nfs/dbraw/zinc/24/90/15/962249015.db2.gz	UDDQWEPEBYZUML-KBPBESRZSA-N	-1	0	293.407	3.082	20	30		CGEDRM
Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(C#N)c1C	ZINC001574389232	962300917	/nfs/dbraw/zinc/30/09/17/962300917.db2.gz	MODAAVXETAFJDN-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
Cc1cc(C#N)cc(NC(=O)c2ccc(C(=O)[O-])c(C)c2)c1	ZINC001574678011	962310314	/nfs/dbraw/zinc/31/03/14/962310314.db2.gz	MZEHVUOAOQQRMA-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1	ZINC001573313749	962736861	/nfs/dbraw/zinc/73/68/61/962736861.db2.gz	QKKXCLBQONIXPC-UHFFFAOYSA-N	-1	0	282.255	3.018	20	30		CGEDRM
C=C(CC(C)C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC001573325458	962796310	/nfs/dbraw/zinc/79/63/10/962796310.db2.gz	JQECOVDNUULFFX-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588605824	962913404	/nfs/dbraw/zinc/91/34/04/962913404.db2.gz	PFVNDUYGKYIZSC-UHFFFAOYSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=CC1(CC(=O)N(CC(=O)[O-])[C@@H](C)CC)CCCCC1	ZINC001573351392	962978513	/nfs/dbraw/zinc/97/85/13/962978513.db2.gz	SSIHDCDUYLLQGK-ZDUSSCGKSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001588682578	963045542	/nfs/dbraw/zinc/04/55/42/963045542.db2.gz	NXTGZWGEYYUPSN-CQSZACIVSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588673360	963046661	/nfs/dbraw/zinc/04/66/61/963046661.db2.gz	RWJIFLAAGNVJMZ-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001586902689	963147747	/nfs/dbraw/zinc/14/77/47/963147747.db2.gz	DGEJWTKBCFAGKQ-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
C=CCC(C)(C)COC(=O)Cc1ccccc1C(=O)[O-]	ZINC001588736812	963157413	/nfs/dbraw/zinc/15/74/13/963157413.db2.gz	VMCBEMJVUALUKP-UHFFFAOYSA-N	-1	0	276.332	3.073	20	30		CGEDRM
Cc1cc(CNc2cc(C)cc(C#N)c2)oc1C(=O)[O-]	ZINC000308119280	963259856	/nfs/dbraw/zinc/25/98/56/963259856.db2.gz	ZATAUUOKOWFIPG-UHFFFAOYSA-N	-1	0	270.288	3.078	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1	ZINC001588444550	963268879	/nfs/dbraw/zinc/26/88/79/963268879.db2.gz	IHKSGCNRBCLTLW-ZDUSSCGKSA-N	-1	0	275.348	3.405	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588450426	963269300	/nfs/dbraw/zinc/26/93/00/963269300.db2.gz	JPLFFMUEBYXBQD-UHFFFAOYSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)OCc1ccc(C(=O)[O-])s1	ZINC001588529986	963273692	/nfs/dbraw/zinc/27/36/92/963273692.db2.gz	OHUHMJCWQCDTGQ-UHFFFAOYSA-N	-1	0	268.334	3.092	20	30		CGEDRM
C=CCCCN(CC)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588460010	963275275	/nfs/dbraw/zinc/27/52/75/963275275.db2.gz	RJBNCMCTZNPYMG-UHFFFAOYSA-N	-1	0	276.336	3.205	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588535557	963285218	/nfs/dbraw/zinc/28/52/18/963285218.db2.gz	JIWBTASBXUMKLJ-LBPRGKRZSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC001588671938	963297035	/nfs/dbraw/zinc/29/70/35/963297035.db2.gz	LJWOQKBPNQMUOG-UHFFFAOYSA-N	-1	0	296.392	3.290	20	30		CGEDRM
C=C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-]	ZINC001588687114	963297087	/nfs/dbraw/zinc/29/70/87/963297087.db2.gz	LAYDHGGDLMEWKU-GFCCVEGCSA-N	-1	0	295.338	3.356	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588682809	963301586	/nfs/dbraw/zinc/30/15/86/963301586.db2.gz	QNDHSOHOIBSYER-BMIGLBTASA-N	-1	0	280.320	3.493	20	30		CGEDRM
C=C[C@@H]([NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-]	ZINC001588692597	963301615	/nfs/dbraw/zinc/30/16/15/963301615.db2.gz	FPRVVXCVHQOBFH-KSBSHMNSSA-N	-1	0	292.137	3.422	20	30		CGEDRM
C=C[C@@H](CC(=O)OCC1(CC(=O)[O-])CC1)c1ccccc1	ZINC001588690766	963305727	/nfs/dbraw/zinc/30/57/27/963305727.db2.gz	KXXNMSBHAMYFPU-ZDUSSCGKSA-N	-1	0	288.343	3.144	20	30		CGEDRM
C=C[C@H](Nc1ccc(OCCC(C)C)cc1)C(=O)[O-]	ZINC001588701900	963307372	/nfs/dbraw/zinc/30/73/72/963307372.db2.gz	CKHHATGDYQSTHZ-AWEZNQCLSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=CCC(C)(C)c1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC001588736937	963308190	/nfs/dbraw/zinc/30/81/90/963308190.db2.gz	ZUYRSNFGWSCQCS-MNOVXSKESA-N	-1	0	278.352	3.282	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC001588736134	963309556	/nfs/dbraw/zinc/30/95/56/963309556.db2.gz	TYIJYSIHTKFUMW-LLVKDONJSA-N	-1	0	292.379	3.058	20	30		CGEDRM
C=CCC[C@H](C(=O)OC/C=C(\C)C(=O)[O-])c1ccccc1	ZINC001588776806	963313494	/nfs/dbraw/zinc/31/34/94/963313494.db2.gz	HGBXPMIEOPBZHZ-FQNOHDAGSA-N	-1	0	288.343	3.311	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C1(CC(C)C)CCC1)C(=O)[O-]	ZINC001588790267	963315287	/nfs/dbraw/zinc/31/52/87/963315287.db2.gz	UMTVDKIZVDVKKZ-ZDUSSCGKSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cncc(C(=O)[O-])c1	ZINC001588771086	963315714	/nfs/dbraw/zinc/31/57/14/963315714.db2.gz	NQAVICLVZASTSR-RISCZKNCSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@H](F)CC1CCCCC1)C(=O)[O-]	ZINC001588786974	963316977	/nfs/dbraw/zinc/31/69/77/963316977.db2.gz	SAWDJDDTCXYUHR-UONOGXRCSA-N	-1	0	299.386	3.221	20	30		CGEDRM
C=CCN(C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC001588822267	963319255	/nfs/dbraw/zinc/31/92/55/963319255.db2.gz	COQNMUBRVVLZLD-UHFFFAOYSA-N	-1	0	290.344	3.249	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588817760	963321612	/nfs/dbraw/zinc/32/16/12/963321612.db2.gz	VFYKCPOWGHVDBQ-UHFFFAOYSA-N	-1	0	296.326	3.151	20	30		CGEDRM
CC(=NNc1cccc(F)c1C(=O)[O-])c1ccsc1	ZINC001589017630	963345328	/nfs/dbraw/zinc/34/53/28/963345328.db2.gz	WLWGVGWBFIRRCF-UHFFFAOYSA-N	-1	0	278.308	3.422	20	30		CGEDRM
C=CCSCCOc1ccc(/C=C\C(=O)[O-])cc1	ZINC000310752740	963430449	/nfs/dbraw/zinc/43/04/49/963430449.db2.gz	IVOVTYYTTIHHJH-YVMONPNESA-N	-1	0	264.346	3.082	20	30		CGEDRM
C[C@@H](C#N)CN(Cc1c(Cl)cccc1C(=O)[O-])C1CC1	ZINC001589330577	963981843	/nfs/dbraw/zinc/98/18/43/963981843.db2.gz	JYAQUMZWAUEJQA-JTQLQIEISA-N	-1	0	292.766	3.162	20	30		CGEDRM
C[C@@H](C#N)OCCSCc1ccc(C(=O)[O-])c(Cl)c1	ZINC001589331469	963983285	/nfs/dbraw/zinc/98/32/85/963983285.db2.gz	FNWOXZJMUOBWCT-VIFPVBQESA-N	-1	0	299.779	3.200	20	30		CGEDRM
C[C@H](C#N)OCCSCc1ccc(C(=O)[O-])c(Cl)c1	ZINC001589331468	963985169	/nfs/dbraw/zinc/98/51/69/963985169.db2.gz	FNWOXZJMUOBWCT-SECBINFHSA-N	-1	0	299.779	3.200	20	30		CGEDRM
CC(C)(C#N)CCCOC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001589554603	964000594	/nfs/dbraw/zinc/00/05/94/964000594.db2.gz	GNQRNVWNBLLZOS-UHFFFAOYSA-N	-1	0	293.294	3.011	20	30		CGEDRM
CC(C)(C#N)CCn1ncc2ccc(Cl)c(C(=O)[O-])c21	ZINC001589554518	964000924	/nfs/dbraw/zinc/00/09/24/964000924.db2.gz	CYZSSIXHWBBCIZ-UHFFFAOYSA-N	-1	0	291.738	3.328	20	30		CGEDRM
CC(CC(C)(C)CC(=O)[O-])N=Nc1ccnc(Cl)c1	ZINC001592444264	978101784	/nfs/dbraw/zinc/10/17/84/978101784.db2.gz	MVGYSJRSEJJTBW-UHFFFAOYSA-N	-1	0	283.759	3.414	20	30		CGEDRM
CC[C@@H]1C[C@@H](CN=Nc2ccc(C)c(C(=O)[O-])c2)CCO1	ZINC001595407783	980994565	/nfs/dbraw/zinc/99/45/65/980994565.db2.gz	CXOHEMCQIMBDRZ-GXTWGEPZSA-N	-1	0	290.363	3.296	20	30		CGEDRM
CC[C@@H](C#N)C(=O)Nc1cccc2cc(C(=O)[O-])sc21	ZINC001594722061	987208685	/nfs/dbraw/zinc/20/86/85/987208685.db2.gz	HWADOUJVZUGYEQ-QMMMGPOBSA-N	-1	0	288.328	3.088	20	30		CGEDRM
CC(C)(C)C[C@@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001589743287	988024709	/nfs/dbraw/zinc/02/47/09/988024709.db2.gz	JPIHIVRWENXKIY-OUZNOSRWSA-N	-1	0	283.755	3.354	20	30		CGEDRM
CCc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)s1	ZINC001597520114	988148027	/nfs/dbraw/zinc/14/80/27/988148027.db2.gz	OELLHUPJRHMKIJ-WAYWQWQTSA-N	-1	0	276.313	3.498	20	30		CGEDRM
CC(C)(CC/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC001590671139	990380498	/nfs/dbraw/zinc/38/04/98/990380498.db2.gz	QIQBQDVJBNXTQL-WOJGMQOQSA-N	-1	0	285.343	3.465	20	30		CGEDRM
CC(C)[C@H](C)S[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590975441	991117396	/nfs/dbraw/zinc/11/73/96/991117396.db2.gz	DDJFDMNJKRBCCQ-GXFFZTMASA-N	-1	0	263.362	3.462	20	30		CGEDRM
CC(C)CNN=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001591379742	992421998	/nfs/dbraw/zinc/42/19/98/992421998.db2.gz	IZJJGHMAZWDURV-UHFFFAOYSA-N	-1	0	286.331	3.224	20	30		CGEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC001591532852	992707519	/nfs/dbraw/zinc/70/75/19/992707519.db2.gz	CQEZKJYXOLPMRR-BQYQJAHWSA-N	-1	0	298.342	3.133	20	30		CGEDRM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C2CCC2)c1C	ZINC000069603711	345382572	/nfs/dbraw/zinc/38/25/72/345382572.db2.gz	AOGGXYSNNLYFHD-UHFFFAOYSA-N	-1	0	295.404	3.366	20	30		CGEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC000089288047	345768082	/nfs/dbraw/zinc/76/80/82/345768082.db2.gz	ACHFXTRQZUGVCS-JHJVBQTASA-N	-1	0	285.409	3.065	20	30		CGEDRM
N#CCc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1	ZINC000334341092	346494136	/nfs/dbraw/zinc/49/41/36/346494136.db2.gz	NVCAPNILAQVYMW-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
C[C@@H]1C[C@H]1c1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000601064102	347862282	/nfs/dbraw/zinc/86/22/82/347862282.db2.gz	MKRSFROGXDHOIP-BXUZGUMPSA-N	-1	0	296.374	3.028	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(C3CCC3)cc2=O)cc1Cl	ZINC000601946529	347927658	/nfs/dbraw/zinc/92/76/58/347927658.db2.gz	BKFHQXMKKXEQJB-UHFFFAOYSA-N	-1	0	273.723	3.104	20	30		CGEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000601985836	347931093	/nfs/dbraw/zinc/93/10/93/347931093.db2.gz	ZHNNKCUBZYKGCP-CQSZACIVSA-N	-1	0	294.738	3.041	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c3c(c2=O)CCCCCC3)c1	ZINC000601933470	347925957	/nfs/dbraw/zinc/92/59/57/347925957.db2.gz	ZOOCBIJDNMIUSP-AWEZNQCLSA-N	-1	0	267.332	3.231	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000608552729	348316866	/nfs/dbraw/zinc/31/68/66/348316866.db2.gz	AJRDOJAXCUEELD-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1	ZINC000611305132	348437346	/nfs/dbraw/zinc/43/73/46/348437346.db2.gz	XWYWEVNJXBENCP-UHFFFAOYSA-N	-1	0	298.367	3.236	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(C(F)F)c1)C(=O)[O-]	ZINC000630547722	350852142	/nfs/dbraw/zinc/85/21/42/350852142.db2.gz	VMCIRABGLHVXOO-NSHDSACASA-N	-1	0	298.289	3.165	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])CCCC1(C)C	ZINC000634936902	351606638	/nfs/dbraw/zinc/60/66/38/351606638.db2.gz	WCRPXXJPXMQKSQ-MJBXVCDLSA-N	-1	0	293.407	3.081	20	30		CGEDRM
CCN(CCC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000127635374	370954640	/nfs/dbraw/zinc/95/46/40/370954640.db2.gz	VNWOWNMQKPLUDK-UHFFFAOYSA-N	-1	0	273.163	3.435	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccc(F)cc1	ZINC000073838033	369865824	/nfs/dbraw/zinc/86/58/24/369865824.db2.gz	JEGVYEMQVZPVQO-JXMROGBWSA-N	-1	0	299.367	3.314	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cncc(F)c2)n1	ZINC000152474078	371697642	/nfs/dbraw/zinc/69/76/42/371697642.db2.gz	GBTXHDPNOLVBNG-NSHDSACASA-N	-1	0	289.335	3.291	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cncc(F)c2)n1	ZINC000152474189	371697845	/nfs/dbraw/zinc/69/78/45/371697845.db2.gz	GBTXHDPNOLVBNG-LLVKDONJSA-N	-1	0	289.335	3.291	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000424893623	372106284	/nfs/dbraw/zinc/10/62/84/372106284.db2.gz	MSEOKBYGQAPDNP-UHFFFAOYSA-N	-1	0	255.264	3.211	20	30		CGEDRM
Cc1nsc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000429697966	372377701	/nfs/dbraw/zinc/37/77/01/372377701.db2.gz	LOGWHPMLMJUERX-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
N#CCC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CC1	ZINC000437000862	372842731	/nfs/dbraw/zinc/84/27/31/372842731.db2.gz	OLMQTRAXEIGYBE-UHFFFAOYSA-N	-1	0	299.157	3.123	20	30		CGEDRM
COc1cc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)cc1C	ZINC000444621100	373215186	/nfs/dbraw/zinc/21/51/86/373215186.db2.gz	YJQJSFUZWXCMRN-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
CC(C)(CNC(=O)c1csc(=O)[nH]1)C1CCCC1	ZINC000329949895	374444850	/nfs/dbraw/zinc/44/48/50/374444850.db2.gz	BYWVNHUGDSKJAX-UHFFFAOYSA-N	-1	0	268.382	3.370	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1Cl	ZINC000335078434	375111768	/nfs/dbraw/zinc/11/17/68/375111768.db2.gz	FNJNSAVRRLUKOA-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
CC1(C#N)CCC(Nc2cccc(CC(=O)[O-])c2)CC1	ZINC000515613976	375814686	/nfs/dbraw/zinc/81/46/86/375814686.db2.gz	WLVQKKGBGTWIIY-UHFFFAOYSA-N	-1	0	272.348	3.198	20	30		CGEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1C	ZINC000230333878	376506642	/nfs/dbraw/zinc/50/66/42/376506642.db2.gz	XQAXUENBVLWMST-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#CCN(Cc1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000271145610	378462547	/nfs/dbraw/zinc/46/25/47/378462547.db2.gz	RDXXENGRDNNZQC-UHFFFAOYSA-N	-1	0	271.147	3.187	20	30		CGEDRM
COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1F	ZINC000357801932	381283502	/nfs/dbraw/zinc/28/35/02/381283502.db2.gz	NKDUXAIAKWKQKK-JTQLQIEISA-N	-1	0	290.319	3.089	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1nccc2ccccc21	ZINC000361530298	381789226	/nfs/dbraw/zinc/78/92/26/381789226.db2.gz	IVDBFCRZXJRDAN-ZDUSSCGKSA-N	-1	0	262.268	3.318	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ncoc2C(C)C)n1	ZINC000732494637	572468812	/nfs/dbraw/zinc/46/88/12/572468812.db2.gz	BPYHJCFXAQCWIK-VIFPVBQESA-N	-1	0	275.333	3.053	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)[O-]	ZINC000569016954	393194837	/nfs/dbraw/zinc/19/48/37/393194837.db2.gz	DDZAGUJNPVIFPQ-AWEZNQCLSA-N	-1	0	289.375	3.133	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1nccc2ccccc21	ZINC000683692059	543932658	/nfs/dbraw/zinc/93/26/58/543932658.db2.gz	NLDBPGIRACGFSN-LBPRGKRZSA-N	-1	0	279.324	3.181	20	30		CGEDRM
C=C(C)C[N@@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)[O-]	ZINC000652430523	418967069	/nfs/dbraw/zinc/96/70/69/418967069.db2.gz	KGCZUGMJDXCWFH-UHFFFAOYSA-N	-1	0	286.331	3.048	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)cc(F)c2)n1	ZINC000336169677	228202939	/nfs/dbraw/zinc/20/29/39/228202939.db2.gz	XZSIAWCLIDPWJD-GFCCVEGCSA-N	-1	0	274.320	3.389	20	30		CGEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000073087449	260165042	/nfs/dbraw/zinc/16/50/42/260165042.db2.gz	MUAMGTGYKLTYMP-NSHDSACASA-N	-1	0	295.404	3.113	20	30		CGEDRM
CC#CCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286881591	263099856	/nfs/dbraw/zinc/09/98/56/263099856.db2.gz	LIIOZJZFYUJZGR-UHFFFAOYSA-N	-1	0	269.703	3.317	20	30		CGEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1	ZINC000188208414	270069332	/nfs/dbraw/zinc/06/93/32/270069332.db2.gz	IRSVOTRVAKVZLU-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)s1)c1nc2ccccc2o1	ZINC000429730282	268207278	/nfs/dbraw/zinc/20/72/78/268207278.db2.gz	DKCNKKKKJIOBQO-JTQLQIEISA-N	-1	0	293.307	3.251	20	30		CGEDRM
C=CCCCCCN=c1[n-]nc(-c2ccccn2)s1	ZINC000582676070	329123926	/nfs/dbraw/zinc/12/39/26/329123926.db2.gz	CQJJXMLDELCVIF-UHFFFAOYSA-N	-1	0	274.393	3.180	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@@H](CCC)c1ccccc1)C(=O)[O-]	ZINC000262953580	330037534	/nfs/dbraw/zinc/03/75/34/330037534.db2.gz	QWTBRNOSPZZKMC-GJZGRUSLSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCCC[C@@H](C)Sc1n[n-]c(=NCC=C)s1	ZINC000462383201	331321099	/nfs/dbraw/zinc/32/10/99/331321099.db2.gz	HVXBMUMXIAYMMC-SNVBAGLBSA-N	-1	0	269.439	3.395	20	30		CGEDRM
CCCc1ncc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000076763499	334088544	/nfs/dbraw/zinc/08/85/44/334088544.db2.gz	ODMCROAZYSHNRD-VIFPVBQESA-N	-1	0	291.401	3.351	20	30		CGEDRM
C[C@H](C#N)CNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000080032465	334165249	/nfs/dbraw/zinc/16/52/49/334165249.db2.gz	ABJLFNKLHUCMKZ-SECBINFHSA-N	-1	0	288.734	3.088	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cc1O	ZINC000727777238	571769205	/nfs/dbraw/zinc/76/92/05/571769205.db2.gz	MCQYWBYZFVJTTQ-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
CCCCCC[C@H]1CCCC1N=Nc1nnc(C)c(=O)[n-]1	ZINC000728156073	571790388	/nfs/dbraw/zinc/79/03/88/571790388.db2.gz	AIUPGUZZNTVPIW-LBPRGKRZSA-N	-1	0	291.399	3.424	20	30		CGEDRM
CC(CSC(C)(C)C)=NNc1cnnc([O-])c1Cl	ZINC000729635143	571925848	/nfs/dbraw/zinc/92/58/48/571925848.db2.gz	DYSFPAPXEACCIH-UHFFFAOYSA-N	-1	0	288.804	3.155	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730148736	571951707	/nfs/dbraw/zinc/95/17/07/571951707.db2.gz	KPXWZCYYEIFZGZ-WAYWQWQTSA-N	-1	0	283.308	3.214	20	30		CGEDRM
C[C@H](C#N)CSc1ccccc1[N-]C(=S)NC1CC1	ZINC000730954670	572387826	/nfs/dbraw/zinc/38/78/26/572387826.db2.gz	GYBCRZWJCKGUMW-SNVBAGLBSA-N	-1	0	291.445	3.387	20	30		CGEDRM
N#Cc1ccc(COC(=O)c2ccccc2NC(=O)[O-])cc1	ZINC000739118755	572402839	/nfs/dbraw/zinc/40/28/39/572402839.db2.gz	WOXYEBMYPDRECQ-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
CCON=Cc1cccc(OCc2ccccc2C(=O)[O-])c1	ZINC000731558738	572417558	/nfs/dbraw/zinc/41/75/58/572417558.db2.gz	IBAIEKWLSGPJPZ-UHFFFAOYSA-N	-1	0	299.326	3.334	20	30		CGEDRM
O=C([O-])c1cc(Cl)cc(N=Cc2cccc(O)c2O)c1	ZINC000740075114	572430834	/nfs/dbraw/zinc/43/08/34/572430834.db2.gz	XVQLMEIVFFVGOG-UHFFFAOYSA-N	-1	0	291.690	3.200	20	30		CGEDRM
CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCOC1	ZINC000741837528	572533853	/nfs/dbraw/zinc/53/38/53/572533853.db2.gz	LENXUKOMUSZUTF-VIFPVBQESA-N	-1	0	296.754	3.253	20	30		CGEDRM
Cc1ncsc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000742434801	572582151	/nfs/dbraw/zinc/58/21/51/572582151.db2.gz	NNZHMBVBHPJZQQ-IHWYPQMZSA-N	-1	0	279.342	3.107	20	30		CGEDRM
C=CCCCOC(=O)c1cc(-c2cccs2)[nH]n1	ZINC000735529821	572728118	/nfs/dbraw/zinc/72/81/18/572728118.db2.gz	NQKKMVKUDREPPB-UHFFFAOYSA-N	-1	0	262.334	3.261	20	30		CGEDRM
COc1cccc(O)c1/C=N/CCc1cccc(C)c1	ZINC000749103956	572989099	/nfs/dbraw/zinc/98/90/99/572989099.db2.gz	FYTMLHPOHZYGJW-LDADJPATSA-N	-1	0	269.344	3.371	20	30		CGEDRM
CCCCCCCCCC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000106537639	600016229	/nfs/dbraw/zinc/01/62/29/600016229.db2.gz	FTBLAUNHUFUWCI-CQSZACIVSA-N	-1	0	283.412	3.450	20	30		CGEDRM
N#Cc1cc(NCc2cccc(C(=O)[O-])c2)ccc1F	ZINC000236487856	599853910	/nfs/dbraw/zinc/85/39/10/599853910.db2.gz	QSDREQIPPACDTD-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000113703853	599864530	/nfs/dbraw/zinc/86/45/30/599864530.db2.gz	KTJFELKTRIUGFZ-YWEYNIOJSA-N	-1	0	282.295	3.295	20	30		CGEDRM
C=CCCCOc1ccc(Br)cc1C(=O)[O-]	ZINC000163690406	600709356	/nfs/dbraw/zinc/70/93/56/600709356.db2.gz	UPKMERXDRDMOBE-UHFFFAOYSA-N	-1	0	285.137	3.492	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Cc3cc(Cl)ccc3C2=O)o1	ZINC000833312715	600830275	/nfs/dbraw/zinc/83/02/75/600830275.db2.gz	UUWQXMMNTLUUBV-VQHVLOKHSA-N	-1	0	288.686	3.454	20	30		CGEDRM
COc1cccc(C=Nc2ccc(C)c(C(=O)[O-])c2)c1O	ZINC000832545441	601177517	/nfs/dbraw/zinc/17/75/17/601177517.db2.gz	GUCPVYPPEGDIBI-UHFFFAOYSA-N	-1	0	285.299	3.158	20	30		CGEDRM
CCOc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000830104690	601301615	/nfs/dbraw/zinc/30/16/15/601301615.db2.gz	MUTBZDPUXZPBTM-INIZCTEOSA-N	-1	0	296.326	3.195	20	30		CGEDRM
C=CCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000825671379	601430642	/nfs/dbraw/zinc/43/06/42/601430642.db2.gz	OBQSLDJRRIEGHZ-CYBMUJFWSA-N	-1	0	282.723	3.365	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)o1	ZINC000830229392	601510787	/nfs/dbraw/zinc/51/07/87/601510787.db2.gz	SAJPEYIEQJHQQD-ZZXKWVIFSA-N	-1	0	260.245	3.029	20	30		CGEDRM
C#CCCc1cc(=O)n(Cc2ccc(C(F)(F)F)cc2)[n-]1	ZINC000899348359	620651414	/nfs/dbraw/zinc/65/14/14/620651414.db2.gz	WAURTQRBHOGGKO-UHFFFAOYSA-N	-1	0	294.276	3.207	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c[nH]1	ZINC000833092720	601792194	/nfs/dbraw/zinc/79/21/94/601792194.db2.gz	LJLISDCVPLXGRV-VMPITWQZSA-N	-1	0	295.338	3.488	20	30		CGEDRM
Cc1cccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1C	ZINC000832963840	601793209	/nfs/dbraw/zinc/79/32/09/601793209.db2.gz	RWYYGZVUDRYKFE-SREVYHEPSA-N	-1	0	269.300	3.226	20	30		CGEDRM
N#CCCCCSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000833065680	601884848	/nfs/dbraw/zinc/88/48/48/601884848.db2.gz	JOGPTPHRDUWQKB-UHFFFAOYSA-N	-1	0	276.317	3.312	20	30		CGEDRM
N#Cc1cc(CNc2ccc(C(=O)[O-])c(F)c2)ccc1F	ZINC000833068720	602303543	/nfs/dbraw/zinc/30/35/43/602303543.db2.gz	KQXHXCYYDMPMFY-UHFFFAOYSA-N	-1	0	288.253	3.147	20	30		CGEDRM
CCCCCCCC(=O)N(CC(=O)[O-])C1CCCC1	ZINC000102982252	602400836	/nfs/dbraw/zinc/40/08/36/602400836.db2.gz	CUZFHTSCUBQDOT-UHFFFAOYSA-N	-1	0	269.385	3.203	20	30		CGEDRM
CN(C(=O)[O-])c1ccc(OCc2ccccc2C#N)cc1	ZINC000827921518	603158325	/nfs/dbraw/zinc/15/83/25/603158325.db2.gz	NRHVYXXTIVVSLA-UHFFFAOYSA-N	-1	0	282.299	3.251	20	30		CGEDRM
N#Cc1cccc(Cl)c1NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831146238	603183219	/nfs/dbraw/zinc/18/32/19/603183219.db2.gz	MGXSNWKOIILKAN-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
N#Cc1cccc(CNc2cccc3c2CCN3C(=O)[O-])c1	ZINC000831146226	604012388	/nfs/dbraw/zinc/01/23/88/604012388.db2.gz	LOUKOKWUJLYREA-UHFFFAOYSA-N	-1	0	293.326	3.211	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1	ZINC000833309944	604628245	/nfs/dbraw/zinc/62/82/45/604628245.db2.gz	JPQODUZOGVECMM-XFSBKJJWSA-N	-1	0	287.702	3.329	20	30		CGEDRM
CC(=NN[C@H](C)c1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000825804250	604638796	/nfs/dbraw/zinc/63/87/96/604638796.db2.gz	BPRDWTLREUYKOQ-GFCCVEGCSA-N	-1	0	282.343	3.460	20	30		CGEDRM
CC1=CCC[C@H](C)[C@@H]1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000773206042	605004529	/nfs/dbraw/zinc/00/45/29/605004529.db2.gz	CNLGLNGQQXZEAH-WCQYABFASA-N	-1	0	273.336	3.170	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(F)cc1F	ZINC000793004250	605098720	/nfs/dbraw/zinc/09/87/20/605098720.db2.gz	YSDBUSSELUEUIC-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
C#CCN(CC)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833364911	605129785	/nfs/dbraw/zinc/12/97/85/605129785.db2.gz	UXGLEGIWHIWEJP-LBPRGKRZSA-N	-1	0	286.158	3.074	20	30		CGEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000829839549	605204281	/nfs/dbraw/zinc/20/42/81/605204281.db2.gz	MJEKQXATJGWPMN-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
C=CCCCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC000833373488	605302626	/nfs/dbraw/zinc/30/26/26/605302626.db2.gz	QOLLWZSCFIPHSN-KRWDZBQOSA-N	-1	0	297.354	3.438	20	30		CGEDRM
O=C([O-])N[C@@H]1CCCCCC1N=Nc1cc(Cl)ccn1	ZINC000834182145	605307657	/nfs/dbraw/zinc/30/76/57/605307657.db2.gz	HWMQXWSPAACPJK-SNVBAGLBSA-N	-1	0	296.758	3.103	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1	ZINC000833387000	605595863	/nfs/dbraw/zinc/59/58/63/605595863.db2.gz	IWUGQPZUYZLOFC-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
Cc1csc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1C#N	ZINC000899783101	620726913	/nfs/dbraw/zinc/72/69/13/620726913.db2.gz	TWIVXTFWOOMWDX-SNVBAGLBSA-N	-1	0	294.376	3.004	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)C(C)(C)SCC(=O)[O-])c1	ZINC000899854899	620731828	/nfs/dbraw/zinc/73/18/28/620731828.db2.gz	PJTNTWHPCIZBRC-UHFFFAOYSA-N	-1	0	293.388	3.255	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1	ZINC000899854746	620732037	/nfs/dbraw/zinc/73/20/37/620732037.db2.gz	OAYVIPSFWLNESQ-GHMZBOCLSA-N	-1	0	293.388	3.253	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2	ZINC000254975281	617709005	/nfs/dbraw/zinc/70/90/05/617709005.db2.gz	PEVINHAVZLUOAL-NTUHNPAUSA-N	-1	0	295.294	3.431	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1cccc(C(=O)[O-])c1	ZINC000806559005	617719811	/nfs/dbraw/zinc/71/98/11/617719811.db2.gz	RPGSSLYJIQMMKM-MDZDMXLPSA-N	-1	0	282.295	3.290	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000806558833	617719835	/nfs/dbraw/zinc/71/98/35/617719835.db2.gz	NBQFRVMURGRYRW-CMDGGOBGSA-N	-1	0	277.279	3.153	20	30		CGEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2ccc(C#N)cc2)c1	ZINC000255085401	617917395	/nfs/dbraw/zinc/91/73/95/617917395.db2.gz	CVWIKGSGXMQBAI-CLFYSBASSA-N	-1	0	263.296	3.468	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(F)cc1C)C(=O)[O-]	ZINC000900322632	620781126	/nfs/dbraw/zinc/78/11/26/620781126.db2.gz	OTWLYGWHCFUPOD-CYBMUJFWSA-N	-1	0	294.326	3.065	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])c1	ZINC000900355588	620781852	/nfs/dbraw/zinc/78/18/52/620781852.db2.gz	QBNXBNVEIOIEKH-INIZCTEOSA-N	-1	0	288.347	3.191	20	30		CGEDRM
O=C(/C=C\c1cnc2ccccn12)c1ccc(F)cc1[O-]	ZINC000255363309	618220600	/nfs/dbraw/zinc/22/06/00/618220600.db2.gz	NWRHQUFVYDXGMV-ALCCZGGFSA-N	-1	0	282.274	3.075	20	30		CGEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F	ZINC000255428287	618467023	/nfs/dbraw/zinc/46/70/23/618467023.db2.gz	LYOZJSUXYLBVDH-YVMONPNESA-N	-1	0	287.246	3.336	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1	ZINC000158389426	618633143	/nfs/dbraw/zinc/63/31/43/618633143.db2.gz	YBFDMPCSFSSIKW-UHFFFAOYSA-N	-1	0	295.323	3.240	20	30		CGEDRM
O=C(/C=C\c1cccnc1Cl)c1ccccc1[O-]	ZINC000255634404	618769017	/nfs/dbraw/zinc/76/90/17/618769017.db2.gz	XAUFADNJNCQCNC-FPLPWBNLSA-N	-1	0	259.692	3.337	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2cc(F)ccc2[O-])cn1	ZINC000255767786	618787022	/nfs/dbraw/zinc/78/70/22/618787022.db2.gz	FMXIZSIPHFHPLF-HYXAFXHYSA-N	-1	0	274.295	3.205	20	30		CGEDRM
C=CCOc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179730235	618800464	/nfs/dbraw/zinc/80/04/64/618800464.db2.gz	CRBCYGAKDHDLBY-UHFFFAOYSA-N	-1	0	294.310	3.081	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC2(Cl)Cl)c(F)c1	ZINC000853354676	618987065	/nfs/dbraw/zinc/98/70/65/618987065.db2.gz	RVUCQTXHQCYREX-ZETCQYMHSA-N	-1	0	291.109	3.115	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C=C(C)c1ccccc1	ZINC000048619386	619513381	/nfs/dbraw/zinc/51/33/81/619513381.db2.gz	ASPRJSMYZTWQKS-VAWYXSNFSA-N	-1	0	281.377	3.176	20	30		CGEDRM
C#CCCCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000163154727	619730543	/nfs/dbraw/zinc/73/05/43/619730543.db2.gz	TWCOLHJJDOUSET-UHFFFAOYSA-N	-1	0	286.158	3.232	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NO[C@@H]1CCCCO1	ZINC000814888192	619782564	/nfs/dbraw/zinc/78/25/64/619782564.db2.gz	ZMCPQZXYCQLATJ-GFCCVEGCSA-N	-1	0	273.691	3.062	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCC1CCC1	ZINC000079153395	620087907	/nfs/dbraw/zinc/08/79/07/620087907.db2.gz	KMPAGPOPVUIKGK-UHFFFAOYSA-N	-1	0	261.387	3.042	20	30		CGEDRM
C=C1CC(C)(c2noc(-c3cccc(OC)c3O)n2)C1	ZINC000896915955	620098780	/nfs/dbraw/zinc/09/87/80/620098780.db2.gz	SEKJYOKGBPMZCU-UHFFFAOYSA-N	-1	0	272.304	3.059	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)cc1C	ZINC000073086912	625430085	/nfs/dbraw/zinc/43/00/85/625430085.db2.gz	GUKXXPXZTDUMJH-GFCCVEGCSA-N	-1	0	283.393	3.241	20	30		CGEDRM
C[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCS1	ZINC000899227479	620626954	/nfs/dbraw/zinc/62/69/54/620626954.db2.gz	MDZIQGCVDVWRCV-LDMMBYSASA-N	-1	0	280.349	3.003	20	30		CGEDRM
CS[C@@H]1CCCC(N=Nc2ccccc2C(=O)[O-])C1	ZINC000901160246	620838676	/nfs/dbraw/zinc/83/86/76/620838676.db2.gz	YORDXNOEUPBFMD-LLVKDONJSA-N	-1	0	278.377	3.458	20	30		CGEDRM
C[C@@H]1C(=NNC2CCC(F)(F)CC2)CC[C@@H]1CC(=O)[O-]	ZINC000901340798	620857122	/nfs/dbraw/zinc/85/71/22/620857122.db2.gz	NISRVQVRRYSZEO-VHSXEESVSA-N	-1	0	288.338	3.031	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1cc(C)ccc1F)C(=O)[O-]	ZINC000905016551	622028115	/nfs/dbraw/zinc/02/81/15/622028115.db2.gz	TZPHHVFXCPXXGZ-GFCCVEGCSA-N	-1	0	294.326	3.065	20	30		CGEDRM
CC(=NNC1CCSCC1)c1ccc(O)cc1Cl	ZINC000905498351	622082724	/nfs/dbraw/zinc/08/27/24/622082724.db2.gz	SYFVOUWUNMSFSO-UHFFFAOYSA-N	-1	0	284.812	3.255	20	30		CGEDRM
C#CCCCCCCNc1ccc2cnn(CC(=O)[O-])c2c1	ZINC000905750444	622099541	/nfs/dbraw/zinc/09/95/41/622099541.db2.gz	DXKDEMWEWLFIMU-UHFFFAOYSA-N	-1	0	299.374	3.117	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(CCC(=O)[O-])Cc1ccccc1	ZINC000907541689	622300993	/nfs/dbraw/zinc/30/09/93/622300993.db2.gz	IGWFFTNDHGGUGJ-AWEZNQCLSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000908635911	622360762	/nfs/dbraw/zinc/36/07/62/622360762.db2.gz	DJJNDQNWNSGBAB-NSHDSACASA-N	-1	0	298.289	3.165	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909079193	622393736	/nfs/dbraw/zinc/39/37/36/622393736.db2.gz	PUBIWERMTRODEJ-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1	ZINC000909287470	622416685	/nfs/dbraw/zinc/41/66/85/622416685.db2.gz	CNANBKURNRJLFW-UHFFFAOYSA-N	-1	0	287.359	3.344	20	30		CGEDRM
Cc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cc(C)c1O	ZINC000156641439	622831670	/nfs/dbraw/zinc/83/16/70/622831670.db2.gz	LCMSQFDRFLWVBN-ZZXKWVIFSA-N	-1	0	284.311	3.316	20	30		CGEDRM
COc1ccc(O)c(C(=O)/C=C/c2cccnc2Cl)c1	ZINC000156690546	622834731	/nfs/dbraw/zinc/83/47/31/622834731.db2.gz	YSIDKZXQPHBOHJ-GQCTYLIASA-N	-1	0	289.718	3.345	20	30		CGEDRM
O=C1c2ccc(F)cc2C/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000172044991	623210728	/nfs/dbraw/zinc/21/07/28/623210728.db2.gz	FHQCGTNPBDTSCM-WZUFQYTHSA-N	-1	0	299.257	3.262	20	30		CGEDRM
C[C@@]1(C#N)CCCN(Cc2cccc(Cl)c2[O-])C1	ZINC000753586850	623437066	/nfs/dbraw/zinc/43/70/66/623437066.db2.gz	KPEAFWHAYFLUPN-AWEZNQCLSA-N	-1	0	264.756	3.171	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cc(F)ccc2F)c1	ZINC000915936088	624081186	/nfs/dbraw/zinc/08/11/86/624081186.db2.gz	ONHBFYUPFAFKGH-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000916240892	624125993	/nfs/dbraw/zinc/12/59/93/624125993.db2.gz	SXHQMIILENCFIX-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
O=[N+]([O-])c1cc(C=NNc2cccc(Cl)c2)ccc1[O-]	ZINC000916268016	624133590	/nfs/dbraw/zinc/13/35/90/624133590.db2.gz	DVWLFHAFPPVUIG-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000916346410	624148628	/nfs/dbraw/zinc/14/86/28/624148628.db2.gz	ABGICAUDNDWCJE-UHFFFAOYSA-N	-1	0	285.303	3.363	20	30		CGEDRM
N#Cc1cc2ccccc2nc1NCCCCCC(=O)[O-]	ZINC000071385462	625084744	/nfs/dbraw/zinc/08/47/44/625084744.db2.gz	CVMBDBHDWGAEPG-UHFFFAOYSA-N	-1	0	283.331	3.163	20	30		CGEDRM
Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1C(=O)[O-]	ZINC000923065118	626127721	/nfs/dbraw/zinc/12/77/21/626127721.db2.gz	WHRTYUBVNRIMSX-KRWDZBQOSA-N	-1	0	298.342	3.106	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000923064056	626127949	/nfs/dbraw/zinc/12/79/49/626127949.db2.gz	LSQPAZLCIABAKJ-UHFFFAOYSA-N	-1	0	294.738	3.307	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)[O-])sc2C)C1	ZINC000923097341	626130833	/nfs/dbraw/zinc/13/08/33/626130833.db2.gz	ZPJLXSKUEYJJSQ-UHFFFAOYSA-N	-1	0	265.334	3.050	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=NNCc1cccc(F)c1	ZINC000753162245	626446968	/nfs/dbraw/zinc/44/69/68/626446968.db2.gz	JIAPYYNEULFDME-UHFFFAOYSA-N	-1	0	278.714	3.308	20	30		CGEDRM
COCC(C)(C)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000754900404	626592840	/nfs/dbraw/zinc/59/28/40/626592840.db2.gz	GBGMEAMYINWOEP-UHFFFAOYSA-N	-1	0	284.743	3.109	20	30		CGEDRM
Cc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)nc1	ZINC000761792147	627060795	/nfs/dbraw/zinc/06/07/95/627060795.db2.gz	BAUHVPRYRPITGH-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000764431276	627207181	/nfs/dbraw/zinc/20/71/81/627207181.db2.gz	AVTCRGKXFOSELS-NSCUHMNNSA-N	-1	0	294.353	3.413	20	30		CGEDRM
C#CCC(CC#C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000764646401	627216236	/nfs/dbraw/zinc/21/62/36/627216236.db2.gz	CLTXKRVYGWZLFD-UHFFFAOYSA-N	-1	0	296.153	3.300	20	30		CGEDRM
O=C(/C=C\c1cn[nH]c1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766033216	627288966	/nfs/dbraw/zinc/28/89/66/627288966.db2.gz	BYYFTBNPQAITFU-UPHRSURJSA-N	-1	0	283.114	3.318	20	30		CGEDRM
O=C(/C=C/c1nccs1)c1ccc([O-])c(Cl)c1	ZINC000768756823	627496537	/nfs/dbraw/zinc/49/65/37/627496537.db2.gz	NLFZDHPAOLHMEI-ONEGZZNKSA-N	-1	0	265.721	3.398	20	30		CGEDRM
O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1sccc1[O-]	ZINC000773143399	627862515	/nfs/dbraw/zinc/86/25/15/627862515.db2.gz	SOZQMLJPBBRSBV-DUXPYHPUSA-N	-1	0	293.275	3.397	20	30		CGEDRM
O=C([O-])c1ccc([N-][NH+]=C2CCCNc3ccccc32)cc1	ZINC000774300221	627973820	/nfs/dbraw/zinc/97/38/20/627973820.db2.gz	CAYPPSICOWBDDI-UHFFFAOYSA-N	-1	0	295.342	3.407	20	30		CGEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)C1CCC1	ZINC000774306038	627974522	/nfs/dbraw/zinc/97/45/22/627974522.db2.gz	QYEBHJCRJQJALO-UHFFFAOYSA-N	-1	0	289.441	3.126	20	30		CGEDRM
CCCCCCCC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC000777380297	628263766	/nfs/dbraw/zinc/26/37/66/628263766.db2.gz	ZFRCKSFFOJWJNL-GFCCVEGCSA-N	-1	0	269.385	3.059	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2cnccc2c1	ZINC000782176994	628620147	/nfs/dbraw/zinc/62/01/47/628620147.db2.gz	LAUNGUSRTOZNRA-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\Cc3ccc(F)cc3C2=O)c1	ZINC000782206123	628624727	/nfs/dbraw/zinc/62/47/27/628624727.db2.gz	GGTBDJBCQKAIAZ-RUDMXATFSA-N	-1	0	288.299	3.408	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)s1	ZINC000782208370	628625022	/nfs/dbraw/zinc/62/50/22/628625022.db2.gz	ZEMAEMIRUOSKKD-IWQZZHSRSA-N	-1	0	289.337	3.276	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccc(F)nc2C)c([O-])c1	ZINC000782348864	628641486	/nfs/dbraw/zinc/64/14/86/628641486.db2.gz	VBRQXYYFBNBQBP-QPJJXVBHSA-N	-1	0	271.291	3.439	20	30		CGEDRM
CC(C)(C)C1CCN(N=Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000790182223	629189917	/nfs/dbraw/zinc/18/99/17/629189917.db2.gz	YHNCWJZPYUQGNM-UHFFFAOYSA-N	-1	0	288.391	3.477	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2cc(F)cc(F)c2)CCCC1	ZINC000862217978	629324557	/nfs/dbraw/zinc/32/45/57/629324557.db2.gz	ZXSUHHAPBBEGHG-UHFFFAOYSA-N	-1	0	295.329	3.401	20	30		CGEDRM
CC(C)N(CCC#N)Cc1c([O-])ccc(Cl)c1F	ZINC000792167390	629344139	/nfs/dbraw/zinc/34/41/39/629344139.db2.gz	RZCNKIMFADTLTF-UHFFFAOYSA-N	-1	0	270.735	3.309	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc(OC(C)(C)C)cc1)C(=O)[O-]	ZINC000793077179	629408176	/nfs/dbraw/zinc/40/81/76/629408176.db2.gz	BFVWLPFMRGLAHX-AWEZNQCLSA-N	-1	0	292.379	3.041	20	30		CGEDRM
Cc1ccoc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000793654361	629493461	/nfs/dbraw/zinc/49/34/61/629493461.db2.gz	KBDXVOZWVSKNMP-GIDUJCDVSA-N	-1	0	294.694	3.474	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000794942949	629604280	/nfs/dbraw/zinc/60/42/80/629604280.db2.gz	TWERVUBXAMEUGH-ARJAWSKDSA-N	-1	0	290.344	3.120	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000864187801	629796077	/nfs/dbraw/zinc/79/60/77/629796077.db2.gz	OWCPOPVGUYJYQE-ZDUSSCGKSA-N	-1	0	279.380	3.049	20	30		CGEDRM
N#Cc1cccc(COC(=O)c2cc([S-])ccc2F)c1	ZINC000798723143	630093033	/nfs/dbraw/zinc/09/30/33/630093033.db2.gz	DCPXHTFHDDZIPG-UHFFFAOYSA-N	-1	0	287.315	3.343	20	30		CGEDRM
CSC1(CN=Nc2ccccc2C(=O)[O-])CCC1	ZINC000800808608	630300400	/nfs/dbraw/zinc/30/04/00/630300400.db2.gz	NGAMQWPRCFECDN-UHFFFAOYSA-N	-1	0	264.350	3.068	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CC[C@H](C)C1	ZINC000800815268	630301769	/nfs/dbraw/zinc/30/17/69/630301769.db2.gz	ROISRNKZBQQHCA-QWRGUYRKSA-N	-1	0	276.336	3.227	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccs2)c1	ZINC000806558831	630566616	/nfs/dbraw/zinc/56/66/16/630566616.db2.gz	NBGGJDLWSLLKQJ-VOTSOKGWSA-N	-1	0	258.298	3.342	20	30		CGEDRM
CC(C)(O)c1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000807943816	630607567	/nfs/dbraw/zinc/60/75/67/630607567.db2.gz	LLGBLQVZDOKFAG-UHFFFAOYSA-N	-1	0	298.342	3.058	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000811814291	631122737	/nfs/dbraw/zinc/12/27/37/631122737.db2.gz	IBUOFNBPDWMBSB-UHFFFAOYSA-N	-1	0	299.713	3.272	20	30		CGEDRM
C=CCCCN(C)C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811819975	631123131	/nfs/dbraw/zinc/12/31/31/631123131.db2.gz	YZIYNTXSVNORRT-UHFFFAOYSA-N	-1	0	281.739	3.076	20	30		CGEDRM
CC(CC(F)(F)F)N=Nc1cccc(C(=O)[O-])c1	ZINC000814687636	631624482	/nfs/dbraw/zinc/62/44/82/631624482.db2.gz	OJMWZCNWZLHUCE-UHFFFAOYSA-N	-1	0	260.215	3.125	20	30		CGEDRM
O=C([O-])C1CCC(=NNCc2ccc(Cl)cc2)CC1	ZINC000814875704	631662107	/nfs/dbraw/zinc/66/21/07/631662107.db2.gz	SOADFCQWQSXWBC-UHFFFAOYSA-N	-1	0	280.755	3.060	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)c1ccco1	ZINC000814887031	631665889	/nfs/dbraw/zinc/66/58/89/631665889.db2.gz	GLLRZNXCIMGVIY-UHFFFAOYSA-N	-1	0	288.303	3.213	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCC2CCCCC2)nc1	ZINC000814890118	631666867	/nfs/dbraw/zinc/66/68/67/631666867.db2.gz	IHPVPTCKDOGOTO-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NOCc1ccc(F)cc1	ZINC000814903352	631673303	/nfs/dbraw/zinc/67/33/03/631673303.db2.gz	FOIUHYMBQIWEEM-PWSUYJOCSA-N	-1	0	279.311	3.219	20	30		CGEDRM
C[C@@H]1CC(=NN[C@H]2CCCC2(C)C)CC[C@H]1C(=O)[O-]	ZINC000814916810	631679846	/nfs/dbraw/zinc/67/98/46/631679846.db2.gz	FKZXDNMDYURVGK-RTXFEEFZSA-N	-1	0	266.385	3.032	20	30		CGEDRM
CC1(C)CCCC[C@@H]1NN=C1CCC(C(=O)[O-])CC1	ZINC000814918058	631680908	/nfs/dbraw/zinc/68/09/08/631680908.db2.gz	ZLHFNSWOIOPNTE-YUZLPWPTSA-N	-1	0	266.385	3.176	20	30		CGEDRM
C[C@@H]1C(=NOC/C=C/Cl)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814933887	631688561	/nfs/dbraw/zinc/68/85/61/631688561.db2.gz	DPELQOMDPBEMEB-WGIDDPNGSA-N	-1	0	273.760	3.268	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NOCCC1CC1	ZINC000814941088	631693855	/nfs/dbraw/zinc/69/38/55/631693855.db2.gz	BBVMUXUWMWXUKH-UHFFFAOYSA-N	-1	0	257.692	3.335	20	30		CGEDRM
CCC(=NNCC(=O)[O-])c1ccc(Oc2ccccc2)cc1	ZINC000814958672	631698268	/nfs/dbraw/zinc/69/82/68/631698268.db2.gz	KDRNSZPLDLCPCK-UHFFFAOYSA-N	-1	0	298.342	3.267	20	30		CGEDRM
N#CC(=C([O-])C(F)=CC1CCCCC1)c1ccncn1	ZINC000816018886	631860433	/nfs/dbraw/zinc/86/04/33/631860433.db2.gz	SMJZMRZZNLFMNA-FMNNIJNLSA-N	-1	0	273.311	3.087	20	30		CGEDRM
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692221	633627482	/nfs/dbraw/zinc/62/74/82/633627482.db2.gz	YRUPTWMGQDOGCB-ZIAGYGMSSA-N	-1	0	298.367	3.142	20	30		CGEDRM
Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)O2	ZINC000832905339	634104435	/nfs/dbraw/zinc/10/44/35/634104435.db2.gz	DLPAMQBNPSGOEE-AUWJEWJLSA-N	-1	0	284.267	3.211	20	30		CGEDRM
COC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCCCC1	ZINC000835009482	634314077	/nfs/dbraw/zinc/31/40/77/634314077.db2.gz	TXIMMXFVYKHTOJ-UHFFFAOYSA-N	-1	0	294.326	3.271	20	30		CGEDRM
CCC(CC)CN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011528	634315888	/nfs/dbraw/zinc/31/58/88/634315888.db2.gz	HBENKWAZEGSNJY-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CCO[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840710848	635039612	/nfs/dbraw/zinc/03/96/12/635039612.db2.gz	SOHREDCAVYOTBX-UQMVFRFSSA-N	-1	0	292.335	3.067	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3C=C[C@@H]2CC3)cc1F	ZINC000842536670	635395730	/nfs/dbraw/zinc/39/57/30/635395730.db2.gz	WLLKQJKNHHAMEI-VHSXEESVSA-N	-1	0	274.295	3.278	20	30		CGEDRM
N#CC(=C([O-])C=CC1CC1)c1nc(C2CC2)cs1	ZINC000842941691	635522158	/nfs/dbraw/zinc/52/21/58/635522158.db2.gz	SQFXZUCNQUFJBK-UUSYTGMJSA-N	-1	0	258.346	3.163	20	30		CGEDRM
CC(C)Cn1nccc1C=CC(=O)c1sccc1[O-]	ZINC000843268992	635630087	/nfs/dbraw/zinc/63/00/87/635630087.db2.gz	PIIITXCVXOOSKP-ARJAWSKDSA-N	-1	0	276.361	3.202	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000127570145	635724002	/nfs/dbraw/zinc/72/40/02/635724002.db2.gz	IYIVDZAEXPTWKS-FSIMMPEJSA-N	-1	0	280.327	3.334	20	30		CGEDRM
CC[C@@H](C)[C@H](CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844624312	635945661	/nfs/dbraw/zinc/94/56/61/635945661.db2.gz	VTPZFEMTIRHDTI-YGRLFVJLSA-N	-1	0	278.352	3.152	20	30		CGEDRM
Cc1c(N=NC2CCC[C@@H]3C[C@@H]32)cccc1C(=O)[O-]	ZINC000844623693	635945740	/nfs/dbraw/zinc/94/57/40/635945740.db2.gz	QHJACYOFDBOFCB-PWSUYJOCSA-N	-1	0	258.321	3.281	20	30		CGEDRM
CC[C@H]1C[C@H](CN=Nc2cccc(C(=O)[O-])c2C)CCO1	ZINC000844625230	635946130	/nfs/dbraw/zinc/94/61/30/635946130.db2.gz	WYBRZMSFHRKADP-OLZOCXBDSA-N	-1	0	290.363	3.296	20	30		CGEDRM
C[C@H]1C[C@@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845833691	636104648	/nfs/dbraw/zinc/10/46/48/636104648.db2.gz	HUNOXPWRSJERSC-DLOVCJGASA-N	-1	0	287.384	3.174	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1csc(C2CCCCC2)n1	ZINC000846263637	636169360	/nfs/dbraw/zinc/16/93/60/636169360.db2.gz	POKPOJOFDYGDSW-UHFFFAOYSA-N	-1	0	294.420	3.263	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1C	ZINC000846540910	636196168	/nfs/dbraw/zinc/19/61/68/636196168.db2.gz	BNGMDNQZMKUPRA-MNOVXSKESA-N	-1	0	283.755	3.038	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1cccc(C(C)C)c1	ZINC000846551006	636200405	/nfs/dbraw/zinc/20/04/05/636200405.db2.gz	RZGRYIJDKUEZQJ-STQMWFEESA-N	-1	0	277.364	3.200	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1cc(C)ccc1Cl	ZINC000846551187	636200961	/nfs/dbraw/zinc/20/09/61/636200961.db2.gz	TYJLJCAFXKBUOF-MNOVXSKESA-N	-1	0	283.755	3.038	20	30		CGEDRM
C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(CC(=O)[O-])cc2)o1	ZINC000848416044	636571810	/nfs/dbraw/zinc/57/18/10/636571810.db2.gz	XBHIOVAZFHYWLE-ABAIWWIYSA-N	-1	0	298.342	3.476	20	30		CGEDRM
CCCCCCCCCC(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000107755116	636627333	/nfs/dbraw/zinc/62/73/33/636627333.db2.gz	YJAQQXDVJQEPAB-LBPRGKRZSA-N	-1	0	257.374	3.059	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2)s1	ZINC000007333290	636996850	/nfs/dbraw/zinc/99/68/50/636996850.db2.gz	APPLZABFLVSTSL-VOTSOKGWSA-N	-1	0	258.298	3.342	20	30		CGEDRM
N#CC(C(=O)CCCF)=C([O-])c1cc2c(s1)CCCC2	ZINC000851110508	637262062	/nfs/dbraw/zinc/26/20/62/637262062.db2.gz	ZHLCBEZXPCCPCS-LLVKDONJSA-N	-1	0	293.363	3.268	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCOCCF	ZINC000852999334	637728820	/nfs/dbraw/zinc/72/88/20/637728820.db2.gz	ZKWCFHLAIPJFDR-VIZOYTHASA-N	-1	0	280.126	3.104	20	30		CGEDRM
CCCn1nccc1/C=C\C(=O)c1cc(C)ccc1O	ZINC000853007074	637729396	/nfs/dbraw/zinc/72/93/96/637729396.db2.gz	OITPZOXVOVLHSY-ALCCZGGFSA-N	-1	0	270.332	3.203	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CC2(Cl)Cl)cc1F	ZINC000853354262	637822191	/nfs/dbraw/zinc/82/21/91/637822191.db2.gz	BTLKMKRUWYZWGQ-ZCFIWIBFSA-N	-1	0	291.109	3.115	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(c3ccccc3)CC2)c1	ZINC000011115000	638262765	/nfs/dbraw/zinc/26/27/65/638262765.db2.gz	GMRIZDBZNSSPPS-WOJGMQOQSA-N	-1	0	296.326	3.451	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccccc2F)CCCC1	ZINC000856030106	638287591	/nfs/dbraw/zinc/28/75/91/638287591.db2.gz	PHSHMHGZVVNZLA-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)c1cccc(Cl)c1F	ZINC000856033592	638288363	/nfs/dbraw/zinc/28/83/63/638288363.db2.gz	JNTSOKYWGVCTRZ-UHFFFAOYSA-N	-1	0	285.746	3.381	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)cc1C	ZINC000042274079	639915500	/nfs/dbraw/zinc/91/55/00/639915500.db2.gz	UAIMPQFAGLKHHF-CYBMUJFWSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)C(C)C	ZINC000076910621	640223573	/nfs/dbraw/zinc/22/35/73/640223573.db2.gz	SEANHTCBZAGTRO-CQSZACIVSA-N	-1	0	297.420	3.369	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC(C)(C)C	ZINC000077880338	640266175	/nfs/dbraw/zinc/26/61/75/640266175.db2.gz	APTRXEJMVQNVFH-LLVKDONJSA-N	-1	0	283.393	3.470	20	30		CGEDRM
C=C[C@@H](Sc1ccccc1Br)C(=O)[O-]	ZINC000300814302	963033109	/nfs/dbraw/zinc/03/31/09/963033109.db2.gz	AUXYVHRNFUSDGJ-MRVPVSSYSA-N	-1	0	273.151	3.180	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cccc3cnsc32)c(O)c1	ZINC001156667978	805724119	/nfs/dbraw/zinc/72/41/19/805724119.db2.gz	MFCQIEVKFCSQEQ-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
CCn1c2ccc(F)cc2nc1-c1cc(C#N)ccc1[O-]	ZINC001251180164	805859229	/nfs/dbraw/zinc/85/92/29/805859229.db2.gz	GRCTWTRXIDHVOG-UHFFFAOYSA-N	-1	0	281.290	3.440	20	30		CGEDRM
Cc1ccc2[nH]c(-c3cc(C#N)ccc3[O-])nc2c1F	ZINC001251180308	805859695	/nfs/dbraw/zinc/85/96/95/805859695.db2.gz	NWEHJVFNMADWJD-UHFFFAOYSA-N	-1	0	267.263	3.255	20	30		CGEDRM
CC(=O)c1ccc2c(c1)nc(-c1cc(C#N)ccc1[O-])n2C	ZINC001251180480	805860033	/nfs/dbraw/zinc/86/00/33/805860033.db2.gz	YAMQHLCLEFPBNY-UHFFFAOYSA-N	-1	0	291.310	3.020	20	30		CGEDRM
N#Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)ccc1[O-]	ZINC001252261074	806034131	/nfs/dbraw/zinc/03/41/31/806034131.db2.gz	ZHVROIMALATTAW-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
N#Cc1ccc(-c2nnc(-c3ccc(F)cc3)o2)c([O-])c1	ZINC001252267851	806035303	/nfs/dbraw/zinc/03/53/03/806035303.db2.gz	YKKLKQILTCZOBF-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
COc1cc(O)ccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC001252850760	806131331	/nfs/dbraw/zinc/13/13/31/806131331.db2.gz	CIYNCSBYPQFZJF-UTCJRWHESA-N	-1	0	288.274	3.142	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1cccc(C)c1Cl)C(=O)[O-]	ZINC000316441713	799240956	/nfs/dbraw/zinc/24/09/56/799240956.db2.gz	KNAFOPXVNOFJIV-NSHDSACASA-N	-1	0	296.754	3.189	20	30		CGEDRM
N#Cc1ccc(CNc2ccccc2C(=O)[O-])cc1F	ZINC000404211744	799574579	/nfs/dbraw/zinc/57/45/79/799574579.db2.gz	VWYJBFYTAFAEGD-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
O=C(C=Cc1cccc2c1OCO2)c1sccc1[O-]	ZINC000588495743	799701509	/nfs/dbraw/zinc/70/15/09/799701509.db2.gz	JCQIDWORRHQHEH-PLNGDYQASA-N	-1	0	274.297	3.079	20	30		CGEDRM
CCN(C)c1ccc(/C=C\C(=O)c2ccccc2[O-])cn1	ZINC000588579660	799717290	/nfs/dbraw/zinc/71/72/90/799717290.db2.gz	XIZQPWAJKMWKQV-NTMALXAHSA-N	-1	0	282.343	3.139	20	30		CGEDRM
CC(C)n1cc(C=CC(=O)c2sccc2[O-])cn1	ZINC000588599257	799720026	/nfs/dbraw/zinc/72/00/26/799720026.db2.gz	VBINCRPXWWJJHJ-ARJAWSKDSA-N	-1	0	262.334	3.127	20	30		CGEDRM
C[C@@H]1Oc2ccccc2[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000809143391	800411150	/nfs/dbraw/zinc/41/11/50/800411150.db2.gz	QDEYTDWZXXUELG-OQIULSQXSA-N	-1	0	298.298	3.242	20	30		CGEDRM
Cc1cccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000809152877	800412728	/nfs/dbraw/zinc/41/27/28/800412728.db2.gz	MBQFNZXAWHKBQK-FNORWQNLSA-N	-1	0	282.295	3.295	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\Cc3cc(F)ccc3C2=O)ccc1O	ZINC000809153670	800413776	/nfs/dbraw/zinc/41/37/76/800413776.db2.gz	BGJOFQOPQWESGZ-VZUCSPMQSA-N	-1	0	298.269	3.052	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000809154369	800413830	/nfs/dbraw/zinc/41/38/30/800413830.db2.gz	UCROFSNXGSSIKS-GORDUTHDSA-N	-1	0	298.294	3.001	20	30		CGEDRM
CCCCCCC[C@@H](CCC)N[C@H]1SC(=O)[N-]C1=O	ZINC001172501392	808358139	/nfs/dbraw/zinc/35/81/39/808358139.db2.gz	HFJXGYFADCRKDZ-YPMHNXCESA-N	-1	0	286.441	3.414	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])s2)cn1	ZINC001174805745	809166431	/nfs/dbraw/zinc/16/64/31/809166431.db2.gz	XGEVXGPASGAKMK-UHFFFAOYSA-N	-1	0	287.344	3.386	20	30		CGEDRM
CC(=NN[C@H]1CCCSC1)[C@@H](C)CCCCC(=O)[O-]	ZINC001119362734	802654929	/nfs/dbraw/zinc/65/49/29/802654929.db2.gz	IDCCXZCAHHVAOV-AAEUAGOBSA-N	-1	0	286.441	3.129	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(CS)cc2)c1	ZINC001244177991	803227879	/nfs/dbraw/zinc/22/78/79/803227879.db2.gz	SSFYBYLZQAMFKO-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(CCC(=O)[O-])cc1	ZINC001244190724	803235099	/nfs/dbraw/zinc/23/50/99/803235099.db2.gz	INUXCCSJKGMBKA-UHFFFAOYSA-N	-1	0	281.311	3.273	20	30		CGEDRM
O=C([O-])CCc1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1	ZINC001244191517	803236282	/nfs/dbraw/zinc/23/62/82/803236282.db2.gz	QKYXSWPXMRIHHC-ZPHPHTNESA-N	-1	0	295.338	3.495	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(C)n1	ZINC001244417228	803359633	/nfs/dbraw/zinc/35/96/33/803359633.db2.gz	BWGGVCZVDMANGA-UHFFFAOYSA-N	-1	0	296.326	3.220	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1nccc(C)c1C#N	ZINC001244417968	803360540	/nfs/dbraw/zinc/36/05/40/803360540.db2.gz	ISAXNXOHBXLHPH-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cccc(F)c1C#N	ZINC001244420922	803361510	/nfs/dbraw/zinc/36/15/10/803361510.db2.gz	UOUZEUYQLXVXJD-UHFFFAOYSA-N	-1	0	285.274	3.461	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cccc(/C=N/O)c1	ZINC001244421899	803362710	/nfs/dbraw/zinc/36/27/10/803362710.db2.gz	OECXNSYVVVUXNZ-LICLKQGHSA-N	-1	0	285.299	3.259	20	30		CGEDRM
COc1cc(C#N)cnc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244500110	803406595	/nfs/dbraw/zinc/40/65/95/803406595.db2.gz	JFRBLCZGDSBMFM-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#Cc1cncc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)n1	ZINC001244514196	803412601	/nfs/dbraw/zinc/41/26/01/803412601.db2.gz	XWHPTZLSWQKJNW-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1c(Cl)ccc([O-])c1F	ZINC001244539304	803426565	/nfs/dbraw/zinc/42/65/65/803426565.db2.gz	VEPIRMBKOPSLNN-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
COc1nc(-c2c(Cl)ccc([O-])c2F)c(F)cc1C#N	ZINC001244540216	803428689	/nfs/dbraw/zinc/42/86/89/803428689.db2.gz	KFRODQWQCFPLNO-UHFFFAOYSA-N	-1	0	296.660	3.266	20	30		CGEDRM
Cc1c(C#N)cccc1-c1nc[n-]c2nc(=S)sc1-2	ZINC001244814393	803533394	/nfs/dbraw/zinc/53/33/94/803533394.db2.gz	XZHKMRUHVSYMEJ-UHFFFAOYSA-N	-1	0	284.369	3.222	20	30		CGEDRM
Cc1cc(-c2cccc(CC#N)n2)cc(C)c1C(=O)[O-]	ZINC001244944551	803585850	/nfs/dbraw/zinc/58/58/50/803585850.db2.gz	JOONRSYTYOOWSY-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1cc(-c2nccc(C#N)c2C)cc(C)c1C(=O)[O-]	ZINC001244946297	803586378	/nfs/dbraw/zinc/58/63/78/803586378.db2.gz	ZJXTXRQZJGUXJR-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COc1c(F)c(F)ccc1Nc1scc([O-])c1C#N	ZINC001211889345	814951873	/nfs/dbraw/zinc/95/18/73/814951873.db2.gz	OSKGQUMFBVKVMY-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
[O-]/N=C/c1cc(C2=CCCOC2)cc(C(F)(F)F)c1	ZINC001245162489	803656087	/nfs/dbraw/zinc/65/60/87/803656087.db2.gz	XBALEKRPNDCKEK-REZTVBANSA-N	-1	0	271.238	3.317	20	30		CGEDRM
Cc1cnc(-c2cc(Cl)c([O-])cc2F)cc1C#N	ZINC001245670693	803901252	/nfs/dbraw/zinc/90/12/52/803901252.db2.gz	WGKDYRADZVUZTL-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1nc(-c2c(F)ccc([O-])c2Cl)ccc1C#N	ZINC001245830727	803984425	/nfs/dbraw/zinc/98/44/25/803984425.db2.gz	VJFCRIXGGGRIGZ-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
CCC(CC)n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245932554	804063604	/nfs/dbraw/zinc/06/36/04/804063604.db2.gz	HTJYJVNTJQMGEH-UHFFFAOYSA-N	-1	0	255.321	3.488	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3cc(F)cc(F)c3)[n-]2)cc1	ZINC001245937841	804069515	/nfs/dbraw/zinc/06/95/15/804069515.db2.gz	WTZNEFCTFKTPCM-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2c(C)cc(C)cc2C)[nH]1	ZINC001245952148	804085547	/nfs/dbraw/zinc/08/55/47/804085547.db2.gz	QXODHUABHURRRR-UHFFFAOYSA-N	-1	0	254.333	3.069	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)cc(F)c1O	ZINC001212481704	815035674	/nfs/dbraw/zinc/03/56/74/815035674.db2.gz	FMDOECBDIADFTD-UHFFFAOYSA-N	-1	0	268.244	3.053	20	30		CGEDRM
Cc1ccc([C@H](C)C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001144456235	804991532	/nfs/dbraw/zinc/99/15/32/804991532.db2.gz	ZQKWDFVEKIJXOY-NSHDSACASA-N	-1	0	298.317	3.454	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Cc1cccc(C#N)c1	ZINC001250050623	805389215	/nfs/dbraw/zinc/38/92/15/805389215.db2.gz	ARKBVAHONPMLCD-UHFFFAOYSA-N	-1	0	281.311	3.246	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001173864914	808723487	/nfs/dbraw/zinc/72/34/87/808723487.db2.gz	JZNNLWSVJDBFQV-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
Cn1cnc2ccc(Nc3cc(C#N)c(F)cc3[O-])cc21	ZINC001174349944	808971396	/nfs/dbraw/zinc/97/13/96/808971396.db2.gz	LISWIWCPPRLXFR-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496571	809043142	/nfs/dbraw/zinc/04/31/42/809043142.db2.gz	NHGLCLATNJTESC-BQYQJAHWSA-N	-1	0	289.294	3.271	20	30		CGEDRM
N#Cc1cc(Nc2ccc3cn[nH]c3c2)c([O-])cc1F	ZINC001174500868	809049206	/nfs/dbraw/zinc/04/92/06/809049206.db2.gz	AFBHZMHGDJXYBO-UHFFFAOYSA-N	-1	0	268.251	3.023	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(C(=O)[O-])c(OC)c2)c1	ZINC001174685001	809129835	/nfs/dbraw/zinc/12/98/35/809129835.db2.gz	KTRGVLRFISLCFS-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
COCc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001174919000	809199339	/nfs/dbraw/zinc/19/93/39/809199339.db2.gz	WDMQBPXNQZRILA-UHFFFAOYSA-N	-1	0	260.318	3.215	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ncc(C#N)cc1Cl	ZINC001174981670	809224722	/nfs/dbraw/zinc/22/47/22/809224722.db2.gz	NJOCIOZBGGFVCI-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cc(Nc2c(F)cc(O)cc2F)c([O-])cc1F	ZINC001175099355	809270059	/nfs/dbraw/zinc/27/00/59/809270059.db2.gz	BTSSRZSRWKZAHA-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175157801	809291566	/nfs/dbraw/zinc/29/15/66/809291566.db2.gz	UDXUUXRMLNIRML-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001175161997	809293480	/nfs/dbraw/zinc/29/34/80/809293480.db2.gz	QHINVYANPRNZSA-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175218586	809311781	/nfs/dbraw/zinc/31/17/81/809311781.db2.gz	GXLHGGUZLOSNJB-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175220642	809313189	/nfs/dbraw/zinc/31/31/89/809313189.db2.gz	UQHXOKGEFBZSIF-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ncc(Nc2cccc(C(=O)[O-])c2)cc1Cl	ZINC001175329026	809356461	/nfs/dbraw/zinc/35/64/61/809356461.db2.gz	QXZXXHUIAVMBLU-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2)c(C#N)c1	ZINC001175330054	809357532	/nfs/dbraw/zinc/35/75/32/809357532.db2.gz	YXJUEZNVSUNMQR-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cccc(C(=O)[O-])c1	ZINC001175329738	809357650	/nfs/dbraw/zinc/35/76/50/809357650.db2.gz	SOQMXDNZTBJKMU-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2)cc1C#N	ZINC001175329763	809357857	/nfs/dbraw/zinc/35/78/57/809357857.db2.gz	VBFTYXBBCWXLLE-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001175684200	809504187	/nfs/dbraw/zinc/50/41/87/809504187.db2.gz	FTNXAPPVJPOTRD-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1Nc1cncc(C(=O)[O-])c1	ZINC001175841562	809553595	/nfs/dbraw/zinc/55/35/95/809553595.db2.gz	LVMIJIVUNDWDOL-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
CC(C)(C#N)c1cccc(Nc2cncc(C(=O)[O-])c2)c1	ZINC001175842672	809554405	/nfs/dbraw/zinc/55/44/05/809554405.db2.gz	DZTLVSURXMGAHO-UHFFFAOYSA-N	-1	0	281.315	3.325	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cc(OC)cc(C(=O)[O-])c2)c1	ZINC001213592537	815307916	/nfs/dbraw/zinc/30/79/16/815307916.db2.gz	IQJWDORKNXALPR-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
C#CCOc1ccc(Nc2cc(OC)cc(C(=O)[O-])c2)cc1	ZINC001213595320	815308175	/nfs/dbraw/zinc/30/81/75/815308175.db2.gz	YRGZKLSJEHYWEX-UHFFFAOYSA-N	-1	0	297.310	3.149	20	30		CGEDRM
COc1cc(Nc2ccccc2CC#N)cc(C(=O)[O-])c1	ZINC001213595201	815308320	/nfs/dbraw/zinc/30/83/20/815308320.db2.gz	SFDJXMPPJLRGTK-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
N#Cc1cc(F)c(Nc2csc(C(=O)[O-])c2)cc1F	ZINC001176439241	809698460	/nfs/dbraw/zinc/69/84/60/809698460.db2.gz	MQOTUKLZHDTBFC-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1C#N	ZINC001176712425	809746706	/nfs/dbraw/zinc/74/67/06/809746706.db2.gz	YFFPGGLHWXCKCO-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213629564	815313547	/nfs/dbraw/zinc/31/35/47/815313547.db2.gz	FYMWEGRXNUDCNH-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
CC(C)c1cccnc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184240851	810184414	/nfs/dbraw/zinc/18/44/14/810184414.db2.gz	FXVCLULWGQLXEM-UHFFFAOYSA-N	-1	0	283.351	3.193	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1nc(C2CC2)cs1	ZINC001184241622	810185470	/nfs/dbraw/zinc/18/54/70/810185470.db2.gz	QJJOYBAFZHTUGA-UHFFFAOYSA-N	-1	0	287.364	3.009	20	30		CGEDRM
N#Cc1c2ccccc2sc1[N-]S(=O)(=O)C1CCC1	ZINC001188104891	810454047	/nfs/dbraw/zinc/45/40/47/810454047.db2.gz	MHYWWKKPENEQGU-UHFFFAOYSA-N	-1	0	292.385	3.067	20	30		CGEDRM
COc1ccc(C#N)c(C(=O)Nc2ccccc2[S-])c1	ZINC001189084476	810541336	/nfs/dbraw/zinc/54/13/36/810541336.db2.gz	OXGSZJHBXYNVCE-UHFFFAOYSA-N	-1	0	284.340	3.108	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)CC1	ZINC001190806445	810649605	/nfs/dbraw/zinc/64/96/05/810649605.db2.gz	AQHHMGXCORZRSZ-UHFFFAOYSA-N	-1	0	296.779	3.062	20	30		CGEDRM
Cc1ccc(F)cc1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001191411564	810712036	/nfs/dbraw/zinc/71/20/36/810712036.db2.gz	RMINWQIMFRHIPF-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1ccc([O-])c(C#N)c1)C2(C)C	ZINC001193519103	810902305	/nfs/dbraw/zinc/90/23/05/810902305.db2.gz	QLGKHDBARRLJAO-BSLXNSKLSA-N	-1	0	298.386	3.064	20	30		CGEDRM
CN(C(=O)c1cccc(C#N)c1[O-])[C@H]1CCc2ccccc21	ZINC001193647083	810927569	/nfs/dbraw/zinc/92/75/69/810927569.db2.gz	VAQQJUGOPNQBLF-INIZCTEOSA-N	-1	0	292.338	3.023	20	30		CGEDRM
CC(C)C[C@](C)(C#N)NC(=O)c1cc(Cl)c(F)cc1[O-]	ZINC001196477986	811347980	/nfs/dbraw/zinc/34/79/80/811347980.db2.gz	LIGNQLODKGUOFS-CQSZACIVSA-N	-1	0	298.745	3.243	20	30		CGEDRM
N#Cc1ccnc(Nc2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001214736277	815447282	/nfs/dbraw/zinc/44/72/82/815447282.db2.gz	PWEDDCOTCLNPAW-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
C=CCNC(=S)Nc1c([S-])cccc1Cl	ZINC001200294597	811671748	/nfs/dbraw/zinc/67/17/48/811671748.db2.gz	OIUPISVTUBIAAI-UHFFFAOYSA-N	-1	0	258.799	3.101	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215111151	815483501	/nfs/dbraw/zinc/48/35/01/815483501.db2.gz	CNNQQQNNRCVLNT-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001215274175	815501549	/nfs/dbraw/zinc/50/15/49/815501549.db2.gz	LGHJCNCZNDKEAK-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)nc1	ZINC001215341248	815508092	/nfs/dbraw/zinc/50/80/92/815508092.db2.gz	SUWAQCXABQKUCH-UHFFFAOYSA-N	-1	0	298.689	3.029	20	30		CGEDRM
Cc1cccc(Nc2ccsc2C(=O)[O-])c1C#N	ZINC001215391818	815514842	/nfs/dbraw/zinc/51/48/42/815514842.db2.gz	NPEGDRLQZDHZNA-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccsc1C(=O)[O-]	ZINC001215397906	815516452	/nfs/dbraw/zinc/51/64/52/815516452.db2.gz	SFEGMFQBQJZWCL-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1coc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001203323034	812313002	/nfs/dbraw/zinc/31/30/02/812313002.db2.gz	OQQFLTDDDSPIBA-UHFFFAOYSA-N	-1	0	278.214	3.180	20	30		CGEDRM
C#Cc1ccccc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215468019	815522579	/nfs/dbraw/zinc/52/25/79/815522579.db2.gz	UJPJTJWFHFCHOT-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
CCc1nc(OC)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001203590779	812403747	/nfs/dbraw/zinc/40/37/47/812403747.db2.gz	YKDSIRAFXAXOIL-UHFFFAOYSA-N	-1	0	287.294	3.113	20	30		CGEDRM
N#CCc1cc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1C#N	ZINC001205096131	812863866	/nfs/dbraw/zinc/86/38/66/812863866.db2.gz	YLLMRIJGVIVKCB-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#CC1(c2ccc(-c3ccsc3C(=O)[O-])nc2)CCC1	ZINC001205378857	812975653	/nfs/dbraw/zinc/97/56/53/812975653.db2.gz	XBONQHWJVWGUSN-UHFFFAOYSA-N	-1	0	284.340	3.454	20	30		CGEDRM
Cc1ccc(F)c(Nc2scc([O-])c2C#N)c1O	ZINC001215738610	815570382	/nfs/dbraw/zinc/57/03/82/815570382.db2.gz	MQZFBVPKGGAPJH-UHFFFAOYSA-N	-1	0	264.281	3.222	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccsc2C(=O)[O-])c1F	ZINC001205610283	813023070	/nfs/dbraw/zinc/02/30/70/813023070.db2.gz	SBIWPIVXAVJXKM-UHFFFAOYSA-N	-1	0	265.240	3.263	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)cc1C#N	ZINC001206038607	813176933	/nfs/dbraw/zinc/17/69/33/813176933.db2.gz	IQZZVGOLYUOCGP-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#Cc1cc(-c2csc(C(=O)[O-])c2)nc(C(F)(F)F)c1	ZINC001206249772	813256454	/nfs/dbraw/zinc/25/64/54/813256454.db2.gz	DKRRDPBDGUHHPP-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CC1(c2ccc(-c3csc(C(=O)[O-])c3)nc2)CCC1	ZINC001206250375	813256579	/nfs/dbraw/zinc/25/65/79/813256579.db2.gz	LODCQRXGRBYIBV-UHFFFAOYSA-N	-1	0	284.340	3.454	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cc(F)c([O-])cc3F)nc2c1	ZINC001206768180	813430314	/nfs/dbraw/zinc/43/03/14/813430314.db2.gz	PQSVJDQNTSZYOO-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(F)c1F	ZINC001209890646	814190511	/nfs/dbraw/zinc/19/05/11/814190511.db2.gz	RUTRIBTXUUUWIH-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890461	814190582	/nfs/dbraw/zinc/19/05/82/814190582.db2.gz	NPDAAQLKUAQKMW-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
COc1ccc(Nc2cc(F)ccc2C#N)cc1C(=O)[O-]	ZINC001209903399	814195305	/nfs/dbraw/zinc/19/53/05/814195305.db2.gz	LKIKGBAZYJMXHG-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)c(C)c2)cc1C(=O)[O-]	ZINC001209903657	814195550	/nfs/dbraw/zinc/19/55/50/814195550.db2.gz	YNVFCEJLYPJRNX-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(N)cc1C#N	ZINC001210007339	814239392	/nfs/dbraw/zinc/23/93/92/814239392.db2.gz	LRXHMBSULHNHFP-UHFFFAOYSA-N	-1	0	285.278	3.030	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cccc(CC(=O)[O-])c2)s1	ZINC001210068303	814272401	/nfs/dbraw/zinc/27/24/01/814272401.db2.gz	SBFLYPNFMCYBAP-UHFFFAOYSA-N	-1	0	272.329	3.299	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1cccc(CC(=O)[O-])c1	ZINC001210072456	814274382	/nfs/dbraw/zinc/27/43/82/814274382.db2.gz	YYEPUVAKTUAWOC-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
N#Cc1cccc(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210240171	814360330	/nfs/dbraw/zinc/36/03/30/814360330.db2.gz	NUCFOAWATNZHEQ-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210395314	814441774	/nfs/dbraw/zinc/44/17/74/814441774.db2.gz	UADHHYBHLCMKKC-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC001210397630	814443537	/nfs/dbraw/zinc/44/35/37/814443537.db2.gz	DWLMLTVHAOCURP-UHFFFAOYSA-N	-1	0	287.250	3.363	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccnc1OC(F)F	ZINC001210622013	814560347	/nfs/dbraw/zinc/56/03/47/814560347.db2.gz	NTMQURUNAWZOKI-UHFFFAOYSA-N	-1	0	283.259	3.065	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)ccc1C#N	ZINC001210805868	814636651	/nfs/dbraw/zinc/63/66/51/814636651.db2.gz	KWANRQBNUZORDN-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1cccc([O-])c1Cl	ZINC001210854037	814652605	/nfs/dbraw/zinc/65/26/05/814652605.db2.gz	WCXJRLYGJUPZFY-UHFFFAOYSA-N	-1	0	276.727	3.438	20	30		CGEDRM
Cn1cnc(C#N)c1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210926203	814678320	/nfs/dbraw/zinc/67/83/20/814678320.db2.gz	GLWBXHBEYXKXSW-UHFFFAOYSA-N	-1	0	283.118	3.048	20	30		CGEDRM
N#Cc1cnn(-c2ccccn2)c1Nc1cccc([S-])c1	ZINC001210945221	814684940	/nfs/dbraw/zinc/68/49/40/814684940.db2.gz	KWQIVXDRUXIWHK-UHFFFAOYSA-N	-1	0	293.355	3.171	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2ccc(F)c([N+](=O)[O-])c2)c1	ZINC001211193336	814845312	/nfs/dbraw/zinc/84/53/12/814845312.db2.gz	QOMKJFLAEDWTJT-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
Cc1cnc(Nc2cc(C)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001211539387	814904087	/nfs/dbraw/zinc/90/40/87/814904087.db2.gz	USYBFPHERAOBSZ-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)cnc2C)cc(C(=O)[O-])c1	ZINC001211539215	814904130	/nfs/dbraw/zinc/90/41/30/814904130.db2.gz	LVBZVLCNCKFORG-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc(Nc2c(C#N)cnn2C(C)(C)C)cc1C(=O)[O-]	ZINC001211594460	814914082	/nfs/dbraw/zinc/91/40/82/814914082.db2.gz	WIEPFXYQXYIUFE-UHFFFAOYSA-N	-1	0	298.346	3.260	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccc(C(=O)[O-])cc2C)c1	ZINC001211624688	814920807	/nfs/dbraw/zinc/92/08/07/814920807.db2.gz	QMVGDONETGOCTJ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CN(C)c1cc(F)cc(Nc2scc([O-])c2C#N)c1	ZINC001216160043	815716126	/nfs/dbraw/zinc/71/61/26/815716126.db2.gz	SMUUWPSEYDSMOV-UHFFFAOYSA-N	-1	0	277.324	3.274	20	30		CGEDRM
Cc1cc(Cl)ncc1Nc1scc([O-])c1C#N	ZINC001216278062	815765306	/nfs/dbraw/zinc/76/53/06/815765306.db2.gz	RHLBNELLQWRDQV-UHFFFAOYSA-N	-1	0	265.725	3.426	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-n1ccc2c1cc(C#N)cc2N	ZINC001216661274	815887380	/nfs/dbraw/zinc/88/73/80/815887380.db2.gz	DTJPAVIQFDGHSO-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1cccc(C(=O)[O-])c1C	ZINC001216659869	815887447	/nfs/dbraw/zinc/88/74/47/815887447.db2.gz	XJLMIMYJGILPDS-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cccc(C(=O)[O-])c1C	ZINC001216661787	815888533	/nfs/dbraw/zinc/88/85/33/815888533.db2.gz	QYLGONGALCTHTJ-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
COc1cccc(Nc2cccc(C(=O)[O-])c2C)c1C#N	ZINC001216662064	815888813	/nfs/dbraw/zinc/88/88/13/815888813.db2.gz	XIXLVKZSPOWQBA-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1ccsc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216677031	815891339	/nfs/dbraw/zinc/89/13/39/815891339.db2.gz	PKGHYQFHPSFRCV-UHFFFAOYSA-N	-1	0	276.292	3.130	20	30		CGEDRM
Cc1cc(Nc2cc(CC(=O)[O-])ccc2F)ccc1C#N	ZINC001216681642	815892466	/nfs/dbraw/zinc/89/24/66/815892466.db2.gz	HMYAMPFGZSZYMD-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216683603	815893029	/nfs/dbraw/zinc/89/30/29/815893029.db2.gz	RJIONLIYOXDNJA-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C2(C#N)CC2)ccn1	ZINC001242920217	823171964	/nfs/dbraw/zinc/17/19/64/823171964.db2.gz	OZFDVSOHFXKNAY-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ccco1	ZINC001223891287	816699160	/nfs/dbraw/zinc/69/91/60/816699160.db2.gz	SNFVHFSUQRDWPH-BOXWDGHTSA-N	-1	0	267.231	3.471	20	30		CGEDRM
CCCC[C@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891542	816699281	/nfs/dbraw/zinc/69/92/81/816699281.db2.gz	MSYZMAPPGNQJFD-YOJQOHNYSA-N	-1	0	281.352	3.435	20	30		CGEDRM
C=C(C)C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)C(=C)C	ZINC001225562383	817093571	/nfs/dbraw/zinc/09/35/71/817093571.db2.gz	HXMSXPWQEYAHBH-SECBINFHSA-N	-1	0	254.717	3.125	20	30		CGEDRM
CCC[C@@H](C)[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008150	817247016	/nfs/dbraw/zinc/24/70/16/817247016.db2.gz	FKDSSCRBJOQHGU-SKDRFNHKSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CCC[C@H](C)[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008148	817247083	/nfs/dbraw/zinc/24/70/83/817247083.db2.gz	FKDSSCRBJOQHGU-CABZTGNLSA-N	-1	0	266.316	3.392	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc(F)c(F)c1	ZINC001226008195	817247286	/nfs/dbraw/zinc/24/72/86/817247286.db2.gz	GBPAPBCQEZOGMQ-ZETCQYMHSA-N	-1	0	294.232	3.216	20	30		CGEDRM
C[C@@H]1CC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C[C@H]1C	ZINC001226009653	817248075	/nfs/dbraw/zinc/24/80/75/817248075.db2.gz	ZDMCWHHUAFIHIY-KKZNHRDASA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013870	817249370	/nfs/dbraw/zinc/24/93/70/817249370.db2.gz	SBHAJCQREFQEHE-SKDRFNHKSA-N	-1	0	264.300	3.146	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226014248	817249704	/nfs/dbraw/zinc/24/97/04/817249704.db2.gz	UNSFWDVYCVUOTD-BXUZGUMPSA-N	-1	0	288.322	3.478	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(C#N)cc2C#N)c1	ZINC001243178192	823275306	/nfs/dbraw/zinc/27/53/06/823275306.db2.gz	OVZMFFQJRHGXBM-UHFFFAOYSA-N	-1	0	262.268	3.104	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1[nH]ccc2ncc(C#N)c1-2	ZINC001243200807	823287752	/nfs/dbraw/zinc/28/77/52/823287752.db2.gz	OPBQBXPFVQGFPN-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2cc(Br)ccc21	ZINC001228062440	817799596	/nfs/dbraw/zinc/79/95/96/817799596.db2.gz	NLQHNWWSKGMYNQ-ZETCQYMHSA-N	-1	0	295.136	3.051	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2C)cc1C#N	ZINC001243203139	823289269	/nfs/dbraw/zinc/28/92/69/823289269.db2.gz	KSJZISDSZFJQJY-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C#C[C@@H](Oc1[n-]ncc(=O)c1Cl)[C@@H](CC)CCCC	ZINC001228387349	817895399	/nfs/dbraw/zinc/89/53/99/817895399.db2.gz	NJHZYEFHGHKXDO-CMPLNLGQSA-N	-1	0	282.771	3.433	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231265058	818067825	/nfs/dbraw/zinc/06/78/25/818067825.db2.gz	WDBOYORDNMXEOI-SNVBAGLBSA-N	-1	0	266.297	3.127	20	30		CGEDRM
C[C@@H](C#N)N(C)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232629334	818405153	/nfs/dbraw/zinc/40/51/53/818405153.db2.gz	OESAIYDNFMWZCC-ZETCQYMHSA-N	-1	0	259.136	3.043	20	30		CGEDRM
Cc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)ncc1C#N	ZINC001243322831	823346886	/nfs/dbraw/zinc/34/68/86/823346886.db2.gz	ORQULTLSZZFSEK-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835148	818715137	/nfs/dbraw/zinc/71/51/37/818715137.db2.gz	UWNILQLFZVWFKG-VIFPVBQESA-N	-1	0	294.372	3.364	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H](C)CC[C@H]2C)c1C#N	ZINC001233915558	818729989	/nfs/dbraw/zinc/72/99/89/818729989.db2.gz	MNHFSNPFQYSUCT-OPQQBVKSSA-N	-1	0	260.337	3.171	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N	ZINC001233919340	818730663	/nfs/dbraw/zinc/73/06/63/818730663.db2.gz	IDALKCKOKUWLIS-IRUJWGPZSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=C1O[C@@H](C)C(=O)C1Oc1ccc2[n-]c(=S)sc2c1	ZINC001234424125	818851201	/nfs/dbraw/zinc/85/12/01/818851201.db2.gz	IMFVGIAOYDTACD-LURJTMIESA-N	-1	0	293.369	3.183	20	30		CGEDRM
C=C[C@H](CCCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234512364	818870285	/nfs/dbraw/zinc/87/02/85/818870285.db2.gz	CNVNOYINCMWOHO-GFCCVEGCSA-N	-1	0	283.331	3.331	20	30		CGEDRM
CC(C)Oc1cncc(COc2ccccc2C=N[O-])c1	ZINC001234818566	818925851	/nfs/dbraw/zinc/92/58/51/818925851.db2.gz	BKWUNBJHVFYGTG-UHFFFAOYSA-N	-1	0	286.331	3.256	20	30		CGEDRM
O=C([O-])C1(c2ccc(-c3ccccc3C=NO)cc2)CC1	ZINC001235028591	818983084	/nfs/dbraw/zinc/98/30/84/818983084.db2.gz	LVSRYDIHUOCFFA-UHFFFAOYSA-N	-1	0	281.311	3.278	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(/C=C/C(=O)[O-])cc2)nc1C	ZINC001235077966	818996214	/nfs/dbraw/zinc/99/62/14/818996214.db2.gz	NWVIVGUDEWLOQB-VMPITWQZSA-N	-1	0	278.311	3.335	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235671159	819134129	/nfs/dbraw/zinc/13/41/29/819134129.db2.gz	XHMMFHBXWYOHJL-RUDMXATFSA-N	-1	0	297.285	3.471	20	30		CGEDRM
Cc1cc(-c2c(F)cc(F)c([O-])c2F)nc(C)c1C#N	ZINC001235995104	819263717	/nfs/dbraw/zinc/26/37/17/819263717.db2.gz	WAKRWLNDOBUKIC-UHFFFAOYSA-N	-1	0	278.233	3.360	20	30		CGEDRM
CCCCN(CCC#N)Cc1ccc(C(=O)[O-])cc1C	ZINC001238138680	819941150	/nfs/dbraw/zinc/94/11/50/819941150.db2.gz	JXWKKUMNRTWTNU-UHFFFAOYSA-N	-1	0	274.364	3.209	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243608369	823465462	/nfs/dbraw/zinc/46/54/62/823465462.db2.gz	FVBDTYHHDFNLBP-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239275220	820250285	/nfs/dbraw/zinc/25/02/85/820250285.db2.gz	ONLLMQNNRQQUFA-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#Cc1cccnc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243605857	823464175	/nfs/dbraw/zinc/46/41/75/823464175.db2.gz	ZNSOOIREGRBIPM-UHFFFAOYSA-N	-1	0	264.206	3.345	20	30		CGEDRM
N#Cc1c(F)cncc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243612122	823467084	/nfs/dbraw/zinc/46/70/84/823467084.db2.gz	SXWHAGJVGPLVBN-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cc(F)ccc3[O-])nc2c1	ZINC001240695412	821250536	/nfs/dbraw/zinc/25/05/36/821250536.db2.gz	KMARXSLDJLHIEA-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(CC#N)c1F	ZINC001240734608	821287048	/nfs/dbraw/zinc/28/70/48/821287048.db2.gz	DOPHBTWCCJHHIB-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(-c2ccc(CS)cc2)ccc1C(=O)[O-]	ZINC001240745535	821296291	/nfs/dbraw/zinc/29/62/91/821296291.db2.gz	CQRGUBNAMZPPHM-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])s2)nc1C(F)(F)F	ZINC001240843307	821363343	/nfs/dbraw/zinc/36/33/43/821363343.db2.gz	RJEMACDZHJXHPJ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1cccc(-c2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001240974205	821457851	/nfs/dbraw/zinc/45/78/51/821457851.db2.gz	VMSITLLMAYYYBD-UHFFFAOYSA-N	-1	0	251.285	3.161	20	30		CGEDRM
O=C([O-])Cc1ccc(-c2ccc(CS)cc2)cc1	ZINC001240976132	821459960	/nfs/dbraw/zinc/45/99/60/821459960.db2.gz	JKQGODRAQNIAET-UHFFFAOYSA-N	-1	0	258.342	3.411	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241187582	821625449	/nfs/dbraw/zinc/62/54/49/821625449.db2.gz	QQKZACUOTNVWCY-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001241244781	821665578	/nfs/dbraw/zinc/66/55/78/821665578.db2.gz	AIQRATPCVONZQN-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241245193	821666604	/nfs/dbraw/zinc/66/66/04/821666604.db2.gz	HWBFQRUTNVQEMG-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
N#CCc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1F	ZINC001241245293	821666918	/nfs/dbraw/zinc/66/69/18/821666918.db2.gz	KKEZGSUSOUYFBX-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241246973	821667813	/nfs/dbraw/zinc/66/78/13/821667813.db2.gz	HJVYOKXJTNRNMG-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#CCc1ccc(-c2c(F)ccc([O-])c2F)cc1C#N	ZINC001241292879	821710577	/nfs/dbraw/zinc/71/05/77/821710577.db2.gz	LJWRIXWNHWYTNR-UHFFFAOYSA-N	-1	0	270.238	3.275	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241346136	821749997	/nfs/dbraw/zinc/74/99/97/821749997.db2.gz	XVCISQUIXHRRPP-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241347953	821750872	/nfs/dbraw/zinc/75/08/72/821750872.db2.gz	SXQVCPQPYPLTMF-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
COc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1CC#N	ZINC001241828765	822167429	/nfs/dbraw/zinc/16/74/29/822167429.db2.gz	KLEKOOKOZVRNSJ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001241836801	822172798	/nfs/dbraw/zinc/17/27/98/822172798.db2.gz	DSAOEUUZYXHWQF-RQZCQDPDSA-N	-1	0	273.263	3.389	20	30		CGEDRM
N#Cc1ccc2ccnc(-c3cccc(CC(=O)[O-])c3)c2c1	ZINC001242262168	822929524	/nfs/dbraw/zinc/92/95/24/822929524.db2.gz	QXISEPIGJXZTRY-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#CCCc1ccc(-c2cccc(CC(=O)[O-])c2)cc1	ZINC001242262172	822929568	/nfs/dbraw/zinc/92/95/68/822929568.db2.gz	JOHZEGZVIDCROQ-UHFFFAOYSA-N	-1	0	265.312	3.437	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc(F)c1[O-])CCCC2	ZINC001242350447	822960452	/nfs/dbraw/zinc/96/04/52/822960452.db2.gz	FXIFFYJPNPTUNM-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2cccc(Cl)c2[O-])c1	ZINC001242367046	822969386	/nfs/dbraw/zinc/96/93/86/822969386.db2.gz	HNCHZZPRDUZMBZ-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc2[nH]c(C#N)cc21	ZINC001242391195	822979260	/nfs/dbraw/zinc/97/92/60/822979260.db2.gz	XUMRDMBIPGTZSN-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=NNCc1ccc(F)cc1	ZINC001340495875	936406020	/nfs/dbraw/zinc/40/60/20/936406020.db2.gz	XIKMXNLXLLGCIB-UHFFFAOYSA-N	-1	0	278.714	3.308	20	30		CGEDRM
N#C[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC001343363648	936496119	/nfs/dbraw/zinc/49/61/19/936496119.db2.gz	IBBMWTYPISNHCX-QMMMGPOBSA-N	-1	0	299.157	3.075	20	30		CGEDRM
CCCCCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000217316130	928155881	/nfs/dbraw/zinc/15/58/81/928155881.db2.gz	CJIHQEJTEUXGOH-UHFFFAOYSA-N	-1	0	294.351	3.391	20	30		CGEDRM
Cc1cccn2cc(C(=O)Nc3cc(C#N)ccc3[O-])cc12	ZINC001447052546	937366526	/nfs/dbraw/zinc/36/65/26/937366526.db2.gz	WTGDJBNQRXCALN-UHFFFAOYSA-N	-1	0	291.310	3.077	20	30		CGEDRM
N#Cc1cc(Nc2ccc([O-])c(F)c2F)cc([N+](=O)[O-])c1	ZINC001211328089	932011788	/nfs/dbraw/zinc/01/17/88/932011788.db2.gz	WDNBSHPTXUDJRM-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
C=C[C@@H](C)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O	ZINC001229192848	932113648	/nfs/dbraw/zinc/11/36/48/932113648.db2.gz	VTMVSPBFIFOCSD-SNVBAGLBSA-N	-1	0	294.306	3.121	20	30		CGEDRM
C#C[C@@H](CC)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229798118	932486218	/nfs/dbraw/zinc/48/62/18/932486218.db2.gz	ROFIRZVZCYXVQH-LBPRGKRZSA-N	-1	0	294.306	3.442	20	30		CGEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230666535	932605496	/nfs/dbraw/zinc/60/54/96/932605496.db2.gz	MIGSQEITRDBFTN-QMMMGPOBSA-N	-1	0	256.261	3.035	20	30		CGEDRM
COC(=O)C[C@@H](C#N)c1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1	ZINC001230999167	932654807	/nfs/dbraw/zinc/65/48/07/932654807.db2.gz	ITQJPRXYYLSIED-BBRMVZONSA-N	-1	0	296.346	3.325	20	30		CGEDRM
C=C1O[C@H](CC)C(=O)C1Oc1cccc2oc(=S)[n-]c21	ZINC001231064594	932670124	/nfs/dbraw/zinc/67/01/24/932670124.db2.gz	GMTJBLBZVNPWOG-MRVPVSSYSA-N	-1	0	291.328	3.105	20	30		CGEDRM
CC(C)C(C#N)=CNNc1ccc(Cl)c(C(=O)[O-])c1	ZINC001319496862	933884456	/nfs/dbraw/zinc/88/44/56/933884456.db2.gz	TVRYLLVSTQROAL-SECBINFHSA-N	-1	0	279.727	3.232	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)Cc2cccc(C3CC3)c2)c1	ZINC001471086056	937761412	/nfs/dbraw/zinc/76/14/12/937761412.db2.gz	RMYMTKUCOSFFDF-UHFFFAOYSA-N	-1	0	292.338	3.088	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccnc2N(C)C)c([O-])c1	ZINC001322819614	934340138	/nfs/dbraw/zinc/34/01/38/934340138.db2.gz	JYMATJYKEVOFDY-CLFYSBASSA-N	-1	0	282.343	3.058	20	30		CGEDRM
C=CC[C@@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-]	ZINC001325182409	934892365	/nfs/dbraw/zinc/89/23/65/934892365.db2.gz	UEFUNCOJDMZNBP-CYBMUJFWSA-N	-1	0	295.766	3.223	20	30		CGEDRM
CCC(=NOC(C)(C)C)c1cc(C(=O)[O-])ccc1F	ZINC001336205922	936180280	/nfs/dbraw/zinc/18/02/80/936180280.db2.gz	VVWIWDSNWBRZHJ-UHFFFAOYSA-N	-1	0	267.300	3.453	20	30		CGEDRM
C[C@@]1(C(=O)Nc2cc(C#N)ccc2[O-])CCc2ccccc21	ZINC001546333175	938000540	/nfs/dbraw/zinc/00/05/40/938000540.db2.gz	WCHKERBOUDSXOQ-GOSISDBHSA-N	-1	0	292.338	3.106	20	30		CGEDRM
C[C@]1(C(=O)Nc2cc(C#N)ccc2[O-])CCc2ccccc21	ZINC001546333176	938000557	/nfs/dbraw/zinc/00/05/57/938000557.db2.gz	WCHKERBOUDSXOQ-SFHVURJKSA-N	-1	0	292.338	3.106	20	30		CGEDRM
Cc1nc2c(cccc2C([O-])=C(C#N)c2cccc(F)n2)o1	ZINC001524739721	938045297	/nfs/dbraw/zinc/04/52/97/938045297.db2.gz	CLLLNAHANUOCJL-LLVKDONJSA-N	-1	0	295.273	3.160	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)Nc1cc([O-])c(F)cc1F	ZINC001556919607	938206392	/nfs/dbraw/zinc/20/63/92/938206392.db2.gz	IKLUDPWTWKZBLN-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1c([O-])cc(F)cc1F	ZINC001559018977	938218957	/nfs/dbraw/zinc/21/89/57/938218957.db2.gz	AISIPVKFYDREPD-UHFFFAOYSA-N	-1	0	269.291	3.003	20	30		CGEDRM
O=C(c1cccc(Cl)c1[O-])N(O)Cc1ccc(F)cc1	ZINC001559037433	938219341	/nfs/dbraw/zinc/21/93/41/938219341.db2.gz	WWUXTQVPKXMVDN-UHFFFAOYSA-N	-1	0	295.697	3.216	20	30		CGEDRM
C=C1CCC(C(=O)OCc2ccc(C(=O)[O-])cc2)CC1	ZINC001602713227	971362036	/nfs/dbraw/zinc/36/20/36/971362036.db2.gz	SDOPFECFXVFUAE-UHFFFAOYSA-N	-1	0	274.316	3.174	20	30		CGEDRM
CCCCCCCCC(=O)NC(C)(C)CC(=O)[O-]	ZINC000113498747	949228247	/nfs/dbraw/zinc/22/82/47/949228247.db2.gz	LSOQGYSLNGPXKR-UHFFFAOYSA-N	-1	0	257.374	3.107	20	30		CGEDRM
N#CCc1cccc(NCc2cccc(C(=O)[O-])c2)c1	ZINC000313481170	950790639	/nfs/dbraw/zinc/79/06/39/950790639.db2.gz	QFIVQSRVVAAJIP-UHFFFAOYSA-N	-1	0	266.300	3.063	20	30		CGEDRM
C=C[C@@H](Nc1cccc(Cl)c1OC(C)C)C(=O)[O-]	ZINC001602821101	960550049	/nfs/dbraw/zinc/55/00/49/960550049.db2.gz	VDZUYNOLAUETJJ-SNVBAGLBSA-N	-1	0	269.728	3.178	20	30		CGEDRM
C#CCN(CC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001573311432	962702017	/nfs/dbraw/zinc/70/20/17/962702017.db2.gz	PXKJZCJGGHPJSD-UHFFFAOYSA-N	-1	0	296.326	3.025	20	30		CGEDRM
C=C(C)C[C@@H](Nc1nc(C2CCCCC2)ns1)C(=O)[O-]	ZINC001573323764	962776072	/nfs/dbraw/zinc/77/60/72/962776072.db2.gz	HHVBBBIVAHKGHK-LLVKDONJSA-N	-1	0	295.408	3.417	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001573329702	962812254	/nfs/dbraw/zinc/81/22/54/962812254.db2.gz	KMEBQAWNEXNCPP-UHFFFAOYSA-N	-1	0	275.348	3.025	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1)C(C)(C)C	ZINC001573332302	962829565	/nfs/dbraw/zinc/82/95/65/962829565.db2.gz	HBGFXFVSTGKUJH-OAHLLOKOSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C	ZINC001573332399	962832760	/nfs/dbraw/zinc/83/27/60/962832760.db2.gz	IQFQKMFQZWKTCW-OLZOCXBDSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C#C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccccc1	ZINC001584693452	962950793	/nfs/dbraw/zinc/95/07/93/962950793.db2.gz	GCLWXAWSCZOBLU-AWEZNQCLSA-N	-1	0	285.730	3.150	20	30		CGEDRM
C=CCCc1ccccc1NC[C@@H]1[C@H](C(=O)[O-])C1(F)F	ZINC001573359952	963029889	/nfs/dbraw/zinc/02/98/89/963029889.db2.gz	BOBYMHXCAKKKFH-DGCLKSJQSA-N	-1	0	281.302	3.183	20	30		CGEDRM
C=CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(Cl)c1Cl	ZINC001588729909	963139727	/nfs/dbraw/zinc/13/97/27/963139727.db2.gz	WFGHACKUCNNZIF-NSHDSACASA-N	-1	0	288.174	3.455	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000306070098	963182564	/nfs/dbraw/zinc/18/25/64/963182564.db2.gz	ZNGXJYCCMICCOU-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
C=CCn1c2ccccc2nc1SCCCC(=O)[O-]	ZINC001588475356	963275249	/nfs/dbraw/zinc/27/52/49/963275249.db2.gz	YULJOVZJUGJIAO-UHFFFAOYSA-N	-1	0	276.361	3.179	20	30		CGEDRM
C=CC1(CC(=O)N(CC(=O)[O-])CC(C)(C)C)CCCCC1	ZINC001588452130	963278034	/nfs/dbraw/zinc/27/80/34/963278034.db2.gz	JICJBIATFIVXEF-UHFFFAOYSA-N	-1	0	295.423	3.472	20	30		CGEDRM
C=C(CC)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-]	ZINC001588605759	963291924	/nfs/dbraw/zinc/29/19/24/963291924.db2.gz	MASZWMRIWKCOBS-UHFFFAOYSA-N	-1	0	277.320	3.077	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C	ZINC001588606646	963294115	/nfs/dbraw/zinc/29/41/15/963294115.db2.gz	CNDOPRQFUQDHKZ-CHWSQXEVSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C1CC(c2noc(-c3ccc(C(=O)[O-])cc3F)n2)C1	ZINC001588644309	963301017	/nfs/dbraw/zinc/30/10/17/963301017.db2.gz	OJJMQBBLFOYPCX-UHFFFAOYSA-N	-1	0	274.251	3.008	20	30		CGEDRM
C=CC(C)(C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588671934	963301034	/nfs/dbraw/zinc/30/10/34/963301034.db2.gz	KUXBRKIKYMLJCJ-VIFPVBQESA-N	-1	0	266.293	3.103	20	30		CGEDRM
C=CC(C)(C)CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1	ZINC001588681000	963301441	/nfs/dbraw/zinc/30/14/41/963301441.db2.gz	KRIRTWWUFILDBP-UHFFFAOYSA-N	-1	0	288.269	3.423	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC001588693443	963302447	/nfs/dbraw/zinc/30/24/47/963302447.db2.gz	YNCHZGIFSWEDSJ-JTQLQIEISA-N	-1	0	280.295	3.340	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC001588691275	963302756	/nfs/dbraw/zinc/30/27/56/963302756.db2.gz	WJEJGMMBMICCKI-FUJMWEONSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCC1	ZINC001588765247	963309991	/nfs/dbraw/zinc/30/99/91/963309991.db2.gz	UUSNKVSJUDOIKV-UHFFFAOYSA-N	-1	0	295.285	3.348	20	30		CGEDRM
C=CC[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588745307	963310405	/nfs/dbraw/zinc/31/04/05/963310405.db2.gz	HNVVQKCLVKYBGA-AAEUAGOBSA-N	-1	0	286.331	3.022	20	30		CGEDRM
C=CCC(C)(C)c1noc(-c2cc(C(=O)[O-])oc2C)n1	ZINC001588736817	963312266	/nfs/dbraw/zinc/31/22/66/963312266.db2.gz	VPQRQBCIGVWUCA-UHFFFAOYSA-N	-1	0	276.292	3.190	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001588786594	963314076	/nfs/dbraw/zinc/31/40/76/963314076.db2.gz	PWRMOOOXEAEGJA-LSDHHAIUSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCC[C@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC001588788989	963316053	/nfs/dbraw/zinc/31/60/53/963316053.db2.gz	ULDYNYGVJJPHSU-AWEZNQCLSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)C1(CC)CCCCC1)C(=O)[O-]	ZINC001588789341	963317005	/nfs/dbraw/zinc/31/70/05/963317005.db2.gz	BDLBVNPXEMBFSP-CYBMUJFWSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCCC[C@H](C)Nc1nc(C(=O)[O-])c(C)s1	ZINC001588785669	963317679	/nfs/dbraw/zinc/31/76/79/963317679.db2.gz	KENWUIQUWLWJGD-QMMMGPOBSA-N	-1	0	254.355	3.306	20	30		CGEDRM
CC#CCCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC001588927076	963332851	/nfs/dbraw/zinc/33/28/51/963332851.db2.gz	LUHOURNPZHTRQY-UHFFFAOYSA-N	-1	0	280.707	3.137	20	30		CGEDRM
CC(=NNc1cccc(F)c1C(=O)[O-])c1ccccc1F	ZINC001589017404	963342011	/nfs/dbraw/zinc/34/20/11/963342011.db2.gz	LORSNKVBIDLTKS-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
Cc1nc(Sc2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC000311808115	963513936	/nfs/dbraw/zinc/51/39/36/963513936.db2.gz	GARSMJGUKVIMNZ-UHFFFAOYSA-N	-1	0	270.313	3.111	20	30		CGEDRM
CC(C)(C#N)CCCON=Cc1ccc(C(=O)[O-])cc1	ZINC001589554457	964002673	/nfs/dbraw/zinc/00/26/73/964002673.db2.gz	BHHNLDHDYVGFFY-UHFFFAOYSA-N	-1	0	274.320	3.065	20	30		CGEDRM
C#CCCCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588439555	964029728	/nfs/dbraw/zinc/02/97/28/964029728.db2.gz	BPWYBHLDWJUBNG-UHFFFAOYSA-N	-1	0	281.311	3.280	20	30		CGEDRM
C#CCCC[C@@H](C)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC001588439528	964029958	/nfs/dbraw/zinc/02/99/58/964029958.db2.gz	BFLALMGMZLTFDB-CYBMUJFWSA-N	-1	0	288.343	3.053	20	30		CGEDRM
C#CCCCCC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC001588440530	964039342	/nfs/dbraw/zinc/03/93/42/964039342.db2.gz	YWJYIZKZVBNMEE-HNNXBMFYSA-N	-1	0	287.359	3.076	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588445840	964066575	/nfs/dbraw/zinc/06/65/75/964066575.db2.gz	UOODFWHRFRKRCL-OKILXGFUSA-N	-1	0	286.331	3.100	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000158010638	967649740	/nfs/dbraw/zinc/64/97/40/967649740.db2.gz	FNQJDQUHGCQLTJ-UHFFFAOYSA-N	-1	0	290.363	3.134	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C(=O)[O-]	ZINC001609636799	970429290	/nfs/dbraw/zinc/42/92/90/970429290.db2.gz	FJQOGCKNFNEULF-NSHDSACASA-N	-1	0	275.348	3.198	20	30		CGEDRM
C=CCCCCCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC000405352380	973842139	/nfs/dbraw/zinc/84/21/39/973842139.db2.gz	VQXKTECPVXZPLN-UONOGXRCSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C[C@@](CNc1cccc(F)c1C#N)(C(=O)[O-])c1ccccc1	ZINC001592728559	979238151	/nfs/dbraw/zinc/23/81/51/979238151.db2.gz	DHRLVQRVJLMJIU-KRWDZBQOSA-N	-1	0	298.317	3.152	20	30		CGEDRM
CCCCCCCC(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001595702330	982263146	/nfs/dbraw/zinc/26/31/46/982263146.db2.gz	HDCARGNEKQPBIX-UHFFFAOYSA-N	-1	0	283.412	3.498	20	30		CGEDRM
CCC[C@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC001596011497	983273809	/nfs/dbraw/zinc/27/38/09/983273809.db2.gz	YEMXJBMTPUAREO-XGHPXPSOSA-N	-1	0	271.316	3.218	20	30		CGEDRM
CCCc1nc2ccc(C#N)cc2c(C)c1C(=O)[O-]	ZINC001596100454	983423444	/nfs/dbraw/zinc/42/34/44/983423444.db2.gz	PSSYTLSRMGKBLO-UHFFFAOYSA-N	-1	0	254.289	3.066	20	30		CGEDRM
CCOc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1	ZINC001597056165	986540784	/nfs/dbraw/zinc/54/07/84/986540784.db2.gz	VJTLTQOWXSDQLQ-FPLPWBNLSA-N	-1	0	286.283	3.273	20	30		CGEDRM
CCc1cnccc1C(C)=NNc1ccc(CC(=O)[O-])cc1	ZINC001597635342	988614602	/nfs/dbraw/zinc/61/46/02/988614602.db2.gz	WWIFNBDWPHDWNE-UHFFFAOYSA-N	-1	0	297.358	3.107	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1COc1cc(F)cc(C#N)c1	ZINC001597772105	989233729	/nfs/dbraw/zinc/23/37/29/989233729.db2.gz	GRYKIQLKQCBFND-UHFFFAOYSA-N	-1	0	289.262	3.130	20	30		CGEDRM
CCc1sc(C(=O)[O-])cc1-c1cncc(C#N)c1C	ZINC001597820876	989462184	/nfs/dbraw/zinc/46/21/84/989462184.db2.gz	ROHFOXLTNVBYEJ-UHFFFAOYSA-N	-1	0	272.329	3.251	20	30		CGEDRM
CC(C)(CCN=Nc1nc2ccccc2s1)C(=O)[O-]	ZINC001590654572	990348153	/nfs/dbraw/zinc/34/81/53/990348153.db2.gz	PYUGDPJKWQRVAA-UHFFFAOYSA-N	-1	0	277.349	3.195	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1csc(C(=O)[O-])c1	ZINC001591245246	992133640	/nfs/dbraw/zinc/13/36/40/992133640.db2.gz	ILEBLJICOUHPKG-UHFFFAOYSA-N	-1	0	280.393	3.208	20	30		CGEDRM
CC(C)CON=C1CCC[C@@H](CCCC(=O)[O-])C1	ZINC001591397308	992467693	/nfs/dbraw/zinc/46/76/93/992467693.db2.gz	VERCNGXIMISDDZ-LBPRGKRZSA-N	-1	0	255.358	3.460	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N[C@H](C)CC(C)(C)C#N	ZINC001599375495	998478281	/nfs/dbraw/zinc/47/82/81/998478281.db2.gz	MKSBCGFFIRIKDJ-SNVBAGLBSA-N	-1	0	276.336	3.134	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001594367454	999388892	/nfs/dbraw/zinc/38/88/92/999388892.db2.gz	SXVCNUNKFRJHNO-VXGBXAGGSA-N	-1	0	287.363	3.280	20	30		CGEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)cc2ccccc21	ZINC000334902700	529588501	/nfs/dbraw/zinc/58/85/01/529588501.db2.gz	XEUVDBQXPUISNM-CYBMUJFWSA-N	-1	0	288.372	3.192	20	30		CGEDRM
CC(C)C[C@H](CNc1ccc(C#N)cc1)CC(=O)[O-]	ZINC000088274376	345758431	/nfs/dbraw/zinc/75/84/31/345758431.db2.gz	YALCXZNTZWFGSD-ZDUSSCGKSA-N	-1	0	260.337	3.107	20	30		CGEDRM
CC[C@H](C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000593568926	347091733	/nfs/dbraw/zinc/09/17/33/347091733.db2.gz	KTFBYAWUUSWGNZ-ZCFIWIBFSA-N	-1	0	273.119	3.187	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)c(F)c2)c(=O)c1CCC#N	ZINC000601948766	347928499	/nfs/dbraw/zinc/92/84/99/347928499.db2.gz	LBNMUSJOIWGUDE-SNVBAGLBSA-N	-1	0	279.702	3.122	20	30		CGEDRM
CCC(C)(C)c1n[n-]c(=N[C@@H](C)c2ccc(C#N)cc2)o1	ZINC000603274137	348067669	/nfs/dbraw/zinc/06/76/69/348067669.db2.gz	JFERSABCZZKOHO-NSHDSACASA-N	-1	0	284.363	3.224	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3ccc(Cl)cc3)cc2=O)c1	ZINC000603920677	348102836	/nfs/dbraw/zinc/10/28/36/348102836.db2.gz	BMIBSLPDQAMAOU-UHFFFAOYSA-N	-1	0	295.729	3.353	20	30		CGEDRM
CC(C)c1n[n-]c(=N[C@@H]2CCc3cc(C#N)ccc32)s1	ZINC000618693324	349145255	/nfs/dbraw/zinc/14/52/55/349145255.db2.gz	DXZHXWLZGSKEMY-CYBMUJFWSA-N	-1	0	284.388	3.054	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C(F)F)c2)n1	ZINC000626283058	350291483	/nfs/dbraw/zinc/29/14/83/350291483.db2.gz	AIJZRNGRCGFVQN-QMMMGPOBSA-N	-1	0	282.271	3.472	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630203728	350817325	/nfs/dbraw/zinc/81/73/25/350817325.db2.gz	DMHLZFNSWKYDGY-VXGBXAGGSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=C(C)CN(Cc1ccccc1)C(=O)CCCCC(=O)[O-]	ZINC000630293230	350822068	/nfs/dbraw/zinc/82/20/68/350822068.db2.gz	NANZALMHCXAVND-UHFFFAOYSA-N	-1	0	289.375	3.236	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000630319787	350823484	/nfs/dbraw/zinc/82/34/84/350823484.db2.gz	HWICSGQUTWKJLQ-HIFRSBDPSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CCOc1cccc(NC(=O)C(C)(C)CCC(=O)[O-])c1	ZINC000634818549	351592396	/nfs/dbraw/zinc/59/23/96/351592396.db2.gz	OZCHXSPSPNLPNP-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)CC1(C(=O)[O-])CCCCC1	ZINC000634933459	351605576	/nfs/dbraw/zinc/60/55/76/351605576.db2.gz	YXSVRHVKFUIZCH-UHFFFAOYSA-N	-1	0	281.396	3.273	20	30		CGEDRM
CC(C)(CCNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000314843174	138588352	/nfs/dbraw/zinc/58/83/52/138588352.db2.gz	LPOHSUZBXRRHBP-UHFFFAOYSA-N	-1	0	283.331	3.019	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3c(s2)CCC3)n1	ZINC000122743788	370907543	/nfs/dbraw/zinc/90/75/43/370907543.db2.gz	AHTDCAFODXUHLQ-JTQLQIEISA-N	-1	0	288.397	3.492	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCCC1	ZINC000046708839	369296123	/nfs/dbraw/zinc/29/61/23/369296123.db2.gz	SEZBHMJMYXKTRF-UHFFFAOYSA-N	-1	0	287.768	3.175	20	30		CGEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000049135721	369389769	/nfs/dbraw/zinc/38/97/69/369389769.db2.gz	XLKIOGQTAIMJAY-UHFFFAOYSA-N	-1	0	293.747	3.170	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1nc(-c2ccncc2)cs1	ZINC000114619075	370506017	/nfs/dbraw/zinc/50/60/17/370506017.db2.gz	DKOPGLKEEKDSOG-NSHDSACASA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cncc3ccccc32)n1	ZINC000153361279	371765826	/nfs/dbraw/zinc/76/58/26/371765826.db2.gz	BHWHRAOVSMBREZ-CYBMUJFWSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=C[C@@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000155238175	371916658	/nfs/dbraw/zinc/91/66/58/371916658.db2.gz	BJKHGPCDMHCTRE-ZCFIWIBFSA-N	-1	0	260.120	3.003	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc3ccccc32)n1	ZINC000161884836	372358452	/nfs/dbraw/zinc/35/84/52/372358452.db2.gz	GHTLJBXTBKTOHI-ZDUSSCGKSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccnc2)s1	ZINC000430595271	372390656	/nfs/dbraw/zinc/39/06/56/372390656.db2.gz	TXGVJMDKHSZYPZ-NSHDSACASA-N	-1	0	285.372	3.326	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)N=c1[n-]nc(CCCC)s1	ZINC000432738897	372571978	/nfs/dbraw/zinc/57/19/78/372571978.db2.gz	NSSDGGDQUURUSQ-UHFFFAOYSA-N	-1	0	296.440	3.026	20	30		CGEDRM
N#Cc1ccc(CC(=O)Nc2cccc(Cl)c2[O-])cc1	ZINC000172355356	372948328	/nfs/dbraw/zinc/94/83/28/372948328.db2.gz	VOTUFMVADKQWBZ-UHFFFAOYSA-N	-1	0	286.718	3.098	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccn1	ZINC000448544390	373581705	/nfs/dbraw/zinc/58/17/05/373581705.db2.gz	SOXJOAUFURHWRQ-GFCCVEGCSA-N	-1	0	285.372	3.460	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000316660637	374336603	/nfs/dbraw/zinc/33/66/03/374336603.db2.gz	QSPFWZAQCYZGHG-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000335958499	375571125	/nfs/dbraw/zinc/57/11/25/375571125.db2.gz	RPHBIRSZWPGZAP-SNVBAGLBSA-N	-1	0	283.730	3.365	20	30		CGEDRM
C=CCCC[C@@H](C)N=c1[n-]nc(C2CCOCC2)s1	ZINC000338690121	376482217	/nfs/dbraw/zinc/48/22/17/376482217.db2.gz	SJWWJSGWIGKPHD-LLVKDONJSA-N	-1	0	281.425	3.011	20	30		CGEDRM
C[C@@H](C#N)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000336234479	533119646	/nfs/dbraw/zinc/11/96/46/533119646.db2.gz	MNWDHILFUAXRPK-BYPYZUCNSA-N	-1	0	293.537	3.451	20	30		CGEDRM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccs1	ZINC000070269166	392179508	/nfs/dbraw/zinc/17/95/08/392179508.db2.gz	OZCVHYDLKMVJKX-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000238065402	131074924	/nfs/dbraw/zinc/07/49/24/131074924.db2.gz	RRMYEIRHJPXJSD-UHFFFAOYSA-N	-1	0	273.332	3.021	20	30		CGEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379501	392711571	/nfs/dbraw/zinc/71/15/71/392711571.db2.gz	NXAHFXBNUSPAMK-GFCCVEGCSA-N	-1	0	297.339	3.284	20	30		CGEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647376956	392711926	/nfs/dbraw/zinc/71/19/26/392711926.db2.gz	GATSDHRCGNAXRN-SNVBAGLBSA-N	-1	0	271.345	3.147	20	30		CGEDRM
C=CCOc1ccc(CN=c2[n-]nc(CCC)s2)cc1	ZINC000343224808	393022630	/nfs/dbraw/zinc/02/26/30/393022630.db2.gz	RWDJNRJMTOVQEM-UHFFFAOYSA-N	-1	0	289.404	3.089	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccccc1Cl	ZINC000356216742	393385503	/nfs/dbraw/zinc/38/55/03/393385503.db2.gz	KIBKUSAPOUOKLR-ALCCZGGFSA-N	-1	0	284.702	3.475	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)C[C@@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000668321436	543006768	/nfs/dbraw/zinc/00/67/68/543006768.db2.gz	STELBUYJSXEBDH-OLZOCXBDSA-N	-1	0	281.396	3.081	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1nccc2ccccc21	ZINC000683692058	543932327	/nfs/dbraw/zinc/93/23/27/543932327.db2.gz	NLDBPGIRACGFSN-GFCCVEGCSA-N	-1	0	279.324	3.181	20	30		CGEDRM
C=C(C)C[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1	ZINC000652430559	418966828	/nfs/dbraw/zinc/96/68/28/418966828.db2.gz	NAPHKOMWORAUHG-UHFFFAOYSA-N	-1	0	253.729	3.046	20	30		CGEDRM
CC(C)(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000272425406	263004063	/nfs/dbraw/zinc/00/40/63/263004063.db2.gz	CBZNCZUDXUKGAP-UHFFFAOYSA-N	-1	0	273.119	3.187	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H](C2CC2)C(F)(F)F)c1	ZINC000287356860	263101668	/nfs/dbraw/zinc/10/16/68/263101668.db2.gz	XXXCSXIYSVRRGM-OHUUDMDPSA-N	-1	0	288.225	3.060	20	30		CGEDRM
C=C(CN=c1nc(C(F)(F)F)[n-]s1)c1ccccc1	ZINC000340879552	263311206	/nfs/dbraw/zinc/31/12/06/263311206.db2.gz	QDRCWTPVTLZSDV-UHFFFAOYSA-N	-1	0	285.294	3.104	20	30		CGEDRM
Cc1ccc(-c2ccccc2C(=O)[O-])cc1CC#N	ZINC000580957441	328123956	/nfs/dbraw/zinc/12/39/56/328123956.db2.gz	OXYDFULMAIMFTQ-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(O)c1	ZINC000294516076	328281572	/nfs/dbraw/zinc/28/15/72/328281572.db2.gz	YEMOCTRCNANFSJ-INIZCTEOSA-N	-1	0	270.332	3.113	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccc([C@H]2C[C@H]2C)o1	ZINC000049418008	328361449	/nfs/dbraw/zinc/36/14/49/328361449.db2.gz	MGYMUTSDVYFZJW-FLPUTOKSSA-N	-1	0	297.376	3.111	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1Cl	ZINC000049417875	328361512	/nfs/dbraw/zinc/36/15/12/328361512.db2.gz	QJPJLJCYMBSCSR-BQYQJAHWSA-N	-1	0	287.768	3.048	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000559989908	327275879	/nfs/dbraw/zinc/27/58/79/327275879.db2.gz	XFZMANVMNGDESX-SNVBAGLBSA-N	-1	0	294.266	3.113	20	30		CGEDRM
N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1ccccn1	ZINC000171480988	329076523	/nfs/dbraw/zinc/07/65/23/329076523.db2.gz	AMEUEMCSYKXLLM-JTQLQIEISA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000177764752	329186739	/nfs/dbraw/zinc/18/67/39/329186739.db2.gz	FHAZZFNUWFFKRE-SECBINFHSA-N	-1	0	275.333	3.053	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000263258533	330050882	/nfs/dbraw/zinc/05/08/82/330050882.db2.gz	ULUOXSPKKZFGLG-UHFFFAOYSA-N	-1	0	291.322	3.160	20	30		CGEDRM
C=CCC1(NC(=O)NCCC(C)(C)C(=O)[O-])CCCCC1	ZINC000424407754	330350441	/nfs/dbraw/zinc/35/04/41/330350441.db2.gz	TZEYPVMYSUSYGM-UHFFFAOYSA-N	-1	0	296.411	3.066	20	30		CGEDRM
CC(=Cc1sccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193613836	335978435	/nfs/dbraw/zinc/97/84/35/335978435.db2.gz	UFLWEOXRGNDYOX-ALCCZGGFSA-N	-1	0	291.763	3.225	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000184840483	518244372	/nfs/dbraw/zinc/24/43/72/518244372.db2.gz	WOTOPKUFSMGJLD-UHFFFAOYSA-N	-1	0	251.713	3.034	20	30		CGEDRM
C=C[C@@H](CC(=O)NCCCCCC(=O)[O-])c1ccccc1	ZINC000190877992	534515058	/nfs/dbraw/zinc/51/50/58/534515058.db2.gz	WNLMELXMGKXCHB-AWEZNQCLSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=C[C@H](CC(=O)N[C@](C)(CCC)C(=O)[O-])c1ccccc1	ZINC000190706954	534675916	/nfs/dbraw/zinc/67/59/16/534675916.db2.gz	YZTDMHNLEAGBAN-CXAGYDPISA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#Cc1c(F)cccc1NCc1ccc(C(=O)[O-])cc1	ZINC000050920489	526525299	/nfs/dbraw/zinc/52/52/99/526525299.db2.gz	FGJAIMYEXOHEBY-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
CCC(CC)(CNc1cc(C(C)=O)ccc1C#N)C(=O)[O-]	ZINC000424372115	528696729	/nfs/dbraw/zinc/69/67/29/528696729.db2.gz	HBQYBLOVLCDHLV-UHFFFAOYSA-N	-1	0	288.347	3.064	20	30		CGEDRM
Cc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F	ZINC000738452528	571757373	/nfs/dbraw/zinc/75/73/73/571757373.db2.gz	QDPGNYBGRAVCDP-HNNXBMFYSA-N	-1	0	284.290	3.244	20	30		CGEDRM
CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-]	ZINC000727776591	571768294	/nfs/dbraw/zinc/76/82/94/571768294.db2.gz	BQPPNFQTGQYMQE-UHFFFAOYSA-N	-1	0	289.266	3.276	20	30		CGEDRM
CC(Cc1cccs1)N=Nc1cccc(C(=O)[O-])c1	ZINC000729632372	571926459	/nfs/dbraw/zinc/92/64/59/571926459.db2.gz	AGCUHEOUSFXSHY-UHFFFAOYSA-N	-1	0	274.345	3.477	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000730148940	571951963	/nfs/dbraw/zinc/95/19/63/571951963.db2.gz	QHMWASKKZKKKRL-SREVYHEPSA-N	-1	0	288.324	3.351	20	30		CGEDRM
Cc1oc(CN(CCC#N)CC(C)(C)C)cc1C(=O)[O-]	ZINC000738979551	572351798	/nfs/dbraw/zinc/35/17/98/572351798.db2.gz	NXZZSPMIAOGVTC-UHFFFAOYSA-N	-1	0	278.352	3.048	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000730589347	572364743	/nfs/dbraw/zinc/36/47/43/572364743.db2.gz	DHBXULWZWZUONT-DAXSKMNVSA-N	-1	0	288.324	3.351	20	30		CGEDRM
Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)CO2	ZINC000738669170	572386501	/nfs/dbraw/zinc/38/65/01/572386501.db2.gz	BGDQEVKAUPISTH-YRNVUSSQSA-N	-1	0	298.294	3.253	20	30		CGEDRM
Cc1cccc(F)c1C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000743041723	572392888	/nfs/dbraw/zinc/39/28/88/572392888.db2.gz	CEVUKPZWYFYDDV-IUXPMGMMSA-N	-1	0	288.278	3.367	20	30		CGEDRM
Cc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1C	ZINC000731150086	572396862	/nfs/dbraw/zinc/39/68/62/572396862.db2.gz	DVDQTNNNAIUYJK-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
CCc1ccc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000731152848	572398145	/nfs/dbraw/zinc/39/81/45/572398145.db2.gz	UFWQQADRKRHEDK-UHFFFAOYSA-N	-1	0	274.345	3.455	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccccc2NC(=O)[O-])ccc1F	ZINC000739098953	572401947	/nfs/dbraw/zinc/40/19/47/572401947.db2.gz	MOYCHQMSJPRKPA-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
O=C([O-])N1CCC[C@@H](/N=C\c2c(O)ccc3ccccc32)C1	ZINC000739924159	572426716	/nfs/dbraw/zinc/42/67/16/572426716.db2.gz	CMNNEBQQRKOMHR-CCOVPTLTSA-N	-1	0	298.342	3.107	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1	ZINC000740323792	572440618	/nfs/dbraw/zinc/44/06/18/572440618.db2.gz	VPFABPMFKHUDSJ-UHFFFAOYSA-N	-1	0	299.261	3.040	20	30		CGEDRM
CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1	ZINC000741465995	572500949	/nfs/dbraw/zinc/50/09/49/572500949.db2.gz	AHBPUUVMOJFQRI-XGHPXPSOSA-N	-1	0	285.303	3.266	20	30		CGEDRM
CCC(CC)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000726366166	572573599	/nfs/dbraw/zinc/57/35/99/572573599.db2.gz	RBWGJIHUJQJKHG-HNNXBMFYSA-N	-1	0	283.371	3.432	20	30		CGEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1ccc2c(c1)COC2	ZINC000743430337	572659777	/nfs/dbraw/zinc/65/97/77/572659777.db2.gz	JARHTNRNZPSFJC-UHFFFAOYSA-N	-1	0	296.326	3.251	20	30		CGEDRM
C=C(C)CS[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735402560	572719474	/nfs/dbraw/zinc/71/94/74/572719474.db2.gz	XAZYYMTZHSQIPV-JTQLQIEISA-N	-1	0	260.366	3.237	20	30		CGEDRM
C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1	ZINC000736096612	572767980	/nfs/dbraw/zinc/76/79/80/572767980.db2.gz	QYDKGHBQHUYTJD-UHFFFAOYSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=C(C)CNc1ccc(C(=O)[O-])cc1OCC(F)(F)F	ZINC000736094366	572768046	/nfs/dbraw/zinc/76/80/46/572768046.db2.gz	CSJUADOLAFUZEG-UHFFFAOYSA-N	-1	0	289.253	3.314	20	30		CGEDRM
CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1(C)C	ZINC000748003019	572957336	/nfs/dbraw/zinc/95/73/36/572957336.db2.gz	XOOLNABMJCLQEI-IUODEOHRSA-N	-1	0	284.359	3.441	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cnc3ccsc3c2)c1	ZINC000748410611	572975732	/nfs/dbraw/zinc/97/57/32/572975732.db2.gz	MRXUEMJIOMFAIO-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
Cc1cccc2ncc(/C=C\C(=O)c3ccc([O-])c(F)c3)n21	ZINC000748997561	572987925	/nfs/dbraw/zinc/98/79/25/572987925.db2.gz	LALBLYJNWDFMFI-VURMDHGXSA-N	-1	0	296.301	3.384	20	30		CGEDRM
O=C1c2ccccc2O/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000749892971	573052337	/nfs/dbraw/zinc/05/23/37/573052337.db2.gz	DBQIEBXOKDWTQX-NTUHNPAUSA-N	-1	0	274.222	3.287	20	30		CGEDRM
C=CCCC(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000054399422	599810406	/nfs/dbraw/zinc/81/04/06/599810406.db2.gz	VQCJURSBQKAZRB-UHFFFAOYSA-N	-1	0	269.300	3.443	20	30		CGEDRM
CCCCCCCC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000829356762	601313636	/nfs/dbraw/zinc/31/36/36/601313636.db2.gz	JSJSDUJWHGEEJW-UHFFFAOYSA-N	-1	0	266.341	3.022	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1ccc(C(=O)[O-])c(F)c1	ZINC000826848920	601642494	/nfs/dbraw/zinc/64/24/94/601642494.db2.gz	LRYRUMQHYYJXNK-UHFFFAOYSA-N	-1	0	292.354	3.286	20	30		CGEDRM
C=CCCCC(=O)OCc1cc(C(=O)[O-])sc1C	ZINC000825671064	601732680	/nfs/dbraw/zinc/73/26/80/601732680.db2.gz	BTRIVVKETIQMPU-UHFFFAOYSA-N	-1	0	268.334	3.154	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CCO2	ZINC000832961435	601791224	/nfs/dbraw/zinc/79/12/24/601791224.db2.gz	ALUQVXXKMNCPEO-KPKJPENVSA-N	-1	0	297.310	3.070	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(Cl)cc2)c[nH]1	ZINC000833092646	601791463	/nfs/dbraw/zinc/79/14/63/601791463.db2.gz	JDLSGVFKGJDKLY-BHQIHCQQSA-N	-1	0	275.691	3.262	20	30		CGEDRM
N#Cc1cc(CNc2ccccc2C(=O)[O-])ccc1F	ZINC000116915241	602098022	/nfs/dbraw/zinc/09/80/22/602098022.db2.gz	OCWHEDPKJOZURD-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
C=CCC(CC=C)C(=O)Oc1cccc(C(=O)[O-])c1	ZINC000825664838	602179681	/nfs/dbraw/zinc/17/96/81/602179681.db2.gz	NJJCJFSDKLHMDL-UHFFFAOYSA-N	-1	0	260.289	3.059	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC000825665330	602283664	/nfs/dbraw/zinc/28/36/64/602283664.db2.gz	YSUOFIXDPBPTFB-SNVBAGLBSA-N	-1	0	278.304	3.350	20	30		CGEDRM
N#Cc1ccc(COc2cccc(NC(=O)[O-])c2)c(F)c1	ZINC000831126822	603634619	/nfs/dbraw/zinc/63/46/19/603634619.db2.gz	SSLXXEUMMQOYPP-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(OC)ccc1NC(=O)[O-]	ZINC000823496566	603996660	/nfs/dbraw/zinc/99/66/60/603996660.db2.gz	LRJLEHNEMRFKBW-UHFFFAOYSA-N	-1	0	278.308	3.080	20	30		CGEDRM
C=CCOc1ccccc1CNc1ccc(C(=O)[O-])c(C)n1	ZINC000833379105	604460643	/nfs/dbraw/zinc/46/06/43/604460643.db2.gz	ZUSXJQOHMUKPOR-UHFFFAOYSA-N	-1	0	298.342	3.265	20	30		CGEDRM
COCCCCCSCc1cccc(C(=O)[O-])c1C#N	ZINC000833725430	604538959	/nfs/dbraw/zinc/53/89/59/604538959.db2.gz	XURVSYVHMOFDRQ-UHFFFAOYSA-N	-1	0	293.388	3.306	20	30		CGEDRM
Cc1ccc(F)c(OCc2cccc(C(=O)[O-])c2C#N)c1	ZINC000833749685	604549422	/nfs/dbraw/zinc/54/94/22/604549422.db2.gz	RFCPQXLWMNMASX-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
C=CCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1F	ZINC000833374505	604604984	/nfs/dbraw/zinc/60/49/84/604604984.db2.gz	MZYUCNXFPDQFKB-UHFFFAOYSA-N	-1	0	288.322	3.040	20	30		CGEDRM
C=CCCCSCc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833373793	605180831	/nfs/dbraw/zinc/18/08/31/605180831.db2.gz	CWLVJLSOHANIJV-UHFFFAOYSA-N	-1	0	294.372	3.371	20	30		CGEDRM
C[C@@]1(C#N)CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1	ZINC000833552006	605417150	/nfs/dbraw/zinc/41/71/50/605417150.db2.gz	XZLTUMJPXNUNMJ-HIFRSBDPSA-N	-1	0	292.766	3.091	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F	ZINC000833386959	605593872	/nfs/dbraw/zinc/59/38/72/605593872.db2.gz	FPZJXSSMOBUZJG-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(F)c1	ZINC000833387034	605594510	/nfs/dbraw/zinc/59/45/10/605594510.db2.gz	LJLCJJPILXTDQE-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-]	ZINC000833387262	605595049	/nfs/dbraw/zinc/59/50/49/605595049.db2.gz	YXBSNADGDNKVOT-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
C#CCCCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F	ZINC000833362114	605673147	/nfs/dbraw/zinc/67/31/47/605673147.db2.gz	ZTZYJGJNUPTDJF-OAHLLOKOSA-N	-1	0	292.306	3.078	20	30		CGEDRM
C#CCCCCCC(=O)Oc1ccc(C)cc1C(=O)[O-]	ZINC000833361842	605692891	/nfs/dbraw/zinc/69/28/91/605692891.db2.gz	OGOLJDHDFKWFQG-UHFFFAOYSA-N	-1	0	274.316	3.182	20	30		CGEDRM
O=C([O-])N[C@H]1CCCCCC1N=Nc1ccc(Cl)nc1	ZINC000834184170	606080523	/nfs/dbraw/zinc/08/05/23/606080523.db2.gz	NJEFADROBVJQSM-JTQLQIEISA-N	-1	0	296.758	3.103	20	30		CGEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000042233586	620702850	/nfs/dbraw/zinc/70/28/50/620702850.db2.gz	ABVDEKKSONUFFL-JTQLQIEISA-N	-1	0	299.779	3.342	20	30		CGEDRM
COCc1cccc(/C=C\C(=O)c2ccc(OC)cc2[O-])c1	ZINC000255032777	617759549	/nfs/dbraw/zinc/75/95/49/617759549.db2.gz	DUYLMHSFUHWRPA-TWGQIWQCSA-N	-1	0	298.338	3.443	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3c(c2)CCCO3)c1	ZINC000255123143	617947413	/nfs/dbraw/zinc/94/74/13/617947413.db2.gz	DLYXEFFCDDNZHY-UHFFFAOYSA-N	-1	0	298.298	3.376	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255125674	617948049	/nfs/dbraw/zinc/94/80/49/617948049.db2.gz	APTUBJFBJMQHMA-HYXAFXHYSA-N	-1	0	273.244	3.098	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2cccc(F)c2)c1	ZINC000255309907	618190887	/nfs/dbraw/zinc/19/08/87/618190887.db2.gz	BAAXEIDWOVPXEB-YVLHZVERSA-N	-1	0	288.278	3.101	20	30		CGEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2cccs2)c1	ZINC000255597810	618747196	/nfs/dbraw/zinc/74/71/96/618747196.db2.gz	KYACTBGAMHCIQY-SREVYHEPSA-N	-1	0	288.324	3.108	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C/C=C/c2ccc(F)cc2)c1	ZINC000179733247	618799657	/nfs/dbraw/zinc/79/96/57/618799657.db2.gz	NZQGFDMTGSIHHA-OWOJBTEDSA-N	-1	0	296.301	3.445	20	30		CGEDRM
CCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCC1	ZINC000179741236	618800018	/nfs/dbraw/zinc/80/00/18/618800018.db2.gz	BWLFQSOZTMODNF-UHFFFAOYSA-N	-1	0	258.321	3.173	20	30		CGEDRM
Oc1ccc(Cl)cc1/C=N\C1CCC2(CC1)OCCO2	ZINC000255882568	618844292	/nfs/dbraw/zinc/84/42/92/618844292.db2.gz	OJGCGKVNDVIECD-YVLHZVERSA-N	-1	0	295.766	3.150	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000006338581	619259191	/nfs/dbraw/zinc/25/91/91/619259191.db2.gz	YKIGMBQDQYYDAH-XCVCLJGOSA-N	-1	0	297.266	3.189	20	30		CGEDRM
CCCCCC[C@@H](C)NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800814493	620357471	/nfs/dbraw/zinc/35/74/71/620357471.db2.gz	WOGXFJWAEIKDHY-LLVKDONJSA-N	-1	0	279.384	3.304	20	30		CGEDRM
O=C([O-])c1cc(C=NOCCC2CC2)sc1Cl	ZINC000901246449	620845858	/nfs/dbraw/zinc/84/58/58/620845858.db2.gz	ZKSHWFZRZHFBKI-UHFFFAOYSA-N	-1	0	273.741	3.250	20	30		CGEDRM
C=CCC[C@@H](N[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901690775	620990134	/nfs/dbraw/zinc/99/01/34/620990134.db2.gz	QPIGYEDYTLZJME-UONOGXRCSA-N	-1	0	297.345	3.262	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000907772552	622311497	/nfs/dbraw/zinc/31/14/97/622311497.db2.gz	RBYOAANBYHQUDJ-QMMMGPOBSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1NCC	ZINC000907787386	622312799	/nfs/dbraw/zinc/31/27/99/622312799.db2.gz	BFGBOJHSSVLTPM-NSHDSACASA-N	-1	0	290.363	3.357	20	30		CGEDRM
C=C1CCC(C(=O)NCCCCC2(C(=O)[O-])CCC2)CC1	ZINC000908333967	622342137	/nfs/dbraw/zinc/34/21/37/622342137.db2.gz	XRNBEKPIIXICGK-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000908635906	622360503	/nfs/dbraw/zinc/36/05/03/622360503.db2.gz	DJJNDQNWNSGBAB-LLVKDONJSA-N	-1	0	298.289	3.165	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000909837704	622430269	/nfs/dbraw/zinc/43/02/69/622430269.db2.gz	YSNDVRCDEVUWFH-LLVKDONJSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21	ZINC000909955544	622441430	/nfs/dbraw/zinc/44/14/30/622441430.db2.gz	ABLRZXCDFWEGCU-IHRRRGAJSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000910378695	622481591	/nfs/dbraw/zinc/48/15/91/622481591.db2.gz	GLNDGQDJHVHPOU-UHFFFAOYSA-N	-1	0	293.407	3.130	20	30		CGEDRM
CCCCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000769511594	625571303	/nfs/dbraw/zinc/57/13/03/625571303.db2.gz	IKJVJIAEUNYQPE-AWEZNQCLSA-N	-1	0	283.412	3.450	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910922588	622509456	/nfs/dbraw/zinc/50/94/56/622509456.db2.gz	KVSYJBLBIVGTMK-HIFRSBDPSA-N	-1	0	289.375	3.024	20	30		CGEDRM
N#Cc1ccccc1/C=C\c1ncc(/C=C\C(=O)[O-])s1	ZINC000755601647	625573078	/nfs/dbraw/zinc/57/30/78/625573078.db2.gz	QAOACFXLXOFWLT-SFECMWDFSA-N	-1	0	282.324	3.283	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1O	ZINC000156705457	622836013	/nfs/dbraw/zinc/83/60/13/622836013.db2.gz	NURNTHQOPBIBTR-QPJJXVBHSA-N	-1	0	284.311	3.311	20	30		CGEDRM
O=C(/C=C/c1cccc(O)c1)c1ccc(F)cc1[O-]	ZINC000156717343	622841116	/nfs/dbraw/zinc/84/11/16/622841116.db2.gz	HOBHJYZCZQZBQH-QPJJXVBHSA-N	-1	0	258.248	3.133	20	30		CGEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000076765095	623052768	/nfs/dbraw/zinc/05/27/68/623052768.db2.gz	GQZJEJNXBUHZCF-UHFFFAOYSA-N	-1	0	287.768	3.175	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1	ZINC000915106840	623896200	/nfs/dbraw/zinc/89/62/00/623896200.db2.gz	VUWMVGDYPCXRMX-YHYXMXQVSA-N	-1	0	284.286	3.349	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000916870410	624220591	/nfs/dbraw/zinc/22/05/91/624220591.db2.gz	HOZWOQQQCMOWJG-OAHLLOKOSA-N	-1	0	293.322	3.211	20	30		CGEDRM
C[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000920178887	624453514	/nfs/dbraw/zinc/45/35/14/624453514.db2.gz	YZBIBAGJADWLFA-BQNBSLLUSA-N	-1	0	282.727	3.419	20	30		CGEDRM
CC(C)(C)CS(=O)(=O)[N-]C(=O)c1coc2ccccc12	ZINC000073534410	625789906	/nfs/dbraw/zinc/78/99/06/625789906.db2.gz	IMKSHXHUQNZWGC-UHFFFAOYSA-N	-1	0	295.360	3.113	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccc(C#N)c2)c([O-])c1	ZINC000156710473	626066388	/nfs/dbraw/zinc/06/63/88/626066388.db2.gz	OMRPJYOKACFCNT-SOFGYWHQSA-N	-1	0	263.296	3.468	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CSCCC(C)C	ZINC000073837511	626069688	/nfs/dbraw/zinc/06/96/88/626069688.db2.gz	KGGYVQIDLDLYRE-UHFFFAOYSA-N	-1	0	295.470	3.241	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccc[nH]1)c1nc2ccccc2o1	ZINC000788082251	626095539	/nfs/dbraw/zinc/09/55/39/626095539.db2.gz	YKMQYYSUDFTDHO-ABZNLYFFSA-N	-1	0	277.283	3.046	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000923111822	626131283	/nfs/dbraw/zinc/13/12/83/626131283.db2.gz	ULORZPHSXHBWAO-UHFFFAOYSA-N	-1	0	292.310	3.101	20	30		CGEDRM
COc1ccc(NN=C(C)c2cccc(C(=O)[O-])c2)cc1	ZINC000750926416	626369412	/nfs/dbraw/zinc/36/94/12/626369412.db2.gz	XDEPFEFZVJLCCB-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
C#CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000756845728	626737285	/nfs/dbraw/zinc/73/72/85/626737285.db2.gz	GKXBFJFFNFISKO-UWCCDQBKSA-N	-1	0	294.310	3.484	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC=CCC1	ZINC000756905566	626740248	/nfs/dbraw/zinc/74/02/48/626740248.db2.gz	DFOMBCJFXPRQEA-LLVKDONJSA-N	-1	0	274.320	3.147	20	30		CGEDRM
O=c1[n-]c(N=NC[C@H]2CC=CCC2)nc2ccccc21	ZINC000757585171	626790842	/nfs/dbraw/zinc/79/08/42/626790842.db2.gz	ZHLYBQDFXIXKAH-NSHDSACASA-N	-1	0	268.320	3.089	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCc3ccccc32)c1	ZINC000759718461	626917497	/nfs/dbraw/zinc/91/74/97/626917497.db2.gz	XMESGKABPMWANL-HNNXBMFYSA-N	-1	0	292.338	3.322	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2ccccc2F)c1	ZINC000759714193	626917806	/nfs/dbraw/zinc/91/78/06/626917806.db2.gz	XTBOOGAZRSZYAD-SOFGYWHQSA-N	-1	0	282.274	3.055	20	30		CGEDRM
C=C[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805197305	626941636	/nfs/dbraw/zinc/94/16/36/626941636.db2.gz	BTKNXDGLIFFLNI-SSDOTTSWSA-N	-1	0	289.162	3.073	20	30		CGEDRM
O=C(/C=C/c1cccc(-n2cccn2)c1)c1ccccc1[O-]	ZINC000760263370	626950286	/nfs/dbraw/zinc/95/02/86/626950286.db2.gz	GUSPQEFICYLXSR-MDZDMXLPSA-N	-1	0	290.322	3.474	20	30		CGEDRM
C=CCCCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000805220489	627020971	/nfs/dbraw/zinc/02/09/71/627020971.db2.gz	UCNFESZWDMCDRN-UHFFFAOYSA-N	-1	0	292.335	3.167	20	30		CGEDRM
O=C([O-])c1ccc(N=NC=CCc2ccc(F)cc2)nc1	ZINC000763368310	627154223	/nfs/dbraw/zinc/15/42/23/627154223.db2.gz	LKIXKIMKEYILPB-JFVURICHSA-N	-1	0	285.278	3.030	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(C)cc1	ZINC000763370969	627154429	/nfs/dbraw/zinc/15/44/29/627154429.db2.gz	WCYCWCLCWIADBP-UHFFFAOYSA-N	-1	0	283.331	3.314	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c(F)cccc2Cl)nc1	ZINC000763371938	627154778	/nfs/dbraw/zinc/15/47/78/627154778.db2.gz	NBKDQPAUGQMWRY-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1	ZINC000765826888	627274246	/nfs/dbraw/zinc/27/42/46/627274246.db2.gz	URPBMTVXBOMWOZ-WAYWQWQTSA-N	-1	0	283.308	3.214	20	30		CGEDRM
O=C(/C=C\c1cncs1)c1cc(F)cc(F)c1[O-]	ZINC000767731106	627433631	/nfs/dbraw/zinc/43/36/31/627433631.db2.gz	WNWKSOSITDZKOS-UPHRSURJSA-N	-1	0	267.256	3.023	20	30		CGEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000768757758	627496646	/nfs/dbraw/zinc/49/66/46/627496646.db2.gz	QPXZZMVYTJDFFT-XQRVVYSFSA-N	-1	0	276.723	3.282	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Cc3c(cccc3F)C2=O)c1	ZINC000774127950	627949210	/nfs/dbraw/zinc/94/92/10/627949210.db2.gz	YCXUOLCGOCSRMW-XYOKQWHBSA-N	-1	0	282.270	3.346	20	30		CGEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(Cl)c2[O-])C1	ZINC000775747012	628132882	/nfs/dbraw/zinc/13/28/82/628132882.db2.gz	GBLJPOHQJUDMRF-ZUZCIYMTSA-N	-1	0	292.766	3.248	20	30		CGEDRM
Cc1ccc(C#N)cc1NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000779590440	628417612	/nfs/dbraw/zinc/41/76/12/628417612.db2.gz	PVLUXGYPLNTBQK-UHFFFAOYSA-N	-1	0	283.287	3.093	20	30		CGEDRM
CCCC(C)(C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000787472932	629014311	/nfs/dbraw/zinc/01/43/11/629014311.db2.gz	CBCAJPNFNQWLJQ-UHFFFAOYSA-N	-1	0	260.337	3.419	20	30		CGEDRM
C[C@]1(C#N)CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000792173376	629344410	/nfs/dbraw/zinc/34/44/10/629344410.db2.gz	DVLHLDFJOVGZDR-CQSZACIVSA-N	-1	0	282.746	3.310	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000862543920	629397614	/nfs/dbraw/zinc/39/76/14/629397614.db2.gz	QAFINCIWIODZEX-SNVBAGLBSA-N	-1	0	265.740	3.084	20	30		CGEDRM
CC[C@H](NN=Cc1sc2ccccc2c1Cl)C(=O)[O-]	ZINC000793073450	629408116	/nfs/dbraw/zinc/40/81/16/629408116.db2.gz	VMYHSIIPFZZWAI-VIFPVBQESA-N	-1	0	296.779	3.341	20	30		CGEDRM
CCc1c2ccccc2oc1C(C)=NN[C@@H](CC)C(=O)[O-]	ZINC000793079816	629408501	/nfs/dbraw/zinc/40/85/01/629408501.db2.gz	UFFUUEZKOUMVKF-ZDUSSCGKSA-N	-1	0	288.347	3.172	20	30		CGEDRM
CC[C@@H](NN=C/C(C)=C/c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793080425	629408815	/nfs/dbraw/zinc/40/88/15/629408815.db2.gz	YWNBKPCZKFRKAO-JCMWHDHSSA-N	-1	0	280.755	3.182	20	30		CGEDRM
C[C@@H]1CC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000794677260	629565435	/nfs/dbraw/zinc/56/54/35/629565435.db2.gz	TZRXOAVUAPTDRS-ICHVYKMMSA-N	-1	0	268.700	3.171	20	30		CGEDRM
CC(C)n1nccc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000794942950	629604267	/nfs/dbraw/zinc/60/42/67/629604267.db2.gz	TWERVUBXAMEUGH-ONEGZZNKSA-N	-1	0	290.344	3.120	20	30		CGEDRM
Cc1[nH]c(C=NNc2cccc3ncccc32)cc1C(=O)[O-]	ZINC000800810204	630300826	/nfs/dbraw/zinc/30/08/26/630300826.db2.gz	ITQHKNNIKXSPCM-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
C#C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C	ZINC000806551487	630565509	/nfs/dbraw/zinc/56/55/09/630565509.db2.gz	LGRUDRIDYYANBF-VJMCZWTHSA-N	-1	0	294.738	3.421	20	30		CGEDRM
CCC(=NNc1cccc(C(=O)[O-])c1)c1ccco1	ZINC000814688003	631624500	/nfs/dbraw/zinc/62/45/00/631624500.db2.gz	ZPVPSTXYWDWTET-UHFFFAOYSA-N	-1	0	258.277	3.204	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=Nn1cnc2ccccc21	ZINC000814779882	631638085	/nfs/dbraw/zinc/63/80/85/631638085.db2.gz	UREVVHYLZHEUMH-UHFFFAOYSA-N	-1	0	293.326	3.234	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccc(F)c(F)c1	ZINC000814807951	631645532	/nfs/dbraw/zinc/64/55/32/631645532.db2.gz	RNPODKYPUBIXKM-UHFFFAOYSA-N	-1	0	296.317	3.075	20	30		CGEDRM
C[C@@H]1C(N=Nc2cc(F)cc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814813070	631647400	/nfs/dbraw/zinc/64/74/00/631647400.db2.gz	HHZZFEOCRCPOOK-DTWKUNHWSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C[C@H]1C(=NNCCCc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814837635	631652610	/nfs/dbraw/zinc/65/26/10/631652610.db2.gz	DWIWLEVEBSAFFR-UKRRQHHQSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(F)cn2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814842458	631654212	/nfs/dbraw/zinc/65/42/12/631654212.db2.gz	ISLPZRRYFIYRMY-MWLCHTKSSA-N	-1	0	293.342	3.146	20	30		CGEDRM
Cc1cc(F)ccc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814884936	631664969	/nfs/dbraw/zinc/66/49/69/631664969.db2.gz	FDDDBQCGMMBOJD-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@H]1CC1(C)C	ZINC000814886733	631665746	/nfs/dbraw/zinc/66/57/46/631665746.db2.gz	IHUOJCAHSICQGB-LLVKDONJSA-N	-1	0	276.336	3.227	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cc(Cl)ccn1	ZINC000814897755	631669452	/nfs/dbraw/zinc/66/94/52/631669452.db2.gz	DGNOPWRURGAIEK-BDAKNGLRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1CC(=NOC2CCCCC2)CC[C@H]1C(=O)[O-]	ZINC000814908715	631677118	/nfs/dbraw/zinc/67/71/18/631677118.db2.gz	ANHNBBJALZPIJH-GXFFZTMASA-N	-1	0	253.342	3.213	20	30		CGEDRM
COc1ccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])nc1	ZINC000814909077	631677292	/nfs/dbraw/zinc/67/72/92/631677292.db2.gz	HKGRDTICEBPOOR-LLVKDONJSA-N	-1	0	293.367	3.159	20	30		CGEDRM
CC(N=Nc1cccc(F)n1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814927774	631686588	/nfs/dbraw/zinc/68/65/88/631686588.db2.gz	FTFHNJGBEFOAMB-JTQLQIEISA-N	-1	0	281.331	3.290	20	30		CGEDRM
C[C@@H]1C(N=NCC2CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814933432	631688876	/nfs/dbraw/zinc/68/88/76/631688876.db2.gz	NZQNKRZRJMGYOH-YPMHNXCESA-N	-1	0	280.412	3.279	20	30		CGEDRM
CC[C@H](C)CON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814939465	631692517	/nfs/dbraw/zinc/69/25/17/631692517.db2.gz	RKJHRXZEMWWOAG-HKALDPMFSA-N	-1	0	275.348	3.222	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814939649	631693839	/nfs/dbraw/zinc/69/38/39/631693839.db2.gz	XXKUQGYICDQEJE-DGCLKSJQSA-N	-1	0	293.363	3.325	20	30		CGEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C(F)=C3CCCC3)nc1-2	ZINC000815961842	631844774	/nfs/dbraw/zinc/84/47/74/631844774.db2.gz	BLRFJUSCTGHGBU-NSHDSACASA-N	-1	0	298.321	3.240	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1	ZINC000816834858	632056109	/nfs/dbraw/zinc/05/61/09/632056109.db2.gz	JAQCXMDEKLTMMF-UHFFFAOYSA-N	-1	0	295.323	3.240	20	30		CGEDRM
CC(=NN[C@H](C)c1ccncc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000819819436	632527155	/nfs/dbraw/zinc/52/71/55/632527155.db2.gz	ZQMUEWMLMAKXFN-GXTWGEPZSA-N	-1	0	291.395	3.389	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1nc2ccccc2[nH]1	ZINC000819938684	632541515	/nfs/dbraw/zinc/54/15/15/632541515.db2.gz	ZKUVPDYDZJRZLO-JTQLQIEISA-N	-1	0	269.279	3.147	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000821714233	632810716	/nfs/dbraw/zinc/81/07/16/632810716.db2.gz	RLAYSKMUZKRNJE-UHFFFAOYSA-N	-1	0	276.361	3.155	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC000824972412	633312868	/nfs/dbraw/zinc/31/28/68/633312868.db2.gz	NHUYTVXMMUXKHN-SNVBAGLBSA-N	-1	0	281.302	3.099	20	30		CGEDRM
C[C@]1(C#N)CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000826005805	633395655	/nfs/dbraw/zinc/39/56/55/633395655.db2.gz	MSOVIJJEUGFSTQ-CYBMUJFWSA-N	-1	0	299.157	3.075	20	30		CGEDRM
C[C@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835007141	634311855	/nfs/dbraw/zinc/31/18/55/634311855.db2.gz	PNUFOPLRKIZKHV-QWRGUYRKSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@@]1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCCS1	ZINC000835008176	634312352	/nfs/dbraw/zinc/31/23/52/634312352.db2.gz	CCRGGJZOGSAKSV-ZDUSSCGKSA-N	-1	0	282.340	3.207	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCCSC2)cc1F	ZINC000835008317	634312577	/nfs/dbraw/zinc/31/25/77/634312577.db2.gz	FJNMIHNGIYPYFK-SECBINFHSA-N	-1	0	282.340	3.065	20	30		CGEDRM
C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])nc2)[C@H]1C	ZINC000835007536	634312692	/nfs/dbraw/zinc/31/26/92/634312692.db2.gz	XGCUNBOUYBSUBU-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2C2CC2)c(F)c1	ZINC000835008674	634313315	/nfs/dbraw/zinc/31/33/15/634313315.db2.gz	MQWIVILYXBJBLK-JTQLQIEISA-N	-1	0	262.284	3.112	20	30		CGEDRM
CO[C@@]1(C)CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1(C)C	ZINC000835010106	634314095	/nfs/dbraw/zinc/31/40/95/634314095.db2.gz	OLRHAXISRSXVQV-HNNXBMFYSA-N	-1	0	294.326	3.127	20	30		CGEDRM
COC1(CN=Nc2ccc(C(=O)[O-])cc2F)CCCCC1	ZINC000835012309	634316158	/nfs/dbraw/zinc/31/61/58/634316158.db2.gz	OOCPVNCPEPCXNO-UHFFFAOYSA-N	-1	0	294.326	3.271	20	30		CGEDRM
CC(C)C(N=Nc1ccc(C(=O)[O-])cc1F)C1CC1	ZINC000835012412	634316213	/nfs/dbraw/zinc/31/62/13/634316213.db2.gz	PSQOFBRKUFJNAE-UHFFFAOYSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C=C/C=C\CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000877879286	635249703	/nfs/dbraw/zinc/24/97/03/635249703.db2.gz	WHGCRWGRILYUGZ-SREVYHEPSA-N	-1	0	273.380	3.475	20	30		CGEDRM
CC(C)(C)O[C@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000843263979	635628243	/nfs/dbraw/zinc/62/82/43/635628243.db2.gz	LRBCSXIVUFDIHY-UUXMUULJSA-N	-1	0	292.335	3.065	20	30		CGEDRM
CC(C)Cn1nccc1C=CC(=O)c1sccc1[O-]	ZINC000843268993	635629641	/nfs/dbraw/zinc/62/96/41/635629641.db2.gz	PIIITXCVXOOSKP-ONEGZZNKSA-N	-1	0	276.361	3.202	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000210603146	635916583	/nfs/dbraw/zinc/91/65/83/635916583.db2.gz	FFDBRKCJEMDNFY-XQRVVYSFSA-N	-1	0	273.244	3.098	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)C1(C)C	ZINC000844623042	635944797	/nfs/dbraw/zinc/94/47/97/635944797.db2.gz	HAJSHPIYAWGEDQ-CQSZACIVSA-N	-1	0	290.363	3.296	20	30		CGEDRM
Cc1c(N=NCCCC2CCOCC2)cccc1C(=O)[O-]	ZINC000844624356	635945548	/nfs/dbraw/zinc/94/55/48/635945548.db2.gz	PSFNYZJYJGMHAS-UHFFFAOYSA-N	-1	0	290.363	3.298	20	30		CGEDRM
C=C(C)CONC(=O)CC[C@@H]1CCc2ccccc21	ZINC000880547817	636019165	/nfs/dbraw/zinc/01/91/65/636019165.db2.gz	DFCTWKWAEVIQFQ-AWEZNQCLSA-N	-1	0	259.349	3.121	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccccc1Cl	ZINC000846541527	636195968	/nfs/dbraw/zinc/19/59/68/636195968.db2.gz	IKFAUSUYADEHMN-SECBINFHSA-N	-1	0	271.769	3.054	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000846541195	636196640	/nfs/dbraw/zinc/19/66/40/636196640.db2.gz	DZPBDUKJMQVPKY-NXEZZACHSA-N	-1	0	285.796	3.443	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Sc1ccccc1Cl	ZINC000846549859	636200016	/nfs/dbraw/zinc/20/00/16/636200016.db2.gz	LSWTWVKPGCMOPH-NXEZZACHSA-N	-1	0	285.796	3.443	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](OC(C)(C)C)c1ccccc1	ZINC000846550113	636200054	/nfs/dbraw/zinc/20/00/54/636200054.db2.gz	VAQTYMRLRFJNAK-OCCSQVGLSA-N	-1	0	277.364	3.165	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-]	ZINC000106586496	636273370	/nfs/dbraw/zinc/27/33/70/636273370.db2.gz	LEIRSLLKBQVXCU-KRXBUXKQSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CC1(C)C	ZINC000848414325	636570550	/nfs/dbraw/zinc/57/05/50/636570550.db2.gz	LWMZEPLGUQRSTB-ZDUSSCGKSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CC(C)[C@H]1CCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413988	636570689	/nfs/dbraw/zinc/57/06/89/636570689.db2.gz	HAIBVLXDBLJLQS-CYBMUJFWSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056682	636780727	/nfs/dbraw/zinc/78/07/27/636780727.db2.gz	JKBVEIURYIQJEP-NSHDSACASA-N	-1	0	275.414	3.288	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000007333324	636997162	/nfs/dbraw/zinc/99/71/62/636997162.db2.gz	UHPVEJOYUIXQKX-VOTSOKGWSA-N	-1	0	288.324	3.351	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000136496424	637386734	/nfs/dbraw/zinc/38/67/34/637386734.db2.gz	HVKTYRKJHCNLKN-FNORWQNLSA-N	-1	0	299.282	3.205	20	30		CGEDRM
COc1ccccc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136508807	637388252	/nfs/dbraw/zinc/38/82/52/637388252.db2.gz	GSXZVENJCXMTKE-SOFGYWHQSA-N	-1	0	299.282	3.205	20	30		CGEDRM
C#CCC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCCCC1	ZINC000886654617	637632538	/nfs/dbraw/zinc/63/25/38/637632538.db2.gz	HTMDFDIGEVHJIH-UHFFFAOYSA-N	-1	0	293.313	3.126	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000855438828	638199072	/nfs/dbraw/zinc/19/90/72/638199072.db2.gz	PKJZXKHELQCDAC-LLVKDONJSA-N	-1	0	279.767	3.474	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2cccc(Cl)c2)CCC1	ZINC000856029901	638286893	/nfs/dbraw/zinc/28/68/93/638286893.db2.gz	HUCAIVPACUTGQE-UHFFFAOYSA-N	-1	0	279.767	3.386	20	30		CGEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1	ZINC000042247715	639914244	/nfs/dbraw/zinc/91/42/44/639914244.db2.gz	QABQLDMYSFXIAI-UHFFFAOYSA-N	-1	0	299.392	3.167	20	30		CGEDRM
Cc1cc(Cl)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000159863627	640074818	/nfs/dbraw/zinc/07/48/18/640074818.db2.gz	IEPLNCIGWIYVMU-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077880054	640266591	/nfs/dbraw/zinc/26/65/91/640266591.db2.gz	OEMNCJMGLVBGDL-NSHDSACASA-N	-1	0	269.366	3.080	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1	ZINC000091127303	640704434	/nfs/dbraw/zinc/70/44/34/640704434.db2.gz	XFTMGZCUICSMTP-UHFFFAOYSA-N	-1	0	297.376	3.085	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)nc1	ZINC001250461909	805631718	/nfs/dbraw/zinc/63/17/18/805631718.db2.gz	AEWQCOBIEBCYAN-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccs2)c1	ZINC001250923346	805798513	/nfs/dbraw/zinc/79/85/13/805798513.db2.gz	SWWLHVGJDINCRK-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCN(c1nc[n-]c2nc(=S)sc1-2)C(C)(C)C	ZINC001157585963	805840713	/nfs/dbraw/zinc/84/07/13/805840713.db2.gz	YDCCPIIIESTABQ-UHFFFAOYSA-N	-1	0	280.422	3.166	20	30		CGEDRM
C=CCC[C@H](O)CNc1c([S-])cccc1Cl	ZINC001252613306	806089826	/nfs/dbraw/zinc/08/98/26/806089826.db2.gz	WRJMWDCWJDOLDN-VIFPVBQESA-N	-1	0	257.786	3.368	20	30		CGEDRM
CCCCS(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N	ZINC001253871799	806317870	/nfs/dbraw/zinc/31/78/70/806317870.db2.gz	ZBZAZSIVWUOSGK-UHFFFAOYSA-N	-1	0	286.784	3.062	20	30		CGEDRM
CCCCCCCNC(=O)c1c([O-])cc(F)cc1F	ZINC001161678005	806415127	/nfs/dbraw/zinc/41/51/27/806415127.db2.gz	CTOXCGOUPAQKLB-UHFFFAOYSA-N	-1	0	271.307	3.371	20	30		CGEDRM
C=C(CC)CNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC001161804282	806457852	/nfs/dbraw/zinc/45/78/52/806457852.db2.gz	STROWIIWADJHLH-UHFFFAOYSA-N	-1	0	273.254	3.107	20	30		CGEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1F	ZINC000038321600	798886029	/nfs/dbraw/zinc/88/60/29/798886029.db2.gz	QIERSEQUFWDSML-FNORWQNLSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1sccc1C	ZINC000125562016	799002611	/nfs/dbraw/zinc/00/26/11/799002611.db2.gz	KMPGNLZWSOTEIL-GFCCVEGCSA-N	-1	0	292.404	3.076	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Cc3ccccc3C2=O)c1	ZINC000158289074	799070636	/nfs/dbraw/zinc/07/06/36/799070636.db2.gz	RUCOOWPOGGGBKM-ZROIWOOFSA-N	-1	0	264.280	3.207	20	30		CGEDRM
C[C@H]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000176393702	799095020	/nfs/dbraw/zinc/09/50/20/799095020.db2.gz	MYPUROVPRBYKIX-CMPLNLGQSA-N	-1	0	258.321	3.029	20	30		CGEDRM
Cc1ccccc1CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176402460	799096014	/nfs/dbraw/zinc/09/60/14/799096014.db2.gz	IFCLGHQAFNLGGN-UHFFFAOYSA-N	-1	0	280.327	3.144	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000396494512	799508299	/nfs/dbraw/zinc/50/82/99/799508299.db2.gz	LUCPYZSMNQLQGG-LBPRGKRZSA-N	-1	0	273.332	3.007	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccnc2)c1Cl	ZINC000588558350	799711383	/nfs/dbraw/zinc/71/13/83/799711383.db2.gz	PPUGFZQILUCFLI-SREVYHEPSA-N	-1	0	287.702	3.329	20	30		CGEDRM
O=C(/C=C\c1nccn1-c1ccccc1)c1ccccc1[O-]	ZINC000588579404	799716568	/nfs/dbraw/zinc/71/65/68/799716568.db2.gz	SLMPFRPEFOMHKI-KHPPLWFESA-N	-1	0	290.322	3.474	20	30		CGEDRM
COc1ccc(OC)c(C=CC(=O)c2sccc2[O-])c1	ZINC000588599046	799720307	/nfs/dbraw/zinc/72/03/07/799720307.db2.gz	NOTWTWOQTRBREC-HYXAFXHYSA-N	-1	0	290.340	3.367	20	30		CGEDRM
N#CCc1cccc(NCc2ccc(F)c(F)c2[O-])c1	ZINC000703418434	799923910	/nfs/dbraw/zinc/92/39/10/799923910.db2.gz	YDHNOVRRSKXDQW-UHFFFAOYSA-N	-1	0	274.270	3.349	20	30		CGEDRM
Cc1ccsc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809154119	800413836	/nfs/dbraw/zinc/41/38/36/800413836.db2.gz	NKVAQDPNHYHKCS-HWKANZROSA-N	-1	0	288.324	3.356	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(F)c(C(=O)[O-])c3F)ccc2[nH]1	ZINC001205074014	812849268	/nfs/dbraw/zinc/84/92/68/812849268.db2.gz	DPXPPDFBFVGSAY-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cccc(F)c2C#N)c1	ZINC001244176854	803226942	/nfs/dbraw/zinc/22/69/42/803226942.db2.gz	QPSRCLPTWWJVLQ-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(/C=N/O)c(F)c2)c1	ZINC001244178108	803227937	/nfs/dbraw/zinc/22/79/37/803227937.db2.gz	YRGQSVUHACYTOO-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1nc(C)cc(C)c1C#N	ZINC001244417926	803360529	/nfs/dbraw/zinc/36/05/29/803360529.db2.gz	HUWZHAXNTAVAQY-UHFFFAOYSA-N	-1	0	296.326	3.334	20	30		CGEDRM
CC#Cc1cncc(-c2cc(C(=O)[O-])ccc2OCC)c1	ZINC001244421937	803362294	/nfs/dbraw/zinc/36/22/94/803362294.db2.gz	QACGOJXXGPBVGB-UHFFFAOYSA-N	-1	0	281.311	3.217	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(OC(F)(F)F)cc2[O-])c1	ZINC001244463656	803381980	/nfs/dbraw/zinc/38/19/80/803381980.db2.gz	KRFDFSYAMXKTPZ-UHFFFAOYSA-N	-1	0	280.205	3.224	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1ccc(Cl)c([O-])c1F	ZINC001244631667	803475252	/nfs/dbraw/zinc/47/52/52/803475252.db2.gz	WKZHEFKUCZSHOQ-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
COc1ccc(-c2cc(CC(=O)[O-])ccc2F)c(CC#N)c1	ZINC001245318636	803699892	/nfs/dbraw/zinc/69/98/92/803699892.db2.gz	MOQCNPKTUFNRMW-UHFFFAOYSA-N	-1	0	299.301	3.194	20	30		CGEDRM
N#CCC[N@@H+](Cc1cccc(F)c1[O-])C1CCCC1	ZINC001138127632	803864472	/nfs/dbraw/zinc/86/44/72/803864472.db2.gz	IOPBJBBDJVXBLB-UHFFFAOYSA-N	-1	0	262.328	3.190	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc([O-])c(F)c(F)c2F)c1	ZINC001245639777	803877279	/nfs/dbraw/zinc/87/72/79/803877279.db2.gz	XSACTKPOVHZPCK-UHFFFAOYSA-N	-1	0	274.201	3.220	20	30		CGEDRM
COc1cc(C#N)cnc1-c1c(F)ccc([O-])c1Cl	ZINC001245827471	803983518	/nfs/dbraw/zinc/98/35/18/803983518.db2.gz	LYWFUNNHIWZTOL-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cc(C#N)cc(-c2c(F)ccc([O-])c2Cl)n1	ZINC001245830382	803984399	/nfs/dbraw/zinc/98/43/99/803984399.db2.gz	MFOHEGBMCZZMFW-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3cc(F)cc(F)c3)[n-]2)c1	ZINC001245937667	804070737	/nfs/dbraw/zinc/07/07/37/804070737.db2.gz	RWIMZCRBNLVJPH-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
CCCCCCCCNC(=S)N[C@@H]1[CH]CC=C1	ZINC001247186953	804677149	/nfs/dbraw/zinc/67/71/49/804677149.db2.gz	ZVOXFPPBHPWTCI-ZDUSSCGKSA-N	-1	0	253.435	3.344	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cc3cccnc3s2)c(O)c1	ZINC001149534758	805237754	/nfs/dbraw/zinc/23/77/54/805237754.db2.gz	QSHOLXDQFOUKDM-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
N#Cc1cccc(Cc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001250050906	805391545	/nfs/dbraw/zinc/39/15/45/805391545.db2.gz	NMKPVTNJIAWMKL-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
N#Cc1cccc(F)c1[N-]S(=O)(=O)CC1CCCCC1	ZINC001259618868	807683062	/nfs/dbraw/zinc/68/30/62/807683062.db2.gz	ZGPVKPXYOFYIES-UHFFFAOYSA-N	-1	0	296.367	3.019	20	30		CGEDRM
CC(C)C[C@](C)(C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC001265982341	808199102	/nfs/dbraw/zinc/19/91/02/808199102.db2.gz	NRADZYDWMROWAX-CQSZACIVSA-N	-1	0	280.755	3.104	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccnc(OCC2CC2)c1	ZINC001213015473	815200742	/nfs/dbraw/zinc/20/07/42/815200742.db2.gz	VFYAYRQGBUTCTR-UHFFFAOYSA-N	-1	0	287.344	3.253	20	30		CGEDRM
Cc1cnc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001174495928	809043687	/nfs/dbraw/zinc/04/36/87/809043687.db2.gz	XFCYHLMOSKBFGO-AATRIKPKSA-N	-1	0	279.299	3.103	20	30		CGEDRM
C#Cc1cc(Nc2ccc(C(=O)[O-])s2)ccc1F	ZINC001174809982	809168827	/nfs/dbraw/zinc/16/88/27/809168827.db2.gz	YFENXCVBAWHKDG-UHFFFAOYSA-N	-1	0	261.277	3.310	20	30		CGEDRM
C=CCO[N-]C(=O)C1c2ccccc2Oc2ccccc21	ZINC001297984874	809526284	/nfs/dbraw/zinc/52/62/84/809526284.db2.gz	IXLNYZSAPMNRIZ-UHFFFAOYSA-N	-1	0	281.311	3.158	20	30		CGEDRM
N#Cc1ccc(Nc2cncc(C(=O)[O-])c2)c(Cl)c1	ZINC001175842029	809554246	/nfs/dbraw/zinc/55/42/46/809554246.db2.gz	KUKHRAIODVGYLP-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1ccc(Nc2csc(C(=O)[O-])c2)c(F)c1	ZINC001176439035	809698240	/nfs/dbraw/zinc/69/82/40/809698240.db2.gz	HLMUJQPESHUIBX-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001176671455	809739241	/nfs/dbraw/zinc/73/92/41/809739241.db2.gz	DHOTYTBPLAJRRW-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176671421	809739909	/nfs/dbraw/zinc/73/99/09/809739909.db2.gz	YJLFITSGEKYCSS-UHFFFAOYSA-N	-1	0	293.248	3.466	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)cc1	ZINC001213634568	815315607	/nfs/dbraw/zinc/31/56/07/815315607.db2.gz	UCAVZSOZNQVFGC-UHFFFAOYSA-N	-1	0	265.312	3.429	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(C(F)F)nc1	ZINC001184240847	810184086	/nfs/dbraw/zinc/18/40/86/810184086.db2.gz	FUQFNPVWAZTJEU-UHFFFAOYSA-N	-1	0	291.277	3.007	20	30		CGEDRM
C[C@@H]1c2ccccc2CCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241904	810185425	/nfs/dbraw/zinc/18/54/25/810185425.db2.gz	TZPFKPILNGSZOM-CQSZACIVSA-N	-1	0	294.374	3.182	20	30		CGEDRM
CCCCCCN(O)C(=O)[C@@H](OC)C1CCCCC1	ZINC001184315158	810190806	/nfs/dbraw/zinc/19/08/06/810190806.db2.gz	RTUZUUCOBJJYBK-AWEZNQCLSA-N	-1	0	271.401	3.380	20	30		CGEDRM
CCCCCCCNC(=O)Nc1ccc(C#N)cc1O	ZINC001191106904	810676480	/nfs/dbraw/zinc/67/64/80/810676480.db2.gz	WQBUERUSSHJZMX-UHFFFAOYSA-N	-1	0	275.352	3.356	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cnc(C#N)c(C)c1	ZINC001214270964	815392312	/nfs/dbraw/zinc/39/23/12/815392312.db2.gz	VDLZCUXAHWUDOR-UHFFFAOYSA-N	-1	0	297.314	3.102	20	30		CGEDRM
Cc1cc(NC(=O)Nc2cc(C#N)ccc2[O-])ccc1F	ZINC001192391154	810794275	/nfs/dbraw/zinc/79/42/75/810794275.db2.gz	CNEKWIOAUFYDHR-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
Cc1coc(NC(=O)c2nc(C(C)C)cs2)c1C#N	ZINC001193508216	810899594	/nfs/dbraw/zinc/89/95/94/810899594.db2.gz	VGCYTRIDUTUNKA-UHFFFAOYSA-N	-1	0	275.333	3.292	20	30		CGEDRM
Cc1c(F)ccc(F)c1C(=O)Nc1ccc(O)c(C#N)c1	ZINC001196735173	811360919	/nfs/dbraw/zinc/36/09/19/811360919.db2.gz	AWTOZSWXRXZYDP-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)[nH]1	ZINC001199681096	811585190	/nfs/dbraw/zinc/58/51/90/811585190.db2.gz	RGQASAXFSRUYPZ-UHFFFAOYSA-N	-1	0	296.113	3.151	20	30		CGEDRM
N#Cc1cc(OC(F)(F)F)ccc1Nc1cncc(O)c1	ZINC001201646731	811929960	/nfs/dbraw/zinc/92/99/60/811929960.db2.gz	MUPKUKIUWXXERK-UHFFFAOYSA-N	-1	0	295.220	3.301	20	30		CGEDRM
COc1ccc(Nc2ccsc2C(=O)[O-])cc1C#N	ZINC001215394149	815515754	/nfs/dbraw/zinc/51/57/54/815515754.db2.gz	MWBOKUUTMSHYPN-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccsc1C(=O)[O-]	ZINC001215397855	815516402	/nfs/dbraw/zinc/51/64/02/815516402.db2.gz	PYCUAFUDKJHINL-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203293459	812297837	/nfs/dbraw/zinc/29/78/37/812297837.db2.gz	NMXGZLMKGWQZHG-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001203322667	812310328	/nfs/dbraw/zinc/31/03/28/812310328.db2.gz	IXJLRJFSXNMBIF-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1Nc1cc(=O)[n-]c(Cl)n1	ZINC001215645309	815550732	/nfs/dbraw/zinc/55/07/32/815550732.db2.gz	IRIWBFOPKQZIFW-UHFFFAOYSA-N	-1	0	274.711	3.068	20	30		CGEDRM
N#Cc1cncc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001215694344	815559361	/nfs/dbraw/zinc/55/93/61/815559361.db2.gz	AZAHJCLZKBHBJB-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cccnc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215694371	815559712	/nfs/dbraw/zinc/55/97/12/815559712.db2.gz	BSSXOCNLMOHERF-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
COc1cccc(-c2ccc(F)c(C(=O)[O-])c2F)c1C#N	ZINC001205096103	812863948	/nfs/dbraw/zinc/86/39/48/812863948.db2.gz	XLIXRVWFYVAGPQ-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#CCc1cc(-c2ccsc2C(=O)[O-])ccc1F	ZINC001205586987	813013195	/nfs/dbraw/zinc/01/31/95/813013195.db2.gz	VLNBZHKEIFUZCU-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccc([O-])cc1F	ZINC001206022208	813169276	/nfs/dbraw/zinc/16/92/76/813169276.db2.gz	WBSMTJRYDPBIQP-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(O)c1	ZINC001206294993	813275597	/nfs/dbraw/zinc/27/55/97/813275597.db2.gz	QWAXMIFAXJJFNI-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
N#Cc1cc(Nc2cc(Cl)ccc2[S-])ccn1	ZINC001206612916	813374143	/nfs/dbraw/zinc/37/41/43/813374143.db2.gz	HNZHCKABVFUIJA-UHFFFAOYSA-N	-1	0	261.737	3.061	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)c([O-])cc1F)CCC2	ZINC001206775872	813434974	/nfs/dbraw/zinc/43/49/74/813434974.db2.gz	PAHAQGIOUDHRMY-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccccc1C#N	ZINC001210007331	814240057	/nfs/dbraw/zinc/24/00/57/814240057.db2.gz	CIDWTSFCWLAQON-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1cccc(C(=O)[O-])c1F	ZINC001210238446	814359269	/nfs/dbraw/zinc/35/92/69/814359269.db2.gz	FCFPMPSFANOYSO-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210241301	814360459	/nfs/dbraw/zinc/36/04/59/814360459.db2.gz	VYAPYWXJNKLNTP-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1cc(Nc2cccc(C(=O)[O-])c2F)ccc1C#N	ZINC001210241820	814361377	/nfs/dbraw/zinc/36/13/77/814361377.db2.gz	XICDCYBNYDIIAT-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1sc(C)cc1C#N	ZINC001210251966	814367155	/nfs/dbraw/zinc/36/71/55/814367155.db2.gz	DNNASEIRXRIAPG-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cccc(F)c1C#N	ZINC001210257919	814369114	/nfs/dbraw/zinc/36/91/14/814369114.db2.gz	HXUOGTBUAPFGJW-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(F)c(-c2noc(-c3cccc(F)c3[O-])n2)c1	ZINC001215862830	815617413	/nfs/dbraw/zinc/61/74/13/815617413.db2.gz	HCBHAWCJTUBJPW-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
CC(=O)c1ccc(Nc2ccc(F)c([O-])c2)c(C#N)c1	ZINC001211220701	814854732	/nfs/dbraw/zinc/85/47/32/814854732.db2.gz	QTTHDMUVQHKJOF-UHFFFAOYSA-N	-1	0	270.263	3.349	20	30		CGEDRM
N#Cc1cc(Nc2cccc(F)c2[O-])cc([N+](=O)[O-])c1	ZINC001211330234	814880341	/nfs/dbraw/zinc/88/03/41/814880341.db2.gz	NMYFVXDQGKSKNL-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1	ZINC001211333823	814880868	/nfs/dbraw/zinc/88/08/68/814880868.db2.gz	LEZYDWAYXIOWHV-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cc1cc(Nc2ccc(Cl)nc2C#N)cc(C(=O)[O-])c1	ZINC001211535168	814902752	/nfs/dbraw/zinc/90/27/52/814902752.db2.gz	RHYAWHSKSFWMCB-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1ccc(Nc2cc(F)cc(C#N)c2)cc1C(=O)[O-]	ZINC001211601950	814916061	/nfs/dbraw/zinc/91/60/61/814916061.db2.gz	UGMKHKGTFCKILC-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccsc1C#N	ZINC001211618790	814918865	/nfs/dbraw/zinc/91/88/65/814918865.db2.gz	RGSNVQTZFDXQNE-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(F)c(F)c2N)c([O-])cc1F	ZINC001216012021	815661552	/nfs/dbraw/zinc/66/15/52/815661552.db2.gz	YUJLCQBSFZVYBM-UHFFFAOYSA-N	-1	0	297.211	3.146	20	30		CGEDRM
C#Cc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)cn1	ZINC001216308982	815774402	/nfs/dbraw/zinc/77/44/02/815774402.db2.gz	JDPUSWWUNDWXSZ-UHFFFAOYSA-N	-1	0	266.300	3.122	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cccc([S-])c3)c2c1	ZINC001242866073	823158112	/nfs/dbraw/zinc/15/81/12/823158112.db2.gz	WPLCTQVZCFRVEI-UHFFFAOYSA-N	-1	0	263.325	3.457	20	30		CGEDRM
COc1ccc(Nc2cccc(C(=O)[O-])c2C)cc1C#N	ZINC001216661579	815888600	/nfs/dbraw/zinc/88/86/00/815888600.db2.gz	MKGIMTZUGDGCRT-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)cc1	ZINC001216969290	815904467	/nfs/dbraw/zinc/90/44/67/815904467.db2.gz	AIRFGKHAUHIVMJ-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
Cc1ccc(F)cc1-c1noc(-c2ccc(C#N)cc2[O-])n1	ZINC001217038114	815905998	/nfs/dbraw/zinc/90/59/98/815905998.db2.gz	AAXYBCDWBJOXSK-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
[O-]N=Cc1ccccc1-c1ccc(Cl)c(CO)c1F	ZINC001222372471	816421524	/nfs/dbraw/zinc/42/15/24/816421524.db2.gz	FDPVNNCOBZYZCM-UHFFFAOYSA-N	-1	0	279.698	3.447	20	30		CGEDRM
Cc1ccnc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001222658028	816492872	/nfs/dbraw/zinc/49/28/72/816492872.db2.gz	HHAFJCMUSWGTIR-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
C#C[C@H](CCCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223743486	816673211	/nfs/dbraw/zinc/67/32/11/816673211.db2.gz	FOGGNQWSMQVAKL-CQSZACIVSA-N	-1	0	296.388	3.032	20	30		CGEDRM
C=C[C@@H](CCCCCCC)OCC[P@@](=O)([O-])O	ZINC001224601713	816831702	/nfs/dbraw/zinc/83/17/02/816831702.db2.gz	JYOBFIFIYTWJHZ-LBPRGKRZSA-N	-1	0	264.302	3.096	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(F)c([O-])c1	ZINC001243049179	823225896	/nfs/dbraw/zinc/22/58/96/823225896.db2.gz	DHOKGXPLZKOPEY-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
CCCCCCC[C@H](C)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225735840	817161338	/nfs/dbraw/zinc/16/13/38/817161338.db2.gz	YSVKBHKSAPLYQF-NSHDSACASA-N	-1	0	296.367	3.097	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225976631	817235980	/nfs/dbraw/zinc/23/59/80/817235980.db2.gz	ASWJVPILZJWHJV-QMMMGPOBSA-N	-1	0	276.258	3.325	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCCc2ccccc21	ZINC001226012545	817248449	/nfs/dbraw/zinc/24/84/49/817248449.db2.gz	AUKBJFRUNVHOPP-AWEZNQCLSA-N	-1	0	284.290	3.254	20	30		CGEDRM
CC[C@H]1CCCC[C@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013869	817249673	/nfs/dbraw/zinc/24/96/73/817249673.db2.gz	SBHAJCQREFQEHE-JOYOIKCWSA-N	-1	0	264.300	3.146	20	30		CGEDRM
N#Cc1c(O[C@@H]2C[C@H]3CC[C@@H]2C3)[n-]c(=O)cc1C(F)(F)F	ZINC001226063074	817262492	/nfs/dbraw/zinc/26/24/92/817262492.db2.gz	BJTTWOJFALOFQH-VAOFZXAKSA-N	-1	0	298.264	3.245	20	30		CGEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069029	817263745	/nfs/dbraw/zinc/26/37/45/817263745.db2.gz	YFJLCAQGKAFDAX-SECBINFHSA-N	-1	0	298.264	3.104	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccc(F)c2)c1C#N	ZINC001226222066	817302607	/nfs/dbraw/zinc/30/26/07/817302607.db2.gz	UQFHTQRMCLRIGB-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226780494	817463094	/nfs/dbraw/zinc/46/30/94/817463094.db2.gz	MJKYAUFPXKLYHE-SECBINFHSA-N	-1	0	278.381	3.155	20	30		CGEDRM
COc1cc(-c2cc(C)cc(C(=O)[O-])c2)ccc1CC#N	ZINC001243182448	823277732	/nfs/dbraw/zinc/27/77/32/823277732.db2.gz	NWSPVIAECATSNS-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=S)nnc2C)C1	ZINC001227597362	817677792	/nfs/dbraw/zinc/67/77/92/817677792.db2.gz	BIAASCDZWYWPME-NEPJUHHUSA-N	-1	0	277.393	3.149	20	30		CGEDRM
COc1nc(C)c(-c2ccc(C(=O)[O-])cc2C)c(C)c1C#N	ZINC001243204102	823289813	/nfs/dbraw/zinc/28/98/13/823289813.db2.gz	YIDJFRWLDASPSO-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
Cc1cc(-c2ccc(F)cc2OCC#N)ccc1C(=O)[O-]	ZINC001243214289	823295897	/nfs/dbraw/zinc/29/58/97/823295897.db2.gz	FYZNVLNSBMLVMZ-UHFFFAOYSA-N	-1	0	285.274	3.402	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(C)c2)c(CC#N)c1	ZINC001243215584	823296344	/nfs/dbraw/zinc/29/63/44/823296344.db2.gz	SICMGXWVVFJCCD-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]ncc(=O)c2Cl)O1	ZINC001228388942	817895302	/nfs/dbraw/zinc/89/53/02/817895302.db2.gz	XXPIUAGMILTZGB-QMTHXVAHSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C#C[C@H](Oc1[n-]ncc(=O)c1Cl)[C@@H](CC)CCCC	ZINC001228387350	817895447	/nfs/dbraw/zinc/89/54/47/817895447.db2.gz	NJHZYEFHGHKXDO-JQWIXIFHSA-N	-1	0	282.771	3.433	20	30		CGEDRM
CCC#C[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	ZINC001233499280	818629279	/nfs/dbraw/zinc/62/92/79/818629279.db2.gz	NQPYDMNSZBZNHS-MRVPVSSYSA-N	-1	0	293.710	3.305	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc([O-])c(F)c1F	ZINC001243343482	823358707	/nfs/dbraw/zinc/35/87/07/823358707.db2.gz	DLZWJTZQECNFKW-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915276	818730800	/nfs/dbraw/zinc/73/08/00/818730800.db2.gz	GIAXZSSNXAPJEN-GFCCVEGCSA-N	-1	0	260.337	3.481	20	30		CGEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234510784	818870866	/nfs/dbraw/zinc/87/08/66/818870866.db2.gz	FQYBJLUYGSZJLH-UHFFFAOYSA-N	-1	0	281.315	3.107	20	30		CGEDRM
C=C[C@@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234813721	818923885	/nfs/dbraw/zinc/92/38/85/818923885.db2.gz	KHKDGFHOELNXPC-NSHDSACASA-N	-1	0	260.289	3.150	20	30		CGEDRM
C[C@H](C#N)N(C)Cc1cccc(-c2ccccc2)c1O	ZINC001234996398	818971889	/nfs/dbraw/zinc/97/18/89/818971889.db2.gz	CCRFUNNCHYRBJD-CYBMUJFWSA-N	-1	0	266.344	3.403	20	30		CGEDRM
COc1cc(-c2c(F)cc(F)c([O-])c2F)cc(F)c1C#N	ZINC001235999295	819267489	/nfs/dbraw/zinc/26/74/89/819267489.db2.gz	CJULJTDMIMMYGC-UHFFFAOYSA-N	-1	0	297.207	3.496	20	30		CGEDRM
N#CCc1cnc(F)c(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001236000836	819268113	/nfs/dbraw/zinc/26/81/13/819268113.db2.gz	XPZPUVFWEAWVKL-UHFFFAOYSA-N	-1	0	282.196	3.077	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1ccc(C(=O)[O-])cc1	ZINC001236053565	819290358	/nfs/dbraw/zinc/29/03/58/819290358.db2.gz	IPDXGPUPUOZELP-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2ccc(C(=O)[O-])cc2)[nH]1	ZINC001236061819	819295320	/nfs/dbraw/zinc/29/53/20/819295320.db2.gz	IFQSKIMPKDTQFC-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001236141910	819341939	/nfs/dbraw/zinc/34/19/39/819341939.db2.gz	DLEZAWJKLSVBCI-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1nccc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1C#N	ZINC001236177639	819355622	/nfs/dbraw/zinc/35/56/22/819355622.db2.gz	ICKVWAZRIXNKPX-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3cc(F)cc(F)c3[O-])c12	ZINC001243504432	823422515	/nfs/dbraw/zinc/42/25/15/823422515.db2.gz	RDBFPMPMVWOFKL-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cc(F)cc(F)c3[O-])c2c1	ZINC001243500916	823421020	/nfs/dbraw/zinc/42/10/20/823421020.db2.gz	VWVRJZWCHFMNAE-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
Cc1ncc(C#N)c(-c2ccc(C(F)(F)F)cc2[O-])n1	ZINC001243609006	823466292	/nfs/dbraw/zinc/46/62/92/823466292.db2.gz	LFCMFIVUTCUBRH-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cc(F)c(C(=O)[O-])c(F)c3)cc12	ZINC001239351528	820285903	/nfs/dbraw/zinc/28/59/03/820285903.db2.gz	IMAQUBJQPSLNHA-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1cc(-c2ccc(S(=O)(=O)[O-])cc2)ccc1Cl	ZINC001240404150	821024174	/nfs/dbraw/zinc/02/41/74/821024174.db2.gz	IVVOQOAKFUNJFJ-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1cc(F)ccc1[O-]	ZINC001240694111	821250028	/nfs/dbraw/zinc/25/00/28/821250028.db2.gz	MNZOOCIAWJGKGH-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(OC)c2)cc1CC#N	ZINC001240742915	821294109	/nfs/dbraw/zinc/29/41/09/821294109.db2.gz	MSJDGBRWRCRLFF-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1cc(-c2ccc(C#N)c3[nH]ccc32)ccc1C(=O)[O-]	ZINC001240744811	821296753	/nfs/dbraw/zinc/29/67/53/821296753.db2.gz	OVLKMCVNBWDKIY-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240975975	821459429	/nfs/dbraw/zinc/45/94/29/821459429.db2.gz	MXTMINRRCPYXTG-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1cnc2cc(-c3ccc(CC(=O)[O-])cc3)ccc2c1	ZINC001240976802	821460414	/nfs/dbraw/zinc/46/04/14/821460414.db2.gz	YKYKZEOUUKCWKP-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1F	ZINC001241187135	821623753	/nfs/dbraw/zinc/62/37/53/821623753.db2.gz	MZQKXFUEBJOXBW-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
N#CC1(c2ccc(-c3cccc(C(=O)[O-])c3)nc2)CCC1	ZINC001241356902	821758346	/nfs/dbraw/zinc/75/83/46/821758346.db2.gz	DIRNSUYQXVNXLN-UHFFFAOYSA-N	-1	0	278.311	3.392	20	30		CGEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2)cc1F	ZINC001241359506	821760706	/nfs/dbraw/zinc/76/07/06/821760706.db2.gz	JXNIWURTQPSVFU-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(C(=O)[O-])cc(F)c2C)n1	ZINC001242204916	822909358	/nfs/dbraw/zinc/90/93/58/822909358.db2.gz	QOEXSQZZVRAELW-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc2cc[nH]c2nc1C#N	ZINC001242210937	822911644	/nfs/dbraw/zinc/91/16/44/822911644.db2.gz	NLYCQLSJFROVBP-UHFFFAOYSA-N	-1	0	295.273	3.199	20	30		CGEDRM
N#Cc1cc(-c2ccc(F)cc2[O-])ncc1C(F)(F)F	ZINC001242216478	822914179	/nfs/dbraw/zinc/91/41/79/822914179.db2.gz	URXUVLXPYOBELU-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1cc(F)cc(-c2cccc(CC(=O)[O-])c2)c1C#N	ZINC001242262167	822929339	/nfs/dbraw/zinc/92/93/39/822929339.db2.gz	JKPUMXOPZBDFBR-UHFFFAOYSA-N	-1	0	269.275	3.300	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3cccc(CC(=O)[O-])c3)cc12	ZINC001242261762	822929461	/nfs/dbraw/zinc/92/94/61/822929461.db2.gz	CUOQGORSPDDERB-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cccc(CC(=O)[O-])c1	ZINC001242262802	822929734	/nfs/dbraw/zinc/92/97/34/822929734.db2.gz	SKHGCBDTMQHEPY-UHFFFAOYSA-N	-1	0	281.311	3.055	20	30		CGEDRM
C=CCOc1ccc(-c2cccc(F)c2[O-])nc1C#N	ZINC001242350720	822961507	/nfs/dbraw/zinc/96/15/07/822961507.db2.gz	SZHUWLWEZYLLNN-UHFFFAOYSA-N	-1	0	270.263	3.030	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3cccc(Cl)c3[O-])c12	ZINC001242364597	822968151	/nfs/dbraw/zinc/96/81/51/822968151.db2.gz	FWDFHZCVHIKFFJ-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(F)c1C#N	ZINC001242390401	822978880	/nfs/dbraw/zinc/97/88/80/822978880.db2.gz	LBWQEWGDBRQRTH-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccccc1CC#N	ZINC001242391028	822979274	/nfs/dbraw/zinc/97/92/74/822979274.db2.gz	UUNVWFDHTDJMRP-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#Cc1cc(-c2cc(C(F)(F)F)c(C#N)cn2)ccc1[O-]	ZINC001242562683	823033526	/nfs/dbraw/zinc/03/35/26/823033526.db2.gz	HHBQYHSCQRLCSY-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
CCc1oc2ccccc2c1C([O-])=C(C#N)c1ccncn1	ZINC001342660322	936474051	/nfs/dbraw/zinc/47/40/51/936474051.db2.gz	UVASUZMSFNZCJI-LBPRGKRZSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1oc(C(C)(C)C)cc1C([O-])=C(C#N)c1ccncn1	ZINC001345580386	936815204	/nfs/dbraw/zinc/81/52/04/936815204.db2.gz	PCXWRKCZEDJKGY-GFCCVEGCSA-N	-1	0	283.331	3.166	20	30		CGEDRM
CC[C@@H](F)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC001345951256	936830824	/nfs/dbraw/zinc/83/08/24/936830824.db2.gz	IEWVCGCMGVNKNR-NWDGAFQWSA-N	-1	0	286.306	3.116	20	30		CGEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001349703373	936959026	/nfs/dbraw/zinc/95/90/26/936959026.db2.gz	WUZQUOJPMICXOG-SNVBAGLBSA-N	-1	0	291.738	3.280	20	30		CGEDRM
C[C@H](Cc1ccsc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000124768857	926951454	/nfs/dbraw/zinc/95/14/54/926951454.db2.gz	ZKNABZRLGCKITH-XBLUXWHVSA-N	-1	0	290.344	3.412	20	30		CGEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(Cl)c1	ZINC001228900338	932047927	/nfs/dbraw/zinc/04/79/27/932047927.db2.gz	FDLMAKJLACISIV-VIFPVBQESA-N	-1	0	274.707	3.452	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccc(F)c(F)c1	ZINC001228903174	932049609	/nfs/dbraw/zinc/04/96/09/932049609.db2.gz	VSVBXKZPPAKWJB-MRVPVSSYSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C=CC[C@@H](C)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229354577	932138282	/nfs/dbraw/zinc/13/82/82/932138282.db2.gz	ZTRULKFOIWKOSV-LLVKDONJSA-N	-1	0	292.356	3.430	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc[n-]c(=O)c2Cl)O1	ZINC001230013164	932521175	/nfs/dbraw/zinc/52/11/75/932521175.db2.gz	FCLRYKUVJCKAFT-YMTOWFKASA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230884176	932634821	/nfs/dbraw/zinc/63/48/21/932634821.db2.gz	OCFMVWFLJKLQEG-SNVBAGLBSA-N	-1	0	262.284	3.208	20	30		CGEDRM
CC(=O)c1csc(C(=O)N(O)Cc2ccc(F)cc2)c1	ZINC001306900398	932893165	/nfs/dbraw/zinc/89/31/65/932893165.db2.gz	NLQSFGPELSERJZ-UHFFFAOYSA-N	-1	0	293.319	3.121	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1CCC#N	ZINC001317892292	933663770	/nfs/dbraw/zinc/66/37/70/933663770.db2.gz	PWVFPCHANSFHSU-LBPRGKRZSA-N	-1	0	275.739	3.291	20	30		CGEDRM
C#CCC1(C(=O)[N-]Oc2ccc(F)cc2)CCCCC1	ZINC001469938094	937746138	/nfs/dbraw/zinc/74/61/38/937746138.db2.gz	SLZKHFLIOJSHOP-UHFFFAOYSA-N	-1	0	275.323	3.210	20	30		CGEDRM
CCCCCCCC[C@@H](C)C(=O)NC1(C(=O)[O-])CC1	ZINC001328336828	935130489	/nfs/dbraw/zinc/13/04/89/935130489.db2.gz	GADGOMIWBLMITO-GFCCVEGCSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1c([O-])cccc1F	ZINC001332407219	935466905	/nfs/dbraw/zinc/46/69/05/935466905.db2.gz	RRQGARNAVKBJJC-FPLPWBNLSA-N	-1	0	288.322	3.448	20	30		CGEDRM
N#CC(=C([O-])C1=CCCCC1)c1ncc(F)cc1F	ZINC001518065699	938014048	/nfs/dbraw/zinc/01/40/48/938014048.db2.gz	PXODAKHYOGDEDF-LLVKDONJSA-N	-1	0	262.259	3.036	20	30		CGEDRM
N#CC(=C([O-])c1cnc(C2CC2)s1)c1cccc(F)n1	ZINC001524705145	938044848	/nfs/dbraw/zinc/04/48/48/938044848.db2.gz	NYPPVSMSTFCFQT-VIFPVBQESA-N	-1	0	287.319	3.045	20	30		CGEDRM
C=C(C)CONC(=O)CCc1ccc2ccccc2c1O	ZINC001557329694	938209357	/nfs/dbraw/zinc/20/93/57/938209357.db2.gz	NTZUXSYBUJDDDM-UHFFFAOYSA-N	-1	0	285.343	3.102	20	30		CGEDRM
C=C(C)CO[N-]C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O	ZINC001557330115	938209370	/nfs/dbraw/zinc/20/93/70/938209370.db2.gz	VRSZPEQPSVMKFF-UHFFFAOYSA-N	-1	0	298.342	3.000	20	30		CGEDRM
CCCCCCCCC(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC000383052238	951236718	/nfs/dbraw/zinc/23/67/18/951236718.db2.gz	NKGRIGHGYPUIAW-GFCCVEGCSA-N	-1	0	269.385	3.201	20	30		CGEDRM
Cc1ccc(OCc2ccccc2C#N)c(C(=O)[O-])c1	ZINC000013013930	956905294	/nfs/dbraw/zinc/90/52/94/956905294.db2.gz	YOLMEOWTVONNOB-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
CCCCCCCCC(=O)Nc1cccnc1C(=O)[O-]	ZINC000132200288	958774579	/nfs/dbraw/zinc/77/45/79/958774579.db2.gz	IIDSBMYQVMSJRW-UHFFFAOYSA-N	-1	0	278.352	3.469	20	30		CGEDRM
N#Cc1cc(N2CCC[C@H]2CC(=O)[O-])ccc1C(F)(F)F	ZINC000163848802	959250854	/nfs/dbraw/zinc/25/08/54/959250854.db2.gz	SIPDEOASESTKRF-JTQLQIEISA-N	-1	0	298.264	3.021	20	30		CGEDRM
CC(N=Nc1cccc(C(=O)[O-])c1F)C1CCSCC1	ZINC001589017632	960493883	/nfs/dbraw/zinc/49/38/83/960493883.db2.gz	WOTNJMNWJDIHFL-UHFFFAOYSA-N	-1	0	296.367	3.455	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC001573330019	962247703	/nfs/dbraw/zinc/24/77/03/962247703.db2.gz	RZKJFIINFWYMET-TZMCWYRMSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588535694	962760986	/nfs/dbraw/zinc/76/09/86/962760986.db2.gz	KKPUOBSWIBSNAN-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C(C)C[C@H](Nc1nc2ccccc2s1)C(=O)[O-]	ZINC001573323988	962779676	/nfs/dbraw/zinc/77/96/76/962779676.db2.gz	LDYAGMXYIZUPIS-JTQLQIEISA-N	-1	0	262.334	3.128	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](Oc1ccccc1)c1ccccc1	ZINC001583408112	962804581	/nfs/dbraw/zinc/80/45/81/962804581.db2.gz	JXIRPDZGSGVOPR-RHSMWYFYSA-N	-1	0	297.354	3.429	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC001573348158	962955582	/nfs/dbraw/zinc/95/55/82/962955582.db2.gz	SYWVAQQRLBADHS-BBRMVZONSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC001573348169	962956035	/nfs/dbraw/zinc/95/60/35/962956035.db2.gz	SYWVAQQRLBADHS-CJNGLKHVSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=CCCc1ccccc1NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001573359950	963028788	/nfs/dbraw/zinc/02/87/88/963028788.db2.gz	BOBYMHXCAKKKFH-AAEUAGOBSA-N	-1	0	281.302	3.183	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588682812	963055920	/nfs/dbraw/zinc/05/59/20/963055920.db2.gz	QNDHSOHOIBSYER-ZUZCIYMTSA-N	-1	0	280.320	3.493	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccccc1CCC)C(=O)[O-]	ZINC001573366425	963060527	/nfs/dbraw/zinc/06/05/27/963060527.db2.gz	MDVIXQQAOUKGOF-HNNXBMFYSA-N	-1	0	289.375	3.178	20	30		CGEDRM
CC(C)(C(=O)[N-]OCc1ccccc1)c1ccc(C#N)cc1	ZINC001587982605	963234401	/nfs/dbraw/zinc/23/44/01/963234401.db2.gz	NULMDRADYKGTHX-UHFFFAOYSA-N	-1	0	294.354	3.084	20	30		CGEDRM
C=C(CC)COc1c(-c2nn[nH]n2)cnc2ccc(C)cc21	ZINC001588444251	963267328	/nfs/dbraw/zinc/26/73/28/963267328.db2.gz	SWNQOIXHALALQE-UHFFFAOYSA-N	-1	0	295.346	3.068	20	30		CGEDRM
C#CCC(C)(C)COC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588389888	963271054	/nfs/dbraw/zinc/27/10/54/963271054.db2.gz	DXHIPQPVFFAVBP-UHFFFAOYSA-N	-1	0	292.375	3.004	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588458946	963275166	/nfs/dbraw/zinc/27/51/66/963275166.db2.gz	XVPBPRHZHHECHQ-GFCCVEGCSA-N	-1	0	288.347	3.347	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1	ZINC001588516705	963277158	/nfs/dbraw/zinc/27/71/58/963277158.db2.gz	WYOZZVMZRHROPS-UHFFFAOYSA-N	-1	0	299.351	3.297	20	30		CGEDRM
C=CC[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1	ZINC001588452673	963278653	/nfs/dbraw/zinc/27/86/53/963278653.db2.gz	QKJRDZDYWPPTSI-HNNXBMFYSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C#Cc1ccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])cc1	ZINC001588517884	963278845	/nfs/dbraw/zinc/27/88/45/963278845.db2.gz	INLCATUOQARDSC-ZDUSSCGKSA-N	-1	0	295.338	3.132	20	30		CGEDRM
C=C(C)CCC(=O)Oc1ccc(SCC(=O)[O-])cc1	ZINC001588559805	963281194	/nfs/dbraw/zinc/28/11/94/963281194.db2.gz	UDTVUVGZJGOGPU-UHFFFAOYSA-N	-1	0	280.345	3.125	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588535555	963283600	/nfs/dbraw/zinc/28/36/00/963283600.db2.gz	JIWBTASBXUMKLJ-GFCCVEGCSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=C(CNc1ccc(C(=O)[O-])c(C)n1)c1ccccc1	ZINC001588637552	963289247	/nfs/dbraw/zinc/28/92/47/963289247.db2.gz	PSHBBWCGZVMNRE-UHFFFAOYSA-N	-1	0	268.316	3.214	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(C)c(OC)cc1Cl	ZINC001588629557	963292064	/nfs/dbraw/zinc/29/20/64/963292064.db2.gz	MFZKYMRVHHNBJF-UHFFFAOYSA-N	-1	0	297.738	3.017	20	30		CGEDRM
C=C[C@H](C)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588687208	963296208	/nfs/dbraw/zinc/29/62/08/963296208.db2.gz	LOICJYORSLGFBW-JTQLQIEISA-N	-1	0	284.315	3.234	20	30		CGEDRM
C=C[C@H](C(=O)[O-])N1CCCc2cc(C(C)(C)C)ccc21	ZINC001588662688	963297848	/nfs/dbraw/zinc/29/78/48/963297848.db2.gz	FKPUHDFBPKCKJS-CQSZACIVSA-N	-1	0	273.376	3.376	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001588690646	963299882	/nfs/dbraw/zinc/29/98/82/963299882.db2.gz	GLVCUKMXHMJZMG-QMMMGPOBSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C[C@@H](Sc1nnc(-c2ccc(C)cc2C)o1)C(=O)[O-]	ZINC001588715007	963304313	/nfs/dbraw/zinc/30/43/13/963304313.db2.gz	REKRMUGHOHMXFX-LLVKDONJSA-N	-1	0	290.344	3.085	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])CCCCC1	ZINC001588714866	963306249	/nfs/dbraw/zinc/30/62/49/963306249.db2.gz	PLUXHHPSEKAOEB-UONOGXRCSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C[C@H](Sc1nnc(-c2ccc(C)cc2C)o1)C(=O)[O-]	ZINC001588715008	963307433	/nfs/dbraw/zinc/30/74/33/963307433.db2.gz	REKRMUGHOHMXFX-NSHDSACASA-N	-1	0	290.344	3.085	20	30		CGEDRM
C=CC1(CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)CCCCC1	ZINC001588715586	963307530	/nfs/dbraw/zinc/30/75/30/963307530.db2.gz	ZVHCQDKIIBCZHG-ZDUSSCGKSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=CC[C@@H](Sc1nc(-c2ccccc2)co1)C(=O)[O-]	ZINC001588759023	963308590	/nfs/dbraw/zinc/30/85/90/963308590.db2.gz	NUTRGIKTNGLKGR-GFCCVEGCSA-N	-1	0	275.329	3.463	20	30		CGEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])ccn2)CCCCC1	ZINC001588765109	963309424	/nfs/dbraw/zinc/30/94/24/963309424.db2.gz	QUERRMMADCLRPC-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C=CC[C@H](Nc1ccc(COC(C)C)cc1)C(=O)[O-]	ZINC001588752553	963310854	/nfs/dbraw/zinc/31/08/54/963310854.db2.gz	YJLDMVCVPLHLBY-AWEZNQCLSA-N	-1	0	263.337	3.053	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC1	ZINC001588820412	963323042	/nfs/dbraw/zinc/32/30/42/963323042.db2.gz	AUSIFXYFNNYZEM-UHFFFAOYSA-N	-1	0	299.330	3.048	20	30		CGEDRM
CC(=NNCCC(C)(C)C)c1cc(C(=O)[O-])cs1	ZINC001589016569	963342167	/nfs/dbraw/zinc/34/21/67/963342167.db2.gz	AUQXBAIDCRGSII-UHFFFAOYSA-N	-1	0	268.382	3.196	20	30		CGEDRM
CC(=NNc1cc(C)ccc1C)c1cc(C(=O)[O-])co1	ZINC001589016560	963344670	/nfs/dbraw/zinc/34/46/70/963344670.db2.gz	ALZOTHMOTHNJJB-UHFFFAOYSA-N	-1	0	272.304	3.431	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F	ZINC001589016820	963345362	/nfs/dbraw/zinc/34/53/62/963345362.db2.gz	KLRKYYXXVBIRPG-UHFFFAOYSA-N	-1	0	280.633	3.388	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC001588439451	964029130	/nfs/dbraw/zinc/02/91/30/964029130.db2.gz	VUBQMCFIXALGIH-UHFFFAOYSA-N	-1	0	299.713	3.272	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588440626	964042490	/nfs/dbraw/zinc/04/24/90/964042490.db2.gz	FFZUYHRVAZWNSZ-UHFFFAOYSA-N	-1	0	295.285	3.185	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000396620980	972924617	/nfs/dbraw/zinc/92/46/17/972924617.db2.gz	KROKCJVUYYOFFQ-YPMHNXCESA-N	-1	0	290.363	3.351	20	30		CGEDRM
Cc1cc(OCc2ccc(CC#N)cc2)c(C(=O)[O-])s1	ZINC000399130569	973193296	/nfs/dbraw/zinc/19/32/96/973193296.db2.gz	NEKLTHJMKRZHCR-UHFFFAOYSA-N	-1	0	287.340	3.400	20	30		CGEDRM
CC(C)c1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)cc1	ZINC001591968539	976567171	/nfs/dbraw/zinc/56/71/71/976567171.db2.gz	PLDFORREWVPGJT-UHFFFAOYSA-N	-1	0	271.320	3.282	20	30		CGEDRM
C[C@@H](C1CC1)n1nc(C(=O)[O-])cc1-c1ccc(C#N)cc1	ZINC001592182002	977114192	/nfs/dbraw/zinc/11/41/92/977114192.db2.gz	UYBMJVKPICDOPJ-JTQLQIEISA-N	-1	0	281.315	3.091	20	30		CGEDRM
C[C@@H](CC#N)n1nc(C(=O)[O-])cc1-c1ccc(Cl)s1	ZINC001592226493	977419521	/nfs/dbraw/zinc/41/95/21/977419521.db2.gz	ZUARRQNODGTFOJ-ZETCQYMHSA-N	-1	0	295.751	3.438	20	30		CGEDRM
C[C@H](Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1)C(=O)[O-]	ZINC001592877926	979747152	/nfs/dbraw/zinc/74/71/52/979747152.db2.gz	RLMQQWFGZURDCA-INWMFGNUSA-N	-1	0	286.375	3.444	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001595704621	982277272	/nfs/dbraw/zinc/27/72/72/982277272.db2.gz	DHYCKUBCPATOGD-LBPRGKRZSA-N	-1	0	294.395	3.439	20	30		CGEDRM
C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1cccs1	ZINC001599901848	984849593	/nfs/dbraw/zinc/84/95/93/984849593.db2.gz	YNFBKCLTGSCVBZ-JTQLQIEISA-N	-1	0	286.356	3.169	20	30		CGEDRM
CC(C)C[C@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-]	ZINC001591183127	991982540	/nfs/dbraw/zinc/98/25/40/991982540.db2.gz	FINCPIGDJIUWMV-AWEZNQCLSA-N	-1	0	290.363	3.257	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1OCC1CCC(C#N)CC1	ZINC001599379375	996807106	/nfs/dbraw/zinc/80/71/06/996807106.db2.gz	FZXZQSFYEOEGJX-UHFFFAOYSA-N	-1	0	289.331	3.102	20	30		CGEDRM
C[C@H]1[C@H](Nc2ccc(CC#N)cc2)CC[C@H]1CC(=O)[O-]	ZINC001594185748	998719820	/nfs/dbraw/zinc/71/98/20/998719820.db2.gz	RPOKMLGQUCOEFM-OSAQELSMSA-N	-1	0	272.348	3.054	20	30		CGEDRM
C[C@H]1CCC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001594352893	999336805	/nfs/dbraw/zinc/33/68/05/999336805.db2.gz	UGMHPILGZOZPMO-QWRGUYRKSA-N	-1	0	273.336	3.032	20	30		CGEDRM
N#CCCCCCC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000590894627	346884836	/nfs/dbraw/zinc/88/48/36/346884836.db2.gz	AMTQEWNSZLNFOV-UHFFFAOYSA-N	-1	0	268.263	3.083	20	30		CGEDRM
Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1C(=O)[O-]	ZINC000591270366	346913151	/nfs/dbraw/zinc/91/31/51/346913151.db2.gz	BNSLIEFPONUOSD-NEPJUHHUSA-N	-1	0	258.321	3.188	20	30		CGEDRM
N#Cc1ccc(NC2(CC(=O)[O-])CCC2)cc1Cl	ZINC000094291447	345898193	/nfs/dbraw/zinc/89/81/93/345898193.db2.gz	CWXHMHJWAAPBPT-UHFFFAOYSA-N	-1	0	264.712	3.021	20	30		CGEDRM
C[C@@H]1CCC[C@@H](n2[n-]c(-c3cccc(C#N)c3)cc2=O)C1	ZINC000601939355	347926488	/nfs/dbraw/zinc/92/64/88/347926488.db2.gz	NZTNKHKNDFEHOW-IUODEOHRSA-N	-1	0	281.359	3.073	20	30		CGEDRM
Cc1[n-]n(-c2ccc(Cl)c(F)c2)c(=O)c1CCC#N	ZINC000601948765	347928630	/nfs/dbraw/zinc/92/86/30/347928630.db2.gz	LBNMUSJOIWGUDE-JTQLQIEISA-N	-1	0	279.702	3.122	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c3c(c2=O)CCCCCC3)c1	ZINC000601933472	347925772	/nfs/dbraw/zinc/92/57/72/347925772.db2.gz	ZOOCBIJDNMIUSP-CQSZACIVSA-N	-1	0	267.332	3.231	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(F)cc(F)c1	ZINC000339405647	215149535	/nfs/dbraw/zinc/14/95/35/215149535.db2.gz	ATZLTYKTQGHCQA-HNQUOIGGSA-N	-1	0	286.237	3.100	20	30		CGEDRM
CCc1nocc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000626355879	350298097	/nfs/dbraw/zinc/29/80/97/350298097.db2.gz	GWCDPOQHLZONOJ-SECBINFHSA-N	-1	0	289.360	3.307	20	30		CGEDRM
C=CCC[C@H](NC(=O)CC(C1CCC1)C1CCC1)C(=O)[O-]	ZINC000630182622	350816798	/nfs/dbraw/zinc/81/67/98/350816798.db2.gz	OIGUDVLLFRBFRQ-HNNXBMFYSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630246781	350819219	/nfs/dbraw/zinc/81/92/19/350819219.db2.gz	AMZKYTOSMLPBEQ-LRDDRELGSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC[C@H](NC(=O)CCCCC(=O)[O-])c1ccccc1	ZINC000630297118	350822162	/nfs/dbraw/zinc/82/21/62/350822162.db2.gz	LKAYPGJSFDNRBG-HNNXBMFYSA-N	-1	0	289.375	3.455	20	30		CGEDRM
N#Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1Cl	ZINC000010514752	368583507	/nfs/dbraw/zinc/58/35/07/368583507.db2.gz	HOPCGOSXIRWFOC-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C)s1	ZINC000024070328	368828764	/nfs/dbraw/zinc/82/87/64/368828764.db2.gz	GPONHDJDIHIZPD-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)cc2)n1	ZINC000041520281	369189652	/nfs/dbraw/zinc/18/96/52/369189652.db2.gz	AUFSAJZLGPNIOO-LBPRGKRZSA-N	-1	0	256.330	3.250	20	30		CGEDRM
COc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000041545918	369190840	/nfs/dbraw/zinc/19/08/40/369190840.db2.gz	MPDHHCGAWCPIDP-CYBMUJFWSA-N	-1	0	292.294	3.326	20	30		CGEDRM
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C1CC1	ZINC000046929157	369299973	/nfs/dbraw/zinc/29/99/73/369299973.db2.gz	SQYAGJHYADBXTE-UHFFFAOYSA-N	-1	0	295.404	3.348	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C1CCCCC1	ZINC000046927901	369300532	/nfs/dbraw/zinc/30/05/32/369300532.db2.gz	BZDDPSHGFANDAZ-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000132472356	371177710	/nfs/dbraw/zinc/17/77/10/371177710.db2.gz	WBCJLZIKSRGBBY-GFCCVEGCSA-N	-1	0	285.372	3.460	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000439458504	372979172	/nfs/dbraw/zinc/97/91/72/372979172.db2.gz	DRPCGWCXBJNOKV-AWEZNQCLSA-N	-1	0	296.374	3.042	20	30		CGEDRM
Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000442797429	373086174	/nfs/dbraw/zinc/08/61/74/373086174.db2.gz	HXPUMYXSWFNBMW-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
CC(C)(C)CCCCNC(=O)c1ccc(C#N)c(O)c1	ZINC000442958211	373133895	/nfs/dbraw/zinc/13/38/95/373133895.db2.gz	BCMPATULLUBHNH-UHFFFAOYSA-N	-1	0	274.364	3.210	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1	ZINC000448538527	373582083	/nfs/dbraw/zinc/58/20/83/373582083.db2.gz	PHUQAEHJVLJXDC-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CCCC[C@@H](CC)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000464100872	374862729	/nfs/dbraw/zinc/86/27/29/374862729.db2.gz	KFAKGALSCWQPJO-GFCCVEGCSA-N	-1	0	290.411	3.087	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])s1	ZINC000335858438	375490018	/nfs/dbraw/zinc/49/00/18/375490018.db2.gz	YVLXSLZVSGFAIO-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=CCOc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000193241892	375846617	/nfs/dbraw/zinc/84/66/17/375846617.db2.gz	ITJGYOCUHGYHNN-UHFFFAOYSA-N	-1	0	297.310	3.202	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C(C#N)(CC)CC)c1	ZINC000529412818	375923180	/nfs/dbraw/zinc/92/31/80/375923180.db2.gz	UXCJJMZMQXWGLC-UHFFFAOYSA-N	-1	0	288.347	3.253	20	30		CGEDRM
N#CC1(CSc2n[n-]c(=Nc3ccccc3)s2)CC1	ZINC000540857623	376398535	/nfs/dbraw/zinc/39/85/35/376398535.db2.gz	DKMRIUGYKOWQIH-UHFFFAOYSA-N	-1	0	288.401	3.099	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3scnc3c2)cc1[O-]	ZINC000188412413	249057566	/nfs/dbraw/zinc/05/75/66/249057566.db2.gz	IYVDYICRTJMPDJ-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
C=C[C@H](CC(=O)NC(CC)(CC)C(=O)[O-])c1ccccc1	ZINC000342579105	377671372	/nfs/dbraw/zinc/67/13/72/377671372.db2.gz	XBXAGBJOAKUNRI-CYBMUJFWSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1cccc(Cl)c1[O-])OCC	ZINC000270452130	378353752	/nfs/dbraw/zinc/35/37/52/378353752.db2.gz	PLDNKEOGDRSPKA-LBPRGKRZSA-N	-1	0	283.755	3.355	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000345888587	378400798	/nfs/dbraw/zinc/40/07/98/378400798.db2.gz	QXBYACJHUHUDIP-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000398085126	379927565	/nfs/dbraw/zinc/92/75/65/379927565.db2.gz	LYHFQHFTGBWXLT-ZDUSSCGKSA-N	-1	0	296.411	3.208	20	30		CGEDRM
N#C[C@@H](C(=O)c1cc(Cl)cc2c1OCC2)c1ccccn1	ZINC000361282259	381675960	/nfs/dbraw/zinc/67/59/60/381675960.db2.gz	TVEPPDSYGQDJDQ-CYBMUJFWSA-N	-1	0	298.729	3.160	20	30		CGEDRM
Cc1cc(CN=c2[n-]nc(-c3cccs3)o2)ccc1C#N	ZINC000446968207	533639059	/nfs/dbraw/zinc/63/90/59/533639059.db2.gz	WZSFKMWDLXOONT-UHFFFAOYSA-N	-1	0	296.355	3.012	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1Cl	ZINC000547978699	393162135	/nfs/dbraw/zinc/16/21/35/393162135.db2.gz	RARIXMXTPLBJEY-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
Cc1[nH]c(C#N)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000453682801	394265957	/nfs/dbraw/zinc/26/59/57/394265957.db2.gz	AEFUWGGLMQYTES-LBPRGKRZSA-N	-1	0	298.371	3.265	20	30		CGEDRM
C=CC[C@H]1N(C(=O)C[C@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000668321437	543007018	/nfs/dbraw/zinc/00/70/18/543007018.db2.gz	STELBUYJSXEBDH-QWHCGFSZSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000659165987	418963258	/nfs/dbraw/zinc/96/32/58/418963258.db2.gz	DZFOWHSEVADAGF-QPSCCSFWSA-N	-1	0	293.407	3.129	20	30		CGEDRM
N#C[C@@H]1CC[C@H](N=c2nc(C3CCCCC3)[n-]s2)C1	ZINC000333484310	228201949	/nfs/dbraw/zinc/20/19/49/228201949.db2.gz	PXHNLLBMNNBUAN-PWSUYJOCSA-N	-1	0	276.409	3.112	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1cccc(Br)c1[O-]	ZINC000521391467	260093992	/nfs/dbraw/zinc/09/39/92/260093992.db2.gz	ZBTWPRDGUPWUCA-SECBINFHSA-N	-1	0	298.180	3.239	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1	ZINC000076765991	260166655	/nfs/dbraw/zinc/16/66/55/260166655.db2.gz	VCYUHUHGAPYZGO-OCCSQVGLSA-N	-1	0	295.404	3.299	20	30		CGEDRM
N#CC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCCC1	ZINC000160733800	261225413	/nfs/dbraw/zinc/22/54/13/261225413.db2.gz	AEZVGVFEHKBIQQ-UHFFFAOYSA-N	-1	0	287.344	3.139	20	30		CGEDRM
C=CCC1(NC(=O)NCCCCCC(=O)[O-])CCCCC1	ZINC000414628721	263016949	/nfs/dbraw/zinc/01/69/49/263016949.db2.gz	PIZJYXWZKNHPKJ-UHFFFAOYSA-N	-1	0	296.411	3.210	20	30		CGEDRM
N#CC1CCC(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000281778636	263072011	/nfs/dbraw/zinc/07/20/11/263072011.db2.gz	MWVOAKKHLHXFKU-LICLKQGHSA-N	-1	0	287.319	3.049	20	30		CGEDRM
CC(=O)c1ccc([O-])c(NC(=O)[C@@]2(C#N)CC23CCCC3)c1	ZINC000295099456	263172335	/nfs/dbraw/zinc/17/23/35/263172335.db2.gz	TWXZMFHSCXPVNK-KRWDZBQOSA-N	-1	0	298.342	3.007	20	30		CGEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)C(F)(F)c1ccccc1	ZINC000274292060	328210668	/nfs/dbraw/zinc/21/06/68/328210668.db2.gz	CUHWGTHCIJLMPZ-CQSZACIVSA-N	-1	0	280.318	3.223	20	30		CGEDRM
C[C@H](CCC#N)Sc1n[n-]c(=Nc2ccccc2)s1	ZINC000340648065	328298187	/nfs/dbraw/zinc/29/81/87/328298187.db2.gz	GAJURNMTBRLVAZ-SNVBAGLBSA-N	-1	0	290.417	3.488	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190966465	329403834	/nfs/dbraw/zinc/40/38/34/329403834.db2.gz	IWASBELZAPJLBO-NSHDSACASA-N	-1	0	277.283	3.021	20	30		CGEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)s1	ZINC000194681309	329687819	/nfs/dbraw/zinc/68/78/19/329687819.db2.gz	OFHSDHUNMKFWSM-SECBINFHSA-N	-1	0	283.312	3.083	20	30		CGEDRM
CC(C)(CC#N)CN=c1nc(C2CCCCC2)[n-]s1	ZINC000420625981	329779853	/nfs/dbraw/zinc/77/98/53/329779853.db2.gz	ITVJZSKKKVIALJ-UHFFFAOYSA-N	-1	0	278.425	3.359	20	30		CGEDRM
C=CCN(Cc1ccc(Cl)s1)[C@H](CC)C(=O)[O-]	ZINC000263196731	330048534	/nfs/dbraw/zinc/04/85/34/330048534.db2.gz	WPOXMLBTHLGKPB-SNVBAGLBSA-N	-1	0	273.785	3.253	20	30		CGEDRM
CC#CCN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000436783161	330685110	/nfs/dbraw/zinc/68/51/10/330685110.db2.gz	KVGUZMHUONVBJP-UHFFFAOYSA-N	-1	0	287.746	3.294	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)s1	ZINC000178716783	333077000	/nfs/dbraw/zinc/07/70/00/333077000.db2.gz	LCKSNDMZLTXOQY-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C3CC3)oc2C)n1	ZINC000552040765	334280131	/nfs/dbraw/zinc/28/01/31/334280131.db2.gz	WNMBRJAZIXQLBH-JTQLQIEISA-N	-1	0	287.344	3.115	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)onc2C2CC2)n1	ZINC000581233535	336028885	/nfs/dbraw/zinc/02/88/85/336028885.db2.gz	XSUGRTAKLGVQNS-JTQLQIEISA-N	-1	0	287.344	3.115	20	30		CGEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1[C@H]2CCCO[C@H]21	ZINC000330000454	534328690	/nfs/dbraw/zinc/32/86/90/534328690.db2.gz	WKXYSOCLFXOLID-NYRNMGCKSA-N	-1	0	285.702	3.198	20	30		CGEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1C[C@]12CCOC2	ZINC000329998655	534329156	/nfs/dbraw/zinc/32/91/56/534329156.db2.gz	SSIGLVUABNNTJP-OQPBUACISA-N	-1	0	285.702	3.199	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000262261158	534563328	/nfs/dbraw/zinc/56/33/28/534563328.db2.gz	WRHHWFQVMYLYRD-UHFFFAOYSA-N	-1	0	299.370	3.038	20	30		CGEDRM
C=CCOc1ccc(CN=c2[n-]nc(CCCC)o2)cc1	ZINC000347885366	526875320	/nfs/dbraw/zinc/87/53/20/526875320.db2.gz	QYDMQPQNWNOAEC-UHFFFAOYSA-N	-1	0	287.363	3.011	20	30		CGEDRM
Cc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F	ZINC000738452530	571757429	/nfs/dbraw/zinc/75/74/29/571757429.db2.gz	QDPGNYBGRAVCDP-OAHLLOKOSA-N	-1	0	284.290	3.244	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)c(C)c1	ZINC000728225280	571796158	/nfs/dbraw/zinc/79/61/58/571796158.db2.gz	GOXUDQPHEVESAV-UHFFFAOYSA-N	-1	0	284.315	3.235	20	30		CGEDRM
O=C([O-])c1cccc(NN=C2CCCOc3ccccc32)c1	ZINC000728427082	571804961	/nfs/dbraw/zinc/80/49/61/571804961.db2.gz	HUBPCYPCATXMPB-UHFFFAOYSA-N	-1	0	296.326	3.374	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCOc3ccccc3C2=O)cc1	ZINC000728442024	571806024	/nfs/dbraw/zinc/80/60/24/571806024.db2.gz	TYXZCNHCHGGIKY-KAMYIIQDSA-N	-1	0	294.306	3.434	20	30		CGEDRM
CCc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000737266093	572336129	/nfs/dbraw/zinc/33/61/29/572336129.db2.gz	HYUJTHFOQSIAFQ-INIZCTEOSA-N	-1	0	280.327	3.358	20	30		CGEDRM
CCOc1cccc(C=Nc2cccc(CC(=O)[O-])c2)c1O	ZINC000737886787	572362589	/nfs/dbraw/zinc/36/25/89/572362589.db2.gz	PINNGQUJSGRXMO-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
Cc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C	ZINC000738627147	572383440	/nfs/dbraw/zinc/38/34/40/572383440.db2.gz	GLHPKGGBPCRNGM-MRXNPFEDSA-N	-1	0	280.327	3.413	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1COc1ccc(C#N)cc1C	ZINC000738313499	572605083	/nfs/dbraw/zinc/60/50/83/572605083.db2.gz	KQDGOYFFEDDVPL-UHFFFAOYSA-N	-1	0	271.272	3.045	20	30		CGEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cncs1	ZINC000734744419	572682609	/nfs/dbraw/zinc/68/26/09/572682609.db2.gz	PUKXOLRDXVCSDW-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
C[C@H](C#N)Oc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)cc1	ZINC000736201511	572772306	/nfs/dbraw/zinc/77/23/06/572772306.db2.gz	HNMXUDAXEGKJAC-RDNKVPPGSA-N	-1	0	294.310	3.241	20	30		CGEDRM
Cc1nnc(N=NC2CCC[C@@H](C(C)(C)C)CC2)[n-]c1=O	ZINC000746557212	572879539	/nfs/dbraw/zinc/87/95/39/572879539.db2.gz	VFTJSBCAUJFRLW-LLVKDONJSA-N	-1	0	291.399	3.280	20	30		CGEDRM
CCC[C@@H](C)C(CC)N=Nc1nc(C)cc(=O)[n-]1	ZINC000748245584	572970387	/nfs/dbraw/zinc/97/03/87/572970387.db2.gz	BBQFRBQMJYOZSJ-SECBINFHSA-N	-1	0	250.346	3.105	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Cc3ccc(F)cc3C2=O)cc1	ZINC000749006214	572988182	/nfs/dbraw/zinc/98/81/82/572988182.db2.gz	SIWNSUKLCVHMBT-NTUHNPAUSA-N	-1	0	282.270	3.346	20	30		CGEDRM
C=CCCCN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000136000502	600259464	/nfs/dbraw/zinc/25/94/64/600259464.db2.gz	WYNPWCHGKJLDOK-VQHVLOKHSA-N	-1	0	290.319	3.095	20	30		CGEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827851161	601132906	/nfs/dbraw/zinc/13/29/06/601132906.db2.gz	AVHKXTSIZMSXTJ-NSHDSACASA-N	-1	0	295.294	3.174	20	30		CGEDRM
N#Cc1nc(NCCCCCCC(=O)[O-])ccc1Cl	ZINC000833078405	601248899	/nfs/dbraw/zinc/24/88/99/601248899.db2.gz	JCSJXQYJCAYJMO-UHFFFAOYSA-N	-1	0	281.743	3.054	20	30		CGEDRM
CCc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000830265966	601297590	/nfs/dbraw/zinc/29/75/90/601297590.db2.gz	WYQOALZORYIZMN-MRXNPFEDSA-N	-1	0	280.327	3.358	20	30		CGEDRM
N#Cc1cccc(SCc2occc2C(=O)[O-])c1	ZINC000833074911	601319062	/nfs/dbraw/zinc/31/90/62/601319062.db2.gz	GDNLLKLBWUXKON-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
CCCCC[C@@H](/N=C/c1cc(OCC)ccc1O)C(=O)[O-]	ZINC000829311690	601365249	/nfs/dbraw/zinc/36/52/49/601365249.db2.gz	IOWWZLGUARAITB-SWEABUAFSA-N	-1	0	293.363	3.243	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000776665771	601738821	/nfs/dbraw/zinc/73/88/21/601738821.db2.gz	HFGBZAWYMVVEAD-OAHLLOKOSA-N	-1	0	295.354	3.428	20	30		CGEDRM
Cc1ccc(C)c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832925674	601792298	/nfs/dbraw/zinc/79/22/98/601792298.db2.gz	ZXNOQCLJTBEKTF-WAYWQWQTSA-N	-1	0	269.300	3.226	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\CCc3cc(F)ccc3C2=O)c[nH]1	ZINC000833298511	601794403	/nfs/dbraw/zinc/79/44/03/601794403.db2.gz	XSLQWPOTKHFTIM-VZUCSPMQSA-N	-1	0	285.274	3.065	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC000825665328	602283653	/nfs/dbraw/zinc/28/36/53/602283653.db2.gz	YSUOFIXDPBPTFB-JTQLQIEISA-N	-1	0	278.304	3.350	20	30		CGEDRM
CC(N=Nc1ccncc1Cl)[C@@H](C)CCCCC(=O)[O-]	ZINC000814868953	604640900	/nfs/dbraw/zinc/64/09/00/604640900.db2.gz	OGHUYKGGDLXZLS-JTQLQIEISA-N	-1	0	297.786	3.226	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1COc1ccc(C#N)cc1F	ZINC000232362642	604648610	/nfs/dbraw/zinc/64/86/10/604648610.db2.gz	TYDPWBVCIQKNAV-UHFFFAOYSA-N	-1	0	291.303	3.345	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)c2ccccc21	ZINC000763369695	604668361	/nfs/dbraw/zinc/66/83/61/604668361.db2.gz	WECPDLAIXASWOE-NSHDSACASA-N	-1	0	295.342	3.493	20	30		CGEDRM
C[C@@H](CC(=O)[O-])SCC#Cc1cccc(Cl)c1	ZINC000827386578	604788434	/nfs/dbraw/zinc/78/84/34/604788434.db2.gz	VETSUFCCYRQGBF-JTQLQIEISA-N	-1	0	268.765	3.288	20	30		CGEDRM
C[C@@H](Oc1ccc(CNc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000833541153	604788798	/nfs/dbraw/zinc/78/87/98/604788798.db2.gz	ZPJVPLKDZPPYPD-GFCCVEGCSA-N	-1	0	296.326	3.022	20	30		CGEDRM
Cc1ccc(OCCCC(C)(C)C#N)c(C(=O)[O-])c1	ZINC000087596462	604810132	/nfs/dbraw/zinc/81/01/32/604810132.db2.gz	RSASJIDMYIYNAB-UHFFFAOYSA-N	-1	0	261.321	3.402	20	30		CGEDRM
C[C@H]1C/C(=C\c2ccc(C(=O)[O-])[nH]2)C(=O)c2ccccc21	ZINC000833588174	605052353	/nfs/dbraw/zinc/05/23/53/605052353.db2.gz	ONOIEPWXQOKVJS-SPQRFVMMSA-N	-1	0	281.311	3.486	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C)o1	ZINC000812442167	605098381	/nfs/dbraw/zinc/09/83/81/605098381.db2.gz	SGNRSVOFJFOWED-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1scc(C(=O)[O-])c1C)OCC	ZINC000833368759	605156323	/nfs/dbraw/zinc/15/63/23/605156323.db2.gz	SZKZCPMIWDTGKR-LLVKDONJSA-N	-1	0	297.376	3.065	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1scc(C(=O)[O-])c1C)OCC	ZINC000833368760	605156357	/nfs/dbraw/zinc/15/63/57/605156357.db2.gz	SZKZCPMIWDTGKR-NSHDSACASA-N	-1	0	297.376	3.065	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833374405	605274082	/nfs/dbraw/zinc/27/40/82/605274082.db2.gz	ZNQGGOSIWJQOIX-NSHDSACASA-N	-1	0	276.336	3.251	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833375273	605280315	/nfs/dbraw/zinc/28/03/15/605280315.db2.gz	NGQRGYFESVQQMK-UHFFFAOYSA-N	-1	0	293.298	3.122	20	30		CGEDRM
C#CC[C@H](OC(=O)c1ccc(NC(=O)[O-])c(C)c1)C1CC1	ZINC000823441277	605422405	/nfs/dbraw/zinc/42/24/05/605422405.db2.gz	ZXGDBKSCXRATJB-AWEZNQCLSA-N	-1	0	287.315	3.044	20	30		CGEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ncccc1Cl	ZINC000824767936	605463558	/nfs/dbraw/zinc/46/35/58/605463558.db2.gz	LCJBNGUMYIUFNG-SNVBAGLBSA-N	-1	0	296.758	3.055	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc(O)c1O	ZINC000899380225	620688023	/nfs/dbraw/zinc/68/80/23/620688023.db2.gz	FQPWNOOVJIDSQL-AATRIKPKSA-N	-1	0	298.342	3.224	20	30		CGEDRM
C[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)[C@@H]1C	ZINC000781128343	605783280	/nfs/dbraw/zinc/78/32/80/605783280.db2.gz	QOKUOIVTEOPTJO-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000899538513	620708401	/nfs/dbraw/zinc/70/84/01/620708401.db2.gz	ROWPHJJNXVZWPX-SNVBAGLBSA-N	-1	0	286.331	3.407	20	30		CGEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042249311	620714417	/nfs/dbraw/zinc/71/44/17/620714417.db2.gz	XFWXABNROIDNGN-UHFFFAOYSA-N	-1	0	299.367	3.441	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cn1	ZINC000254954753	617689921	/nfs/dbraw/zinc/68/99/21/617689921.db2.gz	ZISGHKXTJFSWSS-ARJAWSKDSA-N	-1	0	292.285	3.344	20	30		CGEDRM
C#C[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000890655205	617735049	/nfs/dbraw/zinc/73/50/49/617735049.db2.gz	MYLKTFZJHCQSKU-JTQLQIEISA-N	-1	0	297.276	3.039	20	30		CGEDRM
Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000022727820	617812635	/nfs/dbraw/zinc/81/26/35/617812635.db2.gz	WUJGTNLHKDNRNN-MHWRWJLKSA-N	-1	0	270.288	3.228	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1c([O-])cc(F)cc1F	ZINC000890812516	617869035	/nfs/dbraw/zinc/86/90/35/617869035.db2.gz	YHFNVFWWFDADOB-UHFFFAOYSA-N	-1	0	269.291	3.099	20	30		CGEDRM
CC(=O)Nc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1	ZINC000255079993	617917195	/nfs/dbraw/zinc/91/71/95/617917195.db2.gz	PCFUBOWESMGNAZ-YWEYNIOJSA-N	-1	0	299.301	3.386	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C)C1CC1	ZINC000048477141	617950465	/nfs/dbraw/zinc/95/04/65/617950465.db2.gz	MNHRXULHIAZGPO-LUAWRHEFSA-N	-1	0	293.388	3.305	20	30		CGEDRM
O=C(/C=C\c1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255217024	618093203	/nfs/dbraw/zinc/09/32/03/618093203.db2.gz	INCWINNILRBZJV-CLTKARDFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](C/C=C\C)C(=O)[O-])c1	ZINC000900355995	620782488	/nfs/dbraw/zinc/78/24/88/620782488.db2.gz	YEFWBLXEBSKXNO-WSNITJDQSA-N	-1	0	288.347	3.261	20	30		CGEDRM
CCCCCCCCCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000891602566	618241028	/nfs/dbraw/zinc/24/10/28/618241028.db2.gz	ODESBJABKNZQMU-UHFFFAOYSA-N	-1	0	292.379	3.260	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccccc2F)c1	ZINC000022728203	618357361	/nfs/dbraw/zinc/35/73/61/618357361.db2.gz	HACFCEQYBWEYPG-CXUHLZMHSA-N	-1	0	274.251	3.059	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(F)cc2)c1	ZINC000022727353	618357473	/nfs/dbraw/zinc/35/74/73/618357473.db2.gz	XGRPINRTTGHTKH-CXUHLZMHSA-N	-1	0	274.251	3.059	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022727464	618357498	/nfs/dbraw/zinc/35/74/98/618357498.db2.gz	ASRHRLVIZPDIAF-OGSQCODOSA-N	-1	0	262.309	3.298	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3ccccc3n2)c1	ZINC000176817503	618739719	/nfs/dbraw/zinc/73/97/19/618739719.db2.gz	OKXCNOFCKUNPSZ-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3ccccc3o2)c1	ZINC000176822040	618740247	/nfs/dbraw/zinc/74/02/47/618740247.db2.gz	ICPKHCTZXQKLMD-UHFFFAOYSA-N	-1	0	278.267	3.262	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)CCCOc2ccccc2)c1	ZINC000176819686	618740512	/nfs/dbraw/zinc/74/05/12/618740512.db2.gz	NOKQEGLYAMSWTC-UHFFFAOYSA-N	-1	0	296.326	3.062	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(Cl)sc2C)n1	ZINC000892418910	618767635	/nfs/dbraw/zinc/76/76/35/618767635.db2.gz	WRWIEXCAJHZYPA-ZETCQYMHSA-N	-1	0	297.792	3.360	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccnc3ccccc32)c1	ZINC000179737796	618799897	/nfs/dbraw/zinc/79/98/97/618799897.db2.gz	QBUVZGWMOYVDHH-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC)cc1	ZINC000048518790	619503486	/nfs/dbraw/zinc/50/34/86/619503486.db2.gz	WQRJZPXXOLPFSX-NSHDSACASA-N	-1	0	283.393	3.330	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519756	619503869	/nfs/dbraw/zinc/50/38/69/619503869.db2.gz	KKLSTDKQRQIPDR-UHFFFAOYSA-N	-1	0	293.388	3.177	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519791	619503925	/nfs/dbraw/zinc/50/39/25/619503925.db2.gz	WQFBOWTZGODCLJ-UHFFFAOYSA-N	-1	0	291.319	3.046	20	30		CGEDRM
CC(C)(CC#N)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840710877	620126084	/nfs/dbraw/zinc/12/60/84/620126084.db2.gz	MMIMEHLPBGXBMD-APSNUPSMSA-N	-1	0	295.726	3.313	20	30		CGEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]Oc1ccc(F)cc1	ZINC000898574566	620597085	/nfs/dbraw/zinc/59/70/85/620597085.db2.gz	LSCLIKGTDJQGCO-AWEZNQCLSA-N	-1	0	296.342	3.207	20	30		CGEDRM
O=C([O-])c1cc(C=NOC2CCC2)sc1Cl	ZINC000901246944	620846103	/nfs/dbraw/zinc/84/61/03/620846103.db2.gz	VJKONGILGFQBHN-UHFFFAOYSA-N	-1	0	259.714	3.003	20	30		CGEDRM
CCCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000901499307	620902601	/nfs/dbraw/zinc/90/26/01/620902601.db2.gz	QUZNAYPWYSIPQU-ZRDIBKRKSA-N	-1	0	293.370	3.463	20	30		CGEDRM
C=C(C)C[C@@H](N[C@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901682431	620984240	/nfs/dbraw/zinc/98/42/40/620984240.db2.gz	UNLZZZLVYUIWRO-ZIAGYGMSSA-N	-1	0	297.345	3.262	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C	ZINC000907611238	622302469	/nfs/dbraw/zinc/30/24/69/622302469.db2.gz	UAXATUNLBHINBC-ZFWWWQNUSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000907604591	622304267	/nfs/dbraw/zinc/30/42/67/622304267.db2.gz	QBNWYWLPPIZONJ-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000907635962	622304872	/nfs/dbraw/zinc/30/48/72/622304872.db2.gz	VSQRBGRHETVEEW-OLZOCXBDSA-N	-1	0	289.375	3.491	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1ccccc1C1CCC1)C(=O)[O-]	ZINC000907662861	622305934	/nfs/dbraw/zinc/30/59/34/622305934.db2.gz	YBGFZBWZQPCYRQ-HNNXBMFYSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000908938065	622377975	/nfs/dbraw/zinc/37/79/75/622377975.db2.gz	YEDCXIDLGDXOLG-AWEZNQCLSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCCCCNC(=O)c1ccccc1CCC(=O)[O-]	ZINC000909916174	622434881	/nfs/dbraw/zinc/43/48/81/622434881.db2.gz	FBHJJYLQKKLAAG-UHFFFAOYSA-N	-1	0	289.375	3.180	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-]	ZINC000910196594	622465118	/nfs/dbraw/zinc/46/51/18/622465118.db2.gz	CLSJSHLRZUWOBD-UHFFFAOYSA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=C1CCC(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC1	ZINC000910502694	622491492	/nfs/dbraw/zinc/49/14/92/622491492.db2.gz	QHPGAMPSASFJNS-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910702728	622498325	/nfs/dbraw/zinc/49/83/25/622498325.db2.gz	ICACWCKDUPCLLD-UHFFFAOYSA-N	-1	0	282.365	3.115	20	30		CGEDRM
O=C(/C=C/c1csnn1)c1ccc2ccccc2c1[O-]	ZINC000156608527	622827074	/nfs/dbraw/zinc/82/70/74/622827074.db2.gz	WZRGLZGLPGEUNJ-SOFGYWHQSA-N	-1	0	282.324	3.293	20	30		CGEDRM
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-]	ZINC000156712036	622841381	/nfs/dbraw/zinc/84/13/81/622841381.db2.gz	NNRURAAIDYENNE-VMPITWQZSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCCCCCCCC(=O)NC1(C(=O)[O-])CCCC1	ZINC000059213261	622997812	/nfs/dbraw/zinc/99/78/12/622997812.db2.gz	BYMFLYQYKDFTPX-UHFFFAOYSA-N	-1	0	269.385	3.251	20	30		CGEDRM
CC[C@H](CNc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000087509466	623085878	/nfs/dbraw/zinc/08/58/78/623085878.db2.gz	SACDVPXKLLPADL-MRVPVSSYSA-N	-1	0	286.253	3.100	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)ccc2F)cc1	ZINC000915934070	624080706	/nfs/dbraw/zinc/08/07/06/624080706.db2.gz	UZKUPQTXFZCMSK-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccccc2Cl)c1	ZINC000916255280	624125489	/nfs/dbraw/zinc/12/54/89/624125489.db2.gz	OGMQZNIVBWEIDI-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000232926708	624453228	/nfs/dbraw/zinc/45/32/28/624453228.db2.gz	AYVVPWFXALXDCA-INIZCTEOSA-N	-1	0	283.412	3.306	20	30		CGEDRM
Cc1cccc(C)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179737815	624681325	/nfs/dbraw/zinc/68/13/25/624681325.db2.gz	QMOCLSPEAYNGSY-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C	ZINC000070030954	624940871	/nfs/dbraw/zinc/94/08/71/624940871.db2.gz	KMRHYLUPSXDVIV-LLVKDONJSA-N	-1	0	263.403	3.145	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000923057959	626127129	/nfs/dbraw/zinc/12/71/29/626127129.db2.gz	HKEYOCJUTDAPTK-UHFFFAOYSA-N	-1	0	294.738	3.307	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923094574	626130422	/nfs/dbraw/zinc/13/04/22/626130422.db2.gz	NPXDQQDIZHEWAV-UHFFFAOYSA-N	-1	0	279.361	3.462	20	30		CGEDRM
C=C1CCC(C(=O)NC2(CCC(=O)[O-])CCCCC2)CC1	ZINC000923215121	626137066	/nfs/dbraw/zinc/13/70/66/626137066.db2.gz	XORMRTDQGNQZOO-UHFFFAOYSA-N	-1	0	293.407	3.417	20	30		CGEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])cc2)C(C)(C)O1	ZINC000755874465	626655194	/nfs/dbraw/zinc/65/51/94/626655194.db2.gz	PGSXENUFBJYFOX-UHFFFAOYSA-N	-1	0	276.336	3.130	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNc1cc(C)ccn1)CCC2	ZINC000755899780	626657872	/nfs/dbraw/zinc/65/78/72/626657872.db2.gz	FUQAXQVYFZKEKQ-UHFFFAOYSA-N	-1	0	299.330	3.142	20	30		CGEDRM
C[C@H](CCCC(F)(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000756796222	626733227	/nfs/dbraw/zinc/73/32/27/626733227.db2.gz	YWQOKAJDRKNEHP-RXMQYKEDSA-N	-1	0	283.187	3.124	20	30		CGEDRM
O=C(/C=C\c1cccc2c1OCO2)c1cc(F)ccc1[O-]	ZINC000757468294	626780715	/nfs/dbraw/zinc/78/07/15/626780715.db2.gz	PZLJZQWOAUMXKE-XQRVVYSFSA-N	-1	0	286.258	3.156	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c([O-])c1	ZINC000757471683	626781753	/nfs/dbraw/zinc/78/17/53/626781753.db2.gz	JFCDSZVRDJZDRF-IZZDOVSWSA-N	-1	0	297.354	3.363	20	30		CGEDRM
COc1c(O)cccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000757476222	626782024	/nfs/dbraw/zinc/78/20/24/626782024.db2.gz	OPZOGTZPIKFWCG-YVMONPNESA-N	-1	0	288.274	3.142	20	30		CGEDRM
COc1c(O)cccc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000757477084	626782142	/nfs/dbraw/zinc/78/21/42/626782142.db2.gz	ZJLJTZPCRCLNGN-CLFYSBASSA-N	-1	0	284.311	3.311	20	30		CGEDRM
CC(=NNc1cccc(C#N)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758098026	626826789	/nfs/dbraw/zinc/82/67/89/626826789.db2.gz	LKNHFROFTBOCLV-UHFFFAOYSA-N	-1	0	296.286	3.008	20	30		CGEDRM
CC(=NN[C@@H](C)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758116353	626828182	/nfs/dbraw/zinc/82/81/82/626828182.db2.gz	KXQKVBAJTNXEPM-NSHDSACASA-N	-1	0	299.330	3.375	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000759089087	626873554	/nfs/dbraw/zinc/87/35/54/626873554.db2.gz	FVUVDLGEEZQXGA-ALCCZGGFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
CC[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1c(C)noc1C	ZINC000759716653	626917937	/nfs/dbraw/zinc/91/79/37/626917937.db2.gz	BCCBMMQPUAPMJN-GFCCVEGCSA-N	-1	0	299.330	3.001	20	30		CGEDRM
CC(=NOCc1ccccc1)c1cccc(C(=O)[O-])c1	ZINC000764683591	627218089	/nfs/dbraw/zinc/21/80/89/627218089.db2.gz	LWSZGENGGXLIBR-UHFFFAOYSA-N	-1	0	269.300	3.326	20	30		CGEDRM
Cc1ccc(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc23)cc1	ZINC000765544847	627258205	/nfs/dbraw/zinc/25/82/05/627258205.db2.gz	XJTRCFBYXCSPAR-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)o1	ZINC000765824148	627274107	/nfs/dbraw/zinc/27/41/07/627274107.db2.gz	KFUJRLZBZRNDCF-SREVYHEPSA-N	-1	0	256.257	3.182	20	30		CGEDRM
O=C(/C=C/c1cncs1)c1cc(F)cc(F)c1[O-]	ZINC000767731103	627433505	/nfs/dbraw/zinc/43/35/05/627433505.db2.gz	WNWKSOSITDZKOS-OWOJBTEDSA-N	-1	0	267.256	3.023	20	30		CGEDRM
C[C@H](Oc1cccc(/C=C/C(=O)c2ccco2)c1)C(=O)[O-]	ZINC000769769847	627576707	/nfs/dbraw/zinc/57/67/07/627576707.db2.gz	DCKXNVKUDBYXJF-AEZGRPFRSA-N	-1	0	286.283	3.028	20	30		CGEDRM
Cc1ccc2c(c1)C/C(=C/c1cc([O-])ccc1[N+](=O)[O-])C2=O	ZINC000772808704	627825141	/nfs/dbraw/zinc/82/51/41/627825141.db2.gz	WCXYKRWZSFMREX-JYRVWZFOSA-N	-1	0	295.294	3.431	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/COc3c(F)cccc3C2=O)c1	ZINC000774126269	627948046	/nfs/dbraw/zinc/94/80/46/627948046.db2.gz	ICCKZEORPMHGJU-WQLSENKSSA-N	-1	0	298.269	3.183	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Cc3cc(F)ccc3C2=O)c1	ZINC000774140979	627950173	/nfs/dbraw/zinc/95/01/73/627950173.db2.gz	WTFOTOBJMQWOPJ-NTUHNPAUSA-N	-1	0	282.270	3.346	20	30		CGEDRM
O=C([O-])CCOc1ccc(C=NOC2CCCCC2)cc1	ZINC000777457278	628272518	/nfs/dbraw/zinc/27/25/18/628272518.db2.gz	PVTAXDITODVERN-UHFFFAOYSA-N	-1	0	291.347	3.223	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1F	ZINC000781115566	628537866	/nfs/dbraw/zinc/53/78/66/628537866.db2.gz	QEEHFOBRWUMMPJ-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
O=C(/C=C\c1scnc1C1CC1)c1ccc(O)cc1[O-]	ZINC000782343512	628640865	/nfs/dbraw/zinc/64/08/65/628640865.db2.gz	WIEAGXGITCMELC-WAYWQWQTSA-N	-1	0	287.340	3.328	20	30		CGEDRM
CCCNN=C(C)c1cc(Br)cc(F)c1[O-]	ZINC000783826240	628749699	/nfs/dbraw/zinc/74/96/99/628749699.db2.gz	JQQHAMGAEBJEEK-UHFFFAOYSA-N	-1	0	289.148	3.017	20	30		CGEDRM
Cc1cccnc1N=NC1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000789055218	629100050	/nfs/dbraw/zinc/10/00/50/629100050.db2.gz	VCVXTJDQUKWXTL-AWEZNQCLSA-N	-1	0	295.342	3.168	20	30		CGEDRM
CC(C)=CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790101973	629183794	/nfs/dbraw/zinc/18/37/94/629183794.db2.gz	UEJQPXLEBALBII-VGOFMYFVSA-N	-1	0	268.700	3.339	20	30		CGEDRM
CCCCCCCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000862357171	629349071	/nfs/dbraw/zinc/34/90/71/629349071.db2.gz	OUZWYUBUBHZIIM-UHFFFAOYSA-N	-1	0	276.789	3.202	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1	ZINC000862546260	629398592	/nfs/dbraw/zinc/39/85/92/629398592.db2.gz	KIPJRPQFGBRZMK-SNVBAGLBSA-N	-1	0	288.372	3.155	20	30		CGEDRM
CC[C@H](NN=C(C)[C@H]1C[C@@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793054885	629405501	/nfs/dbraw/zinc/40/55/01/629405501.db2.gz	HVNMUEAPQWXRPX-BZPMIXESSA-N	-1	0	294.782	3.272	20	30		CGEDRM
CC[C@@H](NN=Cc1cc(-c2ccccc2)cs1)C(=O)[O-]	ZINC000793057081	629406374	/nfs/dbraw/zinc/40/63/74/629406374.db2.gz	ZZSDTSSMHUKADJ-CQSZACIVSA-N	-1	0	288.372	3.202	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc(SC(C)C)cc1)C(=O)[O-]	ZINC000793071937	629408050	/nfs/dbraw/zinc/40/80/50/629408050.db2.gz	NKTSGDVDZHFMIQ-CQSZACIVSA-N	-1	0	294.420	3.364	20	30		CGEDRM
CCCCCOc1ccc(CNN=C(CC)C(=O)[O-])cc1	ZINC000793077657	629408132	/nfs/dbraw/zinc/40/81/32/629408132.db2.gz	GEHFDUDWVNUWML-OAHLLOKOSA-N	-1	0	292.379	3.042	20	30		CGEDRM
CC[C@H](NN=C1CC=C(c2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000793071822	629408235	/nfs/dbraw/zinc/40/82/35/629408235.db2.gz	HKFBDHPGRDQKCL-HNNXBMFYSA-N	-1	0	290.338	3.202	20	30		CGEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])cc1)C(C)(F)F	ZINC000863062560	629466006	/nfs/dbraw/zinc/46/60/06/629466006.db2.gz	DVZKLTVFMHEJFZ-UHFFFAOYSA-N	-1	0	270.279	3.464	20	30		CGEDRM
Cc1c(N=NC(C)[C@@H]2CCCCO2)cccc1C(=O)[O-]	ZINC000863123887	629479650	/nfs/dbraw/zinc/47/96/50/629479650.db2.gz	MJCDHIICHQHWMY-AWEZNQCLSA-N	-1	0	276.336	3.050	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@H](c2ccccc2)C(C)C)n1	ZINC000794449014	629543824	/nfs/dbraw/zinc/54/38/24/629543824.db2.gz	SHDFKQMLTMEKNL-AWEZNQCLSA-N	-1	0	284.363	3.328	20	30		CGEDRM
CCCCCCCNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000864158609	629787180	/nfs/dbraw/zinc/78/71/80/629787180.db2.gz	CTEJMPAFGGHGGK-CSKARUKUSA-N	-1	0	279.336	3.078	20	30		CGEDRM
CC[C@H]1CC[C@H](C)CC1N=Nc1nc(C)cc(=O)[n-]1	ZINC000797398378	629940937	/nfs/dbraw/zinc/94/09/37/629940937.db2.gz	RTTLXRRCYMAVFY-ONGXEEELSA-N	-1	0	262.357	3.105	20	30		CGEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000800790748	630297196	/nfs/dbraw/zinc/29/71/96/630297196.db2.gz	TZCIZHZFWDKTPS-OMCISZLKSA-N	-1	0	290.241	3.308	20	30		CGEDRM
CC(C)(C/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000800790749	630297450	/nfs/dbraw/zinc/29/74/50/630297450.db2.gz	TZCIZHZFWDKTPS-SOFYXZRVSA-N	-1	0	290.241	3.308	20	30		CGEDRM
Cn1cnc(/C=C\C(=O)c2ccc3ccccc3c2[O-])c1	ZINC000800794751	630298713	/nfs/dbraw/zinc/29/87/13/630298713.db2.gz	PFZSGEFRZIIAFO-CLFYSBASSA-N	-1	0	278.311	3.175	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)no1	ZINC000806556212	630566354	/nfs/dbraw/zinc/56/63/54/630566354.db2.gz	PWICAWGOPQXPQY-PLNGDYQASA-N	-1	0	285.299	3.194	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccc3c2OCO3)c1	ZINC000806558634	630566754	/nfs/dbraw/zinc/56/67/54/630566754.db2.gz	HWNADRZQCYBGHP-FPLPWBNLSA-N	-1	0	296.278	3.010	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000806559291	630566964	/nfs/dbraw/zinc/56/69/64/630566964.db2.gz	YRGLBYKXJSTOPC-FPLPWBNLSA-N	-1	0	277.279	3.153	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1)C2	ZINC000811693931	631111165	/nfs/dbraw/zinc/11/11/65/631111165.db2.gz	MVSHFONCNXTNLB-VIZOYTHASA-N	-1	0	289.290	3.079	20	30		CGEDRM
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1C	ZINC000812446301	631261735	/nfs/dbraw/zinc/26/17/35/631261735.db2.gz	XEKFBZVDTSNZKV-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000812709506	631297271	/nfs/dbraw/zinc/29/72/71/631297271.db2.gz	WVBKTOIFQXLBMN-UHFFFAOYSA-N	-1	0	273.332	3.117	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOCCC2CC2)c1[O-]	ZINC000814245264	631558912	/nfs/dbraw/zinc/55/89/12/631558912.db2.gz	OBWGJYDKMAXVRW-UHFFFAOYSA-N	-1	0	284.699	3.104	20	30		CGEDRM
CC(=NOCCC1CC1)c1ccc(C(=O)[O-])c(F)c1	ZINC000814246765	631561147	/nfs/dbraw/zinc/56/11/47/631561147.db2.gz	DGOMSKRRHZVNGP-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
Cc1cc2c(cc1C)C(=NNc1cccc(C(=O)[O-])c1)CO2	ZINC000814687831	631623755	/nfs/dbraw/zinc/62/37/55/631623755.db2.gz	VLBSBFDPGFMSSP-UHFFFAOYSA-N	-1	0	296.326	3.210	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C)nc1C	ZINC000814769366	631636766	/nfs/dbraw/zinc/63/67/66/631636766.db2.gz	YVJIQIAVQJSDAO-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
CCC(=NOC)c1ccc(OCCCCC(=O)[O-])cc1	ZINC000814795735	631641958	/nfs/dbraw/zinc/64/19/58/631641958.db2.gz	KSNAHUKDCJPAOS-UHFFFAOYSA-N	-1	0	279.336	3.081	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCCCc1ccccc1	ZINC000814837885	631652632	/nfs/dbraw/zinc/65/26/32/631652632.db2.gz	PDOVKPRUTDIDSH-UHFFFAOYSA-N	-1	0	288.391	3.230	20	30		CGEDRM
CC(=NNc1ccc(Cl)nc1)c1csc(C(=O)[O-])c1	ZINC000814859249	631657835	/nfs/dbraw/zinc/65/78/35/631657835.db2.gz	QKWMALVKYLUALH-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOC1CCCC1	ZINC000814893776	631668724	/nfs/dbraw/zinc/66/87/24/631668724.db2.gz	ALTDDICMFRJOOR-UHFFFAOYSA-N	-1	0	273.332	3.384	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccnc(F)c2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814902667	631672464	/nfs/dbraw/zinc/67/24/64/631672464.db2.gz	SJKOPMWTZGITHB-MWLCHTKSSA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@H]1C(N=Nc2ccnc(F)c2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814902669	631672763	/nfs/dbraw/zinc/67/27/63/631672763.db2.gz	SJKOPMWTZGITHB-ONGXEEELSA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@H]1C(=NOCCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814908893	631676887	/nfs/dbraw/zinc/67/68/87/631676887.db2.gz	BZDBOZLHYHHORF-DTWKUNHWSA-N	-1	0	295.301	3.468	20	30		CGEDRM
O=C([N-][C@@H](C1CCCC1)C(F)(F)F)C(F)C(F)(F)F	ZINC000815769793	631822947	/nfs/dbraw/zinc/82/29/47/631822947.db2.gz	RSMDHVMMWQPPRO-BQBZGAKWSA-N	-1	0	295.198	3.124	20	30		CGEDRM
O=C([N-][C@H](C1CCCC1)C(F)(F)F)C(F)C(F)(F)F	ZINC000815769794	631824118	/nfs/dbraw/zinc/82/41/18/631824118.db2.gz	RSMDHVMMWQPPRO-NKWVEPMBSA-N	-1	0	295.198	3.124	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000816661219	632040760	/nfs/dbraw/zinc/04/07/60/632040760.db2.gz	GEOZNLYVQGWEOR-UHFFFAOYSA-N	-1	0	279.645	3.335	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1cnc2ccccc2n1	ZINC000820852305	632687627	/nfs/dbraw/zinc/68/76/27/632687627.db2.gz	IBRBMEAUKWRJAS-NSHDSACASA-N	-1	0	281.290	3.214	20	30		CGEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000823236093	633079178	/nfs/dbraw/zinc/07/91/78/633079178.db2.gz	JZMOQEVLPZRTAO-IONNQARKSA-N	-1	0	299.157	3.121	20	30		CGEDRM
COCC(CC(C)(C)C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000844600509	635940497	/nfs/dbraw/zinc/94/04/97/635940497.db2.gz	LFESZYLORQBARL-UHFFFAOYSA-N	-1	0	296.342	3.374	20	30		CGEDRM
N#C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000830064681	633823557	/nfs/dbraw/zinc/82/35/57/633823557.db2.gz	BNRNUGNWTIOUPC-QMMMGPOBSA-N	-1	0	299.157	3.075	20	30		CGEDRM
CCCCCC[C@@H](C)n1[n-]c(C)c(CCC#N)c1=O	ZINC000871959699	633928327	/nfs/dbraw/zinc/92/83/27/633928327.db2.gz	OVWLLPRJLAZPNW-TZMCWYRMSA-N	-1	0	263.385	3.483	20	30		CGEDRM
CC(C)(CN=Nc1ccccc1C(=O)[O-])[C@@H]1CCCCO1	ZINC000872337811	634110779	/nfs/dbraw/zinc/11/07/79/634110779.db2.gz	HMRALNKBLYDZHF-AWEZNQCLSA-N	-1	0	290.363	3.378	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC[C@H]2CCC(F)(F)C2)cc1	ZINC000872387539	634128616	/nfs/dbraw/zinc/12/86/16/634128616.db2.gz	SFUMBOJVSBMKAY-NSHDSACASA-N	-1	0	282.290	3.147	20	30		CGEDRM
CCCCCCCNC(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000872881694	634217911	/nfs/dbraw/zinc/21/79/11/634217911.db2.gz	QQCXRVIRWAYQKQ-UHFFFAOYSA-N	-1	0	299.317	3.363	20	30		CGEDRM
C#Cc1cccc(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)c1	ZINC000872890425	634219018	/nfs/dbraw/zinc/21/90/18/634219018.db2.gz	VHJCCJNHRUEKHO-KRWDZBQOSA-N	-1	0	287.359	3.134	20	30		CGEDRM
CCC[C@@H](C)C(CC)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006477	634311455	/nfs/dbraw/zinc/31/14/55/634311455.db2.gz	FUMDFVRMZHZTJP-SNVBAGLBSA-N	-1	0	263.341	3.394	20	30		CGEDRM
CC1=C[C@H](C)C[C@@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835006186	634311601	/nfs/dbraw/zinc/31/16/01/634311601.db2.gz	AXKIAHWLGDXSMK-CMPLNLGQSA-N	-1	0	273.336	3.170	20	30		CGEDRM
COC1(CC(C)N=Nc2ccc(C(=O)[O-])c(F)c2)CCC1	ZINC000835008412	634312789	/nfs/dbraw/zinc/31/27/89/634312789.db2.gz	FSWMXCQCGHGRLL-UHFFFAOYSA-N	-1	0	294.326	3.271	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000835010130	634314382	/nfs/dbraw/zinc/31/43/82/634314382.db2.gz	PTAZLLKTYBROSA-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1C[C@@H]1C	ZINC000841640323	635205866	/nfs/dbraw/zinc/20/58/66/635205866.db2.gz	FBCHONNNRBTQPQ-KWQFWETISA-N	-1	0	264.300	3.358	20	30		CGEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000843998377	635805113	/nfs/dbraw/zinc/80/51/13/635805113.db2.gz	BICVMBHJJNFNNH-JTQLQIEISA-N	-1	0	295.741	3.060	20	30		CGEDRM
Cc1c(N=NC2CC(C(F)F)C2)cccc1C(=O)[O-]	ZINC000844622638	635944649	/nfs/dbraw/zinc/94/46/49/635944649.db2.gz	ANPQEUHLCLRDGU-UHFFFAOYSA-N	-1	0	268.263	3.136	20	30		CGEDRM
COCC1CCC(N=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000844624070	635945391	/nfs/dbraw/zinc/94/53/91/635945391.db2.gz	UJLOJLQMQPYSTA-UHFFFAOYSA-N	-1	0	290.363	3.298	20	30		CGEDRM
CCCCCCCCCS(=O)(=O)[N-]c1nncs1	ZINC000844826538	635971988	/nfs/dbraw/zinc/97/19/88/635971988.db2.gz	UXXNLDVCZHYPFL-UHFFFAOYSA-N	-1	0	291.442	3.030	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](c1ccc(F)cc1)C(C)C	ZINC000846536603	636195283	/nfs/dbraw/zinc/19/52/83/636195283.db2.gz	SCBYKNYITHBWLW-AWEZNQCLSA-N	-1	0	265.328	3.189	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1Cl	ZINC000846545537	636198112	/nfs/dbraw/zinc/19/81/12/636198112.db2.gz	HFIYHCURCGBHCI-PWSUYJOCSA-N	-1	0	283.755	3.120	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1ccccc1)[C@H](C)CC	ZINC000846545335	636198383	/nfs/dbraw/zinc/19/83/83/636198383.db2.gz	NNKWKRZIDROTKZ-IPYPFGDCSA-N	-1	0	261.365	3.439	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCC(F)(F)CC2)cc1	ZINC000848414387	636570449	/nfs/dbraw/zinc/57/04/49/636570449.db2.gz	OAEKOAKDJQMOQD-UHFFFAOYSA-N	-1	0	282.290	3.291	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cc3n(n2)CCCC3)c([O-])c1	ZINC000848640190	636626339	/nfs/dbraw/zinc/62/63/39/636626339.db2.gz	ITTZNFQARVWGTL-SOFGYWHQSA-N	-1	0	282.343	3.130	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1/N=C/c1c(O)c(C)ncc1CO	ZINC000849170505	636762423	/nfs/dbraw/zinc/76/24/23/636762423.db2.gz	MODOZMITVZZOBW-PPWBVHDNSA-N	-1	0	288.391	3.142	20	30		CGEDRM
C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054267	636779600	/nfs/dbraw/zinc/77/96/00/636779600.db2.gz	MJXQFAQWGURJKV-NWDGAFQWSA-N	-1	0	287.425	3.432	20	30		CGEDRM
N#CCCSc1ccccc1[N-]C(=S)NCC1CC1	ZINC000849257718	636786581	/nfs/dbraw/zinc/78/65/81/636786581.db2.gz	FVCJKQPVSALQBQ-UHFFFAOYSA-N	-1	0	291.445	3.389	20	30		CGEDRM
CCCCCCCC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000108415306	636786700	/nfs/dbraw/zinc/78/67/00/636786700.db2.gz	MMLIJFKDDDSWCK-HNNXBMFYSA-N	-1	0	291.391	3.332	20	30		CGEDRM
C[C@]1(C/N=C/c2cc(Cl)ccc2O)CCCO1	ZINC000132416955	636806785	/nfs/dbraw/zinc/80/67/85/636806785.db2.gz	GQEIPWQCAPCLSM-MGMWDDNKSA-N	-1	0	253.729	3.034	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c([O-])c1	ZINC000137373558	637456595	/nfs/dbraw/zinc/45/65/95/637456595.db2.gz	QLVJPXFHAISYKS-RMKNXTFCSA-N	-1	0	299.282	3.205	20	30		CGEDRM
C=CCON=C(C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853355117	637823526	/nfs/dbraw/zinc/82/35/26/637823526.db2.gz	HHJHHIQRICZXNY-UHFFFAOYSA-N	-1	0	277.320	3.099	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F	ZINC000853354810	637823566	/nfs/dbraw/zinc/82/35/66/637823566.db2.gz	WWJKCKKDBMBUOW-MXWKQRLJSA-N	-1	0	276.311	3.358	20	30		CGEDRM
Cc1c(N=NC(C)CC(C)(C)C#N)cccc1C(=O)[O-]	ZINC000853370893	637826903	/nfs/dbraw/zinc/82/69/03/637826903.db2.gz	ZVCMQPYEFZLPBY-UHFFFAOYSA-N	-1	0	273.336	3.421	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccnc(Cl)c2)CC[C@@H]1C(=O)[O-]	ZINC000853394864	637834346	/nfs/dbraw/zinc/83/43/46/637834346.db2.gz	BFXKOWWMUHTVDC-KWQFWETISA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCCCCCCC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000111403173	637867988	/nfs/dbraw/zinc/86/79/88/637867988.db2.gz	POHBDABPYOWXFO-UHFFFAOYSA-N	-1	0	291.391	3.404	20	30		CGEDRM
C=CC(C)(C)CNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854815673	638103975	/nfs/dbraw/zinc/10/39/75/638103975.db2.gz	ARNAYGBLZMHGRG-UHFFFAOYSA-N	-1	0	276.361	3.059	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(C(F)(F)F)CCCCC1	ZINC000855028375	638136172	/nfs/dbraw/zinc/13/61/72/638136172.db2.gz	UDUNQUSPGXCNBP-VIFPVBQESA-N	-1	0	265.275	3.122	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1C	ZINC000856028114	638286188	/nfs/dbraw/zinc/28/61/88/638286188.db2.gz	BKMYHNRDJJSRTQ-NSHDSACASA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)c1cccc(Cl)c1	ZINC000856032017	638286808	/nfs/dbraw/zinc/28/68/08/638286808.db2.gz	HCPRPJVBVKFGGO-UHFFFAOYSA-N	-1	0	267.756	3.242	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Sc1ccccc1Cl	ZINC000856030836	638287071	/nfs/dbraw/zinc/28/70/71/638287071.db2.gz	STSNQEIAUJVKPO-JTQLQIEISA-N	-1	0	285.796	3.445	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccc(F)cc2)CCCC1	ZINC000856029890	638287561	/nfs/dbraw/zinc/28/75/61/638287561.db2.gz	HFWBBPASNSORGB-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
CC[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931299553	639131903	/nfs/dbraw/zinc/13/19/03/639131903.db2.gz	SSRARTGFAOCUMV-LBPRGKRZSA-N	-1	0	287.146	3.121	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CCCC2(F)F)c1	ZINC000935108160	639751048	/nfs/dbraw/zinc/75/10/48/639751048.db2.gz	LSXRKKUQDFJJLG-SNVBAGLBSA-N	-1	0	280.274	3.028	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)C1CCCCC1	ZINC000042250448	639913745	/nfs/dbraw/zinc/91/37/45/639913745.db2.gz	NRVKIKDRDAFOCW-UHFFFAOYSA-N	-1	0	285.340	3.051	20	30		CGEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000048408604	640052288	/nfs/dbraw/zinc/05/22/88/640052288.db2.gz	JEOGRJRJQQIJEP-UHFFFAOYSA-N	-1	0	296.175	3.295	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1sccc1C(C)C	ZINC000049004175	640078709	/nfs/dbraw/zinc/07/87/09/640078709.db2.gz	ZLRXPISQAMOIMU-UHFFFAOYSA-N	-1	0	289.422	3.306	20	30		CGEDRM
S=c1[n-]nc(-c2ccco2)n1N=CC=Cc1ccco1	ZINC000254833304	640915030	/nfs/dbraw/zinc/91/50/30/640915030.db2.gz	GFBXSWZKKQOHQG-UOZKWQDASA-N	-1	0	286.316	3.341	20	30		CGEDRM
C=C[C@@H](Sc1cccc(Br)c1)C(=O)[O-]	ZINC000300955267	963045840	/nfs/dbraw/zinc/04/58/40/963045840.db2.gz	FUKNCVYCWUEKCC-SECBINFHSA-N	-1	0	273.151	3.180	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001250632871	805739436	/nfs/dbraw/zinc/73/94/36/805739436.db2.gz	ONWOXDFJXSGTMC-UHFFFAOYSA-N	-1	0	281.286	3.481	20	30		CGEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2F)ccc1F	ZINC001250636601	805741875	/nfs/dbraw/zinc/74/18/75/805741875.db2.gz	KWLLYDRJFJWONK-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
Cc1cccc2c1nc(-c1cc(C#N)ccc1[O-])n2C	ZINC001251180284	805860119	/nfs/dbraw/zinc/86/01/19/805860119.db2.gz	MRJXOQBWEHRAFV-UHFFFAOYSA-N	-1	0	263.300	3.126	20	30		CGEDRM
C=C[C@](C)(O)CNc1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001252566186	806070228	/nfs/dbraw/zinc/07/02/28/806070228.db2.gz	BHYAWNXNIQURKF-PBHICJAKSA-N	-1	0	291.391	3.250	20	30		CGEDRM
CCCCCCCc1cn(CCCCC(=O)[O-])nn1	ZINC001254081186	806339342	/nfs/dbraw/zinc/33/93/42/806339342.db2.gz	AOESTQLWFLWJDJ-UHFFFAOYSA-N	-1	0	267.373	3.046	20	30		CGEDRM
C#CCCCCCCc1cn([C@H](C(=O)[O-])[C@@H](C)CC)nn1	ZINC001254089218	806340643	/nfs/dbraw/zinc/34/06/43/806340643.db2.gz	QWUIRGKSOGIPBS-ZFWWWQNUSA-N	-1	0	291.395	3.076	20	30		CGEDRM
CC[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000176398267	799095141	/nfs/dbraw/zinc/09/51/41/799095141.db2.gz	LOVDQCPFMIZGFH-GFCCVEGCSA-N	-1	0	260.337	3.275	20	30		CGEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccc(F)c1	ZINC000176402962	799096289	/nfs/dbraw/zinc/09/62/89/799096289.db2.gz	ILGUCCNOXULKCK-SNVBAGLBSA-N	-1	0	284.290	3.145	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1F	ZINC000588495670	799702196	/nfs/dbraw/zinc/70/21/96/799702196.db2.gz	LZTGPUZQPQIEHL-RQOWECAXSA-N	-1	0	278.304	3.498	20	30		CGEDRM
COCc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000588598990	799720129	/nfs/dbraw/zinc/72/01/29/799720129.db2.gz	LZTBWOSUHJMKBW-WAYWQWQTSA-N	-1	0	274.341	3.496	20	30		CGEDRM
CC[C@H](CC1CCCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001163738884	806813031	/nfs/dbraw/zinc/81/30/31/806813031.db2.gz	XJQBTTFAHSJROD-GFCCVEGCSA-N	-1	0	299.378	3.088	20	30		CGEDRM
Cc1cccc2c1C/C(=C/c1ccc(O)c(C(=O)[O-])c1)C2=O	ZINC000809154285	800413746	/nfs/dbraw/zinc/41/37/46/800413746.db2.gz	QUXLNQPEMLHREX-GHXNOFRVSA-N	-1	0	294.306	3.221	20	30		CGEDRM
C=CC[C@H](NC(=O)C[C@@H](CC)c1ccc(C)cc1)C(=O)[O-]	ZINC001116921963	802428748	/nfs/dbraw/zinc/42/87/48/802428748.db2.gz	KYKWDCRSRJGSHD-HIFRSBDPSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C[C@H]1CC(=NNCc2ccccc2Cl)CC[C@H]1C(=O)[O-]	ZINC001117742464	802484408	/nfs/dbraw/zinc/48/44/08/802484408.db2.gz	REHKWQHPQHWSEM-GXFFZTMASA-N	-1	0	294.782	3.306	20	30		CGEDRM
N#CC(=C([O-])C=C(C1CC1)C1CC1)c1ncc(F)cc1F	ZINC001123382199	802938908	/nfs/dbraw/zinc/93/89/08/802938908.db2.gz	PVLMDGHKCQOVDN-CYBMUJFWSA-N	-1	0	288.297	3.282	20	30		CGEDRM
CSc1ncc(C#N)c(-c2c([O-])cccc2Cl)n1	ZINC001244031137	803151109	/nfs/dbraw/zinc/15/11/09/803151109.db2.gz	NGNSLNFGKFRTNM-UHFFFAOYSA-N	-1	0	277.736	3.096	20	30		CGEDRM
N#Cc1cc(F)cc(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC001132451140	803405486	/nfs/dbraw/zinc/40/54/86/803405486.db2.gz	VEVYUALNVKEQGQ-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
COc1cnc(-c2cc(F)c([O-])c(Cl)c2)c(C#N)c1	ZINC001244500238	803405807	/nfs/dbraw/zinc/40/58/07/803405807.db2.gz	JYOBAUIEDHERNX-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
N#CCc1cc(-c2cc(C(=O)[O-])c(Cl)cc2F)ccn1	ZINC001244614884	803465333	/nfs/dbraw/zinc/46/53/33/803465333.db2.gz	ZIAWDWJBDYDPHD-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
Cc1cc(-c2ncccc2CC#N)cc(C)c1C(=O)[O-]	ZINC001244945109	803585865	/nfs/dbraw/zinc/58/58/65/803585865.db2.gz	CBEONNMRRCZAIJ-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccnc2[nH]cc(C#N)c21	ZINC001245300270	803695617	/nfs/dbraw/zinc/69/56/17/803695617.db2.gz	LNKOAQRFODHTLJ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#Cc1cc2c(cccc2-c2cc(CC(=O)[O-])ccc2F)[nH]1	ZINC001245318617	803699825	/nfs/dbraw/zinc/69/98/25/803699825.db2.gz	PGTMURNTLSZGED-UHFFFAOYSA-N	-1	0	294.285	3.473	20	30		CGEDRM
O=C([O-])Cc1ccc(F)c(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001245319037	803699962	/nfs/dbraw/zinc/69/99/62/803699962.db2.gz	HXMTWPOOPQQEJV-MNDPQUGUSA-N	-1	0	299.301	3.244	20	30		CGEDRM
COc1cc(-c2cc([O-])c(F)c(F)c2F)cc(F)c1C#N	ZINC001245640494	803877308	/nfs/dbraw/zinc/87/73/08/803877308.db2.gz	WFASNXLLBFAPTK-UHFFFAOYSA-N	-1	0	297.207	3.496	20	30		CGEDRM
COc1cccc(-c2cc(=O)n(-c3ccccc3C#N)[n-]2)c1	ZINC001245919044	804048077	/nfs/dbraw/zinc/04/80/77/804048077.db2.gz	ISULBDRUQBLYMN-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(Cc3ccccc3F)[n-]2)cc1	ZINC001245932145	804060161	/nfs/dbraw/zinc/06/01/61/804060161.db2.gz	CLOXNQIQCRCRBQ-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3cc(Cl)ccn3)[n-]2)cc1	ZINC001245932652	804062597	/nfs/dbraw/zinc/06/25/97/804062597.db2.gz	KAJAHPFBXCTEEP-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(C2CCCCC2)cc1=O	ZINC001245935152	804064222	/nfs/dbraw/zinc/06/42/22/804064222.db2.gz	APPVTOLHCKHNIV-UHFFFAOYSA-N	-1	0	267.332	3.497	20	30		CGEDRM
CCC(C)(C)n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245936994	804067807	/nfs/dbraw/zinc/06/78/07/804067807.db2.gz	HPJMUJGLVYZFSG-UHFFFAOYSA-N	-1	0	255.321	3.272	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2ccsc2)cc1=O	ZINC001245948785	804084371	/nfs/dbraw/zinc/08/43/71/804084371.db2.gz	ICRIBUYQJBGURF-UHFFFAOYSA-N	-1	0	267.313	3.178	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(C)c(Cl)c2)[nH]1	ZINC001245952189	804085139	/nfs/dbraw/zinc/08/51/39/804085139.db2.gz	SUSZDYQNHQYIQS-UHFFFAOYSA-N	-1	0	260.724	3.106	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248557397	804951367	/nfs/dbraw/zinc/95/13/67/804951367.db2.gz	PGQUQRMFDZAMQZ-UHFFFAOYSA-N	-1	0	287.706	3.236	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)NC1(C#N)CCC1	ZINC001249686743	805211037	/nfs/dbraw/zinc/21/10/37/805211037.db2.gz	XPAWGMAOSAMIED-UHFFFAOYSA-N	-1	0	277.418	3.141	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)Nc1oncc1C#N	ZINC001249689979	805213199	/nfs/dbraw/zinc/21/31/99/805213199.db2.gz	ZFAOKRNPFRJMDP-UHFFFAOYSA-N	-1	0	290.373	3.077	20	30		CGEDRM
Cc1nsc(Nc2cc([O-])c(F)c(F)c2F)c1C#N	ZINC001249958105	805325273	/nfs/dbraw/zinc/32/52/73/805325273.db2.gz	IFAFFZUMDCAHJH-UHFFFAOYSA-N	-1	0	285.250	3.190	20	30		CGEDRM
N#Cc1sccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249960841	805326188	/nfs/dbraw/zinc/32/61/88/805326188.db2.gz	VKZFWSBVRNMJHG-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1cc([O-])c(F)c(F)c1F	ZINC001249961148	805329310	/nfs/dbraw/zinc/32/93/10/805329310.db2.gz	IGNUIWWFORXYPT-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
N#Cc1ccccc1Cc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001250045314	805385984	/nfs/dbraw/zinc/38/59/84/805385984.db2.gz	CIKDXFUPTPINPP-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
CCCCCCCn1[n-]c(=O)c(Cl)c(Cl)c1=O	ZINC001166607378	807063558	/nfs/dbraw/zinc/06/35/58/807063558.db2.gz	GSDYHSFJYGQWKR-UHFFFAOYSA-N	-1	0	279.167	3.226	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3occc32)cc1	ZINC001258131606	807320788	/nfs/dbraw/zinc/32/07/88/807320788.db2.gz	BLYSUUXCEHRPPY-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(CO)c1Cl	ZINC001212761670	815130013	/nfs/dbraw/zinc/13/00/13/815130013.db2.gz	URCHQHQGQFQKFR-UHFFFAOYSA-N	-1	0	280.736	3.215	20	30		CGEDRM
COc1ccc(Nc2ccnc(Cl)c2[O-])c(C#N)c1	ZINC001212781842	815135792	/nfs/dbraw/zinc/13/57/92/815135792.db2.gz	NIEIYXGMBWDHJA-UHFFFAOYSA-N	-1	0	275.695	3.064	20	30		CGEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc3ccoc32)c1	ZINC001259125590	807674833	/nfs/dbraw/zinc/67/48/33/807674833.db2.gz	KMARAFHXASZNKG-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)CC2CCCCC2)s1	ZINC001259613491	807682377	/nfs/dbraw/zinc/68/23/77/807682377.db2.gz	FKWZZGIOWZHPJB-UHFFFAOYSA-N	-1	0	298.433	3.250	20	30		CGEDRM
C=C1CC=C(F)C=C1NS(=O)(=O)c1cc(C)ccc1F	ZINC001259640366	807683383	/nfs/dbraw/zinc/68/33/83/807683383.db2.gz	PSJFUBNVJPNJCY-UHFFFAOYSA-N	-1	0	297.326	3.110	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1cc(C)ccc1C#N	ZINC001260061684	807694750	/nfs/dbraw/zinc/69/47/50/807694750.db2.gz	KSGLNLNLJOSOHQ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC1(C)CC(=O)C=C(Nc2ccccc2C=CC(=O)[O-])C1	ZINC001169953245	807729517	/nfs/dbraw/zinc/72/95/17/807729517.db2.gz	RMUMYSLCOCNIEX-BQYQJAHWSA-N	-1	0	285.343	3.469	20	30		CGEDRM
N#Cc1cc(Nc2ccnc(OCC3CC3)c2)c([O-])cc1F	ZINC001213018606	815201886	/nfs/dbraw/zinc/20/18/86/815201886.db2.gz	SZRFDZFFUNXUSO-UHFFFAOYSA-N	-1	0	299.305	3.330	20	30		CGEDRM
COc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001173827216	808693114	/nfs/dbraw/zinc/69/31/14/808693114.db2.gz	MXYJWDQBPHJWFL-UHFFFAOYSA-N	-1	0	258.252	3.155	20	30		CGEDRM
COc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1F	ZINC001173975076	808799841	/nfs/dbraw/zinc/79/98/41/808799841.db2.gz	VSCBCWRWANBGFG-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cnc1C#N	ZINC001174495643	809043641	/nfs/dbraw/zinc/04/36/41/809043641.db2.gz	SORORQOPXQDXFW-AATRIKPKSA-N	-1	0	279.299	3.103	20	30		CGEDRM
COc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001174499134	809046352	/nfs/dbraw/zinc/04/63/52/809046352.db2.gz	BBLOZANNSVJFGM-CMDGGOBGSA-N	-1	0	294.310	3.408	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cc(C#N)ccc1F	ZINC001174677375	809126919	/nfs/dbraw/zinc/12/69/19/809126919.db2.gz	JMXUIYXZFAPOSS-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2ccsc2C#N)ccc1C(=O)[O-]	ZINC001174683503	809129342	/nfs/dbraw/zinc/12/93/42/809129342.db2.gz	ZSTSXTFHJFOXEU-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1O	ZINC001174984643	809227979	/nfs/dbraw/zinc/22/79/79/809227979.db2.gz	QXNQTTBWLOHWSX-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)ccc([O-])c2F)c(C#N)c1	ZINC001175271112	809334597	/nfs/dbraw/zinc/33/45/97/809334597.db2.gz	SHLLHSVRVWDVDU-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1cccc(C(=O)[O-])c1	ZINC001175330747	809358396	/nfs/dbraw/zinc/35/83/96/809358396.db2.gz	KKGNQJIEIODXFQ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)cc2C)cc(C(=O)[O-])c1	ZINC001213591160	815307626	/nfs/dbraw/zinc/30/76/26/815307626.db2.gz	SVAUTCZOSMFJBH-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(Nc2ccc(OC)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001213592707	815308552	/nfs/dbraw/zinc/30/85/52/815308552.db2.gz	NMTDBUXUACCNLE-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213623438	815312893	/nfs/dbraw/zinc/31/28/93/815312893.db2.gz	MLJSXOFMGVOTJW-UHFFFAOYSA-N	-1	0	281.315	3.023	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1csc(C(=O)[O-])c1	ZINC001176438848	809697295	/nfs/dbraw/zinc/69/72/95/809697295.db2.gz	CADFFUMWKCHJRV-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176590987	809725782	/nfs/dbraw/zinc/72/57/82/809725782.db2.gz	BJDYRCXEGYCOAJ-FPYGCLRLSA-N	-1	0	299.717	3.448	20	30		CGEDRM
N#Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cs1	ZINC001176592238	809725888	/nfs/dbraw/zinc/72/58/88/809725888.db2.gz	BXTUDZOLEYWKCQ-ZZXKWVIFSA-N	-1	0	270.313	3.461	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccnn1Cc1ccccc1	ZINC001176703885	809744299	/nfs/dbraw/zinc/74/42/99/809744299.db2.gz	AWBRRCIQFPSLCC-UHFFFAOYSA-N	-1	0	296.355	3.314	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccc(C(=O)[O-])cc1	ZINC001176708864	809746188	/nfs/dbraw/zinc/74/61/88/809746188.db2.gz	ALQRYYCCXRIBCU-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1cccc2c1CN(Cc1cc(F)cc(F)c1[O-])C2	ZINC001182667005	810120233	/nfs/dbraw/zinc/12/02/33/810120233.db2.gz	RYLHBWKDSCAZEQ-UHFFFAOYSA-N	-1	0	286.281	3.058	20	30		CGEDRM
COc1cccc(NC(=O)Cc2ccc([S-])cc2)c1C#N	ZINC001183188231	810139423	/nfs/dbraw/zinc/13/94/23/810139423.db2.gz	JSXGDGYPYMPGAF-UHFFFAOYSA-N	-1	0	298.367	3.037	20	30		CGEDRM
C[C@H]1C[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)CC(C)(C)C1	ZINC001184246262	810185179	/nfs/dbraw/zinc/18/51/79/810185179.db2.gz	NEGOAOLHMCFNQN-ZFWWWQNUSA-N	-1	0	288.411	3.367	20	30		CGEDRM
CCCCN(O)C(=O)Cc1ccc(CC(C)C)cc1	ZINC001184314628	810190743	/nfs/dbraw/zinc/19/07/43/810190743.db2.gz	CRUIPEABVLZIFO-UHFFFAOYSA-N	-1	0	263.381	3.446	20	30		CGEDRM
CCCCCCN(O)C(=O)c1ncnc2ccsc21	ZINC001184314783	810190868	/nfs/dbraw/zinc/19/08/68/810190868.db2.gz	KFAFCAHNMMKOOB-UHFFFAOYSA-N	-1	0	279.365	3.103	20	30		CGEDRM
COc1ccccc1[C@H](C)C(=O)Nc1ccc(O)c(C#N)c1	ZINC001187685346	810416339	/nfs/dbraw/zinc/41/63/39/810416339.db2.gz	AQFXTNVRMCRFHM-NSHDSACASA-N	-1	0	296.326	3.015	20	30		CGEDRM
N#Cc1c(Cl)cccc1[N-]S(=O)(=O)CC1CCCC1	ZINC001191526598	810723483	/nfs/dbraw/zinc/72/34/83/810723483.db2.gz	GZUPKFJCMQARGL-UHFFFAOYSA-N	-1	0	298.795	3.144	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)nc1C	ZINC001214270759	815392435	/nfs/dbraw/zinc/39/24/35/815392435.db2.gz	NFIFGHCUAIMBRQ-UHFFFAOYSA-N	-1	0	297.314	3.102	20	30		CGEDRM
CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)n2)c(O)c1	ZINC001192313752	810785893	/nfs/dbraw/zinc/78/58/93/810785893.db2.gz	ICLZVJRJIRICKI-UHFFFAOYSA-N	-1	0	295.342	3.209	20	30		CGEDRM
N#Cc1c([O-])csc1NC(=O)OC1CCCCC1	ZINC001193609265	810920036	/nfs/dbraw/zinc/92/00/36/810920036.db2.gz	VHZUBVBICSAVQP-UHFFFAOYSA-N	-1	0	266.322	3.207	20	30		CGEDRM
C#Cc1cccnc1Nc1ccc(Cl)c([O-])c1F	ZINC001214791597	815453452	/nfs/dbraw/zinc/45/34/52/815453452.db2.gz	ZJZNFFQMIFYLCG-UHFFFAOYSA-N	-1	0	262.671	3.305	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001201590169	811915696	/nfs/dbraw/zinc/91/56/96/811915696.db2.gz	BWSZKQKQEYEDSE-UHFFFAOYSA-N	-1	0	283.262	3.027	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccsc2C(=O)[O-])c1	ZINC001215391775	815514775	/nfs/dbraw/zinc/51/47/75/815514775.db2.gz	LOHFTJFPXXSZQK-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccsc1C(=O)[O-]	ZINC001215396046	815516603	/nfs/dbraw/zinc/51/66/03/815516603.db2.gz	VXIYUXCXJDHMSU-UHFFFAOYSA-N	-1	0	273.317	3.103	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c(F)c1	ZINC001215466215	815521369	/nfs/dbraw/zinc/52/13/69/815521369.db2.gz	NRZABWQPYDYELM-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC001203581950	812398892	/nfs/dbraw/zinc/39/88/92/812398892.db2.gz	IEVKQXQAWOMAEB-MRVPVSSYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
C[C@@H](C#N)N(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203585281	812400061	/nfs/dbraw/zinc/40/00/61/812400061.db2.gz	GEPZXADFMJIVOF-ZETCQYMHSA-N	-1	0	259.136	3.043	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(Cl)c(CO)c1F	ZINC001215605895	815545901	/nfs/dbraw/zinc/54/59/01/815545901.db2.gz	NRFMZOQACYJRQU-UHFFFAOYSA-N	-1	0	298.726	3.354	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001215613473	815547559	/nfs/dbraw/zinc/54/75/59/815547559.db2.gz	MUZKWWSANRROBJ-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1nc(C#N)c(Nc2ccc(C(=O)[O-])c(C)c2Cl)o1	ZINC001215691589	815559677	/nfs/dbraw/zinc/55/96/77/815559677.db2.gz	MDCVXPUAEYRXKK-UHFFFAOYSA-N	-1	0	291.694	3.258	20	30		CGEDRM
C#Cc1cccnc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215695080	815559708	/nfs/dbraw/zinc/55/97/08/815559708.db2.gz	ZMGJTGNKIMNPLW-UHFFFAOYSA-N	-1	0	290.681	3.297	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1ccc(O)cc1C(F)(F)F	ZINC001205093008	812859910	/nfs/dbraw/zinc/85/99/10/812859910.db2.gz	VDACDVQZBNHTDS-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#C[C@H](OCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1	ZINC001205691624	813053782	/nfs/dbraw/zinc/05/37/82/813053782.db2.gz	ZTPIWZLBBXRIEM-HNNXBMFYSA-N	-1	0	285.274	3.305	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3csc(C(=O)[O-])c3)ccc12	ZINC001206283613	813271345	/nfs/dbraw/zinc/27/13/45/813271345.db2.gz	DCNSDOIERHAZDP-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2csc(C(=O)[O-])c2)cc1	ZINC001206303683	813280108	/nfs/dbraw/zinc/28/01/08/813280108.db2.gz	PWFIHSLXMGZEPK-RIYZIHGNSA-N	-1	0	261.302	3.312	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cc(F)c([O-])cc3F)c2c1	ZINC001206755118	813423415	/nfs/dbraw/zinc/42/34/15/813423415.db2.gz	FVPLJDOFLOVKTB-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cc(F)c([O-])cc2F)n1	ZINC001206761580	813427705	/nfs/dbraw/zinc/42/77/05/813427705.db2.gz	NKDVYSSWEMZHDV-UHFFFAOYSA-N	-1	0	293.298	3.029	20	30		CGEDRM
Cc1nc(-c2cc(F)c([O-])cc2F)ccc1CC#N	ZINC001206768477	813429953	/nfs/dbraw/zinc/42/99/53/813429953.db2.gz	VKJVTYLEDXFUFJ-UHFFFAOYSA-N	-1	0	260.243	3.107	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889072	814189657	/nfs/dbraw/zinc/18/96/57/814189657.db2.gz	KDIPZGHFRLBANW-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210007573	814240676	/nfs/dbraw/zinc/24/06/76/814240676.db2.gz	QKWSPOPGOOYDQS-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)cc1	ZINC001210073121	814274289	/nfs/dbraw/zinc/27/42/89/814274289.db2.gz	HPTTWFMGKSBFOW-UHFFFAOYSA-N	-1	0	251.285	3.039	20	30		CGEDRM
Cc1cc2n[nH]cc2cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210105110	814291410	/nfs/dbraw/zinc/29/14/10/814291410.db2.gz	LKQBCTVJFYDHSA-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
C[C@@H](C#N)c1ccc(Nc2ccc(C(=O)[O-])nc2)cc1	ZINC001210177880	814322425	/nfs/dbraw/zinc/32/24/25/814322425.db2.gz	PGUDVGPAZFCXDV-JTQLQIEISA-N	-1	0	267.288	3.150	20	30		CGEDRM
C[C@H]1CC(=O)C=C(c2ccc3oc(=S)[n-]c3c2)C1	ZINC001242740252	823117552	/nfs/dbraw/zinc/11/75/52/823117552.db2.gz	APDRNGITZVNPGX-MRVPVSSYSA-N	-1	0	259.330	3.499	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)s1	ZINC001210240210	814360826	/nfs/dbraw/zinc/36/08/26/814360826.db2.gz	OSGPEYICSJEHQP-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cc(C)cc(C#N)c1	ZINC001210260157	814370804	/nfs/dbraw/zinc/37/08/04/814370804.db2.gz	HLLSSDAUOGEQPY-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#CCc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC001210395229	814442100	/nfs/dbraw/zinc/44/21/00/814442100.db2.gz	SAABEOSKZDBQOO-UHFFFAOYSA-N	-1	0	269.260	3.110	20	30		CGEDRM
C[C@H](O)c1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001210511086	814500385	/nfs/dbraw/zinc/50/03/85/814500385.db2.gz	JLRJQWNBHPDEIX-VIFPVBQESA-N	-1	0	272.279	3.200	20	30		CGEDRM
N#Cc1ccc(Nc2cccc([S-])c2)c(C#N)c1	ZINC001210949883	814688466	/nfs/dbraw/zinc/68/84/66/814688466.db2.gz	PWTCGJSKLKNJQJ-UHFFFAOYSA-N	-1	0	251.314	3.462	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccccc1C(=O)[O-]	ZINC001210967507	814694460	/nfs/dbraw/zinc/69/44/60/814694460.db2.gz	GGGNYRTWEPXXMV-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1ccc(Nc2ccccc2C(=O)[O-])cc1C#N	ZINC001210967639	814695041	/nfs/dbraw/zinc/69/50/41/814695041.db2.gz	ODWGTVRROJBBAG-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
Cc1cc(Nc2ncc(C#N)cc2Cl)cc(C(=O)[O-])c1	ZINC001211534588	814901830	/nfs/dbraw/zinc/90/18/30/814901830.db2.gz	AEECASWKKQKKRA-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(Nc2csc(C#N)c2)cc(C(=O)[O-])c1	ZINC001211542143	814903654	/nfs/dbraw/zinc/90/36/54/814903654.db2.gz	AJTSTIQNWJHFFF-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)nc2C)cc(C(=O)[O-])c1	ZINC001211539559	814903765	/nfs/dbraw/zinc/90/37/65/814903765.db2.gz	YZUFDTHVHAUKAQ-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-n2cc(C#N)c3ccc(N)cc32)c1	ZINC001211547172	814905408	/nfs/dbraw/zinc/90/54/08/814905408.db2.gz	IVJAHAHBLVYDND-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
COCOc1ccccc1Nc1scc([O-])c1C#N	ZINC001211556694	814907238	/nfs/dbraw/zinc/90/72/38/814907238.db2.gz	RIAMAXJSOVWFIE-UHFFFAOYSA-N	-1	0	276.317	3.052	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])cc1C	ZINC001211624306	814920438	/nfs/dbraw/zinc/92/04/38/814920438.db2.gz	BUHHWVOZJDWSLW-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Nc1c(F)cc(-c2cc(/C=N/[O-])ccc2F)cc1F	ZINC001242841004	823149156	/nfs/dbraw/zinc/14/91/56/823149156.db2.gz	YGCPQVRMCJAANR-NGYBGAFCSA-N	-1	0	266.222	3.161	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(Cl)ccc1O	ZINC001216397405	815811973	/nfs/dbraw/zinc/81/19/73/815811973.db2.gz	JSJHLUDINLXCNC-UHFFFAOYSA-N	-1	0	266.709	3.428	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc([S-])c2)cc1C#N	ZINC001242863514	823157258	/nfs/dbraw/zinc/15/72/58/823157258.db2.gz	BAKKEURDTFRVHC-UHFFFAOYSA-N	-1	0	269.325	3.301	20	30		CGEDRM
COc1ccc(-c2cccc([S-])c2)nc1CC#N	ZINC001242863762	823157413	/nfs/dbraw/zinc/15/74/13/823157413.db2.gz	ITCBYMKCQSRZJG-UHFFFAOYSA-N	-1	0	256.330	3.112	20	30		CGEDRM
Cc1c(Nc2cnc(C#N)c(Cl)c2)cccc1C(=O)[O-]	ZINC001216659046	815886546	/nfs/dbraw/zinc/88/65/46/815886546.db2.gz	NQJUZZBXNULUIV-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cc(Nc2cc(CC(=O)[O-])ccc2F)cs1	ZINC001216681283	815892794	/nfs/dbraw/zinc/89/27/94/815892794.db2.gz	RSBPPAYYXHSHRD-UHFFFAOYSA-N	-1	0	276.292	3.130	20	30		CGEDRM
Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)c(C#N)c1	ZINC001216683617	815893489	/nfs/dbraw/zinc/89/34/89/815893489.db2.gz	RPXFICGBQVKNPG-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#CC1(c2ccc(-c3ccccc3C(=O)[O-])nc2)CC1	ZINC001242877134	823161505	/nfs/dbraw/zinc/16/15/05/823161505.db2.gz	SUHLKHZPGRFNPH-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
N#Cc1ccc(-c2ccccc2C(=O)[O-])c2cc[nH]c21	ZINC001242880145	823162957	/nfs/dbraw/zinc/16/29/57/823162957.db2.gz	VLVUZFGVNLQQKU-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(C#N)c2[nH]ccc21	ZINC001242923611	823173622	/nfs/dbraw/zinc/17/36/22/823173622.db2.gz	CLBMBTJIZMZHNH-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(/C(C)=N/O)cc1	ZINC001242927348	823175111	/nfs/dbraw/zinc/17/51/11/823175111.db2.gz	PXDDFIAQRXPWHP-LICLKQGHSA-N	-1	0	285.299	3.259	20	30		CGEDRM
N#Cc1c(F)ccc(-c2c(F)cc(C(=O)[O-])cc2F)c1F	ZINC001222418625	816439562	/nfs/dbraw/zinc/43/95/62/816439562.db2.gz	PNXDYBUUXBHZAC-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
C#C[C@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222939705	816537824	/nfs/dbraw/zinc/53/78/24/816537824.db2.gz	HREHWUJWCNSXIJ-OPVNVCPSSA-N	-1	0	273.666	3.149	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CC[C@H](C)CC2)c1	ZINC001223892089	816698459	/nfs/dbraw/zinc/69/84/59/816698459.db2.gz	AZZOWBRVFKXGML-DRJZDEHESA-N	-1	0	293.363	3.435	20	30		CGEDRM
C=CC[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1	ZINC001225018857	816934826	/nfs/dbraw/zinc/93/48/26/816934826.db2.gz	JUZIELCEJGJELD-AWEZNQCLSA-N	-1	0	284.292	3.278	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665700	817133324	/nfs/dbraw/zinc/13/33/24/817133324.db2.gz	DKCMRRBKNAJJKN-YPMHNXCESA-N	-1	0	290.319	3.375	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(F)c1F	ZINC001226009533	817247949	/nfs/dbraw/zinc/24/79/49/817247949.db2.gz	YCATUEAJQQFMOX-SSDOTTSWSA-N	-1	0	294.232	3.216	20	30		CGEDRM
C[C@@H]1CC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1	ZINC001226065146	817262092	/nfs/dbraw/zinc/26/20/92/817262092.db2.gz	SHYZEDKKOXXBKK-HTQZYQBOSA-N	-1	0	286.253	3.245	20	30		CGEDRM
C[C@H](Oc1nccc(/C=N/O)n1)c1ccc(Cl)cc1	ZINC001226254054	817312098	/nfs/dbraw/zinc/31/20/98/817312098.db2.gz	PKMMHFAQSVARND-VKPPLCHCSA-N	-1	0	277.711	3.078	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(C)[n-]c(=O)c2F)C1	ZINC001226418814	817351320	/nfs/dbraw/zinc/35/13/20/817351320.db2.gz	DBMDZQQEQFOOFQ-RYUDHWBXSA-N	-1	0	278.327	3.310	20	30		CGEDRM
C=C(C)C[C@H](Oc1nc[n-]c(=O)c1Br)C(=C)C	ZINC001226722114	817446256	/nfs/dbraw/zinc/44/62/56/817446256.db2.gz	OJYJTEFZQGBPRN-VIFPVBQESA-N	-1	0	299.168	3.234	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226780495	817462799	/nfs/dbraw/zinc/46/27/99/817462799.db2.gz	MJKYAUFPXKLYHE-VIFPVBQESA-N	-1	0	278.381	3.155	20	30		CGEDRM
C=C[C@@H](CCCCCC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226978080	817522585	/nfs/dbraw/zinc/52/25/85/817522585.db2.gz	YRXGQBLZGUOMMH-LBPRGKRZSA-N	-1	0	287.363	3.222	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227716280	817701910	/nfs/dbraw/zinc/70/19/10/817701910.db2.gz	NIRCBTUFGFKFRQ-MNOVXSKESA-N	-1	0	278.352	3.287	20	30		CGEDRM
C=C[C@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228859256	818025179	/nfs/dbraw/zinc/02/51/79/818025179.db2.gz	JWUCUROQNNHEGU-ZCFIWIBFSA-N	-1	0	292.213	3.058	20	30		CGEDRM
C=C[C@H](CCCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231227717	818061598	/nfs/dbraw/zinc/06/15/98/818061598.db2.gz	LLGVTDROWGGHSX-SECBINFHSA-N	-1	0	296.279	3.332	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243322949	823346525	/nfs/dbraw/zinc/34/65/25/823346525.db2.gz	PHGCNACVMVJLAG-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc([O-])c(F)c2F)c1F	ZINC001243341611	823355454	/nfs/dbraw/zinc/35/54/54/823355454.db2.gz	VQKPPRZDTIJSRT-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc([O-])c(F)c2F)c1	ZINC001243342553	823356989	/nfs/dbraw/zinc/35/69/89/823356989.db2.gz	IIUKCLCEALWKJP-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
CC[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915323	818730535	/nfs/dbraw/zinc/73/05/35/818730535.db2.gz	IFOOXILMSURDDA-YPMHNXCESA-N	-1	0	260.337	3.315	20	30		CGEDRM
CCCC/C=C/[C@@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919418	818730810	/nfs/dbraw/zinc/73/08/10/818730810.db2.gz	NXCRZEGNQAZAFB-ABZNLYFFSA-N	-1	0	260.337	3.481	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234331929	818839843	/nfs/dbraw/zinc/83/98/43/818839843.db2.gz	KYRCBJLGCXBTOV-NSHDSACASA-N	-1	0	286.264	3.282	20	30		CGEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234411670	818848680	/nfs/dbraw/zinc/84/86/80/818848680.db2.gz	JMOUAZJNCFBYDG-SSDOTTSWSA-N	-1	0	284.237	3.308	20	30		CGEDRM
N#C[C@H](Oc1nc2c(cccc2O)[nH]1)c1ccccc1F	ZINC001234453779	818859093	/nfs/dbraw/zinc/85/90/93/818859093.db2.gz	ZDHFPPLWJAXQSE-ZDUSSCGKSA-N	-1	0	283.262	3.051	20	30		CGEDRM
C[C@@H](Oc1nc2cc(C#N)ccc2o1)C1=CC=C[CH]1	ZINC001234460668	818861538	/nfs/dbraw/zinc/86/15/38/818861538.db2.gz	OSWKUCDICAJMRW-SNVBAGLBSA-N	-1	0	251.265	3.167	20	30		CGEDRM
CCCC[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530141	818875992	/nfs/dbraw/zinc/87/59/92/818875992.db2.gz	IJTJGCCNFXUFGJ-JTQLQIEISA-N	-1	0	271.320	3.165	20	30		CGEDRM
N#C[C@H](Oc1ccccc1C=N[O-])c1ccccc1	ZINC001234823389	818927604	/nfs/dbraw/zinc/92/76/04/818927604.db2.gz	TYCZHWIGTVPCLW-HNNXBMFYSA-N	-1	0	252.273	3.138	20	30		CGEDRM
C[C@@H](C#N)N(C)Cc1cccc(-c2ccccc2)c1O	ZINC001234996399	818972964	/nfs/dbraw/zinc/97/29/64/818972964.db2.gz	CCRFUNNCHYRBJD-ZDUSSCGKSA-N	-1	0	266.344	3.403	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3c(F)cc(F)c([O-])c3F)cnc12	ZINC001236002207	819268906	/nfs/dbraw/zinc/26/89/06/819268906.db2.gz	KPTXOKUMYIDKQI-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
C#C[C@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237994072	819904374	/nfs/dbraw/zinc/90/43/74/819904374.db2.gz	BPHYFUGAONFJPM-JTQLQIEISA-N	-1	0	267.731	3.030	20	30		CGEDRM
C#C[C@@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237994075	819906364	/nfs/dbraw/zinc/90/63/64/819906364.db2.gz	BPHYFUGAONFJPM-SNVBAGLBSA-N	-1	0	267.731	3.030	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2F)nc(C)c1C#N	ZINC001239254016	820241199	/nfs/dbraw/zinc/24/11/99/820241199.db2.gz	HNXCVDZHKZFXNO-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
COc1cc(-c2cccc(CC#N)c2F)ccc1C(=O)[O-]	ZINC001240743311	821294504	/nfs/dbraw/zinc/29/45/04/821294504.db2.gz	SCYXCQQFJGQVOU-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])s2)cc1C(F)(F)F	ZINC001240848034	821368917	/nfs/dbraw/zinc/36/89/17/821368917.db2.gz	OREIWLABYFPSTO-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncnc2ccc(C#N)cc21	ZINC001240999390	821477676	/nfs/dbraw/zinc/47/76/76/821477676.db2.gz	MDMZUQXDERTSRE-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(/C=N/O)ccc1F	ZINC001241002778	821482334	/nfs/dbraw/zinc/48/23/34/821482334.db2.gz	NYXBRUGYNOWPIR-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(/C=N/O)c1	ZINC001241003362	821482480	/nfs/dbraw/zinc/48/24/80/821482480.db2.gz	ZEMFRURBAKPUFI-CXUHLZMHSA-N	-1	0	255.273	3.168	20	30		CGEDRM
N#Cc1ncc(-c2cccc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC001241359008	821759723	/nfs/dbraw/zinc/75/97/23/821759723.db2.gz	DQCZNRSHHRGFPU-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc(C(=O)[O-])c1)CCCC2	ZINC001241358479	821760016	/nfs/dbraw/zinc/76/00/16/821760016.db2.gz	QEPACYZWBRRCCC-UHFFFAOYSA-N	-1	0	278.311	3.197	20	30		CGEDRM
Nc1cc(C(F)(F)F)c(-c2ccccc2C=N[O-])cn1	ZINC001241684317	822066738	/nfs/dbraw/zinc/06/67/38/822066738.db2.gz	FNRFRLYGQLNBGF-UHFFFAOYSA-N	-1	0	281.237	3.158	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(F)cc(C(=O)[O-])c2)n1	ZINC001241812128	822158946	/nfs/dbraw/zinc/15/89/46/822158946.db2.gz	CRDGYPZCLFEJNF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cc(F)cc(C(=O)[O-])c1	ZINC001241817715	822159876	/nfs/dbraw/zinc/15/98/76/822159876.db2.gz	ZCYRRAHTFGIPHB-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001241828442	822167335	/nfs/dbraw/zinc/16/73/35/822167335.db2.gz	AGNONVPMFJTDEV-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1ccc(-c2cccc(CS)c2)cc1C(=O)[O-]	ZINC001241880240	822191246	/nfs/dbraw/zinc/19/12/46/822191246.db2.gz	KWXQCPNNFXIEFG-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
N#Cc1ccc2cc(-c3cccc(CC(=O)[O-])c3)ccc2n1	ZINC001242265413	822931037	/nfs/dbraw/zinc/93/10/37/822931037.db2.gz	VUMNQKFPZMBMBT-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cccc(Cl)c1[O-])CCC2	ZINC001242365752	822968785	/nfs/dbraw/zinc/96/87/85/822968785.db2.gz	SDGQNRNRAXQTLE-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2F)c(F)c1	ZINC001242379054	822974417	/nfs/dbraw/zinc/97/44/17/822974417.db2.gz	GJCWGMDWIYHQPL-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CCc1ccccc1-c1cccc(C(=O)[O-])c1F	ZINC001242379588	822974590	/nfs/dbraw/zinc/97/45/90/822974590.db2.gz	VYVFISBCLAPRPK-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1cc(F)cc(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242381832	822975453	/nfs/dbraw/zinc/97/54/53/822975453.db2.gz	HQZFSUMKDLVARI-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
C=CC[C@H](NC(=O)[C@@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC001339861067	936388667	/nfs/dbraw/zinc/38/86/67/936388667.db2.gz	DVHMRWRREYKVIE-KBPBESRZSA-N	-1	0	281.396	3.129	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1cccc(F)n1	ZINC001342611987	936472049	/nfs/dbraw/zinc/47/20/49/936472049.db2.gz	WNQFKDXALSDWOX-JTQLQIEISA-N	-1	0	262.259	3.195	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC001349818026	936963714	/nfs/dbraw/zinc/96/37/14/936963714.db2.gz	NKICSUNQSJQJNI-GFCCVEGCSA-N	-1	0	294.326	3.271	20	30		CGEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000212527999	927264145	/nfs/dbraw/zinc/26/41/45/927264145.db2.gz	VOHOEOYMABZRNQ-VURMDHGXSA-N	-1	0	269.256	3.197	20	30		CGEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)c(C)c1	ZINC001228901704	927309764	/nfs/dbraw/zinc/30/97/64/927309764.db2.gz	NQARNPBXUMVPTF-LBPRGKRZSA-N	-1	0	268.316	3.416	20	30		CGEDRM
C#CC1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCCC1	ZINC001455188411	937415208	/nfs/dbraw/zinc/41/52/08/937415208.db2.gz	TVSULOHQMOAQAJ-UHFFFAOYSA-N	-1	0	297.276	3.087	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2ccc(Cl)cc21	ZINC001228901675	932047855	/nfs/dbraw/zinc/04/78/55/932047855.db2.gz	NPGACTTYHQJTTG-CYBMUJFWSA-N	-1	0	286.718	3.379	20	30		CGEDRM
C#CC(C)(C)NC(=S)[N-]c1ccccc1SC	ZINC001249708197	932716238	/nfs/dbraw/zinc/71/62/38/932716238.db2.gz	HJIMJEPIRQOWTN-UHFFFAOYSA-N	-1	0	264.419	3.107	20	30		CGEDRM
CC[C@](C)(C#N)NC(=S)[N-]c1ccccc1SC	ZINC001249712550	932717602	/nfs/dbraw/zinc/71/76/02/932717602.db2.gz	CLPMZJROPBSKAD-CYBMUJFWSA-N	-1	0	279.434	3.387	20	30		CGEDRM
COC(=O)c1cccc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC001322547284	934313709	/nfs/dbraw/zinc/31/37/09/934313709.db2.gz	VVNRZNNMMKDRKG-MDZDMXLPSA-N	-1	0	282.295	3.075	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1ccc(Cl)cc1	ZINC001332711003	935484062	/nfs/dbraw/zinc/48/40/62/935484062.db2.gz	WMMMEOBATVCTRD-QMMMGPOBSA-N	-1	0	275.682	3.054	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1	ZINC001336243491	936183486	/nfs/dbraw/zinc/18/34/86/936183486.db2.gz	VCNMTEWRVXRYAQ-DZGCQCFKSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC001520167387	938023501	/nfs/dbraw/zinc/02/35/01/938023501.db2.gz	JSDRVROXFLZFTM-UHFFFAOYSA-N	-1	0	253.323	3.050	20	30		CGEDRM
N#Cc1ccsc1NC(=O)c1cccc(Cl)c1[O-]	ZINC001521436858	938031998	/nfs/dbraw/zinc/03/19/98/938031998.db2.gz	WONDSIIYYRLGKQ-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NCC2(C(=O)[O-])CCC2)c1	ZINC001602711911	971352007	/nfs/dbraw/zinc/35/20/07/971352007.db2.gz	ADNGAMNMJSGIMQ-UHFFFAOYSA-N	-1	0	288.347	3.096	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccsc1CC(=O)[O-]	ZINC000379090978	971599405	/nfs/dbraw/zinc/59/94/05/971599405.db2.gz	DOIZTRIQJLJOFO-UHFFFAOYSA-N	-1	0	295.404	3.242	20	30		CGEDRM
C=CCCC[C@H](C)Sc1[nH]c(=O)nc(C)c1C(=O)[O-]	ZINC001588784797	960488811	/nfs/dbraw/zinc/48/88/11/960488811.db2.gz	BKLLMGYWYRVURL-QMMMGPOBSA-N	-1	0	282.365	3.026	20	30		CGEDRM
N#Cc1ccc(Oc2ccc(C(=O)[O-])c(Cl)c2)nc1	ZINC001601110572	960547276	/nfs/dbraw/zinc/54/72/76/960547276.db2.gz	AARHJNHNWQGZCY-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
C=CCCN[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F	ZINC001602881495	960551674	/nfs/dbraw/zinc/55/16/74/960551674.db2.gz	YDNPERZGBNIGAK-LLVKDONJSA-N	-1	0	273.254	3.154	20	30		CGEDRM
C=CCC[C@H](C(=O)NCCCCC(=O)[O-])c1ccccc1	ZINC001573328684	962237058	/nfs/dbraw/zinc/23/70/58/962237058.db2.gz	LYDWZSPAHKSIDW-HNNXBMFYSA-N	-1	0	289.375	3.108	20	30		CGEDRM
C=CCC1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CCCCC1	ZINC001573328982	962243697	/nfs/dbraw/zinc/24/36/97/962243697.db2.gz	UDDQWEPEBYZUML-UONOGXRCSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CC1(CC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])CCCCC1	ZINC001573329640	962246044	/nfs/dbraw/zinc/24/60/44/962246044.db2.gz	JOYQFSSRWWCLIW-ZFWWWQNUSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1	ZINC001573329321	962246612	/nfs/dbraw/zinc/24/66/12/962246612.db2.gz	CWICSJVFHODRMG-MRXNPFEDSA-N	-1	0	296.322	3.398	20	30		CGEDRM
C=CCOc1ccc(OC(=O)C(CC)(CC)C(=O)[O-])cc1	ZINC001573337174	962252463	/nfs/dbraw/zinc/25/24/63/962252463.db2.gz	LPIFWYORRBVPFL-UHFFFAOYSA-N	-1	0	292.331	3.048	20	30		CGEDRM
C=C[C@H](Sc1nc2cc(F)ccc2s1)C(=O)[O-]	ZINC001573346889	962943530	/nfs/dbraw/zinc/94/35/30/962943530.db2.gz	HJEFBJHBWRMIRK-QMMMGPOBSA-N	-1	0	269.322	3.167	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ncc(C(=O)[O-])c2ccccc21	ZINC001573347822	962952143	/nfs/dbraw/zinc/95/21/43/962952143.db2.gz	OPYVRWBHEBYMKZ-UHFFFAOYSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001573347810	962952341	/nfs/dbraw/zinc/95/23/41/962952341.db2.gz	OLMFQVXHXFTGGV-SECBINFHSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC001573348205	962956341	/nfs/dbraw/zinc/95/63/41/962956341.db2.gz	UDXFUPDRLUSTAG-KGLIPLIRSA-N	-1	0	289.375	3.091	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC001588450675	963267925	/nfs/dbraw/zinc/26/79/25/963267925.db2.gz	YYPGYITVBWFSDO-UHFFFAOYSA-N	-1	0	295.423	3.232	20	30		CGEDRM
C=CCC1(C(=O)NCC(CC)(CC)C(=O)[O-])CCCC1	ZINC001588457751	963274626	/nfs/dbraw/zinc/27/46/26/963274626.db2.gz	LDEPVCYXNXSBNR-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1	ZINC001588452601	963274976	/nfs/dbraw/zinc/27/49/76/963274976.db2.gz	PLKMGKPZURYSHD-MARXPDLDSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C#Cc1ccc(NCc2ccc(C(=O)[O-])cn2)c(Cl)c1	ZINC001588518297	963276150	/nfs/dbraw/zinc/27/61/50/963276150.db2.gz	ZQGOXHSYLLSPJG-UHFFFAOYSA-N	-1	0	286.718	3.027	20	30		CGEDRM
C=C[C@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1	ZINC001588452464	963279029	/nfs/dbraw/zinc/27/90/29/963279029.db2.gz	PLKMGKPZURYSHD-FPAJZGIOSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)OCc1ccccc1C(=O)[O-]	ZINC001588537113	963285480	/nfs/dbraw/zinc/28/54/80/963285480.db2.gz	YTSKQGVTMKINEU-NSHDSACASA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(CC)ccc1CC	ZINC001588629739	963289872	/nfs/dbraw/zinc/28/98/72/963289872.db2.gz	SAPGASOJLZKMCD-UHFFFAOYSA-N	-1	0	275.348	3.171	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)C2(CCCCC2)C1	ZINC001588613944	963290329	/nfs/dbraw/zinc/29/03/29/963290329.db2.gz	HPZWDFAIXKRDPM-AWEZNQCLSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C(Cl)CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001588643604	963291565	/nfs/dbraw/zinc/29/15/65/963291565.db2.gz	NNOYOJFKRFXTEL-UHFFFAOYSA-N	-1	0	291.734	3.487	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC001588606147	963292167	/nfs/dbraw/zinc/29/21/67/963292167.db2.gz	WFBXOWGUVLHPMU-GFCCVEGCSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1c(F)c(OC)ccc1C(=O)[O-]	ZINC001588673376	963298797	/nfs/dbraw/zinc/29/87/97/963298797.db2.gz	TVTNGXMQHYWWLY-UHFFFAOYSA-N	-1	0	295.310	3.073	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC001588682842	963299742	/nfs/dbraw/zinc/29/97/42/963299742.db2.gz	RAXXMVIXRDAESM-LKFCYVNXSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=C[C@H](Nc1ccccc1COCc1ccccc1)C(=O)[O-]	ZINC001588701926	963302184	/nfs/dbraw/zinc/30/21/84/963302184.db2.gz	CXYZXOPCWPLEOY-INIZCTEOSA-N	-1	0	297.354	3.455	20	30		CGEDRM
C=C[C@H](Sc1nnc(-c2cc(C)cc(C)c2)o1)C(=O)[O-]	ZINC001588714545	963304794	/nfs/dbraw/zinc/30/47/94/963304794.db2.gz	JDASJUSZORIOOB-NSHDSACASA-N	-1	0	290.344	3.085	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588693154	963305093	/nfs/dbraw/zinc/30/50/93/963305093.db2.gz	SDPGSGORZQWZID-LBPRGKRZSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=C[C@@H](S[C@@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001588715581	963305949	/nfs/dbraw/zinc/30/59/49/963305949.db2.gz	ZOWYDJAARMWXMB-JOYOIKCWSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC001588714280	963307059	/nfs/dbraw/zinc/30/70/59/963307059.db2.gz	FACSEFBTTOVNID-SECBINFHSA-N	-1	0	296.735	3.121	20	30		CGEDRM
C=CC[C@@H](C)OC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588736372	963308568	/nfs/dbraw/zinc/30/85/68/963308568.db2.gz	YCMKUJDOOMCQSV-MRVPVSSYSA-N	-1	0	268.696	3.160	20	30		CGEDRM
C=CC[C@H](C(=O)[O-])N1CCCc2c(OC(F)F)cccc21	ZINC001588729990	963310056	/nfs/dbraw/zinc/31/00/56/963310056.db2.gz	OKPIQKLQGHNEQQ-GFCCVEGCSA-N	-1	0	297.301	3.070	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC001588742856	963311214	/nfs/dbraw/zinc/31/12/14/963311214.db2.gz	MJOYNPSRQTXSGL-UHFFFAOYSA-N	-1	0	294.257	3.016	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1	ZINC001588772401	963313790	/nfs/dbraw/zinc/31/37/90/963313790.db2.gz	FDTSGDYEDVOJLC-LBPRGKRZSA-N	-1	0	288.347	3.123	20	30		CGEDRM
C=CCC1(C(=O)Oc2ccc(C(=O)[O-])cc2)CCC1	ZINC001588767176	963315014	/nfs/dbraw/zinc/31/50/14/963315014.db2.gz	NKLMYATZTAGSOY-UHFFFAOYSA-N	-1	0	260.289	3.037	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)C(=C)CCC(=O)[O-])CCCC1(C)C	ZINC001588772846	963315907	/nfs/dbraw/zinc/31/59/07/963315907.db2.gz	NVTMMLYVSLXKOW-ZDUSSCGKSA-N	-1	0	279.380	3.001	20	30		CGEDRM
C=CCCC1(CNc2cncc(C(=O)[O-])n2)CCCC1	ZINC001588782629	963317303	/nfs/dbraw/zinc/31/73/03/963317303.db2.gz	XAMJUDHNCSGAHP-UHFFFAOYSA-N	-1	0	275.352	3.113	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1	ZINC001588779509	963317385	/nfs/dbraw/zinc/31/73/85/963317385.db2.gz	ZWUDRDYIZUKBLT-ZDUSSCGKSA-N	-1	0	299.326	3.415	20	30		CGEDRM
C=CCCCN(CC)C(=O)Nc1ccc(C(=O)[O-])s1	ZINC001588801647	963319980	/nfs/dbraw/zinc/31/99/80/963319980.db2.gz	QJUBCDFYVOQHNC-UHFFFAOYSA-N	-1	0	282.365	3.266	20	30		CGEDRM
C=CCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001588802664	963320677	/nfs/dbraw/zinc/32/06/77/963320677.db2.gz	SEQXYFYTIGWAAR-UHFFFAOYSA-N	-1	0	294.326	3.310	20	30		CGEDRM
CC(C)(C)C#CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1	ZINC001589684964	964017159	/nfs/dbraw/zinc/01/71/59/964017159.db2.gz	SFPWBXDWNJHSMO-UHFFFAOYSA-N	-1	0	294.734	3.131	20	30		CGEDRM
C#CCCCCCC(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-]	ZINC001588440725	964043827	/nfs/dbraw/zinc/04/38/27/964043827.db2.gz	LXYOPMNNAJKAAS-KRWDZBQOSA-N	-1	0	293.407	3.062	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588450279	964095953	/nfs/dbraw/zinc/09/59/53/964095953.db2.gz	CCFAQLMMTLGAAX-UHFFFAOYSA-N	-1	0	290.363	3.499	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC000393756358	972637283	/nfs/dbraw/zinc/63/72/83/972637283.db2.gz	HSTHBFNBNNRBFA-QMMMGPOBSA-N	-1	0	298.289	3.139	20	30		CGEDRM
Cc1cc(Nc2nc(C#N)c(Cl)s2)ccc1C(=O)[O-]	ZINC001605213407	972956109	/nfs/dbraw/zinc/95/61/09/972956109.db2.gz	HVPWWTKVGOTEHP-UHFFFAOYSA-N	-1	0	293.735	3.418	20	30		CGEDRM
N#Cc1ccc(NC[C@@H](CC2CC2)C(=O)[O-])cc1Cl	ZINC000405340539	973835276	/nfs/dbraw/zinc/83/52/76/973835276.db2.gz	HYAXFTFUCOQCGH-LLVKDONJSA-N	-1	0	278.739	3.124	20	30		CGEDRM
N#Cc1csc(CNc2cccc(CCC(=O)[O-])c2)c1	ZINC001605627102	973964034	/nfs/dbraw/zinc/96/40/34/973964034.db2.gz	ZHDGNVKVGRUCJG-UHFFFAOYSA-N	-1	0	286.356	3.249	20	30		CGEDRM
CC(C)n1cncc1/C=C\C(=O)c1cc(C(=O)[O-])cs1	ZINC001592145424	977002104	/nfs/dbraw/zinc/00/21/04/977002104.db2.gz	DOZHZVMEIDHKPQ-ARJAWSKDSA-N	-1	0	290.344	3.120	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001595705429	982285520	/nfs/dbraw/zinc/28/55/20/982285520.db2.gz	ZQTRAPISXMGBQO-BYNSBNAKSA-N	-1	0	295.423	3.162	20	30		CGEDRM
CCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@@H](C)C#N	ZINC001596354197	983815309	/nfs/dbraw/zinc/81/53/09/983815309.db2.gz	CQDQTMKHQKOYOJ-JTQLQIEISA-N	-1	0	280.755	3.020	20	30		CGEDRM
CCC(=O)c1ccc(Oc2ccc(C(=O)[O-])nc2C#N)cc1	ZINC001594720912	987201115	/nfs/dbraw/zinc/20/11/15/987201115.db2.gz	DKVHSUQKTTXGBE-UHFFFAOYSA-N	-1	0	296.282	3.036	20	30		CGEDRM
COc1ccccc1/C=C/C=C/C(=O)c1cc(C(=O)[O-])co1	ZINC001599705755	991289757	/nfs/dbraw/zinc/28/97/57/991289757.db2.gz	PGDWOJFAGVSCOI-JHMJBTLWSA-N	-1	0	298.294	3.439	20	30		CGEDRM
CC(C)[C@H]1CCC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001591088789	991625134	/nfs/dbraw/zinc/62/51/34/991625134.db2.gz	LTPBBCJZRCGQTI-RYUDHWBXSA-N	-1	0	287.363	3.278	20	30		CGEDRM
CC(C)C[C@@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-]	ZINC001591183129	991982473	/nfs/dbraw/zinc/98/24/73/991982473.db2.gz	FINCPIGDJIUWMV-CQSZACIVSA-N	-1	0	290.363	3.257	20	30		CGEDRM
CC(C)CN(CCC#N)Cc1ccc(C(=O)[O-])c(Cl)c1	ZINC001591322105	992291865	/nfs/dbraw/zinc/29/18/65/992291865.db2.gz	PMOMCGPQDNMLOV-UHFFFAOYSA-N	-1	0	294.782	3.410	20	30		CGEDRM
COc1ccc(O)c(C=Nc2cccc(C(=O)[O-])c2C)c1	ZINC001599598734	993784505	/nfs/dbraw/zinc/78/45/05/993784505.db2.gz	RQHJLTYKVCGLGE-UHFFFAOYSA-N	-1	0	285.299	3.158	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2ccc(C)c(C(=O)[O-])c2)CC1	ZINC001599105239	997463464	/nfs/dbraw/zinc/46/34/64/997463464.db2.gz	ZNJASYLVRGCYQA-CQSZACIVSA-N	-1	0	290.363	3.440	20	30		CGEDRM
C[C@@H]1C/C(=C\c2cc(C(=O)[O-])n(C)c2)C(=O)c2ccccc21	ZINC001594196645	998762093	/nfs/dbraw/zinc/76/20/93/998762093.db2.gz	LSWBTMLPSNYDRM-KAQJVSAMSA-N	-1	0	295.338	3.497	20	30		CGEDRM
C=CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000590552415	346850110	/nfs/dbraw/zinc/85/01/10/346850110.db2.gz	LGBRFZCMUSNHIX-UHFFFAOYSA-N	-1	0	298.298	3.133	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1c([O-])cc(F)cc1F	ZINC000156076538	346157168	/nfs/dbraw/zinc/15/71/68/346157168.db2.gz	LLLYEAQMAICGFW-UHFFFAOYSA-N	-1	0	283.318	3.489	20	30		CGEDRM
Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000254623741	346395846	/nfs/dbraw/zinc/39/58/46/346395846.db2.gz	HYUCVMBEWMZQEB-UHFFFAOYSA-N	-1	0	256.261	3.359	20	30		CGEDRM
CC(C)CCc1n[n-]c(=NCc2ccc(C#N)s2)s1	ZINC000594744360	347215859	/nfs/dbraw/zinc/21/58/59/347215859.db2.gz	YVGFESQQIIBHMS-UHFFFAOYSA-N	-1	0	292.433	3.094	20	30		CGEDRM
C[C@@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H]1C(=O)[O-]	ZINC000595968007	347373358	/nfs/dbraw/zinc/37/33/58/347373358.db2.gz	CQXWZUJXJMDNFF-SKDRFNHKSA-N	-1	0	294.301	3.043	20	30		CGEDRM
N#Cc1c(NCC2(C(=O)[O-])CCC2)cccc1C(F)F	ZINC000595971465	347373557	/nfs/dbraw/zinc/37/35/57/347373557.db2.gz	NYRRHRPVVSAAJR-UHFFFAOYSA-N	-1	0	280.274	3.163	20	30		CGEDRM
Cc1[n-]n(-c2ccc(F)c(Cl)c2)c(=O)c1CCC#N	ZINC000601937831	347926478	/nfs/dbraw/zinc/92/64/78/347926478.db2.gz	IVXVRMZGCYIYCA-JTQLQIEISA-N	-1	0	279.702	3.122	20	30		CGEDRM
CSc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1	ZINC000601934003	347925581	/nfs/dbraw/zinc/92/55/81/347925581.db2.gz	IHKKZDRPJSYDOA-CYBMUJFWSA-N	-1	0	273.361	3.051	20	30		CGEDRM
CC(C)[C@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601932857	347925934	/nfs/dbraw/zinc/92/59/34/347925934.db2.gz	UQQUJMQAZHODOZ-ZFWWWQNUSA-N	-1	0	281.359	3.333	20	30		CGEDRM
C=CCN=c1[n-]nc(SC[C@H](C)c2ccccc2)s1	ZINC000604839598	348135399	/nfs/dbraw/zinc/13/53/99/348135399.db2.gz	BZHXASQYHVWCTL-NSHDSACASA-N	-1	0	291.445	3.454	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(F)cc(F)c1	ZINC000339405649	215149293	/nfs/dbraw/zinc/14/92/93/215149293.db2.gz	ATZLTYKTQGHCQA-IWQZZHSRSA-N	-1	0	286.237	3.100	20	30		CGEDRM
C=CCCSc1n[n-]c(=Nc2ccccc2OC)s1	ZINC000606756154	348197775	/nfs/dbraw/zinc/19/77/75/348197775.db2.gz	UPORQEGJCIAOKP-UHFFFAOYSA-N	-1	0	293.417	3.380	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-]	ZINC000630319498	350823340	/nfs/dbraw/zinc/82/33/40/350823340.db2.gz	BSBZRGPEFIEDTH-XQLPTFJDSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000630328497	350823850	/nfs/dbraw/zinc/82/38/50/350823850.db2.gz	CVITVUVEENKXCK-BYCMXARLSA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CC/C=C\c1ccccc1)C(=O)[O-]	ZINC000630324612	350823912	/nfs/dbraw/zinc/82/39/12/350823912.db2.gz	GBBQBJAPEWDTPV-MLBQELRYSA-N	-1	0	287.359	3.016	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000634847208	351595867	/nfs/dbraw/zinc/59/58/67/351595867.db2.gz	BUZVWWJXRZWCLR-UHFFFAOYSA-N	-1	0	289.375	3.334	20	30		CGEDRM
C=C1CCN(C(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)CC1	ZINC000634912033	351603439	/nfs/dbraw/zinc/60/34/39/351603439.db2.gz	PUXVKAAXEKUVIX-KRWDZBQOSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C(=O)[O-])CCCCC1	ZINC000634931527	351605834	/nfs/dbraw/zinc/60/58/34/351605834.db2.gz	FCICUHSMBAUOGT-OKILXGFUSA-N	-1	0	291.391	3.121	20	30		CGEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000126689248	138386892	/nfs/dbraw/zinc/38/68/92/138386892.db2.gz	CXRKOKKMYPAPPC-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
C=CCC[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccccc1	ZINC000178763966	189144228	/nfs/dbraw/zinc/14/42/28/189144228.db2.gz	UCCOTCOMJULHBY-AWEZNQCLSA-N	-1	0	289.375	3.311	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1	ZINC000126607399	370946641	/nfs/dbraw/zinc/94/66/41/370946641.db2.gz	XKWOTZMQBDMHIJ-VIFPVBQESA-N	-1	0	289.360	3.307	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1F	ZINC000041519039	369189716	/nfs/dbraw/zinc/18/97/16/369189716.db2.gz	DDIKWPFNRRHYJX-SNVBAGLBSA-N	-1	0	290.319	3.089	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)s2)n1	ZINC000041520403	369189796	/nfs/dbraw/zinc/18/97/96/369189796.db2.gz	ROOKFNKQMRMIJT-SECBINFHSA-N	-1	0	262.359	3.312	20	30		CGEDRM
CCc1cc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000128569374	370963902	/nfs/dbraw/zinc/96/39/02/370963902.db2.gz	ZXPYWUWNXOOZMU-NSHDSACASA-N	-1	0	274.345	3.405	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc3ccccc32)n1	ZINC000161884941	372359387	/nfs/dbraw/zinc/35/93/87/372359387.db2.gz	GHTLJBXTBKTOHI-CYBMUJFWSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1sccc1C(C)C)C(=O)[O-]	ZINC000448996334	373654465	/nfs/dbraw/zinc/65/44/65/373654465.db2.gz	SDGNLWAXPRQDAQ-LLVKDONJSA-N	-1	0	281.377	3.021	20	30		CGEDRM
Cc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1C	ZINC000188208376	375176994	/nfs/dbraw/zinc/17/69/94/375176994.db2.gz	HIVVLQJABSVOLO-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)oc1CC	ZINC000487916259	375285281	/nfs/dbraw/zinc/28/52/81/375285281.db2.gz	LDUZEMJWHNEWCA-CYBMUJFWSA-N	-1	0	297.358	3.301	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000192846986	375794101	/nfs/dbraw/zinc/79/41/01/375794101.db2.gz	QULOGKWLAVYBCD-SMDDNHRTSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N(CCC)[C@@H](CC)C(=O)[O-]	ZINC000514772804	375806632	/nfs/dbraw/zinc/80/66/32/375806632.db2.gz	KWRBYEKSBQZFBV-STQMWFEESA-N	-1	0	284.400	3.016	20	30		CGEDRM
Cc1sc(/C=C/c2cccc(C#N)c2)nc1C(=O)[O-]	ZINC000339115566	376688950	/nfs/dbraw/zinc/68/89/50/376688950.db2.gz	YQXIUFFCEIBOCY-AATRIKPKSA-N	-1	0	270.313	3.192	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000274489020	378840989	/nfs/dbraw/zinc/84/09/89/378840989.db2.gz	JRSCMVPPRXKEDM-SNVBAGLBSA-N	-1	0	261.321	3.136	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]OCCSC)c1ccccc1	ZINC000280053563	379591881	/nfs/dbraw/zinc/59/18/81/379591881.db2.gz	QDWLCEXBMUJNOO-AWEZNQCLSA-N	-1	0	279.405	3.147	20	30		CGEDRM
Cc1cc(F)ccc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000357179435	381055921	/nfs/dbraw/zinc/05/59/21/381055921.db2.gz	BEXKANHXNCBOOU-ZZXKWVIFSA-N	-1	0	282.274	3.269	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1nccc2ccccc21	ZINC000361525531	381786765	/nfs/dbraw/zinc/78/67/65/381786765.db2.gz	NMWCKJIGNOSGLL-GFCCVEGCSA-N	-1	0	279.324	3.181	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)o1	ZINC000362132658	381885893	/nfs/dbraw/zinc/88/58/93/381885893.db2.gz	CPSGCBXHDMQVOM-SNVBAGLBSA-N	-1	0	294.232	3.492	20	30		CGEDRM
N#CC(=C([O-])c1cc(C#N)cs1)c1nc(C2CC2)cs1	ZINC000647378290	392712324	/nfs/dbraw/zinc/71/23/24/392712324.db2.gz	LOCINHPURHNPFQ-SNVBAGLBSA-N	-1	0	299.380	3.444	20	30		CGEDRM
CCc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1C	ZINC000647379909	392712416	/nfs/dbraw/zinc/71/24/16/392712416.db2.gz	XRSGPBXYETVDRV-LBPRGKRZSA-N	-1	0	299.399	3.411	20	30		CGEDRM
C=C[C@H](C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	ZINC000427161105	393454430	/nfs/dbraw/zinc/45/44/30/393454430.db2.gz	DYHORBGRLFWSEL-ZETCQYMHSA-N	-1	0	281.768	3.096	20	30		CGEDRM
C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)[O-]	ZINC000004451125	169968374	/nfs/dbraw/zinc/96/83/74/169968374.db2.gz	OOLJHTNNLJIHMB-JTQLQIEISA-N	-1	0	284.340	3.185	20	30		CGEDRM
Cc1c2cccc(F)c2oc1C([O-])=C(C#N)c1ccncn1	ZINC000680617246	543719735	/nfs/dbraw/zinc/71/97/35/543719735.db2.gz	KLCYULKXZCRVFK-NSHDSACASA-N	-1	0	295.273	3.160	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)sc1C	ZINC000683688968	543931906	/nfs/dbraw/zinc/93/19/06/543931906.db2.gz	JKYMXWUGWYMZHL-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CCCCCCNC(=O)CCc1ccccc1C(=O)[O-]	ZINC000656246481	419158187	/nfs/dbraw/zinc/15/81/87/419158187.db2.gz	NKNYLZLGMQJBIW-UHFFFAOYSA-N	-1	0	289.375	3.180	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccs2)C1	ZINC000076756661	260166596	/nfs/dbraw/zinc/16/65/96/260166596.db2.gz	BTINJFVOCIRGMA-NXEZZACHSA-N	-1	0	287.406	3.220	20	30		CGEDRM
CC(C)(O)CC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000274784050	263030175	/nfs/dbraw/zinc/03/01/75/263030175.db2.gz	LUVDHYDHJWJBOT-VIZOYTHASA-N	-1	0	276.163	3.279	20	30		CGEDRM
CC[C@H](C)[C@@H](C)NC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000330800460	264041634	/nfs/dbraw/zinc/04/16/34/264041634.db2.gz	ISVGOYYDKNBSND-DTWKUNHWSA-N	-1	0	284.429	3.018	20	30		CGEDRM
N#Cc1cnccc1/C=C\c1cc(F)c([O-])c(F)c1	ZINC000527303978	288164695	/nfs/dbraw/zinc/16/46/95/288164695.db2.gz	XTGPYHJOKWPOLT-UPHRSURJSA-N	-1	0	258.227	3.107	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000112483422	327962160	/nfs/dbraw/zinc/96/21/60/327962160.db2.gz	XXXXZWRLRGNJRT-SECBINFHSA-N	-1	0	297.339	3.368	20	30		CGEDRM
CCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1	ZINC000236817581	329691148	/nfs/dbraw/zinc/69/11/48/329691148.db2.gz	VYPMFXIEXMCKEL-UHFFFAOYSA-N	-1	0	293.322	3.133	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000262910936	330036778	/nfs/dbraw/zinc/03/67/78/330036778.db2.gz	NDURVFSLMKDDNM-KGLIPLIRSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000263557631	330059749	/nfs/dbraw/zinc/05/97/49/330059749.db2.gz	ZQMKLLPEFYQELS-UKRRQHHQSA-N	-1	0	289.375	3.106	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C2(C#N)CCCC2)c1	ZINC000436833978	330686249	/nfs/dbraw/zinc/68/62/49/330686249.db2.gz	KTYGRUWWTFXJPN-UHFFFAOYSA-N	-1	0	286.331	3.007	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)N=c1[n-]nc(CCCCC)s1	ZINC000466395658	331394165	/nfs/dbraw/zinc/39/41/65/331394165.db2.gz	JYCJPRPUSGCLCO-NSHDSACASA-N	-1	0	296.440	3.169	20	30		CGEDRM
C=CCn1c(C2CCCC2)n[n-]c1=Nc1cccc(OC)c1	ZINC000554929197	334461057	/nfs/dbraw/zinc/46/10/57/334461057.db2.gz	ZDMKXQFMAKFACC-UHFFFAOYSA-N	-1	0	298.390	3.296	20	30		CGEDRM
C=CC1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1	ZINC000576765830	335245391	/nfs/dbraw/zinc/24/53/91/335245391.db2.gz	KXFJTRGTEVGRDE-UHFFFAOYSA-N	-1	0	299.292	3.449	20	30		CGEDRM
CC(C)c1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1	ZINC000354928084	528066663	/nfs/dbraw/zinc/06/66/63/528066663.db2.gz	WVLBQJLTPFOWNC-UHFFFAOYSA-N	-1	0	296.374	3.133	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1	ZINC000748441053	571677003	/nfs/dbraw/zinc/67/70/03/571677003.db2.gz	VGJJTPYXRDUTLB-UPHRSURJSA-N	-1	0	289.337	3.276	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cc(F)c(F)c(F)c1	ZINC000727969516	571781660	/nfs/dbraw/zinc/78/16/60/571781660.db2.gz	HXPLAFDYLBPADU-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccnc2Cl)s1	ZINC000728699902	571816066	/nfs/dbraw/zinc/81/60/66/571816066.db2.gz	ZGSXNSBRHYGTEQ-ONEGZZNKSA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1F	ZINC000729141149	571878066	/nfs/dbraw/zinc/87/80/66/571878066.db2.gz	UCCAHKNNKRBVBT-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CC(Cc1ccsc1)N=Nc1ccccc1C(=O)[O-]	ZINC000729635530	571925971	/nfs/dbraw/zinc/92/59/71/571925971.db2.gz	YVVNPAGRYIYQGR-UHFFFAOYSA-N	-1	0	274.345	3.477	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000730148735	571951529	/nfs/dbraw/zinc/95/15/29/571951529.db2.gz	KPXWZCYYEIFZGZ-AATRIKPKSA-N	-1	0	283.308	3.214	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cccc(F)c2F)cc1	ZINC000730721797	572369598	/nfs/dbraw/zinc/36/95/98/572369598.db2.gz	KJRKQUOEKPQIQA-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
N#Cc1ccc([C@@H](SCc2ccco2)C(=O)[O-])cc1	ZINC000739119237	572402594	/nfs/dbraw/zinc/40/25/94/572402594.db2.gz	WBPSHMVZVYQTEL-CYBMUJFWSA-N	-1	0	273.313	3.210	20	30		CGEDRM
N#Cc1ccc(OCc2ccc(F)cc2C(=O)[O-])cc1F	ZINC000739129397	572402915	/nfs/dbraw/zinc/40/29/15/572402915.db2.gz	WSZQHBLFFFMNDK-UHFFFAOYSA-N	-1	0	289.237	3.114	20	30		CGEDRM
O=C([O-])C[C@H](/N=C/c1ccccc1O)c1ccccc1	ZINC000739627720	572421319	/nfs/dbraw/zinc/42/13/19/572421319.db2.gz	ZELBAWBPWNVTPJ-MPMPPSQCSA-N	-1	0	269.300	3.027	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)o1	ZINC000740123866	572432912	/nfs/dbraw/zinc/43/29/12/572432912.db2.gz	QTETZZJPNNCEQV-SDQBBNPISA-N	-1	0	290.658	3.247	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C/C=C/c2ccccc2)c1	ZINC000732925619	572492431	/nfs/dbraw/zinc/49/24/31/572492431.db2.gz	AWDNKQTUFPWFJG-FZHIPVGDSA-N	-1	0	282.299	3.433	20	30		CGEDRM
COc1ccc(C)cc1C=NNc1cccc(C(=O)[O-])c1	ZINC000744555521	572764197	/nfs/dbraw/zinc/76/41/97/572764197.db2.gz	OSBPEGAOBSMMAW-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
C=CCCC(=O)Oc1cc2ccccc2cc1C(=O)[O-]	ZINC000736097470	572769065	/nfs/dbraw/zinc/76/90/65/572769065.db2.gz	MMHGMJVKYBZYQU-UHFFFAOYSA-N	-1	0	270.284	3.410	20	30		CGEDRM
C=CCOc1cccc(N[C@H](C(=O)[O-])c2ccccc2)c1	ZINC000736114476	572769102	/nfs/dbraw/zinc/76/91/02/572769102.db2.gz	SYMFNPOQELWAPA-INIZCTEOSA-N	-1	0	283.327	3.489	20	30		CGEDRM
CC(C)CON=Cc1cccc(Br)c1[O-]	ZINC000749632220	573025792	/nfs/dbraw/zinc/02/57/92/573025792.db2.gz	WUSWULVVJKGVNT-UHFFFAOYSA-N	-1	0	272.142	3.161	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\Cc3cc(F)ccc3C2=O)cc1	ZINC000114992405	600566524	/nfs/dbraw/zinc/56/65/24/600566524.db2.gz	OZRPJZBATRQYPZ-NTUHNPAUSA-N	-1	0	282.270	3.346	20	30		CGEDRM
C#CCN(CC)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000825614658	601226986	/nfs/dbraw/zinc/22/69/86/601226986.db2.gz	TUCCDNQWVGRESA-GFCCVEGCSA-N	-1	0	286.158	3.074	20	30		CGEDRM
N#Cc1nc(Oc2cccc(C(=O)[O-])c2)ccc1Cl	ZINC000833078826	601246114	/nfs/dbraw/zinc/24/61/14/601246114.db2.gz	QBRXWLRBQNQRFC-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
Cc1ccc(NCc2cc(C#N)ccc2F)cc1C(=O)[O-]	ZINC000832951489	601251566	/nfs/dbraw/zinc/25/15/66/601251566.db2.gz	GAKMHPULQJSJEI-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
CCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000830084791	601297692	/nfs/dbraw/zinc/29/76/92/601297692.db2.gz	MLVDQRQJDQTKFE-MRXNPFEDSA-N	-1	0	296.326	3.195	20	30		CGEDRM
Cc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832970885	601297868	/nfs/dbraw/zinc/29/78/68/601297868.db2.gz	LJHQQLZRAWOTTC-OAHLLOKOSA-N	-1	0	266.300	3.105	20	30		CGEDRM
CC1(C)c2ccccc2C(=O)/C1=C/c1ccc(C(=O)[O-])[nH]1	ZINC000828042023	601331268	/nfs/dbraw/zinc/33/12/68/601331268.db2.gz	LOYNKTJCEYFWPV-LCYFTJDESA-N	-1	0	281.311	3.270	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)[nH]1	ZINC000833312537	601332290	/nfs/dbraw/zinc/33/22/90/601332290.db2.gz	QKPMZICMFWZESG-ZZXKWVIFSA-N	-1	0	298.273	3.229	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Cc3cc(Cl)ccc3C2=O)[nH]1	ZINC000833312783	601332870	/nfs/dbraw/zinc/33/28/70/601332870.db2.gz	XPFYVLIZNLZSOJ-CLFYSBASSA-N	-1	0	287.702	3.189	20	30		CGEDRM
Cc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1C	ZINC000832963711	601332928	/nfs/dbraw/zinc/33/29/28/601332928.db2.gz	IYAIILBVNZOIEU-VQHVLOKHSA-N	-1	0	269.300	3.226	20	30		CGEDRM
CC(C)(C#N)CCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000087599172	601346373	/nfs/dbraw/zinc/34/63/73/601346373.db2.gz	CYBNTZDXQYBVRD-UHFFFAOYSA-N	-1	0	292.291	3.002	20	30		CGEDRM
CCOc1cccc(C=Nc2ccccc2CC(=O)[O-])c1O	ZINC000818251227	601365411	/nfs/dbraw/zinc/36/54/11/601365411.db2.gz	YQTHKKZVLLBZGH-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
CC(C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)=C1CCCC1	ZINC000826061139	601567756	/nfs/dbraw/zinc/56/77/56/601567756.db2.gz	AIPBJPQARLCJPY-OAHLLOKOSA-N	-1	0	299.326	3.118	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1CON=Cc1cccc(F)c1	ZINC000833031855	601629829	/nfs/dbraw/zinc/62/98/29/601629829.db2.gz	UDNYRFDIDSOKEU-UHFFFAOYSA-N	-1	0	293.319	3.445	20	30		CGEDRM
CCCCCCCCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000829356683	601802914	/nfs/dbraw/zinc/80/29/14/601802914.db2.gz	HCYVECCHNVDWCK-KGLIPLIRSA-N	-1	0	298.427	3.099	20	30		CGEDRM
C=CCCNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000825676134	602113233	/nfs/dbraw/zinc/11/32/33/602113233.db2.gz	WVHGTRMNGCXWIY-UHFFFAOYSA-N	-1	0	271.316	3.291	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000776602685	602291909	/nfs/dbraw/zinc/29/19/09/602291909.db2.gz	WSQHIQISBZRSTI-UHFFFAOYSA-N	-1	0	285.343	3.042	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1sccc1C(=O)[O-]	ZINC000825664533	602294067	/nfs/dbraw/zinc/29/40/67/602294067.db2.gz	CWPYAXNXWIOSTR-UHFFFAOYSA-N	-1	0	265.334	3.153	20	30		CGEDRM
O=C(C=Cc1ccnn1C1CCC1)c1sccc1[O-]	ZINC000899365602	620674448	/nfs/dbraw/zinc/67/44/48/620674448.db2.gz	BQKHZXCGXNPZML-PLNGDYQASA-N	-1	0	274.345	3.271	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C2\COc3ccc(F)cc32)cc1	ZINC000833310413	604628813	/nfs/dbraw/zinc/62/88/13/604628813.db2.gz	PIQKFJUMRIOQHC-KPKJPENVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H](C)c1ccccc1	ZINC000763369709	604666939	/nfs/dbraw/zinc/66/69/39/604666939.db2.gz	JHYLEPDFFKTBEC-NSHDSACASA-N	-1	0	283.331	3.371	20	30		CGEDRM
CC(C)(C)C1=CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC000833426119	604768999	/nfs/dbraw/zinc/76/89/99/604768999.db2.gz	HFQJIUPBLWNTJV-UHFFFAOYSA-N	-1	0	298.386	3.435	20	30		CGEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21	ZINC000828410387	604961275	/nfs/dbraw/zinc/96/12/75/604961275.db2.gz	AXCAOYASADYQQR-PXAZEXFGSA-N	-1	0	292.338	3.308	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000040521570	605130042	/nfs/dbraw/zinc/13/00/42/605130042.db2.gz	QBVYQIJFMNDQSZ-UHFFFAOYSA-N	-1	0	294.738	3.244	20	30		CGEDRM
CCc1noc(C)c1C(C)=NNc1cccc(C(=O)[O-])c1	ZINC000769793694	605593495	/nfs/dbraw/zinc/59/34/95/605593495.db2.gz	AYLDSSAEMNNWSR-UHFFFAOYSA-N	-1	0	287.319	3.080	20	30		CGEDRM
C#CCCCCCC(=O)OCc1ccc(NC(=O)[O-])cc1	ZINC000833361907	605632574	/nfs/dbraw/zinc/63/25/74/605632574.db2.gz	RGDQBXPKNBGYJI-UHFFFAOYSA-N	-1	0	289.331	3.403	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)CCCCC1	ZINC000899545589	620708807	/nfs/dbraw/zinc/70/88/07/620708807.db2.gz	CCNUPAIUJJADCA-ZIAGYGMSSA-N	-1	0	293.407	3.225	20	30		CGEDRM
Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2cccs2)c1	ZINC000042243934	620710107	/nfs/dbraw/zinc/71/01/07/620710107.db2.gz	RLFRDICZIQITAP-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
Cc1cccc(C2(C(=O)[N-]S(=O)(=O)C(C)C)CCC2)c1	ZINC000049417647	617607607	/nfs/dbraw/zinc/60/76/07/617607607.db2.gz	XUWGVRUTHWPAHB-UHFFFAOYSA-N	-1	0	295.404	3.111	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000049417957	617607977	/nfs/dbraw/zinc/60/79/77/617607977.db2.gz	ALUGKPBXSDDRNW-UHFFFAOYSA-N	-1	0	296.175	3.036	20	30		CGEDRM
N#CC(C(=O)C1CCC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000140487279	617830137	/nfs/dbraw/zinc/83/01/37/617830137.db2.gz	WDSMGCMFCDNCRS-LBPRGKRZSA-N	-1	0	287.384	3.319	20	30		CGEDRM
Cc1cc(C)c(C=CC(=O)[N-]S(=O)(=O)C(C)C)cc1C	ZINC000049417736	618060735	/nfs/dbraw/zinc/06/07/35/618060735.db2.gz	GTFDCVMKFDGRKR-VOTSOKGWSA-N	-1	0	295.404	3.320	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccc(C#N)c2)c([O-])c1	ZINC000255230790	618118408	/nfs/dbraw/zinc/11/84/08/618118408.db2.gz	XUNURIYUZSOAJH-YVMONPNESA-N	-1	0	279.295	3.169	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(C(=C)C)c1)C(=O)[O-]	ZINC000900355328	620781970	/nfs/dbraw/zinc/78/19/70/620781970.db2.gz	LGZKUBPNXZAGOP-AWEZNQCLSA-N	-1	0	288.347	3.261	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077881678	618217840	/nfs/dbraw/zinc/21/78/40/618217840.db2.gz	QIQGEOLJBGSJKM-NSHDSACASA-N	-1	0	267.350	3.000	20	30		CGEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccsc1	ZINC000255441724	618499909	/nfs/dbraw/zinc/49/99/09/618499909.db2.gz	YRAOXKSXIAZJDF-RJRFIUFISA-N	-1	0	275.285	3.258	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000044766149	618615951	/nfs/dbraw/zinc/61/59/51/618615951.db2.gz	AWBDNCQSGGTQOF-UHFFFAOYSA-N	-1	0	294.738	3.307	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)o1	ZINC000255544835	618661960	/nfs/dbraw/zinc/66/19/60/618661960.db2.gz	NRZJVRRHPMNCFJ-DAXSKMNVSA-N	-1	0	287.271	3.352	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3c(cccc3F)[nH]2)c1	ZINC000176820828	618740496	/nfs/dbraw/zinc/74/04/96/618740496.db2.gz	ZTFJJGMOTOIMQY-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1cc(F)ccc1[O-]	ZINC000255753481	618784988	/nfs/dbraw/zinc/78/49/88/618784988.db2.gz	HWQRIAQSACWTPE-XQRVVYSFSA-N	-1	0	288.322	3.448	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000072595075	625312560	/nfs/dbraw/zinc/31/25/60/625312560.db2.gz	WPOAWYMADRQWBD-LLVKDONJSA-N	-1	0	269.366	3.076	20	30		CGEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519372	619503832	/nfs/dbraw/zinc/50/38/32/619503832.db2.gz	KFOACGMYLHPTJZ-UHFFFAOYSA-N	-1	0	295.404	3.443	20	30		CGEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccc(F)cc1	ZINC000049514105	620167736	/nfs/dbraw/zinc/16/77/36/620167736.db2.gz	MREXWRNEUCMYKW-UHFFFAOYSA-N	-1	0	299.367	3.040	20	30		CGEDRM
O=C(/C=C/c1cccc(F)c1)c1ccc(O)cc1[O-]	ZINC000148665125	620409215	/nfs/dbraw/zinc/40/92/15/620409215.db2.gz	JNZWGNVXSQZHBQ-QPJJXVBHSA-N	-1	0	258.248	3.133	20	30		CGEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000073087105	625430082	/nfs/dbraw/zinc/43/00/82/625430082.db2.gz	OPDFBLSEZVLZGE-BZYZDCJZSA-N	-1	0	281.377	3.236	20	30		CGEDRM
COc1ccc(C(=O)C=Cc2nc(C(C)C)c[nH]2)c([O-])c1	ZINC000901482831	620892970	/nfs/dbraw/zinc/89/29/70/620892970.db2.gz	XLJVIQOEIFDFAD-SREVYHEPSA-N	-1	0	286.331	3.143	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1OC1CCCC1	ZINC000901586454	620936035	/nfs/dbraw/zinc/93/60/35/620936035.db2.gz	LBZIVWHQEDQYRH-UHFFFAOYSA-N	-1	0	289.375	3.081	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)NC[C@H](CC)C(=O)[O-]	ZINC000905056822	622034464	/nfs/dbraw/zinc/03/44/64/622034464.db2.gz	YBKQOIYGWIDIKK-LBPRGKRZSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000907772550	622311748	/nfs/dbraw/zinc/31/17/48/622311748.db2.gz	RBYOAANBYHQUDJ-MRVPVSSYSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=C1CCC(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CC1	ZINC000908652264	622362860	/nfs/dbraw/zinc/36/28/60/622362860.db2.gz	SFGMGFSHFBRRAD-UHFFFAOYSA-N	-1	0	285.343	3.020	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000908842104	622375144	/nfs/dbraw/zinc/37/51/44/622375144.db2.gz	PDGROIAUYHSELN-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000909108985	622396413	/nfs/dbraw/zinc/39/64/13/622396413.db2.gz	MSFMNSMVDPCSGY-AWEZNQCLSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000909318362	622416366	/nfs/dbraw/zinc/41/63/66/622416366.db2.gz	KCIBULNADFYEFA-AWEZNQCLSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCC[C@H](NC(=O)c1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC000909714185	622418216	/nfs/dbraw/zinc/41/82/16/622418216.db2.gz	VDKVBNUATBFAJR-LBPRGKRZSA-N	-1	0	295.766	3.106	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1oc(C(=O)[O-])cc1C	ZINC000909933650	622437719	/nfs/dbraw/zinc/43/77/19/622437719.db2.gz	YVVXZHWWQZHMJJ-VXGBXAGGSA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000910121478	622464156	/nfs/dbraw/zinc/46/41/56/622464156.db2.gz	VJBXXZNLAPQGTC-MRXNPFEDSA-N	-1	0	279.380	3.001	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910739540	622501920	/nfs/dbraw/zinc/50/19/20/622501920.db2.gz	APFWPVJMVJVASV-CQSZACIVSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)[C@H](C(=O)[O-])C(C)C	ZINC000911401024	622532403	/nfs/dbraw/zinc/53/24/03/622532403.db2.gz	ARPOTCUIBSJQCG-CQSZACIVSA-N	-1	0	275.348	3.101	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cccnc2Cl)c([O-])c1	ZINC000156618532	622830028	/nfs/dbraw/zinc/83/00/28/622830028.db2.gz	BWRVPMPGSSHRRT-QPJJXVBHSA-N	-1	0	289.718	3.345	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1ccc(C(C)(C)C)s1	ZINC000166291111	622880712	/nfs/dbraw/zinc/88/07/12/622880712.db2.gz	LKSWPXXARDXAOA-UHFFFAOYSA-N	-1	0	267.394	3.118	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000915105839	623895950	/nfs/dbraw/zinc/89/59/50/623895950.db2.gz	GZAGZBVVNJDMMU-YFHOEESVSA-N	-1	0	291.306	3.081	20	30		CGEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cccs1	ZINC000916870259	624220588	/nfs/dbraw/zinc/22/05/88/624220588.db2.gz	DIGISWBIMLSFIE-CYBMUJFWSA-N	-1	0	295.363	3.371	20	30		CGEDRM
CC(C)(C#N)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1	ZINC000917663968	624303668	/nfs/dbraw/zinc/30/36/68/624303668.db2.gz	RKDZIUVDPPMPBU-UHFFFAOYSA-N	-1	0	288.328	3.088	20	30		CGEDRM
O=C1c2ccccc2OC/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000175317160	624628682	/nfs/dbraw/zinc/62/86/82/624628682.db2.gz	BHBZBRVKLKBROC-YHYXMXQVSA-N	-1	0	288.249	3.329	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cncc(F)c1	ZINC000175326970	624629603	/nfs/dbraw/zinc/62/96/03/624629603.db2.gz	JYGQTSSADMMQQY-OWOJBTEDSA-N	-1	0	279.217	3.101	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000923080047	626129075	/nfs/dbraw/zinc/12/90/75/626129075.db2.gz	ITGDVUKSOMBKTQ-LLVKDONJSA-N	-1	0	288.347	3.143	20	30		CGEDRM
Cc1cc(F)ccc1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000750945973	626371220	/nfs/dbraw/zinc/37/12/20/626371220.db2.gz	KLWBKOSONSQXTK-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc3c2OCCO3)c([O-])c1	ZINC000757474412	626781309	/nfs/dbraw/zinc/78/13/09/626781309.db2.gz	BBXABBPGUYWQGE-VURMDHGXSA-N	-1	0	296.322	3.368	20	30		CGEDRM
CC(C)n1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cn1	ZINC000757474278	626781763	/nfs/dbraw/zinc/78/17/63/626781763.db2.gz	AGSZAYJHKWMKII-ONEGZZNKSA-N	-1	0	292.285	3.344	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccc3c2OCO3)c([O-])c1	ZINC000757477056	626782078	/nfs/dbraw/zinc/78/20/78/626782078.db2.gz	YOIWDWCZXZTYAQ-SOFGYWHQSA-N	-1	0	282.295	3.325	20	30		CGEDRM
O=C(/C=C\c1cccc(O)c1)c1cc(F)cc(F)c1[O-]	ZINC000757476814	626782170	/nfs/dbraw/zinc/78/21/70/626782170.db2.gz	SSODAIWCHLHJMC-PLNGDYQASA-N	-1	0	276.238	3.272	20	30		CGEDRM
O=C(/C=C\c1nc(Cl)cs1)c1ccc(O)cc1[O-]	ZINC000759085231	626873486	/nfs/dbraw/zinc/87/34/86/626873486.db2.gz	UCQQHFPDTIKYDF-ARJAWSKDSA-N	-1	0	281.720	3.104	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCc2ccc(F)cc2)cc1	ZINC000759179181	626878480	/nfs/dbraw/zinc/87/84/80/626878480.db2.gz	KGNTYMLXOCRSEH-UHFFFAOYSA-N	-1	0	272.279	3.164	20	30		CGEDRM
Cn1cnc2cc(/C=C\C(=O)c3ccc(F)cc3[O-])ccc21	ZINC000761206187	627025238	/nfs/dbraw/zinc/02/52/38/627025238.db2.gz	RFXGELOHOZMRSO-CLTKARDFSA-N	-1	0	296.301	3.314	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000772802413	627824707	/nfs/dbraw/zinc/82/47/07/627824707.db2.gz	PJCLQPDENLOIIG-XVNBXDOJSA-N	-1	0	299.282	3.211	20	30		CGEDRM
CC(=NOCc1ccc(F)cc1)c1ccc(C(=O)[O-])o1	ZINC000773072404	627850628	/nfs/dbraw/zinc/85/06/28/627850628.db2.gz	FLYOKTUBSCFOCV-UHFFFAOYSA-N	-1	0	277.251	3.058	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCc1cnccn1	ZINC000774541835	628003971	/nfs/dbraw/zinc/00/39/71/628003971.db2.gz	LILZPQBTRZEMPW-APSNUPSMSA-N	-1	0	296.157	3.151	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]OCC(F)F)c1ccccc1	ZINC000779095546	628388666	/nfs/dbraw/zinc/38/86/66/628388666.db2.gz	LLHHOPCODBBUKY-LBPRGKRZSA-N	-1	0	269.291	3.049	20	30		CGEDRM
Cc1cccnc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000781570956	628573350	/nfs/dbraw/zinc/57/33/50/628573350.db2.gz	FPNKXONDJGISBP-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNCCC(C)(C)C)CCC2	ZINC000782902633	628666492	/nfs/dbraw/zinc/66/64/92/628666492.db2.gz	FQOSKBZPBGZTNK-UHFFFAOYSA-N	-1	0	292.379	3.352	20	30		CGEDRM
C[C@H](C#N)Oc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1	ZINC000789147894	629108177	/nfs/dbraw/zinc/10/81/77/629108177.db2.gz	LKQSTEHEDYNVTA-ROLFPQFPSA-N	-1	0	294.310	3.241	20	30		CGEDRM
C[C@H](C#N)CN(Cc1c([O-])ccc(Cl)c1F)C1CC1	ZINC000792168357	629343871	/nfs/dbraw/zinc/34/38/71/629343871.db2.gz	FCMVSKWSDAGUMK-SECBINFHSA-N	-1	0	282.746	3.309	20	30		CGEDRM
CC[C@H](NN=C1CCC(C)(c2ccccc2)CC1)C(=O)[O-]	ZINC000793073874	629408201	/nfs/dbraw/zinc/40/82/01/629408201.db2.gz	XIPWHFGTOWWCHQ-MYJWUSKBSA-N	-1	0	288.391	3.327	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000793078769	629408475	/nfs/dbraw/zinc/40/84/75/629408475.db2.gz	OLNRCAKRPOEITH-CQSZACIVSA-N	-1	0	276.380	3.161	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000793164516	629420333	/nfs/dbraw/zinc/42/03/33/629420333.db2.gz	VWCGIKPQLLDYBB-VIFPVBQESA-N	-1	0	296.323	3.096	20	30		CGEDRM
O=c1[n-]c(N=NC=CCc2ccccc2)nc2ccccc21	ZINC000864009137	629725589	/nfs/dbraw/zinc/72/55/89/629725589.db2.gz	NBKULBGEILWPFP-WPFQCSIDSA-N	-1	0	290.326	3.447	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000864189327	629795044	/nfs/dbraw/zinc/79/50/44/629795044.db2.gz	NZKODMVYKGXHOQ-QWRGUYRKSA-N	-1	0	289.803	3.161	20	30		CGEDRM
CCC(F)(F)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000864346266	629815004	/nfs/dbraw/zinc/81/50/04/629815004.db2.gz	ROAMGSYZHZHMJK-PJQLUOCWSA-N	-1	0	292.669	3.418	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=COCCC2)s1	ZINC000797569224	629961650	/nfs/dbraw/zinc/96/16/50/629961650.db2.gz	OOIBZIWUETWWIY-LLVKDONJSA-N	-1	0	290.388	3.311	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)no1	ZINC000798232042	630038436	/nfs/dbraw/zinc/03/84/36/630038436.db2.gz	YSZYMYGYSWCCOL-AATRIKPKSA-N	-1	0	291.690	3.231	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1nc(CC)cs1	ZINC000799637569	630205753	/nfs/dbraw/zinc/20/57/53/630205753.db2.gz	ONIWBFGFTAJBMW-UHFFFAOYSA-N	-1	0	290.454	3.418	20	30		CGEDRM
O=C([O-])Cn1cc(C=NNc2ccccc2)c2ccccc21	ZINC000799866259	630235881	/nfs/dbraw/zinc/23/58/81/630235881.db2.gz	ZWLGHGSYVXWVLG-UHFFFAOYSA-N	-1	0	293.326	3.172	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])oc1C	ZINC000799896202	630240549	/nfs/dbraw/zinc/24/05/49/630240549.db2.gz	HFWYSUQMEFTNEA-UTCJRWHESA-N	-1	0	287.271	3.406	20	30		CGEDRM
COCC(C)(C)CCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000806551915	630565500	/nfs/dbraw/zinc/56/55/00/630565500.db2.gz	YWHHPPHGQZMLMA-MHWRWJLKSA-N	-1	0	294.351	3.172	20	30		CGEDRM
N#CCCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000812576212	631275443	/nfs/dbraw/zinc/27/54/43/631275443.db2.gz	XKTQOTCTUYWEJL-UHFFFAOYSA-N	-1	0	287.146	3.009	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2CC[C@@H]2C2CCC2)c1	ZINC000814687238	631622852	/nfs/dbraw/zinc/62/28/52/631622852.db2.gz	DBINGEYXKJYMIB-CYBMUJFWSA-N	-1	0	258.321	3.363	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814693275	631625461	/nfs/dbraw/zinc/62/54/61/631625461.db2.gz	GSOBIBNJXGAAEH-ZJUUUORDSA-N	-1	0	264.300	3.114	20	30		CGEDRM
C[C@H]1C(N=Nc2ccccn2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814731885	631631809	/nfs/dbraw/zinc/63/18/09/631631809.db2.gz	NEDXJIYGPXSIHU-QWRGUYRKSA-N	-1	0	275.352	3.006	20	30		CGEDRM
C[C@@H]1CC(=NNCCCc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814837974	631652853	/nfs/dbraw/zinc/65/28/53/631652853.db2.gz	TWNCPOSLYZLAKF-CJNGLKHVSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCCCc1ccccc1	ZINC000814837686	631652877	/nfs/dbraw/zinc/65/28/77/631652877.db2.gz	HDAWSIXBYJWDPG-UKRRQHHQSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@H]1CC(N=Nc2cc(Cl)ccn2)CC[C@@H]1C(=O)[O-]	ZINC000814897721	631669639	/nfs/dbraw/zinc/66/96/39/631669639.db2.gz	CLHQUGAVQCVRLY-KWQFWETISA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1C(=NNC2CCCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814910121	631677799	/nfs/dbraw/zinc/67/77/99/631677799.db2.gz	RALJHWIUWYNNPU-YPMHNXCESA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@@H]1CC(=NNCC2(C)CCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814937426	631691653	/nfs/dbraw/zinc/69/16/53/631691653.db2.gz	GDWYRTODPAWBJP-YPMHNXCESA-N	-1	0	266.385	3.033	20	30		CGEDRM
CC[C@@H](C)CON=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814939430	631692606	/nfs/dbraw/zinc/69/26/06/631692606.db2.gz	QLGFEXHPXLTKMM-SECBINFHSA-N	-1	0	269.728	3.435	20	30		CGEDRM
C[C@H]1CC(N=Nc2cccc(Cl)n2)CC[C@@H]1C(=O)[O-]	ZINC000814939639	631693726	/nfs/dbraw/zinc/69/37/26/631693726.db2.gz	XRYOPCQGITUASF-WPRPVWTQSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC[C@H](N[C@H](C)c1cccc(C#N)c1[O-])C(F)(F)F	ZINC000866346592	633092104	/nfs/dbraw/zinc/09/21/04/633092104.db2.gz	HNFIBERJPVKGMW-KCJUWKMLSA-N	-1	0	272.270	3.255	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1CN=Nc1cccc(-c2nn[nH]n2)c1	ZINC000824939916	633307898	/nfs/dbraw/zinc/30/78/98/633307898.db2.gz	XZVTZGRZTXSBNP-WCQYABFASA-N	-1	0	284.367	3.091	20	30		CGEDRM
CC(C)CC(C)(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691338	633627530	/nfs/dbraw/zinc/62/75/30/633627530.db2.gz	IPRFQXSDGUJCDI-UHFFFAOYSA-N	-1	0	260.337	3.041	20	30		CGEDRM
Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692220	633628180	/nfs/dbraw/zinc/62/81/80/633628180.db2.gz	YRUPTWMGQDOGCB-UONOGXRCSA-N	-1	0	298.367	3.142	20	30		CGEDRM
CC(C)CCc1cc(=O)n(Cc2ccc(C#N)cc2)[n-]1	ZINC000871954957	633925780	/nfs/dbraw/zinc/92/57/80/633925780.db2.gz	GCLIKMNETJTMAB-UHFFFAOYSA-N	-1	0	269.348	3.083	20	30		CGEDRM
FC(F)(F)c1csc(=NNC=C2CC2(F)F)[n-]1	ZINC000834965338	634296013	/nfs/dbraw/zinc/29/60/13/634296013.db2.gz	ZGYVQLCXSYBVOQ-SCSAIBSYSA-N	-1	0	271.214	3.215	20	30		CGEDRM
C[C@H]1CCCC[C@H]1CN=Nc1ccc(C(=O)[O-])nc1	ZINC000835006966	634311687	/nfs/dbraw/zinc/31/16/87/634311687.db2.gz	MXKHHDIBNOTRBI-QWRGUYRKSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CSCC1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1	ZINC000835009711	634314263	/nfs/dbraw/zinc/31/42/63/634314263.db2.gz	BIJPAKBVBJNKDF-UHFFFAOYSA-N	-1	0	293.392	3.101	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCCC3)cn1	ZINC000835010207	634314703	/nfs/dbraw/zinc/31/47/03/634314703.db2.gz	SQDLEKKFMWDUKM-UHFFFAOYSA-N	-1	0	273.336	3.292	20	30		CGEDRM
CC[C@@H]1C[C@@H](CN=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835011231	634314954	/nfs/dbraw/zinc/31/49/54/634314954.db2.gz	DAECCQZZBFEZLP-CMPLNLGQSA-N	-1	0	294.326	3.127	20	30		CGEDRM
O=C([O-])c1ccc(N=NCCC2CCCCC2)cn1	ZINC000835010344	634315359	/nfs/dbraw/zinc/31/53/59/634315359.db2.gz	YAZDYGBGHFPVJG-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)C1CCSCC1	ZINC000835012869	634316718	/nfs/dbraw/zinc/31/67/18/634316718.db2.gz	YKWDGLOJDCBLFB-UHFFFAOYSA-N	-1	0	296.367	3.455	20	30		CGEDRM
C=CCC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCC1	ZINC000837664777	634961303	/nfs/dbraw/zinc/96/13/03/634961303.db2.gz	FPLHIQDDPPNAHH-UHFFFAOYSA-N	-1	0	291.303	3.090	20	30		CGEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000843998378	635804936	/nfs/dbraw/zinc/80/49/36/635804936.db2.gz	BICVMBHJJNFNNH-SNVBAGLBSA-N	-1	0	295.741	3.060	20	30		CGEDRM
CO[C@H]1CCCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623973	635945499	/nfs/dbraw/zinc/94/54/99/635945499.db2.gz	OXPSVPNAETTWHM-AWEZNQCLSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C=C[C@H](C)ONC(=O)CC[C@H]1CCc2ccccc21	ZINC000880548761	636018689	/nfs/dbraw/zinc/01/86/89/636018689.db2.gz	BTZBCIMPIXDQQS-GXTWGEPZSA-N	-1	0	259.349	3.119	20	30		CGEDRM
C[C@@H]1C[C@@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845839347	636105450	/nfs/dbraw/zinc/10/54/50/636105450.db2.gz	HUNOXPWRSJERSC-ADEWGFFLSA-N	-1	0	287.384	3.174	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845837829	636105678	/nfs/dbraw/zinc/10/56/78/636105678.db2.gz	POCVXCNTQMJSPK-QNDISFKXSA-N	-1	0	287.384	3.485	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1cccc(Cl)c1F	ZINC000846535263	636194366	/nfs/dbraw/zinc/19/43/66/636194366.db2.gz	VSPVJPPNHWDLCG-UHFFFAOYSA-N	-1	0	285.746	3.381	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](OC1CCCC1)c1ccccc1	ZINC000846538602	636195252	/nfs/dbraw/zinc/19/52/52/636195252.db2.gz	KHKQNTOHQZOHSV-INIZCTEOSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(C(C)C)c(C)c1	ZINC000846541634	636196096	/nfs/dbraw/zinc/19/60/96/636196096.db2.gz	JRKZUXUUOBZGOL-ZDUSSCGKSA-N	-1	0	277.364	3.120	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](Sc1ccccc1)C(C)C	ZINC000846547412	636199348	/nfs/dbraw/zinc/19/93/48/636199348.db2.gz	ACIBZCYMEVWNPW-TZMCWYRMSA-N	-1	0	279.405	3.426	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1cccc(C(C)C)c1	ZINC000846551002	636200241	/nfs/dbraw/zinc/20/02/41/636200241.db2.gz	RZGRYIJDKUEZQJ-OLZOCXBDSA-N	-1	0	277.364	3.200	20	30		CGEDRM
C=CCCC(CC)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414654	636570453	/nfs/dbraw/zinc/57/04/53/636570453.db2.gz	AYOMQGDPRNFKOQ-UHFFFAOYSA-N	-1	0	260.337	3.458	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CS1	ZINC000848412531	636570621	/nfs/dbraw/zinc/57/06/21/636570621.db2.gz	UEQVZUPBGCMSSU-MRVPVSSYSA-N	-1	0	282.340	3.207	20	30		CGEDRM
N#Cc1ccc(N[C@H]2CCC[C@H]2C(=O)[O-])cc1C(F)(F)F	ZINC000085329379	636771325	/nfs/dbraw/zinc/77/13/25/636771325.db2.gz	GLXBJVNSTJVDHZ-PWSUYJOCSA-N	-1	0	298.264	3.242	20	30		CGEDRM
CC(C)(C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1	ZINC000086054738	636780122	/nfs/dbraw/zinc/78/01/22/636780122.db2.gz	GQLDWJHTNIGCLX-UHFFFAOYSA-N	-1	0	295.404	3.193	20	30		CGEDRM
CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055284	636781415	/nfs/dbraw/zinc/78/14/15/636781415.db2.gz	NAWPFFDZEHDORM-SNVBAGLBSA-N	-1	0	261.387	3.042	20	30		CGEDRM
N#C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1	ZINC000109290421	637038187	/nfs/dbraw/zinc/03/81/87/637038187.db2.gz	GSOWKNXADAGCCT-MRVPVSSYSA-N	-1	0	297.063	3.237	20	30		CGEDRM
CCCCCCCC(=O)NC1(CC(=O)[O-])CCCC1	ZINC000113497495	638224668	/nfs/dbraw/zinc/22/46/68/638224668.db2.gz	DUBOEDRCNCMHOA-UHFFFAOYSA-N	-1	0	269.385	3.251	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	ZINC000856030934	638287308	/nfs/dbraw/zinc/28/73/08/638287308.db2.gz	XLECTTUZBOAAGI-NSHDSACASA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1cccc(C(C)C)c1	ZINC000856030652	638287439	/nfs/dbraw/zinc/28/74/39/638287439.db2.gz	LCXZHJXCGBZOBD-CYBMUJFWSA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](Sc1ccccc1)C(C)C	ZINC000856031137	638287443	/nfs/dbraw/zinc/28/74/43/638287443.db2.gz	DZFYNRVOUFQISD-CQSZACIVSA-N	-1	0	279.405	3.427	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](c1ccccc1)[C@H](C)CC	ZINC000856032942	638288353	/nfs/dbraw/zinc/28/83/53/638288353.db2.gz	XUZYOOQYDVZHHP-HIFRSBDPSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Cl)c1[O-]	ZINC000856199068	638319066	/nfs/dbraw/zinc/31/90/66/638319066.db2.gz	JXRXPUGQRMDITM-PHIMTYICSA-N	-1	0	277.751	3.369	20	30		CGEDRM
N#CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000931174675	639121723	/nfs/dbraw/zinc/12/17/23/639121723.db2.gz	XFEYEZALWFHIGD-UHFFFAOYSA-N	-1	0	299.157	3.075	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NO[C@H]2CCCCO2)c1	ZINC000934883455	639698589	/nfs/dbraw/zinc/69/85/89/639698589.db2.gz	PUEFSRLYKYLCPH-AWEZNQCLSA-N	-1	0	276.336	3.299	20	30		CGEDRM
CCOc1ccccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000156622791	639980777	/nfs/dbraw/zinc/98/07/77/639980777.db2.gz	SLYHSIORJYMVSR-JXMROGBWSA-N	-1	0	284.311	3.393	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1	ZINC000158289375	640000250	/nfs/dbraw/zinc/00/02/50/640000250.db2.gz	DVPVUQRIQUGLAO-GQCTYLIASA-N	-1	0	296.278	3.010	20	30		CGEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407555	640053153	/nfs/dbraw/zinc/05/31/53/640053153.db2.gz	LXUPEAYYPLKCJI-QMTHXVAHSA-N	-1	0	289.356	3.141	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c(F)c1	ZINC000075039975	640115535	/nfs/dbraw/zinc/11/55/35/640115535.db2.gz	LKVIHDVJHHVUFQ-LLVKDONJSA-N	-1	0	297.351	3.136	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2ccccc2[O-])c(C(C)(C)C)n1	ZINC000093902055	640785578	/nfs/dbraw/zinc/78/55/78/640785578.db2.gz	BJGKJFOXTSAALT-MDZDMXLPSA-N	-1	0	284.359	3.319	20	30		CGEDRM
O=C(/C=C/c1cncs1)c1ccc([O-])c(Cl)c1	ZINC000119273583	641039684	/nfs/dbraw/zinc/03/96/84/641039684.db2.gz	XQUZHKSYLSZGFY-DUXPYHPUSA-N	-1	0	265.721	3.398	20	30		CGEDRM
Cc1cc(Nc2ccsc2C#N)ccc1C(=O)[O-]	ZINC001211650128	814925375	/nfs/dbraw/zinc/92/53/75/814925375.db2.gz	QCQRXKUZGVXRGV-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
CCn1c2ccccc2nc1-c1cc(C#N)ccc1[O-]	ZINC001251180126	805860266	/nfs/dbraw/zinc/86/02/66/805860266.db2.gz	CSNAMEOGAMKMIR-UHFFFAOYSA-N	-1	0	263.300	3.300	20	30		CGEDRM
Cc1ccc(C#N)c([N-]S(=O)(=O)/C=C/c2ccccc2)c1	ZINC001252947870	806139900	/nfs/dbraw/zinc/13/99/00/806139900.db2.gz	PDOVIHSZTRULRU-MDZDMXLPSA-N	-1	0	298.367	3.279	20	30		CGEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253188847	806181599	/nfs/dbraw/zinc/18/15/99/806181599.db2.gz	JYALOTDVAXEYJO-UHFFFAOYSA-N	-1	0	279.283	3.024	20	30		CGEDRM
N#Cc1ccc(-c2nnc(-c3cccc(F)c3)o2)c([O-])c1	ZINC001254213144	806365699	/nfs/dbraw/zinc/36/56/99/806365699.db2.gz	TXCICABPVYOVAM-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
O=C([O-])COc1cccc(C(=O)/C=C\c2ccsc2)c1	ZINC000213723594	799134330	/nfs/dbraw/zinc/13/43/30/799134330.db2.gz	WZMZJPYMOKRDKF-PLNGDYQASA-N	-1	0	288.324	3.108	20	30		CGEDRM
CCCCCCCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000398929234	799533448	/nfs/dbraw/zinc/53/34/48/799533448.db2.gz	OAJWVTZWUATJBJ-ZIAGYGMSSA-N	-1	0	298.427	3.099	20	30		CGEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480279	799699888	/nfs/dbraw/zinc/69/98/88/799699888.db2.gz	NEWKPPFAQLLTCV-WAYWQWQTSA-N	-1	0	290.750	3.238	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000717881685	800207086	/nfs/dbraw/zinc/20/70/86/800207086.db2.gz	GLZPBBQVJFCSHM-UHFFFAOYSA-N	-1	0	275.348	3.168	20	30		CGEDRM
C[C@@H]1Oc2ccccc2[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000809143392	800411910	/nfs/dbraw/zinc/41/19/10/800411910.db2.gz	QDEYTDWZXXUELG-PSVXHJADSA-N	-1	0	298.298	3.242	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccccc2F)ccc1O	ZINC000809152170	800412855	/nfs/dbraw/zinc/41/28/55/800412855.db2.gz	NWXMICCXVJNFRJ-ALCCZGGFSA-N	-1	0	286.258	3.126	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc(C)c2)s1	ZINC001256864695	806993413	/nfs/dbraw/zinc/99/34/13/806993413.db2.gz	QRFZAWBJTDLHJY-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CC(=NNCc1ccc(F)cc1)c1csc(C(=O)[O-])c1	ZINC001117741779	802483447	/nfs/dbraw/zinc/48/34/47/802483447.db2.gz	DQALEANYUIZRLA-UHFFFAOYSA-N	-1	0	292.335	3.099	20	30		CGEDRM
C=CCCC1(CNC(=O)c2ccc(C(=O)[O-])o2)CCCC1	ZINC001118483581	802575767	/nfs/dbraw/zinc/57/57/67/802575767.db2.gz	SXJGSRIKWKUABJ-UHFFFAOYSA-N	-1	0	291.347	3.234	20	30		CGEDRM
CC(C)CO[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC001119309975	802647641	/nfs/dbraw/zinc/64/76/41/802647641.db2.gz	AWPCRQCWQBTGBE-UHFFFAOYSA-N	-1	0	286.375	3.074	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1c(-c2ccccc2)[n-][nH]c1=O	ZINC001123892115	802978646	/nfs/dbraw/zinc/97/86/46/802978646.db2.gz	STXOMZNXMDQCJV-UHFFFAOYSA-N	-1	0	285.347	3.323	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(CCC(=O)[O-])cc3)cnc12	ZINC001244192142	803236212	/nfs/dbraw/zinc/23/62/12/803236212.db2.gz	YKGDSIVVPJBSOC-UHFFFAOYSA-N	-1	0	291.310	3.119	20	30		CGEDRM
COc1nc(-c2cc(F)c([O-])c(Cl)c2)c(F)cc1C#N	ZINC001244499175	803405304	/nfs/dbraw/zinc/40/53/04/803405304.db2.gz	IWXIZZLZPQUNQF-UHFFFAOYSA-N	-1	0	296.660	3.266	20	30		CGEDRM
C=CCOc1ccc(-c2cc(C)c(F)c([O-])c2)nc1C#N	ZINC001244506631	803410060	/nfs/dbraw/zinc/41/00/60/803410060.db2.gz	HXQDBEWGCZNSFH-UHFFFAOYSA-N	-1	0	284.290	3.338	20	30		CGEDRM
CCc1nc(C#N)cc(-c2c(Cl)ccc([O-])c2F)n1	ZINC001244539808	803427730	/nfs/dbraw/zinc/42/77/30/803427730.db2.gz	JBGQPVXGZYWHGV-UHFFFAOYSA-N	-1	0	277.686	3.076	20	30		CGEDRM
Cc1cc(-c2ccc3[nH]c(C#N)cc3n2)cc(C)c1C(=O)[O-]	ZINC001244945125	803586052	/nfs/dbraw/zinc/58/60/52/803586052.db2.gz	QJWIUNLYPHMODQ-UHFFFAOYSA-N	-1	0	291.310	3.417	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)nn1	ZINC001244998261	803608836	/nfs/dbraw/zinc/60/88/36/803608836.db2.gz	AATNCGBRBGGOFW-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1cnnc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC001245001511	803609006	/nfs/dbraw/zinc/60/90/06/803609006.db2.gz	OFUXOYSNOFAWDG-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
COc1nc(-c2cc(Cl)ccc2[O-])c(F)cc1C#N	ZINC001245049158	803621928	/nfs/dbraw/zinc/62/19/28/803621928.db2.gz	QTMFIWRJYIVISG-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
C#CCSCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC001137572963	803741001	/nfs/dbraw/zinc/74/10/01/803741001.db2.gz	QXDOYVYYGXPRMA-UHFFFAOYSA-N	-1	0	290.171	3.004	20	30		CGEDRM
N#Cc1c(F)cccc1-c1cc([O-])c(F)c(F)c1F	ZINC001245635813	803870182	/nfs/dbraw/zinc/87/01/82/803870182.db2.gz	ONAZQZFECLBPQQ-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
C=CCn1[n-]c(-c2ccccc2C(F)(F)F)cc1=O	ZINC001245911910	804039800	/nfs/dbraw/zinc/03/98/00/804039800.db2.gz	FRFXKMWAMLZFCH-UHFFFAOYSA-N	-1	0	268.238	3.461	20	30		CGEDRM
COc1ccc(-c2cc(=O)n(-c3ccc(C#N)cc3)[n-]2)cc1	ZINC001245919242	804047097	/nfs/dbraw/zinc/04/70/97/804047097.db2.gz	BOCDUUQEAOVDPH-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
COc1ccc(-c2cc(=O)n(-c3cccc(C#N)c3)[n-]2)cc1	ZINC001245920540	804049121	/nfs/dbraw/zinc/04/91/21/804049121.db2.gz	VIQWWEWZBDEBRN-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(Cc3ccccc3)cc2=O)c1	ZINC001245925920	804055366	/nfs/dbraw/zinc/05/53/66/804055366.db2.gz	VRCZGGSFVMOPJG-UHFFFAOYSA-N	-1	0	275.311	3.040	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccc(Cl)nc3)[n-]2)cc1	ZINC001245933971	804065955	/nfs/dbraw/zinc/06/59/55/804065955.db2.gz	WIPYOYUHJXJYSY-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
COc1cccc(-n2[n-]c(-c3cccc(C#N)c3)cc2=O)c1	ZINC001245937939	804069531	/nfs/dbraw/zinc/06/95/31/804069531.db2.gz	YNQNBUJPKVIKMK-UHFFFAOYSA-N	-1	0	291.310	3.125	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3ccc(F)c(F)c3)cc2=O)c1	ZINC001245945073	804079151	/nfs/dbraw/zinc/07/91/51/804079151.db2.gz	GUVQQMJRKCJZOU-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2nc(-c3ccccc3)cs2)[n-]1	ZINC001245951343	804084936	/nfs/dbraw/zinc/08/49/36/804084936.db2.gz	DNIAEVCIJMHBLI-UHFFFAOYSA-N	-1	0	295.367	3.267	20	30		CGEDRM
CC1(C#N)CN(Cc2cc(Cl)c([O-])c(Cl)c2)C1	ZINC001140830235	804531187	/nfs/dbraw/zinc/53/11/87/804531187.db2.gz	UGPLYFVMNYSXRS-UHFFFAOYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)cs1	ZINC001212512212	815044220	/nfs/dbraw/zinc/04/42/20/815044220.db2.gz	AZPZENMLZLPFQY-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cc([O-])c(F)c(F)c2F)c1	ZINC001249965633	805332317	/nfs/dbraw/zinc/33/23/17/805332317.db2.gz	DMLCYHTZMXAYBX-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
O=C(C=CNc1cc(F)ccc1[S-])C(F)(F)F	ZINC001169480496	807649766	/nfs/dbraw/zinc/64/97/66/807649766.db2.gz	LKCCXSNHYQOOLI-ONEGZZNKSA-N	-1	0	265.231	3.171	20	30		CGEDRM
N#Cc1c(Cl)cccc1[N-]S(=O)(=O)C1CCCCC1	ZINC001259814901	807689789	/nfs/dbraw/zinc/68/97/89/807689789.db2.gz	ANYIKVRZSHVAMZ-UHFFFAOYSA-N	-1	0	298.795	3.286	20	30		CGEDRM
N#Cc1cc(NC=Cc2ccccc2)c([O-])cc1F	ZINC001173873974	808730190	/nfs/dbraw/zinc/73/01/90/808730190.db2.gz	PRAHNFILSUJJBW-VOTSOKGWSA-N	-1	0	254.264	3.486	20	30		CGEDRM
COc1ccc(Nc2scc([O-])c2C#N)c(OC)c1	ZINC001173890815	808745073	/nfs/dbraw/zinc/74/50/73/808745073.db2.gz	UUYNAPQBVAKXSD-UHFFFAOYSA-N	-1	0	276.317	3.086	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(O)c1	ZINC001174499683	809047441	/nfs/dbraw/zinc/04/74/41/809047441.db2.gz	KDCASGKNZBXSND-FNORWQNLSA-N	-1	0	280.283	3.105	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(CC#N)cc1	ZINC001174677229	809127238	/nfs/dbraw/zinc/12/72/38/809127238.db2.gz	LXUOCPOUYSBWNG-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cc(C)cc(C#N)c1	ZINC001174679885	809128756	/nfs/dbraw/zinc/12/87/56/809128756.db2.gz	JLOYCMIVDRVHKV-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])s2)s1	ZINC001174808937	809168409	/nfs/dbraw/zinc/16/84/09/809168409.db2.gz	ZSHYSQCYPZXPHQ-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc(C(=O)[O-])s1	ZINC001174810026	809169311	/nfs/dbraw/zinc/16/93/11/809169311.db2.gz	ATWLKKPEELTLHB-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(Cl)nc1C#N	ZINC001174981283	809223954	/nfs/dbraw/zinc/22/39/54/809223954.db2.gz	JGWSUGCUGAMLPT-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(O)c(F)c1	ZINC001213375102	815271854	/nfs/dbraw/zinc/27/18/54/815271854.db2.gz	PPLGTCTXXZXTNP-UHFFFAOYSA-N	-1	0	268.244	3.053	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175157398	809291209	/nfs/dbraw/zinc/29/12/09/809291209.db2.gz	RBSLVABOEAIJBB-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175220823	809313342	/nfs/dbraw/zinc/31/33/42/809313342.db2.gz	BUUCTYQZNDGBGK-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175223303	809314789	/nfs/dbraw/zinc/31/47/89/809314789.db2.gz	LZHSLVRPLBBMIB-UHFFFAOYSA-N	-1	0	285.278	3.181	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)cc(F)c1F	ZINC001175223224	809315090	/nfs/dbraw/zinc/31/50/90/809315090.db2.gz	HNUPEMBFSXKOQB-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1cc(Nc2ccc(N3CCCC3)nc2)c([O-])cc1F	ZINC001175349255	809371446	/nfs/dbraw/zinc/37/14/46/809371446.db2.gz	NBIIXHGUTXFJGL-UHFFFAOYSA-N	-1	0	298.321	3.142	20	30		CGEDRM
C=C[C@H](C(=O)[N-]OC1CCCCC1)c1ccccc1	ZINC001296791000	809508529	/nfs/dbraw/zinc/50/85/29/809508529.db2.gz	NWINSTPGCULXRI-HNNXBMFYSA-N	-1	0	259.349	3.337	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cncc(C(=O)[O-])c2)cc1Cl	ZINC001175843799	809555084	/nfs/dbraw/zinc/55/50/84/809555084.db2.gz	ZZEIVVQEAWULCB-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COc1cc(Nc2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001213590812	815307369	/nfs/dbraw/zinc/30/73/69/815307369.db2.gz	JHRLSCKAFDYTIX-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1csc(C(=O)[O-])c1	ZINC001176438786	809697306	/nfs/dbraw/zinc/69/73/06/809697306.db2.gz	AQMCGURSPQTJRC-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176593771	809726269	/nfs/dbraw/zinc/72/62/69/809726269.db2.gz	IGEUCPVTSDZVFA-QPJJXVBHSA-N	-1	0	279.299	3.103	20	30		CGEDRM
COc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001176595246	809726284	/nfs/dbraw/zinc/72/62/84/809726284.db2.gz	GUACGOIQQISXIU-JXMROGBWSA-N	-1	0	294.310	3.408	20	30		CGEDRM
Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)cnc1C#N	ZINC001213625813	815312327	/nfs/dbraw/zinc/31/23/27/815312327.db2.gz	UMIMBNVMKYSIHB-UHFFFAOYSA-N	-1	0	281.315	3.023	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213627275	815313815	/nfs/dbraw/zinc/31/38/15/815313815.db2.gz	BYZIDIOXYRLIBP-UHFFFAOYSA-N	-1	0	281.315	3.023	20	30		CGEDRM
Cc1cccc(CC(=O)Nc2cc(C#N)c(F)cc2[O-])c1C	ZINC001183257450	810143128	/nfs/dbraw/zinc/14/31/28/810143128.db2.gz	HJKDPMZSBGUAFS-UHFFFAOYSA-N	-1	0	298.317	3.201	20	30		CGEDRM
CN(C(=O)CCC(=O)C1=CC=C[CH]1)[C@H]1CCc2ccccc21	ZINC001184245661	810185057	/nfs/dbraw/zinc/18/50/57/810185057.db2.gz	WLXHABDYXOUXGE-KRWDZBQOSA-N	-1	0	294.374	3.182	20	30		CGEDRM
CC(=O)c1cccc(NC(=O)CCC(=O)C2=CC=C[CH]2)c1C	ZINC001184244820	810185364	/nfs/dbraw/zinc/18/53/64/810185364.db2.gz	WABSYNVTCHLPHN-UHFFFAOYSA-N	-1	0	296.346	3.186	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc(C(F)F)cn1	ZINC001184241212	810185486	/nfs/dbraw/zinc/18/54/86/810185486.db2.gz	OALKTVBQPFLIAO-UHFFFAOYSA-N	-1	0	291.277	3.007	20	30		CGEDRM
Cc1ccc(NC(=O)Nc2ccc(C#N)cc2O)cc1F	ZINC001187989146	810438187	/nfs/dbraw/zinc/43/81/87/810438187.db2.gz	AWJWPNDWDMECIV-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
CSc1ccc(NC(=O)Nc2oc(C)nc2C#N)cc1	ZINC001188079769	810451067	/nfs/dbraw/zinc/45/10/67/810451067.db2.gz	JFZVWLZDNSYWRY-UHFFFAOYSA-N	-1	0	288.332	3.221	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2csc3cnccc23)ccc1[O-]	ZINC001193499766	810898375	/nfs/dbraw/zinc/89/83/75/810898375.db2.gz	VHQXZFNYBZZNMN-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2ccc3ccncc3c2)c1[O-]	ZINC001193652356	810929406	/nfs/dbraw/zinc/92/94/06/810929406.db2.gz	FSIVTDGLJPBYSD-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CCC(CC)COC(=O)N=c1s[n-]c(C)c1C#N	ZINC001194677579	811104400	/nfs/dbraw/zinc/10/44/00/811104400.db2.gz	INIWUTFKUFVEDQ-UHFFFAOYSA-N	-1	0	267.354	3.308	20	30		CGEDRM
Cc1oc(Nc2ccc(F)c(C(=O)[O-])c2F)c(C#N)c1C	ZINC001215270432	815501525	/nfs/dbraw/zinc/50/15/25/815501525.db2.gz	UZOLZBMHWDFZKZ-UHFFFAOYSA-N	-1	0	292.241	3.488	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203286140	812292898	/nfs/dbraw/zinc/29/28/98/812292898.db2.gz	JADOGOZYYRGQEA-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
C#Cc1cccc(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203292942	812295621	/nfs/dbraw/zinc/29/56/21/812295621.db2.gz	OETRLEHAOAFVLU-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203293016	812296053	/nfs/dbraw/zinc/29/60/53/812296053.db2.gz	AOWWTDPXUXBDRS-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1ccsc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215457749	815520641	/nfs/dbraw/zinc/52/06/41/815520641.db2.gz	LSIMYCIOTVLBCC-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1F	ZINC001215465825	815521857	/nfs/dbraw/zinc/52/18/57/815521857.db2.gz	ATNFSZZETUEQRT-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccsc1C(=O)[O-]	ZINC001205371790	812974744	/nfs/dbraw/zinc/97/47/44/812974744.db2.gz	XQIOIVPBZZKCCZ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccsc2C(=O)[O-])c1	ZINC001205605739	813021793	/nfs/dbraw/zinc/02/17/93/813021793.db2.gz	QOMWYSBWJNCGQF-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1cc(-c2noc(-c3ccc([O-])c(F)c3)n2)ccc1C#N	ZINC001215792541	815593712	/nfs/dbraw/zinc/59/37/12/815593712.db2.gz	VHYNXHJECRXRSD-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#CCc1cccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206031976	813172259	/nfs/dbraw/zinc/17/22/59/813172259.db2.gz	VNHBCHCVVSLCIQ-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cnc(-c2csc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC001206250749	813255933	/nfs/dbraw/zinc/25/59/33/813255933.db2.gz	UTMSENNRDKBFGZ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209889534	814189897	/nfs/dbraw/zinc/18/98/97/814189897.db2.gz	OSXBSWMYQVNVKT-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(Nc2cc(C(=O)[O-])cc(F)c2C)cnc1C#N	ZINC001210007095	814239429	/nfs/dbraw/zinc/23/94/29/814239429.db2.gz	LHMXLWBOHUCKGU-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cc(C(=O)[O-])cc(F)c2C)c1	ZINC001210007276	814239965	/nfs/dbraw/zinc/23/99/65/814239965.db2.gz	PYZVOQCTDGTZHV-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
Cc1csc(Nc2cccc(CC(=O)[O-])c2)c1C#N	ZINC001210069591	814271412	/nfs/dbraw/zinc/27/14/12/814271412.db2.gz	NNLPABUXZONESD-UHFFFAOYSA-N	-1	0	272.329	3.299	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1cccc(CC(=O)[O-])c1	ZINC001210076574	814276535	/nfs/dbraw/zinc/27/65/35/814276535.db2.gz	GQPZTJQEQHLZAB-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])nc1	ZINC001210177671	814322443	/nfs/dbraw/zinc/32/24/43/814322443.db2.gz	ITAHXJACJJKUOP-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210242278	814361447	/nfs/dbraw/zinc/36/14/47/814361447.db2.gz	FFFXQVPRUPEKRJ-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210246794	814364368	/nfs/dbraw/zinc/36/43/68/814364368.db2.gz	YJICGKIDAYXDLS-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC001210395537	814442307	/nfs/dbraw/zinc/44/23/07/814442307.db2.gz	ZELVXXRGLMEMFT-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
C#Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC001210397509	814444469	/nfs/dbraw/zinc/44/44/69/814444469.db2.gz	DDINCHJWFLLMQB-UHFFFAOYSA-N	-1	0	254.245	3.025	20	30		CGEDRM
Cc1ccc(Nc2scc([O-])c2C#N)c(C#N)c1	ZINC001210566270	814531253	/nfs/dbraw/zinc/53/12/53/814531253.db2.gz	WQIALBDZESMIOU-UHFFFAOYSA-N	-1	0	255.302	3.249	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1cccc([S-])c1	ZINC001210945169	814684768	/nfs/dbraw/zinc/68/47/68/814684768.db2.gz	JPMOEYAETXLEHY-UHFFFAOYSA-N	-1	0	258.350	3.368	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccccc1C(=O)[O-]	ZINC001210965233	814693268	/nfs/dbraw/zinc/69/32/68/814693268.db2.gz	ISGJEJNADOVUIN-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccccc2C(=O)[O-])cc1F	ZINC001210969078	814696286	/nfs/dbraw/zinc/69/62/86/814696286.db2.gz	OHZCINRMTUMMEM-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1c(Nc2ccc(C)cc2C#N)cccc1C(=O)[O-]	ZINC001211037562	814715214	/nfs/dbraw/zinc/71/52/14/814715214.db2.gz	WHHGEWKNVJVYQB-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(F)c([O-])cc1F	ZINC001211352476	814884424	/nfs/dbraw/zinc/88/44/24/814884424.db2.gz	MZRJXGAVEMUOAC-UHFFFAOYSA-N	-1	0	271.226	3.037	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(C#N)ccc1O	ZINC001211624610	814920742	/nfs/dbraw/zinc/92/07/42/814920742.db2.gz	NHAASQFRUMSVBU-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(Cl)cc(CO)c1	ZINC001216435048	815829177	/nfs/dbraw/zinc/82/91/77/815829177.db2.gz	UEYXOTHIBVJWSZ-UHFFFAOYSA-N	-1	0	280.736	3.215	20	30		CGEDRM
COc1nc(-c2cccc([S-])c2)c(F)cc1C#N	ZINC001242865208	823157811	/nfs/dbraw/zinc/15/78/11/823157811.db2.gz	YCXZWNMHSOIZIA-UHFFFAOYSA-N	-1	0	260.293	3.057	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3ccc(F)cc3F)no2)ccc1[O-]	ZINC001216967974	815904214	/nfs/dbraw/zinc/90/42/14/815904214.db2.gz	OTUFTIKBDHNUEK-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3cc(F)cc(F)c3)no2)c1[O-]	ZINC001216980228	815905411	/nfs/dbraw/zinc/90/54/11/815905411.db2.gz	WGKRWXHIORWBGV-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
Cc1cc(F)cc(-c2ccccc2C(=O)[O-])c1C#N	ZINC001242877711	823161367	/nfs/dbraw/zinc/16/13/67/823161367.db2.gz	KRWMTYHYKWLCEL-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
O=C([O-])c1ccccc1-c1ccc2c(c1)CC/C2=N/O	ZINC001242880818	823163405	/nfs/dbraw/zinc/16/34/05/823163405.db2.gz	OIRULZPGFOFUQV-ICFOKQHNSA-N	-1	0	267.284	3.176	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)cc1	ZINC001242921191	823172715	/nfs/dbraw/zinc/17/27/15/823172715.db2.gz	ZDHIHNHINNZHHD-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
C=C[C@@H](CCCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225019185	816935004	/nfs/dbraw/zinc/93/50/04/816935004.db2.gz	UJZWNYLOWKEDLA-ZDUSSCGKSA-N	-1	0	278.329	3.486	20	30		CGEDRM
C=CC[C@@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)C(C)C	ZINC001225978148	817236505	/nfs/dbraw/zinc/23/65/05/817236505.db2.gz	OJLLNJIEJJKJOQ-MRVPVSSYSA-N	-1	0	276.258	3.181	20	30		CGEDRM
CCC(CC)[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008581	817246972	/nfs/dbraw/zinc/24/69/72/817246972.db2.gz	JNEPBQADHOMOBX-LBPRGKRZSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CC(C)CCC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226007950	817247442	/nfs/dbraw/zinc/24/74/42/817247442.db2.gz	BSSJLULSAGQHJD-JTQLQIEISA-N	-1	0	266.316	3.392	20	30		CGEDRM
C[C@H]1CCC[C@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226063833	817262410	/nfs/dbraw/zinc/26/24/10/817262410.db2.gz	LGYNVMRARLRVAL-OIBJUYFYSA-N	-1	0	286.253	3.245	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2c(F)cccc2F)c1C#N	ZINC001226222030	817302140	/nfs/dbraw/zinc/30/21/40/817302140.db2.gz	SOFZCYGGXRJBOB-VIFPVBQESA-N	-1	0	290.269	3.386	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccccc2C)c1C#N	ZINC001226221262	817302676	/nfs/dbraw/zinc/30/26/76/817302676.db2.gz	KHRUKVSLGXLXNL-GFCCVEGCSA-N	-1	0	268.316	3.416	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)ncc2C(C)=O)C1	ZINC001226239114	817307755	/nfs/dbraw/zinc/30/77/55/817307755.db2.gz	GDFFPHAQSAXEDT-OCCSQVGLSA-N	-1	0	288.347	3.065	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226406939	817349569	/nfs/dbraw/zinc/34/95/69/817349569.db2.gz	HVVYADMNIFJJPE-MRVPVSSYSA-N	-1	0	296.367	3.340	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226423077	817353317	/nfs/dbraw/zinc/35/33/17/817353317.db2.gz	DMXFUMPUBJRDQU-SNVBAGLBSA-N	-1	0	254.305	3.143	20	30		CGEDRM
CC(=O)c1ccc(O)c(O[C@H](CC#N)c2ccccc2)c1O	ZINC001226482456	817372434	/nfs/dbraw/zinc/37/24/34/817372434.db2.gz	NWIYRUXIXNOBCY-OAHLLOKOSA-N	-1	0	297.310	3.334	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](Oc2ccnc(=S)[nH]2)C(C)(C)O1	ZINC001226941018	817511095	/nfs/dbraw/zinc/51/10/95/817511095.db2.gz	WRINZDREEXHYBM-HZMBPMFUSA-N	-1	0	280.393	3.046	20	30		CGEDRM
CC(=O)c1cc(C#N)ccc1O[C@@H](C)C1=CC=C[CH]1	ZINC001226975674	817522906	/nfs/dbraw/zinc/52/29/06/817522906.db2.gz	QRIIJRIXYGGODW-LBPRGKRZSA-N	-1	0	252.293	3.229	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)nc2cnccc21	ZINC001226976409	817523063	/nfs/dbraw/zinc/52/30/63/817523063.db2.gz	NQAWLGITKXJTRC-XUJVJEKNSA-N	-1	0	299.374	3.078	20	30		CGEDRM
CCc1nnc(-c2cc(C)cc(C(=O)[O-])c2)c(C#N)c1CC	ZINC001243177513	823274602	/nfs/dbraw/zinc/27/46/02/823274602.db2.gz	ALHKZYNZDYZSCD-UHFFFAOYSA-N	-1	0	295.342	3.147	20	30		CGEDRM
CCC[C@H](C#Cc1ccccc1)Oc1[n-]c(=S)nnc1C	ZINC001227602787	817680333	/nfs/dbraw/zinc/68/03/33/817680333.db2.gz	XHEVCFXDUBXBNT-CQSZACIVSA-N	-1	0	299.399	3.068	20	30		CGEDRM
C=CC(C=C)Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227988800	817775178	/nfs/dbraw/zinc/77/51/78/817775178.db2.gz	GWKTXTAIBKHVHQ-UHFFFAOYSA-N	-1	0	262.696	3.108	20	30		CGEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2cc(Cl)ccc21	ZINC001227988692	817775361	/nfs/dbraw/zinc/77/53/61/817775361.db2.gz	DMGFRFSHNGXQRE-SNVBAGLBSA-N	-1	0	276.723	3.170	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228003989	817780445	/nfs/dbraw/zinc/78/04/45/817780445.db2.gz	GXMSBIWUMHARNT-NSHDSACASA-N	-1	0	273.336	3.244	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(F)cc1OCC#N	ZINC001243203750	823289160	/nfs/dbraw/zinc/28/91/60/823289160.db2.gz	HPBIEDBUWWZJIT-UHFFFAOYSA-N	-1	0	285.274	3.402	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/O)c(F)c1	ZINC001243205324	823290482	/nfs/dbraw/zinc/29/04/82/823290482.db2.gz	PYTJPMQKAARJLU-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
C#C[C@@H](Oc1[n-]ncc(=O)c1Cl)[C@H](CC)CCCC	ZINC001228387352	817895419	/nfs/dbraw/zinc/89/54/19/817895419.db2.gz	NJHZYEFHGHKXDO-ZYHUDNBSSA-N	-1	0	282.771	3.433	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)ncc2Cl)O1	ZINC001228480453	817917332	/nfs/dbraw/zinc/91/73/32/817917332.db2.gz	KSUVUIKJFFVXHO-HZMBPMFUSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CCC(CC=C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231219529	818059797	/nfs/dbraw/zinc/05/97/97/818059797.db2.gz	AHLSYLGPEBGGPH-UHFFFAOYSA-N	-1	0	294.263	3.108	20	30		CGEDRM
C=C[C@H](CCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231264657	818066518	/nfs/dbraw/zinc/06/65/18/818066518.db2.gz	TWMOUUQBMMDVEQ-SNVBAGLBSA-N	-1	0	266.297	3.127	20	30		CGEDRM
N#Cc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)cnc1F	ZINC001243326931	823349474	/nfs/dbraw/zinc/34/94/74/823349474.db2.gz	ZLFLIMZWSRHJOJ-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1n[n-]c(=O)cc1Cl	ZINC001233588569	818650469	/nfs/dbraw/zinc/65/04/69/818650469.db2.gz	GDFQELSMWADVCG-LBPRGKRZSA-N	-1	0	288.734	3.045	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc([O-])c(F)c3F)ccc12	ZINC001243341206	823355728	/nfs/dbraw/zinc/35/57/28/823355728.db2.gz	GIIZLJAOOJIICH-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
CCCCCCCC[C@@H](C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939387	818736431	/nfs/dbraw/zinc/73/64/31/818736431.db2.gz	JFILYLPVICSKOL-LLVKDONJSA-N	-1	0	292.383	3.164	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234335978	818838780	/nfs/dbraw/zinc/83/87/80/818838780.db2.gz	NZDDVGKRQVEIII-NSHDSACASA-N	-1	0	286.264	3.282	20	30		CGEDRM
CC(C)C[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234520523	818871777	/nfs/dbraw/zinc/87/17/77/818871777.db2.gz	VBUIQLPOLSIYQD-SNVBAGLBSA-N	-1	0	271.320	3.020	20	30		CGEDRM
C=CCC(CC=C)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234573816	818882914	/nfs/dbraw/zinc/88/29/14/818882914.db2.gz	VUAWHRNKMMVVAX-UHFFFAOYSA-N	-1	0	299.168	3.153	20	30		CGEDRM
N#C[C@H](Oc1ccccc1C=N[O-])c1ccccc1F	ZINC001234819428	818925919	/nfs/dbraw/zinc/92/59/19/818925919.db2.gz	LLPXJHNOFKVRIV-HNNXBMFYSA-N	-1	0	270.263	3.277	20	30		CGEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1cccnc1F	ZINC001234820887	818927126	/nfs/dbraw/zinc/92/71/26/818927126.db2.gz	ZWGNJOJKJXFYEH-SNVBAGLBSA-N	-1	0	260.268	3.169	20	30		CGEDRM
O=C([O-])/C=C/c1ccc(-c2cc(/C=N/O)ccc2F)cc1	ZINC001235624028	819127925	/nfs/dbraw/zinc/12/79/25/819127925.db2.gz	ZKOMAQOLJLERIT-HGBXGJOCSA-N	-1	0	285.274	3.399	20	30		CGEDRM
N#Cc1cc2c(nc1-c1c(F)cc(F)c([O-])c1F)CCC2	ZINC001235989068	819262303	/nfs/dbraw/zinc/26/23/03/819262303.db2.gz	FAIBCMCOLCBNSB-UHFFFAOYSA-N	-1	0	290.244	3.232	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2)cc1CC#N	ZINC001236061279	819294130	/nfs/dbraw/zinc/29/41/30/819294130.db2.gz	USLBNHICIHGBGO-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)nc1F	ZINC001236149660	819346659	/nfs/dbraw/zinc/34/66/59/819346659.db2.gz	YYWHSWYIUOPLIN-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
COc1cccc(-c2ccc(C(=O)[O-])c(F)c2F)c1C#N	ZINC001243513844	823426807	/nfs/dbraw/zinc/42/68/07/823426807.db2.gz	ILESNXYLDDAXMP-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
Cc1cnc(C#N)c(-c2ccc(C(F)(F)F)cc2[O-])n1	ZINC001243609835	823466262	/nfs/dbraw/zinc/46/62/62/823466262.db2.gz	COMIEQDWYBGJNK-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001239351641	820286118	/nfs/dbraw/zinc/28/61/18/820286118.db2.gz	KYSAMWCBZKHNPZ-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])s2)ccc1F	ZINC001240847307	821367273	/nfs/dbraw/zinc/36/72/73/821367273.db2.gz	RZGLYMGDTCQRCX-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])s3)ccc12	ZINC001240847186	821367475	/nfs/dbraw/zinc/36/74/75/821367475.db2.gz	OKIGMHYIBHSUMS-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(C(=O)[O-])s1	ZINC001240849147	821369781	/nfs/dbraw/zinc/36/97/81/821369781.db2.gz	NNFGEDMTZPRNEG-UHFFFAOYSA-N	-1	0	277.276	3.133	20	30		CGEDRM
N#CCCc1cccc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240973488	821457692	/nfs/dbraw/zinc/45/76/92/821457692.db2.gz	JDGYOQJQFMCPEG-UHFFFAOYSA-N	-1	0	265.312	3.437	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc2ncccc2cc1C#N	ZINC001241000705	821479711	/nfs/dbraw/zinc/47/97/11/821479711.db2.gz	IGMJJMUSEWBUKC-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])c(Cl)c1)CCC2	ZINC001241347750	821750980	/nfs/dbraw/zinc/75/09/80/821750980.db2.gz	JMNWJTHQRJSAQX-UHFFFAOYSA-N	-1	0	298.729	3.461	20	30		CGEDRM
N#Cc1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001241431807	821826024	/nfs/dbraw/zinc/82/60/24/821826024.db2.gz	OHGREDBOVIOLQK-IFRROFPPSA-N	-1	0	291.232	3.447	20	30		CGEDRM
Cc1cnc(C#N)c(-c2cc(C(F)(F)F)ccc2[O-])n1	ZINC001242134115	822889371	/nfs/dbraw/zinc/88/93/71/822889371.db2.gz	TUCYHJILBZEMRF-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cccc(F)c3[O-])nc2c1	ZINC001242349272	822959784	/nfs/dbraw/zinc/95/97/84/822959784.db2.gz	MQNAIPSJFBFDRM-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1cccc(C(=O)[O-])c1F	ZINC001242379041	822973845	/nfs/dbraw/zinc/97/38/45/822973845.db2.gz	FJMKHWYTNGFZQE-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
C=C(C)CCC(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC001345782718	936824896	/nfs/dbraw/zinc/82/48/96/936824896.db2.gz	JKGXRGFDNVPUTH-UHFFFAOYSA-N	-1	0	261.321	3.094	20	30		CGEDRM
Cc1oc(C)c(C([O-])=C(C#N)c2ncc(F)cc2F)c1C	ZINC001346764558	936860945	/nfs/dbraw/zinc/86/09/45/936860945.db2.gz	QKVJVTQLSYXMAF-NSHDSACASA-N	-1	0	290.269	3.368	20	30		CGEDRM
Cn1ccc2c1cccc2C(=O)[C@H](C#N)c1cccc(F)n1	ZINC001347107003	936870015	/nfs/dbraw/zinc/87/00/15/936870015.db2.gz	KUPIJEOGJNBNFU-CYBMUJFWSA-N	-1	0	293.301	3.202	20	30		CGEDRM
Cc1cccc2c1[C@H](Oc1[n-]c(=O)ccc1C#N)CC2	ZINC001228898301	932046882	/nfs/dbraw/zinc/04/68/82/932046882.db2.gz	FLLCRZBFHBGSAR-CYBMUJFWSA-N	-1	0	266.300	3.034	20	30		CGEDRM
CC(=O)c1ccc(C(=O)N(O)Cc2ccc(F)cc2)cc1	ZINC001306900777	932892817	/nfs/dbraw/zinc/89/28/17/932892817.db2.gz	QQNYPYAUORFMOK-UHFFFAOYSA-N	-1	0	287.290	3.060	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cc(CC)ccc2O)cc1	ZINC001472285966	937774848	/nfs/dbraw/zinc/77/48/48/937774848.db2.gz	JTJCRERVTVRSAM-UHFFFAOYSA-N	-1	0	265.312	3.188	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)Nc1ccc(O)c(Cl)c1	ZINC001327112474	935030744	/nfs/dbraw/zinc/03/07/44/935030744.db2.gz	GXUAUNKWQPVUNJ-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
Nc1ccc(C=[NH+][N-]c2ccccc2C(=O)[O-])c(Cl)c1	ZINC001327707088	935079784	/nfs/dbraw/zinc/07/97/84/935079784.db2.gz	SFJMJHOMRBREIM-UHFFFAOYSA-N	-1	0	289.722	3.066	20	30		CGEDRM
O=C([C@H]1CC12CCCC2)N(O)Cc1ccc(F)cc1	ZINC001333200992	935516469	/nfs/dbraw/zinc/51/64/69/935516469.db2.gz	ARUIONCDMQLAHC-CYBMUJFWSA-N	-1	0	263.312	3.124	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC001337381263	936254499	/nfs/dbraw/zinc/25/44/99/936254499.db2.gz	AICYSXSJTUEMDI-UHFFFAOYSA-N	-1	0	265.284	3.029	20	30		CGEDRM
N#CC(=C([O-])c1csc(C2CC2)n1)c1cccc(F)n1	ZINC001524705424	938044985	/nfs/dbraw/zinc/04/49/85/938044985.db2.gz	RIIFQSCVNYFXFM-SECBINFHSA-N	-1	0	287.319	3.045	20	30		CGEDRM
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(F)c1[O-]	ZINC001537067174	938107910	/nfs/dbraw/zinc/10/79/10/938107910.db2.gz	AOUJECDSWCEMFI-NSHDSACASA-N	-1	0	298.317	3.236	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c([O-])c1	ZINC001545193751	938149008	/nfs/dbraw/zinc/14/90/08/938149008.db2.gz	GVEUERFLNWTITB-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1c([O-])cccc1F	ZINC001557130425	938207938	/nfs/dbraw/zinc/20/79/38/938207938.db2.gz	YYLAPWCUQXEXAN-NSHDSACASA-N	-1	0	298.317	3.236	20	30		CGEDRM
N#Cc1ccc(CNc2cccc(CCC(=O)[O-])c2)s1	ZINC001611295938	970981163	/nfs/dbraw/zinc/98/11/63/970981163.db2.gz	ZAUHPALDRSCECC-UHFFFAOYSA-N	-1	0	286.356	3.249	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000116581934	949236223	/nfs/dbraw/zinc/23/62/23/949236223.db2.gz	QORUWXGTDQIZLB-OLZOCXBDSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCCCCCCCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000147291579	949351739	/nfs/dbraw/zinc/35/17/39/949351739.db2.gz	HZJALBRCTIWWEK-UHFFFAOYSA-N	-1	0	277.364	3.475	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000398065591	951581916	/nfs/dbraw/zinc/58/19/16/951581916.db2.gz	DSDOSBZAWYQLLY-UONOGXRCSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C=C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000382551383	971821288	/nfs/dbraw/zinc/82/12/88/971821288.db2.gz	VLSBPZWGNUERLX-UHFFFAOYSA-N	-1	0	296.710	3.103	20	30		CGEDRM
N#Cc1ccc(CSc2ncccc2C(=O)[O-])c(F)c1	ZINC000013457383	957090479	/nfs/dbraw/zinc/09/04/79/957090479.db2.gz	MXXBASLHYBTWAL-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
Cc1ccc2ccc(OC(=O)[C@](C)(C#N)CC(=O)[O-])cc2c1	ZINC001594383202	958650661	/nfs/dbraw/zinc/65/06/61/958650661.db2.gz	ROIATOJEYIOALX-KRWDZBQOSA-N	-1	0	297.310	3.058	20	30		CGEDRM
C[C@@H](CSCc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000162519511	959216421	/nfs/dbraw/zinc/21/64/21/959216421.db2.gz	YUNOMZFZRVUQJM-QMMMGPOBSA-N	-1	0	269.753	3.166	20	30		CGEDRM
N#Cc1ccc(OCc2ccoc2C(=O)[O-])cc1Cl	ZINC000226055349	959869938	/nfs/dbraw/zinc/86/99/38/959869938.db2.gz	WMPVVEFEWWWXII-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
C=CC[C@H](Sc1nc(C)nc2ccccc21)C(=O)[O-]	ZINC001588757661	960490450	/nfs/dbraw/zinc/49/04/50/960490450.db2.gz	BPULGFBDGRXWQV-LBPRGKRZSA-N	-1	0	274.345	3.060	20	30		CGEDRM
C=CC[C@@H](OC(=O)C1(CC)CCC(F)(F)CC1)C(=O)[O-]	ZINC001588752526	960492009	/nfs/dbraw/zinc/49/20/09/960492009.db2.gz	YDJCJHOJGVJEAR-SNVBAGLBSA-N	-1	0	290.306	3.165	20	30		CGEDRM
C[C@H](Sc1cc(C(F)(F)F)c(F)cc1C#N)C(=O)[O-]	ZINC001603284415	972520244	/nfs/dbraw/zinc/52/02/44/972520244.db2.gz	SYGAALOESGKCMM-YFKPBYRVSA-N	-1	0	293.241	3.281	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001566864142	961032933	/nfs/dbraw/zinc/03/29/33/961032933.db2.gz	PBCMEZPKEIAUEI-QMMMGPOBSA-N	-1	0	298.726	3.495	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC=CCCC2)c1	ZINC001567073140	961111999	/nfs/dbraw/zinc/11/19/99/961111999.db2.gz	PNVRBHWPEYSJBX-CYBMUJFWSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC001573467240	962260995	/nfs/dbraw/zinc/26/09/95/962260995.db2.gz	XHYXNUXHDVSTKC-LBPRGKRZSA-N	-1	0	288.347	3.205	20	30		CGEDRM
C=CCCCCCCNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001573328867	962810960	/nfs/dbraw/zinc/81/09/60/962810960.db2.gz	QBQGVENOQWSQCV-UHFFFAOYSA-N	-1	0	291.351	3.038	20	30		CGEDRM
C=C1CCC(C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])CC1	ZINC001573343341	962904059	/nfs/dbraw/zinc/90/40/59/962904059.db2.gz	DAMFRDNSPUCPLK-KRWDZBQOSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C#C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001588368060	963266943	/nfs/dbraw/zinc/26/69/43/963266943.db2.gz	GDSXTXOHWJRIMY-LBPRGKRZSA-N	-1	0	283.327	3.098	20	30		CGEDRM
C=C(CNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1	ZINC001588445106	963268368	/nfs/dbraw/zinc/26/83/68/963268368.db2.gz	ARWCJLJFMGMQBC-UHFFFAOYSA-N	-1	0	296.326	3.220	20	30		CGEDRM
C#C[C@@H](CC)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588369639	963270816	/nfs/dbraw/zinc/27/08/16/963270816.db2.gz	RMCKHGONBVDIKD-LBPRGKRZSA-N	-1	0	296.326	3.071	20	30		CGEDRM
C#Cc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1	ZINC001588439303	963271793	/nfs/dbraw/zinc/27/17/93/963271793.db2.gz	SHWOMFVQDXLHKP-QGZVFWFLSA-N	-1	0	291.350	3.246	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCCC1	ZINC001588458016	963276094	/nfs/dbraw/zinc/27/60/94/963276094.db2.gz	OPMPSBOLVJYCBS-UHFFFAOYSA-N	-1	0	289.331	3.165	20	30		CGEDRM
C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C(=O)[O-]	ZINC001588470496	963277233	/nfs/dbraw/zinc/27/72/33/963277233.db2.gz	PGDAAFQFJBMUEU-LLVKDONJSA-N	-1	0	290.363	3.133	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588530269	963279505	/nfs/dbraw/zinc/27/95/05/963279505.db2.gz	XVFVQYGPWHFQMK-KGLIPLIRSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C(C)CC[C@H](C)OC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001588559911	963284553	/nfs/dbraw/zinc/28/45/53/963284553.db2.gz	VHUUUAYOJVJKDD-DVBBHNHCSA-N	-1	0	278.304	3.279	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@@H]1CC(C)C	ZINC001588615549	963290803	/nfs/dbraw/zinc/29/08/03/963290803.db2.gz	XWZYTQBUIDIKMG-CQSZACIVSA-N	-1	0	281.396	3.225	20	30		CGEDRM
CC(C)(C#N)CCCCOC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001588607717	963292719	/nfs/dbraw/zinc/29/27/19/963292719.db2.gz	XUXONAVWKLTYMS-MRXNPFEDSA-N	-1	0	293.363	3.061	20	30		CGEDRM
C=C(CC)CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588606985	963294641	/nfs/dbraw/zinc/29/46/41/963294641.db2.gz	NTABDZDMRJDSCO-UHFFFAOYSA-N	-1	0	299.330	3.021	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(C)CCC(C)(C)CC1	ZINC001588622697	963294726	/nfs/dbraw/zinc/29/47/26/963294726.db2.gz	COPOOJGJFQVTPB-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC(C)(C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001588672168	963298973	/nfs/dbraw/zinc/29/89/73/963298973.db2.gz	OXZQOUVUHZTEBM-UHFFFAOYSA-N	-1	0	268.696	3.156	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1	ZINC001588644383	963300048	/nfs/dbraw/zinc/30/00/48/963300048.db2.gz	TURWDKMTMBORMN-UHFFFAOYSA-N	-1	0	277.295	3.127	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588673099	963301246	/nfs/dbraw/zinc/30/12/46/963301246.db2.gz	ITKNEBZRZWMLIW-UHFFFAOYSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588719840	963304067	/nfs/dbraw/zinc/30/40/67/963304067.db2.gz	YZZJEAIJWFQRDY-JTQLQIEISA-N	-1	0	280.349	3.019	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588691316	963304465	/nfs/dbraw/zinc/30/44/65/963304465.db2.gz	XNVQRRRKGIWEPS-XJKSGUPXSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@@H](Nc1cc(C(C)(C)C)ccc1OC)C(=O)[O-]	ZINC001588701830	963305811	/nfs/dbraw/zinc/30/58/11/963305811.db2.gz	AKBZSVCDWCRNQX-LLVKDONJSA-N	-1	0	263.337	3.044	20	30		CGEDRM
C=C[C@H](N[C@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-]	ZINC001588693275	963306452	/nfs/dbraw/zinc/30/64/52/963306452.db2.gz	VNHUXMNACAERKA-MFKMUULPSA-N	-1	0	289.331	3.040	20	30		CGEDRM
C=CC1(CC(=O)N(CC(=O)[O-])C2CCCC2)CCCCC1	ZINC001588714376	963306834	/nfs/dbraw/zinc/30/68/34/963306834.db2.gz	GEGSWJVQJYQZHS-UHFFFAOYSA-N	-1	0	293.407	3.369	20	30		CGEDRM
C=CC[C@H](SCc1cccc(F)c1F)C(=O)[O-]	ZINC001588759282	963308555	/nfs/dbraw/zinc/30/85/55/963308555.db2.gz	RLJDGVULVAEYIJ-JTQLQIEISA-N	-1	0	258.289	3.227	20	30		CGEDRM
C=CCC1(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC001588763713	963312188	/nfs/dbraw/zinc/31/21/88/963312188.db2.gz	XGFWJWHRQCUJPD-AWEZNQCLSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C=CC[C@@H](CC)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588735708	963312646	/nfs/dbraw/zinc/31/26/46/963312646.db2.gz	IFCGCHUNKSUVBR-ZVTBTPLYSA-N	-1	0	290.319	3.459	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC001588789491	963316771	/nfs/dbraw/zinc/31/67/71/963316771.db2.gz	CPBDYNCMAYSRLJ-CQSZACIVSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC001588772498	963317456	/nfs/dbraw/zinc/31/74/56/963317456.db2.gz	GFJWMUKMFDPZIO-NSHDSACASA-N	-1	0	299.330	3.048	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588798472	963320188	/nfs/dbraw/zinc/32/01/88/963320188.db2.gz	GSPRKXXRKHAIHE-UHFFFAOYSA-N	-1	0	293.338	3.390	20	30		CGEDRM
C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001588799717	963323127	/nfs/dbraw/zinc/32/31/27/963323127.db2.gz	CHHFJMDRAOEJRB-UONOGXRCSA-N	-1	0	296.411	3.018	20	30		CGEDRM
CC#CCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588926946	963330358	/nfs/dbraw/zinc/33/03/58/963330358.db2.gz	DQVYXUVFOZPTEN-UHFFFAOYSA-N	-1	0	296.326	3.073	20	30		CGEDRM
CC[C@H](C)c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC001589463942	963990341	/nfs/dbraw/zinc/99/03/41/963990341.db2.gz	KODPEDJXFKQWBA-MEDUHNTESA-N	-1	0	288.347	3.143	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000136021964	967641479	/nfs/dbraw/zinc/64/14/79/967641479.db2.gz	ZRBYNTQUCBPIKK-UHFFFAOYSA-N	-1	0	290.363	3.134	20	30		CGEDRM
CCCCC(COC)N=Nc1cccc(F)c1C(=O)[O-]	ZINC001595633688	981874862	/nfs/dbraw/zinc/87/48/62/981874862.db2.gz	SSJGAINAXQJDER-UHFFFAOYSA-N	-1	0	282.315	3.128	20	30		CGEDRM
CCCC[C@@H](SCc1ccc(OC)c(C#N)c1)C(=O)[O-]	ZINC001595657851	982066977	/nfs/dbraw/zinc/06/69/77/982066977.db2.gz	UAJHBENHUQPFRJ-CQSZACIVSA-N	-1	0	293.388	3.443	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001595705218	982282710	/nfs/dbraw/zinc/28/27/10/982282710.db2.gz	RNXKFNCHADRWJD-HZSPNIEDSA-N	-1	0	283.412	3.210	20	30		CGEDRM
CCc1oc(C=NN[C@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC001597792724	989333915	/nfs/dbraw/zinc/33/39/15/989333915.db2.gz	HMXXMSPAOSFWOD-LLVKDONJSA-N	-1	0	286.331	3.225	20	30		CGEDRM
CC(C)[C@@H](C)S[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001590975442	991117510	/nfs/dbraw/zinc/11/75/10/991117510.db2.gz	DDJFDMNJKRBCCQ-MFKMUULPSA-N	-1	0	263.362	3.462	20	30		CGEDRM
CC(C)CNN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001591379824	992423318	/nfs/dbraw/zinc/42/33/18/992423318.db2.gz	OSNDHEZSEAYEDU-UHFFFAOYSA-N	-1	0	286.331	3.224	20	30		CGEDRM
CC1(C)CCC[C@@H]1CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001593902895	996768159	/nfs/dbraw/zinc/76/81/59/996768159.db2.gz	ATFYOUUUOKITMP-LLVKDONJSA-N	-1	0	287.363	3.280	20	30		CGEDRM
CC1=C(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCC(C)(C)C1	ZINC000590759346	346872265	/nfs/dbraw/zinc/87/22/65/346872265.db2.gz	WXWVKQSBVZTJEZ-UHFFFAOYSA-N	-1	0	298.390	3.046	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(Cl)s2)nc(C)n1	ZINC000075442260	345507709	/nfs/dbraw/zinc/50/77/09/345507709.db2.gz	WNGVYEFRFHRLBG-VIFPVBQESA-N	-1	0	291.763	3.298	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(F)cc2)c1	ZINC000254700499	346395566	/nfs/dbraw/zinc/39/55/66/346395566.db2.gz	BZFOIXXBYDIQTE-UHFFFAOYSA-N	-1	0	260.224	3.190	20	30		CGEDRM
CC(C)(CCNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000310785035	346472132	/nfs/dbraw/zinc/47/21/32/346472132.db2.gz	ZKVNPLFJXPKMSE-UHFFFAOYSA-N	-1	0	266.728	3.124	20	30		CGEDRM
CCCc1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)s1	ZINC000594734306	347214982	/nfs/dbraw/zinc/21/49/82/347214982.db2.gz	WDKYBSZRQOGMKJ-UHFFFAOYSA-N	-1	0	298.415	3.080	20	30		CGEDRM
N#Cc1cccc(Cl)c1NC[C@H](C(=O)[O-])C1CCC1	ZINC000595977361	347373442	/nfs/dbraw/zinc/37/34/42/347373442.db2.gz	HXHICTHCZLIQEK-NSHDSACASA-N	-1	0	278.739	3.124	20	30		CGEDRM
CC1(C(=O)[O-])CCN(c2cccc(C(F)F)c2C#N)CC1	ZINC000595967709	347373613	/nfs/dbraw/zinc/37/36/13/347373613.db2.gz	BYTMUVUPYMYKNP-UHFFFAOYSA-N	-1	0	294.301	3.187	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)n[nH]1	ZINC000613292170	348586224	/nfs/dbraw/zinc/58/62/24/348586224.db2.gz	AZGHWVZATODVBO-ZDUSSCGKSA-N	-1	0	290.326	3.010	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1	ZINC000617782374	349011472	/nfs/dbraw/zinc/01/14/72/349011472.db2.gz	DLMMKLSYIQTIPM-SNVBAGLBSA-N	-1	0	281.302	3.099	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c(Cl)c1	ZINC000620314361	349356248	/nfs/dbraw/zinc/35/62/48/349356248.db2.gz	BRKUBVDYIVYXMX-TXEJJXNPSA-N	-1	0	277.751	3.369	20	30		CGEDRM
C=CCC[C@@H](NC(=O)CCCCC(=O)[O-])c1ccccc1	ZINC000630297119	350821911	/nfs/dbraw/zinc/82/19/11/350821911.db2.gz	LKAYPGJSFDNRBG-OAHLLOKOSA-N	-1	0	289.375	3.455	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C(=O)[O-]	ZINC000630322682	350823491	/nfs/dbraw/zinc/82/34/91/350823491.db2.gz	UTJCMGDDASOECP-KKUMJFAQSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](CC)CCCC)C(=O)[O-]	ZINC000630325137	350823950	/nfs/dbraw/zinc/82/39/50/350823950.db2.gz	IGGWJPXELCQMLM-QWHCGFSZSA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1s[n-]c(=O)c1Cl	ZINC000633966802	351409224	/nfs/dbraw/zinc/40/92/24/351409224.db2.gz	ULIWBZVAEHENIU-UHFFFAOYSA-N	-1	0	288.800	3.224	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C)n1	ZINC000041520407	369189420	/nfs/dbraw/zinc/18/94/20/369189420.db2.gz	WBXGRAHUNPIUMU-SECBINFHSA-N	-1	0	262.359	3.312	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)s1	ZINC000042316190	369213714	/nfs/dbraw/zinc/21/37/14/369213714.db2.gz	YUEXIBMBADLHII-SNVBAGLBSA-N	-1	0	285.390	3.058	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)o2)n1	ZINC000429668539	372375600	/nfs/dbraw/zinc/37/56/00/372375600.db2.gz	QVKJSGYFALBODZ-SNVBAGLBSA-N	-1	0	285.328	3.221	20	30		CGEDRM
CC(C)(CCC#N)CNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000436735935	372840583	/nfs/dbraw/zinc/84/05/83/372840583.db2.gz	FGKNVLNFBDINAY-UHFFFAOYSA-N	-1	0	298.745	3.244	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2ccoc2c1	ZINC000442849512	373102905	/nfs/dbraw/zinc/10/29/05/373102905.db2.gz	OFQSTPSSEWXEKE-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1C	ZINC000446610837	373333998	/nfs/dbraw/zinc/33/39/98/373333998.db2.gz	MQRKNGWSEXKSDR-ALCCZGGFSA-N	-1	0	294.310	3.139	20	30		CGEDRM
C=CCCCCCSc1n[n-]c(=NC2CC2)s1	ZINC000447305962	373420582	/nfs/dbraw/zinc/42/05/82/373420582.db2.gz	OFVAUBNFIOLPRN-UHFFFAOYSA-N	-1	0	269.439	3.373	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc3nc(C)ccc3o2)n1	ZINC000179584587	373890406	/nfs/dbraw/zinc/89/04/06/373890406.db2.gz	DEHQDRXPNRAFGW-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(F)cc2n[nH]nc21	ZINC000328647636	374373947	/nfs/dbraw/zinc/37/39/47/374373947.db2.gz	HQVIWLQEZUQCJY-ZJUUUORDSA-N	-1	0	290.342	3.228	20	30		CGEDRM
CCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000335725244	375379827	/nfs/dbraw/zinc/37/98/27/375379827.db2.gz	TZFREVOHTXUKAI-LUAWRHEFSA-N	-1	0	279.343	3.073	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[O-]	ZINC000189816043	375449778	/nfs/dbraw/zinc/44/97/78/375449778.db2.gz	AWEGCFPHTDRFOM-UHFFFAOYSA-N	-1	0	278.311	3.005	20	30		CGEDRM
Cc1oc(C#N)cc1C(=O)Nc1ccc(O)c(Cl)c1	ZINC000336153131	375731804	/nfs/dbraw/zinc/73/18/04/375731804.db2.gz	MFHHMEZYRCRCEO-UHFFFAOYSA-N	-1	0	276.679	3.071	20	30		CGEDRM
C=CCCCN(C)C(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000135969900	542089657	/nfs/dbraw/zinc/08/96/57/542089657.db2.gz	CWAVCJMTLXJMJW-UHFFFAOYSA-N	-1	0	281.396	3.226	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\c1ccncc1C#N	ZINC000556779250	376879847	/nfs/dbraw/zinc/87/98/47/376879847.db2.gz	RHGPNPHXFAYFLH-ARJAWSKDSA-N	-1	0	278.311	3.439	20	30		CGEDRM
CCc1cc(C#N)c(NC(=O)c2c(C)onc2CC)s1	ZINC000340441956	377058191	/nfs/dbraw/zinc/05/81/91/377058191.db2.gz	SFHFGTBPNOWXGW-UHFFFAOYSA-N	-1	0	289.360	3.293	20	30		CGEDRM
Cc1c2c(nc(SCc3ncccc3O)c1C#N)CCC2	ZINC000578206270	378047177	/nfs/dbraw/zinc/04/71/77/378047177.db2.gz	NBBGZMGRMHOTPU-UHFFFAOYSA-N	-1	0	297.383	3.143	20	30		CGEDRM
C=CCCCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000278642537	194081695	/nfs/dbraw/zinc/08/16/95/194081695.db2.gz	MYBJFHPZUOSDQM-UHFFFAOYSA-N	-1	0	271.719	3.271	20	30		CGEDRM
Cc1cc2occ(C([O-])=C(C#N)c3ccncn3)c2cc1C	ZINC000352367918	379783314	/nfs/dbraw/zinc/78/33/14/379783314.db2.gz	QZLLNZWCTJRHHJ-ZDUSSCGKSA-N	-1	0	291.310	3.330	20	30		CGEDRM
N#CC(=C([O-])c1cc2cc(F)ccc2s1)c1ccncn1	ZINC000354455679	380446508	/nfs/dbraw/zinc/44/65/08/380446508.db2.gz	BAUPDIOVTKRSNZ-NSHDSACASA-N	-1	0	297.314	3.320	20	30		CGEDRM
CC[C@@H](C)Oc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1	ZINC000354459348	380447815	/nfs/dbraw/zinc/44/78/15/380447815.db2.gz	DQZXLVXSMFJCNO-DOMZBBRYSA-N	-1	0	295.342	3.144	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000262309530	131210778	/nfs/dbraw/zinc/21/07/78/131210778.db2.gz	SFFYUZYOCGCZCP-UHFFFAOYSA-N	-1	0	273.332	3.021	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000192894009	392864911	/nfs/dbraw/zinc/86/49/11/392864911.db2.gz	SYXCUDHJRBFYLW-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
CC(C)(C)CC[C@H](Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000416444816	393313559	/nfs/dbraw/zinc/31/35/59/393313559.db2.gz	ZSJSUKCMIQOWHI-ZDUSSCGKSA-N	-1	0	260.337	3.250	20	30		CGEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C	ZINC000361120407	393679307	/nfs/dbraw/zinc/67/93/07/393679307.db2.gz	QXNVNZCPRJVQFJ-SNVBAGLBSA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000669433998	543105219	/nfs/dbraw/zinc/10/52/19/543105219.db2.gz	DGFWFZMAIHENIY-JSGCOSHPSA-N	-1	0	287.359	3.194	20	30		CGEDRM
N#CC(=C([O-])c1ccc(-c2cccs2)o1)c1ccncn1	ZINC000354470235	227005799	/nfs/dbraw/zinc/00/57/99/227005799.db2.gz	NFCLMSZXPADXDG-SNVBAGLBSA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C(C)C)oc2C)n1	ZINC000353419303	263023689	/nfs/dbraw/zinc/02/36/89/263023689.db2.gz	LBHGIXVRZJAAPK-SNVBAGLBSA-N	-1	0	289.360	3.361	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@@H](C#N)c1c(Cl)cccc1Cl	ZINC000293292071	263139102	/nfs/dbraw/zinc/13/91/02/263139102.db2.gz	GCFPTKKHUNQZIN-QMMMGPOBSA-N	-1	0	293.100	3.329	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H]1CCOC1	ZINC000298424114	263219477	/nfs/dbraw/zinc/21/94/77/263219477.db2.gz	PINSOOWZUYARIR-DZYDPXEMSA-N	-1	0	274.147	3.154	20	30		CGEDRM
CC[C@H](C)[C@H](C)NC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000330800462	264041489	/nfs/dbraw/zinc/04/14/89/264041489.db2.gz	ISVGOYYDKNBSND-IUCAKERBSA-N	-1	0	284.429	3.018	20	30		CGEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2N=c1[n-]c(C2CCC2)no1	ZINC000521009101	270099749	/nfs/dbraw/zinc/09/97/49/270099749.db2.gz	SDWKPZHUNAWWDJ-HNNXBMFYSA-N	-1	0	294.358	3.120	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(F)c1F	ZINC000522083525	268207704	/nfs/dbraw/zinc/20/77/04/268207704.db2.gz	SUPJUSWXNLBJIQ-XQRVVYSFSA-N	-1	0	286.237	3.100	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)o2)n1	ZINC000429668538	269634887	/nfs/dbraw/zinc/63/48/87/269634887.db2.gz	QVKJSGYFALBODZ-JTQLQIEISA-N	-1	0	285.328	3.221	20	30		CGEDRM
C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)c([O-])c2)C1	ZINC000442955572	279018054	/nfs/dbraw/zinc/01/80/54/279018054.db2.gz	LPJUCIWSVQUKFP-GFCCVEGCSA-N	-1	0	292.338	3.103	20	30		CGEDRM
COCc1ccsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000181390346	329232675	/nfs/dbraw/zinc/23/26/75/329232675.db2.gz	ZCXFGUBZDFTWED-JTQLQIEISA-N	-1	0	292.385	3.150	20	30		CGEDRM
CCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(C)n1	ZINC000184547835	329259843	/nfs/dbraw/zinc/25/98/43/329259843.db2.gz	BORSLJLHLQGOGK-ZDUSSCGKSA-N	-1	0	285.372	3.207	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1cc(C(=O)[O-])c(CC)o1	ZINC000263533275	330059156	/nfs/dbraw/zinc/05/91/56/330059156.db2.gz	NKCQIXZHWJPEPI-JTQLQIEISA-N	-1	0	279.336	3.015	20	30		CGEDRM
CCCc1[nH]ccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000422119436	330125584	/nfs/dbraw/zinc/12/55/84/330125584.db2.gz	KMKNKMPPRJACGV-LLVKDONJSA-N	-1	0	273.361	3.222	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1O	ZINC000184843562	333132646	/nfs/dbraw/zinc/13/26/46/333132646.db2.gz	DSLPPQZRUFYCFY-LLVKDONJSA-N	-1	0	291.347	3.110	20	30		CGEDRM
N#CC(=C([O-])c1ncoc1C1CC1)c1nc2ccccc2o1	ZINC000551795058	334261995	/nfs/dbraw/zinc/26/19/95/334261995.db2.gz	NMNFDOJPXSNQEE-SNVBAGLBSA-N	-1	0	293.282	3.183	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-]	ZINC000262825054	334574682	/nfs/dbraw/zinc/57/46/82/334574682.db2.gz	FIJFJESEDPEKHJ-BARDWOONSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C[C@@H]1OCC[C@@H]1C([O-])=Nc1nc2ccsc2s1	ZINC000329087769	534172824	/nfs/dbraw/zinc/17/28/24/534172824.db2.gz	HOFCJKGOHCNVFZ-BQBZGAKWSA-N	-1	0	268.363	3.371	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000262975433	534570729	/nfs/dbraw/zinc/57/07/29/534570729.db2.gz	OXKHNPCFCPQECS-UHFFFAOYSA-N	-1	0	289.331	3.100	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCC1	ZINC000263548367	534586136	/nfs/dbraw/zinc/58/61/36/534586136.db2.gz	VDIRDCVEUHUBHK-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
CCCCCC[C@H](CC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000077612892	528154753	/nfs/dbraw/zinc/15/47/53/528154753.db2.gz	YMUYYNNLGOVYSL-NSHDSACASA-N	-1	0	287.367	3.088	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)oc2C)c1	ZINC000436648146	528460496	/nfs/dbraw/zinc/46/04/96/528460496.db2.gz	LOWXSEOMZKQUQA-UHFFFAOYSA-N	-1	0	298.298	3.010	20	30		CGEDRM
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[O-])cc1	ZINC000740312337	571755430	/nfs/dbraw/zinc/75/54/30/571755430.db2.gz	FLUOIZKVTDMQAC-UHFFFAOYSA-N	-1	0	284.290	3.378	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)ccc1O	ZINC000728231218	571797393	/nfs/dbraw/zinc/79/73/93/571797393.db2.gz	KEGIZVZRTFMTMX-DJWKRKHSSA-N	-1	0	299.282	3.211	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccnc2Cl)s1	ZINC000728699901	571816177	/nfs/dbraw/zinc/81/61/77/571816177.db2.gz	ZGSXNSBRHYGTEQ-ARJAWSKDSA-N	-1	0	293.731	3.391	20	30		CGEDRM
CC(=NNCCCc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000729146197	571878688	/nfs/dbraw/zinc/87/86/88/571878688.db2.gz	OYLIBHIKGSMSTK-UHFFFAOYSA-N	-1	0	296.370	3.331	20	30		CGEDRM
Cc1ccc(NN=Cc2cc(Cl)cc(Cl)c2[O-])nn1	ZINC000729936044	571937942	/nfs/dbraw/zinc/93/79/42/571937942.db2.gz	CJOVGRQLQIVJOI-UHFFFAOYSA-N	-1	0	297.145	3.243	20	30		CGEDRM
Cc1cc(NCCOc2cccc(C#N)c2)ccc1C(=O)[O-]	ZINC000738459961	572376487	/nfs/dbraw/zinc/37/64/87/572376487.db2.gz	NBRATZVZUGXJIX-UHFFFAOYSA-N	-1	0	296.326	3.056	20	30		CGEDRM
C=C(Cl)COC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738492645	572377147	/nfs/dbraw/zinc/37/71/47/572377147.db2.gz	JDYDWOMIHNVEDY-LBPRGKRZSA-N	-1	0	297.738	3.071	20	30		CGEDRM
N#Cc1ccc(CNc2cccc(F)c2C(=O)[O-])cc1	ZINC000739117151	572402760	/nfs/dbraw/zinc/40/27/60/572402760.db2.gz	AMJKFMLAZFPINC-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#Cc1cnc(Oc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC000739141908	572402791	/nfs/dbraw/zinc/40/27/91/572402791.db2.gz	DBPKOLIUPFYGSC-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
Cc1nnc(N=NC(C)CCC2CCCCC2)[n-]c1=O	ZINC000731924045	572436748	/nfs/dbraw/zinc/43/67/48/572436748.db2.gz	PMTLWFOXVRERPD-UHFFFAOYSA-N	-1	0	277.372	3.034	20	30		CGEDRM
N#Cc1ccc(NC[C@H]2CCCN(C(=O)[O-])C2)cc1Cl	ZINC000740319388	572439521	/nfs/dbraw/zinc/43/95/21/572439521.db2.gz	REBGORKWPJYUSI-SNVBAGLBSA-N	-1	0	293.754	3.014	20	30		CGEDRM
Cc1cc(C#N)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000738313595	572603735	/nfs/dbraw/zinc/60/37/35/572603735.db2.gz	OEJSWTTVMKQYMT-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
O=C([O-])c1ccc(CN=Nc2c(F)cccc2F)cc1	ZINC000735615414	572734631	/nfs/dbraw/zinc/73/46/31/572734631.db2.gz	OWDPUZXPRPOYGW-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000736097294	572769096	/nfs/dbraw/zinc/76/90/96/572769096.db2.gz	DJCRHKXICJSJLJ-UHFFFAOYSA-N	-1	0	277.324	3.206	20	30		CGEDRM
CC[C@H](Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-]	ZINC000736926209	572826197	/nfs/dbraw/zinc/82/61/97/572826197.db2.gz	ZYYYDXZRQWFKQB-QWRGUYRKSA-N	-1	0	278.377	3.213	20	30		CGEDRM
CCCCCCCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000736982816	572832304	/nfs/dbraw/zinc/83/23/04/572832304.db2.gz	CCPWQGYJQCMMLQ-AWEZNQCLSA-N	-1	0	298.427	3.243	20	30		CGEDRM
CCOc1ccc(C=Nc2cc(C#N)ccc2OC)c(O)c1	ZINC000747361879	572926738	/nfs/dbraw/zinc/92/67/38/572926738.db2.gz	AOWGXOMMSNAAHD-UHFFFAOYSA-N	-1	0	296.326	3.422	20	30		CGEDRM
CCOc1ccc(O)c(C=Nc2cc(C#N)ccc2OC)c1	ZINC000747362089	572926873	/nfs/dbraw/zinc/92/68/73/572926873.db2.gz	MAEFCNIELLEGKF-UHFFFAOYSA-N	-1	0	296.326	3.422	20	30		CGEDRM
COc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cc1)CC2	ZINC000747624421	572937290	/nfs/dbraw/zinc/93/72/90/572937290.db2.gz	NCODAUCSCWLBMD-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
COc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)CC2	ZINC000747623516	572937389	/nfs/dbraw/zinc/93/73/89/572937389.db2.gz	DWWDBKFKSFZGKA-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748411060	572976047	/nfs/dbraw/zinc/97/60/47/572976047.db2.gz	VJKXYYHJJZVHEB-NSHDSACASA-N	-1	0	298.317	3.220	20	30		CGEDRM
CC(=NNc1cccc(C#N)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749611248	573024134	/nfs/dbraw/zinc/02/41/34/573024134.db2.gz	AGCNPGXZPCFFNY-UHFFFAOYSA-N	-1	0	296.286	3.008	20	30		CGEDRM
Cc1ccc(NN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000749853686	573047963	/nfs/dbraw/zinc/04/79/63/573047963.db2.gz	SXAIEMSBSYNGDU-UHFFFAOYSA-N	-1	0	262.259	3.425	20	30		CGEDRM
C[C@@H](NN=Cc1cc(F)c([O-])c(F)c1)c1ccccc1	ZINC000749858638	573049199	/nfs/dbraw/zinc/04/91/99/573049199.db2.gz	MABOKTPWCRTJGK-SNVBAGLBSA-N	-1	0	276.286	3.355	20	30		CGEDRM
O=C([O-])C1CCC(N=Nc2cccc3ncccc23)CC1	ZINC000814804294	598097090	/nfs/dbraw/zinc/09/70/90/598097090.db2.gz	IVHPYWUGUWGNBP-UHFFFAOYSA-N	-1	0	283.331	3.278	20	30		CGEDRM
C=C(C)CN(CC)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000207456539	600609812	/nfs/dbraw/zinc/60/98/12/600609812.db2.gz	BCHPHCMXFOZPEZ-VURMDHGXSA-N	-1	0	290.319	3.095	20	30		CGEDRM
C=CCCCC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC000825671308	601126431	/nfs/dbraw/zinc/12/64/31/601126431.db2.gz	LLVHDLOVDURBDT-NTMALXAHSA-N	-1	0	290.315	3.055	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CCO2	ZINC000832961440	601330749	/nfs/dbraw/zinc/33/07/49/601330749.db2.gz	AWFVFXJYVPEBKL-LUAWRHEFSA-N	-1	0	297.310	3.070	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCc3cc(F)ccc3C2=O)[nH]1	ZINC000833312696	601332780	/nfs/dbraw/zinc/33/27/80/601332780.db2.gz	TXJYVSFEJVHRGC-CSKARUKUSA-N	-1	0	285.274	3.065	20	30		CGEDRM
CCOc1ccc(C=Nc2ccccc2CC(=O)[O-])c(O)c1	ZINC000818239951	601365459	/nfs/dbraw/zinc/36/54/59/601365459.db2.gz	AWPYRDFSYGAFTF-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
Cc1oc(C(=O)[O-])cc1CNc1cc(C#N)ccc1C	ZINC000235766756	601390693	/nfs/dbraw/zinc/39/06/93/601390693.db2.gz	QPMVSKQRDNQVMY-UHFFFAOYSA-N	-1	0	270.288	3.078	20	30		CGEDRM
O=C([O-])c1ccc(CON=Cc2ccccc2F)cc1F	ZINC000833314176	601630264	/nfs/dbraw/zinc/63/02/64/601630264.db2.gz	CRTYLFJMCWFQBM-UHFFFAOYSA-N	-1	0	291.253	3.214	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1COc1ccc(C#N)c(F)c1	ZINC000122694446	601634699	/nfs/dbraw/zinc/63/46/99/601634699.db2.gz	VLFUQLVETPVETE-UHFFFAOYSA-N	-1	0	291.303	3.345	20	30		CGEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cc(F)cc(F)c2)o1	ZINC000833095824	601763800	/nfs/dbraw/zinc/76/38/00/601763800.db2.gz	ZPFCEDZMOYFCBP-IWQZZHSRSA-N	-1	0	278.210	3.152	20	30		CGEDRM
N#Cc1ccc(SCc2ccsc2C(=O)[O-])nc1	ZINC000833074444	601810017	/nfs/dbraw/zinc/81/00/17/601810017.db2.gz	YEVWJXZESGBRKK-UHFFFAOYSA-N	-1	0	276.342	3.005	20	30		CGEDRM
COc1cccc2c1C/C(=C/c1ccc(C(=O)[O-])cc1)C2=O	ZINC000759663057	601850759	/nfs/dbraw/zinc/85/07/59/601850759.db2.gz	ASDUJSRVOYKPHG-LCYFTJDESA-N	-1	0	294.306	3.216	20	30		CGEDRM
Cc1ccc2c(c1)OCC/C(=C\c1ccc(C(=O)[O-])o1)C2=O	ZINC000832958995	601952271	/nfs/dbraw/zinc/95/22/71/601952271.db2.gz	DMRIGEQBJHOZTG-PKNBQFBNSA-N	-1	0	298.294	3.335	20	30		CGEDRM
CCCCCCCCCC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000109061797	602014880	/nfs/dbraw/zinc/01/48/80/602014880.db2.gz	GKKOLHAWMZTJHX-MRXNPFEDSA-N	-1	0	283.412	3.450	20	30		CGEDRM
C#CCN(CC)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000825614106	602042611	/nfs/dbraw/zinc/04/26/11/602042611.db2.gz	GFEZVMMXGSVLEB-LBPRGKRZSA-N	-1	0	286.158	3.074	20	30		CGEDRM
N#Cc1c(F)cccc1NC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000831109406	603203663	/nfs/dbraw/zinc/20/36/63/603203663.db2.gz	IHUTVIWWXZPODN-OAHLLOKOSA-N	-1	0	299.305	3.118	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000823496169	603873066	/nfs/dbraw/zinc/87/30/66/603873066.db2.gz	DWCOZGNNMCDKEY-UHFFFAOYSA-N	-1	0	274.320	3.022	20	30		CGEDRM
C#CC[C@H](OC(=O)c1ccc(C)c(NC(=O)[O-])c1)C1CC1	ZINC000823441071	604212037	/nfs/dbraw/zinc/21/20/37/604212037.db2.gz	RZYAQSSFROMRPK-AWEZNQCLSA-N	-1	0	287.315	3.044	20	30		CGEDRM
O=C(C=Cc1cnn(C2CCC2)c1)c1sccc1[O-]	ZINC000899366846	620674842	/nfs/dbraw/zinc/67/48/42/620674842.db2.gz	PYZGMCLZWZGUQS-SNAWJCMRSA-N	-1	0	274.345	3.271	20	30		CGEDRM
Cc1cc([C@H](C)OC(=O)c2cccc(C#N)c2)oc1C(=O)[O-]	ZINC000832873419	604545156	/nfs/dbraw/zinc/54/51/56/604545156.db2.gz	CGYJCKAIHQRQHZ-JTQLQIEISA-N	-1	0	299.282	3.076	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833484196	604612353	/nfs/dbraw/zinc/61/23/53/604612353.db2.gz	UGWBEBOKHODQSB-UHFFFAOYSA-N	-1	0	299.374	3.018	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832637585	604629852	/nfs/dbraw/zinc/62/98/52/604629852.db2.gz	WJRJVUAWMYKNBV-SREVYHEPSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CC1(c2ccccc2)CC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763371869	604669123	/nfs/dbraw/zinc/66/91/23/604669123.db2.gz	KXWVBWGUXKLIQW-UHFFFAOYSA-N	-1	0	295.342	3.299	20	30		CGEDRM
C[C@@H](SCc1ccccc1C(C)(C)C#N)C(=O)[O-]	ZINC000827909243	604712261	/nfs/dbraw/zinc/71/22/61/604712261.db2.gz	UYFOWLQPNOTZPQ-SNVBAGLBSA-N	-1	0	263.362	3.194	20	30		CGEDRM
Cc1cc([C@@H](C)Sc2cc(C#N)ccn2)oc1C(=O)[O-]	ZINC000832874121	604712536	/nfs/dbraw/zinc/71/25/36/604712536.db2.gz	MNXDTZPMIIBBPH-SECBINFHSA-N	-1	0	288.328	3.406	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cccc2[nH]ccc21	ZINC000755600853	605097309	/nfs/dbraw/zinc/09/73/09/605097309.db2.gz	KWNKEVMNUCBAGU-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1nccs1	ZINC000833386659	605155892	/nfs/dbraw/zinc/15/58/92/605155892.db2.gz	QANZRVHUMKNBPE-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCOCC1	ZINC000833386649	605156126	/nfs/dbraw/zinc/15/61/26/605156126.db2.gz	OZSILGZJUPASNU-UHFFFAOYSA-N	-1	0	296.754	3.253	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833370663	605156707	/nfs/dbraw/zinc/15/67/07/605156707.db2.gz	MNNMPBYRWWVNLT-UHFFFAOYSA-N	-1	0	279.361	3.462	20	30		CGEDRM
CN(Cc1ccccc1NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000828399899	605246548	/nfs/dbraw/zinc/24/65/48/605246548.db2.gz	ITBVUJXESGLMKN-UHFFFAOYSA-N	-1	0	295.342	3.280	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])[C@H](CC)C1	ZINC000833853145	605361661	/nfs/dbraw/zinc/36/16/61/605361661.db2.gz	NTWMQLQBVUQZHF-KGLIPLIRSA-N	-1	0	298.427	3.242	20	30		CGEDRM
C#CCCCCCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000833361526	605625381	/nfs/dbraw/zinc/62/53/81/605625381.db2.gz	ACYXJZFNKVQTMZ-GJZGRUSLSA-N	-1	0	293.407	3.110	20	30		CGEDRM
C#CCCCCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000833361952	605628009	/nfs/dbraw/zinc/62/80/09/605628009.db2.gz	SYYWJRYPEZSIRS-OAHLLOKOSA-N	-1	0	299.370	3.175	20	30		CGEDRM
N#Cc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cs1	ZINC000900043250	620749930	/nfs/dbraw/zinc/74/99/30/620749930.db2.gz	QYKRDBJYXJGAHY-LSDHHAIUSA-N	-1	0	298.367	3.420	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OC/C=C\Cl)c1ccccc1	ZINC000812406458	617777821	/nfs/dbraw/zinc/77/78/21/617777821.db2.gz	FPMMMBSWYPXNTH-HKBVPSITSA-N	-1	0	265.740	3.147	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/Cc3nc(Cl)ccc3C2=O)c1	ZINC000806578008	617802916	/nfs/dbraw/zinc/80/29/16/617802916.db2.gz	KGTSRDISLHULJO-XFFZJAGNSA-N	-1	0	299.713	3.256	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077880577	618218046	/nfs/dbraw/zinc/21/80/46/618218046.db2.gz	QWELEGGXDPTCAR-LLVKDONJSA-N	-1	0	283.393	3.470	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	ZINC000042343834	620789074	/nfs/dbraw/zinc/78/90/74/620789074.db2.gz	FQNOTBHZLCFFQM-VXGBXAGGSA-N	-1	0	287.425	3.311	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(O)cc2)s1	ZINC000255568571	618714291	/nfs/dbraw/zinc/71/42/91/618714291.db2.gz	IAMBCSDGVVZXKR-FPLPWBNLSA-N	-1	0	255.298	3.221	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC000176822451	618740890	/nfs/dbraw/zinc/74/08/90/618740890.db2.gz	SZKFYBKTGBXTTL-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
N#Cc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F	ZINC000255692727	618777959	/nfs/dbraw/zinc/77/79/59/618777959.db2.gz	QQIHQLCLCLNFGP-UHFFFAOYSA-N	-1	0	285.234	3.062	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccsc1	ZINC000194614160	619156576	/nfs/dbraw/zinc/15/65/76/619156576.db2.gz	KPGPFIPJJNMJBU-DUXPYHPUSA-N	-1	0	275.285	3.258	20	30		CGEDRM
O=C([O-])C1CC(N=Nc2ccc(Cl)c(Cl)c2)C1	ZINC000814796862	619424007	/nfs/dbraw/zinc/42/40/07/619424007.db2.gz	TZUDDMBUWGGNJN-UHFFFAOYSA-N	-1	0	273.119	3.256	20	30		CGEDRM
C[C@H](NN=Cc1ccc(C(=O)[O-])cc1Cl)C(C)(C)C	ZINC000793115554	619680631	/nfs/dbraw/zinc/68/06/31/619680631.db2.gz	RNKLZZVWAFMHQY-VIFPVBQESA-N	-1	0	282.771	3.396	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)cc1	ZINC000049134996	619702074	/nfs/dbraw/zinc/70/20/74/619702074.db2.gz	QOSSNTZORUYLOR-LLVKDONJSA-N	-1	0	281.377	3.076	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909509663	619788941	/nfs/dbraw/zinc/78/89/41/619788941.db2.gz	AVGOWIAVWYVZPX-UHFFFAOYSA-N	-1	0	273.332	3.134	20	30		CGEDRM
N#Cc1ccccc1COC(=O)c1cc([S-])ccc1F	ZINC000798723233	620284969	/nfs/dbraw/zinc/28/49/69/620284969.db2.gz	GZQSFUPWFBTOGF-UHFFFAOYSA-N	-1	0	287.315	3.343	20	30		CGEDRM
CC[C@H](CNc1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000900973804	620822815	/nfs/dbraw/zinc/82/28/15/620822815.db2.gz	IKVSGOLMLIWERF-SECBINFHSA-N	-1	0	286.253	3.100	20	30		CGEDRM
CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)CCCCC(=O)[O-]	ZINC000901304275	620851734	/nfs/dbraw/zinc/85/17/34/620851734.db2.gz	RUPCKDRNYVNCPS-XPCVCDNBSA-N	-1	0	298.427	3.189	20	30		CGEDRM
C[C@H]1CC(=NNC2CCC(F)(F)CC2)CC[C@H]1C(=O)[O-]	ZINC000901341041	620857752	/nfs/dbraw/zinc/85/77/52/620857752.db2.gz	TXVVNALZKAWWTP-JOYOIKCWSA-N	-1	0	288.338	3.031	20	30		CGEDRM
C=CC[C@H]1CC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000901660372	620969184	/nfs/dbraw/zinc/96/91/84/620969184.db2.gz	BDVMCLCARWDASA-SWLSCSKDSA-N	-1	0	259.349	3.470	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000072595108	625519118	/nfs/dbraw/zinc/51/91/18/625519118.db2.gz	NAHRUSYYTIKZES-LLVKDONJSA-N	-1	0	283.393	3.385	20	30		CGEDRM
C=CC[C@H](C)[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC000905750069	622099787	/nfs/dbraw/zinc/09/97/87/622099787.db2.gz	CZWSCNXYLPLUSH-RYUDHWBXSA-N	-1	0	287.363	3.134	20	30		CGEDRM
C=CCn1ncc2ccc(NCCC(C)(C)C(=O)[O-])cc21	ZINC000905752412	622105803	/nfs/dbraw/zinc/10/58/03/622105803.db2.gz	PEYQRTNSTPNREO-UHFFFAOYSA-N	-1	0	287.363	3.135	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000907750750	622310527	/nfs/dbraw/zinc/31/05/27/622310527.db2.gz	UEAMTTYYFDYWSK-STQMWFEESA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000908222249	622334150	/nfs/dbraw/zinc/33/41/50/622334150.db2.gz	VDCNAJJZFHSGKC-UHFFFAOYSA-N	-1	0	275.348	3.122	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908334680	622342757	/nfs/dbraw/zinc/34/27/57/622342757.db2.gz	QGNQPHNZXRJIEP-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000909097028	622391580	/nfs/dbraw/zinc/39/15/80/622391580.db2.gz	MGHAMJRPZCSFIT-YCABEKBOSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000909836456	622430241	/nfs/dbraw/zinc/43/02/41/622430241.db2.gz	PZKQICHHNZPSCP-SNVBAGLBSA-N	-1	0	261.321	3.025	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000910473865	622488166	/nfs/dbraw/zinc/48/81/66/622488166.db2.gz	QVORMNOGMGSSON-JJRVBVJISA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000910924497	622509119	/nfs/dbraw/zinc/50/91/19/622509119.db2.gz	CARHZTMYQVGHGM-CYBMUJFWSA-N	-1	0	293.363	3.251	20	30		CGEDRM
COCc1ccc(/C=C/C(=O)c2ccc(OC)cc2[O-])cc1	ZINC000156614739	622830349	/nfs/dbraw/zinc/83/03/49/622830349.db2.gz	CTCAMSCCPKQTLJ-JXMROGBWSA-N	-1	0	298.338	3.443	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1C#N	ZINC000156714834	622841165	/nfs/dbraw/zinc/84/11/65/622841165.db2.gz	WBLKHSZATHTNAY-QHHAFSJGSA-N	-1	0	297.285	3.308	20	30		CGEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C)C(F)(F)F	ZINC000834998141	623845844	/nfs/dbraw/zinc/84/58/44/623845844.db2.gz	CQPJSCZJEHGQTP-HRDYMLBCSA-N	-1	0	294.317	3.040	20	30		CGEDRM
CCc1ccccc1NN=Cc1ccccc1OCC(=O)[O-]	ZINC000915051806	623890420	/nfs/dbraw/zinc/89/04/20/623890420.db2.gz	SQOSTRBYPWOMJK-UHFFFAOYSA-N	-1	0	298.342	3.158	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc3ncccc3c2)c1	ZINC000916255356	624125430	/nfs/dbraw/zinc/12/54/30/624125430.db2.gz	UYEBKPZQQJYHRP-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(C(C)C)cc1	ZINC000917554693	624287807	/nfs/dbraw/zinc/28/78/07/624287807.db2.gz	JFLFXXIFCDEUEO-UHFFFAOYSA-N	-1	0	294.362	3.312	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCCC2)c1[O-]	ZINC000920942865	624554269	/nfs/dbraw/zinc/55/42/69/624554269.db2.gz	RUNMMOIXCIKJJV-AUWJEWJLSA-N	-1	0	268.700	3.315	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2ccco2)c1[O-]	ZINC000920945469	624556080	/nfs/dbraw/zinc/55/60/80/624556080.db2.gz	ZVFFGEUFBBJKOL-NVNXTCNLSA-N	-1	0	294.694	3.208	20	30		CGEDRM
CCCCCCCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000103092905	626233166	/nfs/dbraw/zinc/23/31/66/626233166.db2.gz	FPOUOUXWAFOHJR-CYBMUJFWSA-N	-1	0	269.385	3.203	20	30		CGEDRM
C#Cc1ccccc1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000753690216	626462549	/nfs/dbraw/zinc/46/25/49/626462549.db2.gz	CNBYISSOAGPBJJ-UHFFFAOYSA-N	-1	0	278.311	3.202	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000755600001	626631028	/nfs/dbraw/zinc/63/10/28/626631028.db2.gz	XICSBHKCOJKRCT-AATRIKPKSA-N	-1	0	285.249	3.438	20	30		CGEDRM
O=C(C=Cc1ccc(Cl)nc1)c1sccc1[O-]	ZINC000756623593	626721077	/nfs/dbraw/zinc/72/10/77/626721077.db2.gz	UKEDFYCRRQBTIH-HNQUOIGGSA-N	-1	0	265.721	3.398	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1occc1C	ZINC000756901113	626740140	/nfs/dbraw/zinc/74/01/40/626740140.db2.gz	KQOJOFJGIGOCDB-UHFFFAOYSA-N	-1	0	288.303	3.131	20	30		CGEDRM
CCCCCCO[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000839696120	626776057	/nfs/dbraw/zinc/77/60/57/626776057.db2.gz	HTUVJXBFFRDLJZ-LBPRGKRZSA-N	-1	0	290.363	3.188	20	30		CGEDRM
N#CCOc1cccc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000757474208	626781662	/nfs/dbraw/zinc/78/16/62/626781662.db2.gz	KQNRPXMBUJDKBN-HJWRWDBZSA-N	-1	0	279.295	3.191	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000757477036	626782114	/nfs/dbraw/zinc/78/21/14/626782114.db2.gz	XXNPTROYCQQHNJ-NSCUHMNNSA-N	-1	0	281.283	3.331	20	30		CGEDRM
Cc1ncccc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000757475848	626782121	/nfs/dbraw/zinc/78/21/21/626782121.db2.gz	MXGLLVOBTBHEBE-SNAWJCMRSA-N	-1	0	275.254	3.270	20	30		CGEDRM
CC(C)c1ncc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000758371056	626840392	/nfs/dbraw/zinc/84/03/92/626840392.db2.gz	IKIOMDFGRZUERY-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
Cc1oc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])c1C	ZINC000759720730	626918477	/nfs/dbraw/zinc/91/84/77/626918477.db2.gz	VMZDSAIJQLEWJA-UHFFFAOYSA-N	-1	0	270.288	3.034	20	30		CGEDRM
O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccco2)cc1	ZINC000762303429	627104993	/nfs/dbraw/zinc/10/49/93/627104993.db2.gz	GJLYYNFVPMREKZ-VMPITWQZSA-N	-1	0	286.283	3.029	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCCc3ccccc32)nc1	ZINC000763367439	627153842	/nfs/dbraw/zinc/15/38/42/627153842.db2.gz	DQERVLOZKITDIJ-CYBMUJFWSA-N	-1	0	295.342	3.298	20	30		CGEDRM
CC(C)[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372127	627154876	/nfs/dbraw/zinc/15/48/76/627154876.db2.gz	UIJRRMYXALZEOW-LLVKDONJSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\COc3ccccc3C2=O)c1	ZINC000765826877	627274205	/nfs/dbraw/zinc/27/42/05/627274205.db2.gz	UIQFGMRGVATSDX-WEVVVXLNSA-N	-1	0	286.308	3.105	20	30		CGEDRM
CC(C)c1nccnc1N=NC(C)c1ccc(C(=O)[O-])cc1	ZINC000773095417	627855459	/nfs/dbraw/zinc/85/54/59/627855459.db2.gz	YHSCFMSDJYSTPY-UHFFFAOYSA-N	-1	0	298.346	3.134	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1	ZINC000782206176	628624771	/nfs/dbraw/zinc/62/47/71/628624771.db2.gz	HQKGTMCWOSQWHG-HYXAFXHYSA-N	-1	0	288.324	3.356	20	30		CGEDRM
Cc1ccc2nc(/C=C/C(=O)c3cc(F)ccc3[O-])cn2c1	ZINC000789144190	629107215	/nfs/dbraw/zinc/10/72/15/629107215.db2.gz	SXYGYAYDGTYXBY-GQCTYLIASA-N	-1	0	296.301	3.384	20	30		CGEDRM
C[C@@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1	ZINC000789147890	629108107	/nfs/dbraw/zinc/10/81/07/629108107.db2.gz	LKQSTEHEDYNVTA-PZBKNZOISA-N	-1	0	294.310	3.241	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-]	ZINC000125537920	634721913	/nfs/dbraw/zinc/72/19/13/634721913.db2.gz	OTTLBQVKLDLKJH-STQMWFEESA-N	-1	0	269.385	3.059	20	30		CGEDRM
O=c1[n-]c(N=NC2CCC3(CC3)CC2)nc2ccccc21	ZINC000792634422	629372355	/nfs/dbraw/zinc/37/23/55/629372355.db2.gz	CXKOXIUIXYWNDW-UHFFFAOYSA-N	-1	0	282.347	3.458	20	30		CGEDRM
CC[C@@H](NN=C1CCC(C)(c2ccccc2)CC1)C(=O)[O-]	ZINC000793073872	629408056	/nfs/dbraw/zinc/40/80/56/629408056.db2.gz	XIPWHFGTOWWCHQ-LDCVWXEPSA-N	-1	0	288.391	3.327	20	30		CGEDRM
CC[C@@H](NN=C(C)c1ccc(-c2ccccc2)o1)C(=O)[O-]	ZINC000793077739	629408106	/nfs/dbraw/zinc/40/81/06/629408106.db2.gz	HPMUZYNWXYMOJL-CYBMUJFWSA-N	-1	0	286.331	3.123	20	30		CGEDRM
CC(C)CCCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000863077141	629468591	/nfs/dbraw/zinc/46/85/91/629468591.db2.gz	FKDHECMQNHRETF-UHFFFAOYSA-N	-1	0	289.404	3.345	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CCC[C@H]1CCF	ZINC000794887063	629595061	/nfs/dbraw/zinc/59/50/61/629595061.db2.gz	FINVYOOKCISUPA-JTQLQIEISA-N	-1	0	264.300	3.312	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CCCCCC(C)C)C(=O)[O-]	ZINC000864187092	629795477	/nfs/dbraw/zinc/79/54/77/629795477.db2.gz	DEECHUQERHBQGI-ZDUSSCGKSA-N	-1	0	269.385	3.129	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc(Cl)o2)cc1	ZINC000864330980	629814455	/nfs/dbraw/zinc/81/44/55/629814455.db2.gz	YMQIYZCZPRBPHK-UHFFFAOYSA-N	-1	0	264.668	3.077	20	30		CGEDRM
Cc1ccc2c(NNc3ccc(C(=O)[O-])cn3)csc2c1	ZINC000797786341	629982319	/nfs/dbraw/zinc/98/23/19/629982319.db2.gz	RNOLMCXDQAELFC-UHFFFAOYSA-N	-1	0	299.355	3.010	20	30		CGEDRM
CCCc1occc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000798985507	630133043	/nfs/dbraw/zinc/13/30/43/630133043.db2.gz	OYPCVUWQVUDKPU-UHFFFAOYSA-N	-1	0	270.288	3.062	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1C#N	ZINC000799497132	630191398	/nfs/dbraw/zinc/19/13/98/630191398.db2.gz	IMXOCTYPJMGLCX-UTCJRWHESA-N	-1	0	297.285	3.308	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1C#N	ZINC000799497133	630191566	/nfs/dbraw/zinc/19/15/66/630191566.db2.gz	IMXOCTYPJMGLCX-ZZXKWVIFSA-N	-1	0	297.285	3.308	20	30		CGEDRM
C#C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C	ZINC000806551488	630565906	/nfs/dbraw/zinc/56/59/06/630565906.db2.gz	LGRUDRIDYYANBF-WIJRQFRKSA-N	-1	0	294.738	3.421	20	30		CGEDRM
CC(C)OCCON=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000812239715	631230577	/nfs/dbraw/zinc/23/05/77/631230577.db2.gz	BTTQYQKFAWBCTQ-UHFFFAOYSA-N	-1	0	292.162	3.475	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2cccc(F)c2)CCCCC1	ZINC000837044673	634846835	/nfs/dbraw/zinc/84/68/35/634846835.db2.gz	REFMUJJFOFFMNE-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
CC(=NNCc1cccc(F)c1)c1csc(C(=O)[O-])c1	ZINC000814805382	631643487	/nfs/dbraw/zinc/64/34/87/631643487.db2.gz	WQUHPRGMPMNSCP-UHFFFAOYSA-N	-1	0	292.335	3.099	20	30		CGEDRM
C[C@H]1C(N=Nc2ncccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814810280	631646266	/nfs/dbraw/zinc/64/62/66/631646266.db2.gz	FYCXOYMXQDQRIZ-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1	ZINC000814815360	631647936	/nfs/dbraw/zinc/64/79/36/631647936.db2.gz	VAMFLZRMDOBLEW-XUJVJEKNSA-N	-1	0	274.364	3.214	20	30		CGEDRM
C[C@H](NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C)c1ccccc1	ZINC000814815329	631648233	/nfs/dbraw/zinc/64/82/33/631648233.db2.gz	UFXMWEKPTQDSOO-SGMGOOAPSA-N	-1	0	274.364	3.214	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(F)c2F)CC[C@H]1CC(=O)[O-]	ZINC000814859066	631657851	/nfs/dbraw/zinc/65/78/51/631657851.db2.gz	IWRHEGWKDOMXOW-IUCAKERBSA-N	-1	0	282.290	3.254	20	30		CGEDRM
O=c1[n-]c(N=NC2CC[C@H]2C2CCC2)nc2ccccc21	ZINC000814868995	631659714	/nfs/dbraw/zinc/65/97/14/631659714.db2.gz	POURZKWXWWUZPM-NSHDSACASA-N	-1	0	282.347	3.313	20	30		CGEDRM
C[C@H]1C(=NNCc2ccc(Cl)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814873224	631661034	/nfs/dbraw/zinc/66/10/34/631661034.db2.gz	RYHALDPFGCUXEU-ZYHUDNBSSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(Cl)cc1	ZINC000814875582	631662153	/nfs/dbraw/zinc/66/21/53/631662153.db2.gz	NMHKCCXGAARFPW-CMPLNLGQSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@H]1C(=NNCc2ccccc2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814887699	631666028	/nfs/dbraw/zinc/66/60/28/631666028.db2.gz	KVUKNIQIFWXKPC-JSGCOSHPSA-N	-1	0	288.391	3.289	20	30		CGEDRM
CC(=NO[C@@H]1CCCCO1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814887075	631666063	/nfs/dbraw/zinc/66/60/63/631666063.db2.gz	HGUHHRAMCJYSEK-MBNYWOFBSA-N	-1	0	283.368	3.043	20	30		CGEDRM
O=C([O-])c1cc(C=NOc2ccccc2C(F)(F)F)c[nH]1	ZINC000814888386	631666600	/nfs/dbraw/zinc/66/66/00/631666600.db2.gz	XQFAVYOPHPXERH-UHFFFAOYSA-N	-1	0	298.220	3.145	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NOCc1ccc(F)cc1	ZINC000814903353	631673843	/nfs/dbraw/zinc/67/38/43/631673843.db2.gz	FOIUHYMBQIWEEM-ZYHUDNBSSA-N	-1	0	279.311	3.219	20	30		CGEDRM
Cc1cccnc1NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814911785	631678958	/nfs/dbraw/zinc/67/89/58/631678958.db2.gz	TVNPITHYPFHLIZ-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NOC/C=C/Cl	ZINC000814934414	631689379	/nfs/dbraw/zinc/68/93/79/631689379.db2.gz	UPIGPPAKNNLGBX-XOWKLHRESA-N	-1	0	264.083	3.288	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1	ZINC000816839073	632055405	/nfs/dbraw/zinc/05/54/05/632055405.db2.gz	UBVAXKRYRUAAFB-UHFFFAOYSA-N	-1	0	294.335	3.350	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC12CC2	ZINC000817713400	632205171	/nfs/dbraw/zinc/20/51/71/632205171.db2.gz	CTMMLAZQCJCDFS-CHWSQXEVSA-N	-1	0	292.338	3.168	20	30		CGEDRM
CS[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000844271147	635852385	/nfs/dbraw/zinc/85/23/85/635852385.db2.gz	NEMGMZLGDCHHSW-NGVDKPIASA-N	-1	0	294.376	3.394	20	30		CGEDRM
C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000827829023	633522448	/nfs/dbraw/zinc/52/24/48/633522448.db2.gz	IGTSVOFPKWJLRX-MEBBXXQBSA-N	-1	0	258.321	3.029	20	30		CGEDRM
CC(C)CCc1cc(=O)n(-c2cc(C#N)cc(Cl)n2)[n-]1	ZINC000871955443	633926445	/nfs/dbraw/zinc/92/64/45/633926445.db2.gz	UPZWTOWDGBUPPI-UHFFFAOYSA-N	-1	0	290.754	3.136	20	30		CGEDRM
O=C([O-])c1cc(NNC=C2CC2(F)F)ccc1Cl	ZINC000834915488	634286554	/nfs/dbraw/zinc/28/65/54/634286554.db2.gz	KFECRUVQQHXUIN-ZCFIWIBFSA-N	-1	0	274.654	3.091	20	30		CGEDRM
CC[C@H](C)[C@@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834916747	634287072	/nfs/dbraw/zinc/28/70/72/634287072.db2.gz	KFXQVSKBQKDYOZ-TVQRCGJNSA-N	-1	0	298.770	3.497	20	30		CGEDRM
CC(C)ON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000835002949	634309209	/nfs/dbraw/zinc/30/92/09/634309209.db2.gz	UGTRMTWYLQFUAG-UHFFFAOYSA-N	-1	0	281.739	3.237	20	30		CGEDRM
CC(C)[C@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008768	634313553	/nfs/dbraw/zinc/31/35/53/634313553.db2.gz	IVTOWOWFNIUJFF-SNVBAGLBSA-N	-1	0	264.300	3.358	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCCC2)c(F)c1	ZINC000835011656	634315892	/nfs/dbraw/zinc/31/58/92/634315892.db2.gz	IDMLVRWKVZOURO-UHFFFAOYSA-N	-1	0	250.273	3.256	20	30		CGEDRM
CC1C=C(N=Nc2ccc(C(=O)[O-])cc2F)CCC1	ZINC000835012840	634317136	/nfs/dbraw/zinc/31/71/36/634317136.db2.gz	WWVXOBMWNQGSCJ-UHFFFAOYSA-N	-1	0	262.284	3.422	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1	ZINC000126430370	635016254	/nfs/dbraw/zinc/01/62/54/635016254.db2.gz	UPNXXHRVGJMOKX-GHXNOFRVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCCC2(F)F)c1	ZINC000840709553	635039030	/nfs/dbraw/zinc/03/90/30/635039030.db2.gz	NPYDWEIIRINDEM-SMUOPJFFSA-N	-1	0	284.262	3.155	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCCC[C@H]2F)c1	ZINC000840712217	635039784	/nfs/dbraw/zinc/03/97/84/635039784.db2.gz	GXXANCGKBOEBNH-WWISCJFESA-N	-1	0	266.272	3.000	20	30		CGEDRM
CO[C@@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)CC(C)C	ZINC000841605289	635195389	/nfs/dbraw/zinc/19/53/89/635195389.db2.gz	ZGFKELVLFXEJAA-LLVKDONJSA-N	-1	0	298.770	3.497	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)CCCCC#N	ZINC000841633936	635203779	/nfs/dbraw/zinc/20/37/79/635203779.db2.gz	YEQQTDAURIELRZ-UHFFFAOYSA-N	-1	0	289.335	3.265	20	30		CGEDRM
Cc1c(N=NC2CCO[C@@H](C(C)C)C2)cccc1C(=O)[O-]	ZINC000844623878	635945685	/nfs/dbraw/zinc/94/56/85/635945685.db2.gz	NTYXLIQTCNPFPK-OAHLLOKOSA-N	-1	0	290.363	3.296	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1ccccc1)[C@@H](C)CC	ZINC000846539206	636196160	/nfs/dbraw/zinc/19/61/60/636196160.db2.gz	RFKZWDKOFYVNEJ-DZGCQCFKSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc(C)cc1C	ZINC000846540936	636196234	/nfs/dbraw/zinc/19/62/34/636196234.db2.gz	BYPBCGNDAPKGJW-LBPRGKRZSA-N	-1	0	265.378	3.018	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000846540587	636196408	/nfs/dbraw/zinc/19/64/08/636196408.db2.gz	BXUCDWSTWXXZQW-SNVBAGLBSA-N	-1	0	285.796	3.445	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1ccc(Cl)s1	ZINC000846544538	636196944	/nfs/dbraw/zinc/19/69/44/636196944.db2.gz	BRCIISZBGFIITE-JGVFFNPUSA-N	-1	0	259.758	3.127	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC(C)C)c1ccccc1	ZINC000846547949	636198947	/nfs/dbraw/zinc/19/89/47/636198947.db2.gz	RHBLHFUIRFGXSH-DZGCQCFKSA-N	-1	0	261.365	3.439	20	30		CGEDRM
C[C@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415313	636571267	/nfs/dbraw/zinc/57/12/67/636571267.db2.gz	LPYSJOVESSJXEW-NSHDSACASA-N	-1	0	260.337	3.292	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2CC=CCC2)cc1	ZINC000848414783	636571601	/nfs/dbraw/zinc/57/16/01/636571601.db2.gz	CZOVGKMDOWBICK-CYBMUJFWSA-N	-1	0	258.321	3.068	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000107821420	636646411	/nfs/dbraw/zinc/64/64/11/636646411.db2.gz	ISQDVWHZQVIVAQ-CYBMUJFWSA-N	-1	0	269.385	3.060	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1/N=C\c1c(O)c(C)ncc1CO	ZINC000849170501	636762161	/nfs/dbraw/zinc/76/21/61/636762161.db2.gz	MODOZMITVZZOBW-LRZFIDCISA-N	-1	0	288.391	3.142	20	30		CGEDRM
Cc1ccc(CCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086055365	636781527	/nfs/dbraw/zinc/78/15/27/636781527.db2.gz	USIWZKNYHGGIQJ-UHFFFAOYSA-N	-1	0	295.404	3.157	20	30		CGEDRM
CC(C)(C)C(F)(F)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000852997964	637727587	/nfs/dbraw/zinc/72/75/87/637727587.db2.gz	FZEKZIRORSUYBD-APSNUPSMSA-N	-1	0	286.278	3.401	20	30		CGEDRM
Cc1ccc(F)cc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000853393337	637833057	/nfs/dbraw/zinc/83/30/57/637833057.db2.gz	CNQRVPDAXQNCRR-GHMZBOCLSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000856028986	638286024	/nfs/dbraw/zinc/28/60/24/638286024.db2.gz	UWLRGPMFJHNVJJ-SNVBAGLBSA-N	-1	0	285.796	3.445	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc(Cl)cc1F	ZINC000856033850	638288676	/nfs/dbraw/zinc/28/86/76/638288676.db2.gz	UCKGUSPXKNYTPC-UHFFFAOYSA-N	-1	0	285.746	3.381	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc(F)cc2)c1	ZINC000116055635	638695449	/nfs/dbraw/zinc/69/54/49/638695449.db2.gz	QHGIXQZOZAJECB-RMKNXTFCSA-N	-1	0	270.259	3.420	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C(C)C)cc1	ZINC000042344106	639916826	/nfs/dbraw/zinc/91/68/26/639916826.db2.gz	CEXBKTXFLNUFCL-UHFFFAOYSA-N	-1	0	283.393	3.245	20	30		CGEDRM
CN(C)c1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1	ZINC000158299782	639999327	/nfs/dbraw/zinc/99/93/27/639999327.db2.gz	NFPXWPAPQPKXHD-IZZDOVSWSA-N	-1	0	295.338	3.347	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2C#N)n1	ZINC000048786638	640070374	/nfs/dbraw/zinc/07/03/74/640070374.db2.gz	XGWOJGSIOVSSAG-PSKZRQQASA-N	-1	0	293.351	3.213	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)c1	ZINC000049135127	640084141	/nfs/dbraw/zinc/08/41/41/640084141.db2.gz	PIWKUHAQIZSLAQ-LLVKDONJSA-N	-1	0	281.377	3.076	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2F)c(O)c1	ZINC001155420080	805580390	/nfs/dbraw/zinc/58/03/90/805580390.db2.gz	BICZKLDRMQUQER-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nc1	ZINC001250462342	805631244	/nfs/dbraw/zinc/63/12/44/805631244.db2.gz	WUGHORCWMWCXTO-UHFFFAOYSA-N	-1	0	280.205	3.224	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(F)c(C#N)c1	ZINC001250636192	805740484	/nfs/dbraw/zinc/74/04/84/805740484.db2.gz	VCBNLZUPEUVEID-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
Cc1nsc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001211647763	814925550	/nfs/dbraw/zinc/92/55/50/814925550.db2.gz	HOEOTRXZOBCEJA-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1	ZINC001251141375	805855408	/nfs/dbraw/zinc/85/54/08/805855408.db2.gz	OBBXEKQIPSZGNG-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
CCCCCCCCCC(=O)N[C@@H](C)c1nn(C)cc1[O-]	ZINC001158297159	805935386	/nfs/dbraw/zinc/93/53/86/805935386.db2.gz	VRELXLGMZXFGOA-ZDUSSCGKSA-N	-1	0	295.427	3.444	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccs2)c(C)c1	ZINC000046929980	798891043	/nfs/dbraw/zinc/89/10/43/798891043.db2.gz	MLBLSCIAEOBVBY-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
CCCCCCCSc1n[n-]c(=NCC)s1	ZINC000381613799	799383632	/nfs/dbraw/zinc/38/36/32/799383632.db2.gz	UDWWCFDXKJYGDG-UHFFFAOYSA-N	-1	0	259.444	3.454	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(F)nc2)c([O-])c1	ZINC000588523831	799705854	/nfs/dbraw/zinc/70/58/54/799705854.db2.gz	BCBKPHVERQBWHW-UTCJRWHESA-N	-1	0	257.264	3.131	20	30		CGEDRM
Cc1cc(Nc2cc(F)cc(C#N)c2)ccc1C(=O)[O-]	ZINC000718564206	800217351	/nfs/dbraw/zinc/21/73/51/800217351.db2.gz	CHAFVTGQXNOWRD-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\Cc3ccc(F)cc3C2=O)ccc1O	ZINC000809154297	800413613	/nfs/dbraw/zinc/41/36/13/800413613.db2.gz	RDURTAMHXMMYHG-VZUCSPMQSA-N	-1	0	298.269	3.052	20	30		CGEDRM
C[C@@H](C#N)Oc1ccccc1NC1CCC(C(=O)[O-])CC1	ZINC000840995012	800501423	/nfs/dbraw/zinc/50/14/23/800501423.db2.gz	AVRXEUSNCFZGBK-HIFPTAJRSA-N	-1	0	288.347	3.033	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\c1cc(C#N)ccn1	ZINC001117350110	802463226	/nfs/dbraw/zinc/46/32/26/802463226.db2.gz	HQPHWFPCJVTIPP-ARJAWSKDSA-N	-1	0	278.311	3.439	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(C(=O)[O-])s1	ZINC001174806034	809166811	/nfs/dbraw/zinc/16/68/11/809166811.db2.gz	PGCGZHGVMKNMEP-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
Cc1ccsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122631918	802877953	/nfs/dbraw/zinc/87/79/53/802877953.db2.gz	KXKSCTOFAPQBDW-SECBINFHSA-N	-1	0	260.293	3.081	20	30		CGEDRM
C=C(C)CCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-]	ZINC001123264774	802923925	/nfs/dbraw/zinc/92/39/25/802923925.db2.gz	VQNKCKLPLMJVGM-AWEZNQCLSA-N	-1	0	289.375	3.092	20	30		CGEDRM
N#Cc1ccc(-c2c([O-])cccc2Cl)c(C#N)c1	ZINC001244047968	803160147	/nfs/dbraw/zinc/16/01/47/803160147.db2.gz	LVWWADZXAZFLKB-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
Cc1cc(-c2cc(F)c([O-])c(F)c2)nc(C)c1C#N	ZINC001244094619	803182562	/nfs/dbraw/zinc/18/25/62/803182562.db2.gz	JPVHBOQJNHTRKT-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
COc1cc(-c2ccc(CCC(=O)[O-])cc2)cc(F)c1C#N	ZINC001244192233	803236114	/nfs/dbraw/zinc/23/61/14/803236114.db2.gz	WOKVXOVDUVRNIJ-UHFFFAOYSA-N	-1	0	299.301	3.390	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(Cl)cc1[O-])CCC2	ZINC001244467375	803384861	/nfs/dbraw/zinc/38/48/61/803384861.db2.gz	DHWXYAZAUMRLDQ-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
Cc1cc(-c2cc(F)c([O-])c(Cl)c2)ncc1C#N	ZINC001244500084	803406267	/nfs/dbraw/zinc/40/62/67/803406267.db2.gz	IQKYWMIQQXJBRN-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCc1cccnc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244610965	803464138	/nfs/dbraw/zinc/46/41/38/803464138.db2.gz	VLTDPNKNLWBXDX-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#CCc1ccnc(-c2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001244610697	803464170	/nfs/dbraw/zinc/46/41/70/803464170.db2.gz	WVPWBWGDGVHBJU-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#Cc1cc(-c2cnc(F)c(C(=O)[O-])c2)nc2ccccc12	ZINC001244753870	803520193	/nfs/dbraw/zinc/52/01/93/803520193.db2.gz	YJCCHPCDLMREAL-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1cc2ccccc2nc1-c1cc(C(=O)[O-])cnc1F	ZINC001244756675	803521328	/nfs/dbraw/zinc/52/13/28/803521328.db2.gz	GGJRYCIDMXHUNM-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1cnc(-c2cc(C)c(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001244945206	803585881	/nfs/dbraw/zinc/58/58/81/803585881.db2.gz	FZVYWVJTFYSWLO-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COc1ccc(-c2cc(C)c(C(=O)[O-])c(C)c2)nc1CC#N	ZINC001244947116	803586976	/nfs/dbraw/zinc/58/69/76/803586976.db2.gz	VBODMERQHVKPDU-UHFFFAOYSA-N	-1	0	296.326	3.138	20	30		CGEDRM
Cc1cc(-c2ccnc(C)c2C#N)cc(C)c1C(=O)[O-]	ZINC001244948463	803587941	/nfs/dbraw/zinc/58/79/41/803587941.db2.gz	CLFQZMOREQUBKT-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2cccc(C(=O)[O-])c2C)n1	ZINC001245296986	803693370	/nfs/dbraw/zinc/69/33/70/803693370.db2.gz	HBVLCXTVVNCUAO-UHFFFAOYSA-N	-1	0	284.315	3.023	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ncnc2cc(C#N)ccc21	ZINC001245297483	803694197	/nfs/dbraw/zinc/69/41/97/803694197.db2.gz	OBTWKBAQSSBOGS-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccccc1CC#N	ZINC001245302076	803696207	/nfs/dbraw/zinc/69/62/07/803696207.db2.gz	XMXYMIVNKVXONY-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccccc1C=NO	ZINC001245303100	803696326	/nfs/dbraw/zinc/69/63/26/803696326.db2.gz	IGFDNCZDZYHIQT-UHFFFAOYSA-N	-1	0	255.273	3.168	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c2c1CCC2	ZINC001137932613	803801740	/nfs/dbraw/zinc/80/17/40/803801740.db2.gz	DMKTVLVLBXSCMA-UHFFFAOYSA-N	-1	0	292.338	3.313	20	30		CGEDRM
Cc1cnc(-c2cc([O-])c(F)c(F)c2F)c(C#N)c1	ZINC001245635284	803869068	/nfs/dbraw/zinc/86/90/68/803869068.db2.gz	SQJDMLPKPNLNBC-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(Cc3cccc(F)c3)[n-]2)cc1	ZINC001245932506	804061602	/nfs/dbraw/zinc/06/16/02/804061602.db2.gz	HJPQUSNCAVKKCA-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccccc2)CC2(CCC2)C1	ZINC001140879710	804540976	/nfs/dbraw/zinc/54/09/76/804540976.db2.gz	MVSHEZOKBNYHID-UHFFFAOYSA-N	-1	0	271.360	3.122	20	30		CGEDRM
C=CCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1	ZINC001140947445	804556438	/nfs/dbraw/zinc/55/64/38/804556438.db2.gz	OEBDZOBWLYWPQK-UHFFFAOYSA-N	-1	0	271.316	3.166	20	30		CGEDRM
N#Cc1ccc(NC(=O)Cc2ccc(Cl)s2)c(O)c1	ZINC001142244444	804706749	/nfs/dbraw/zinc/70/67/49/804706749.db2.gz	IIUJNZJKRGGSAC-UHFFFAOYSA-N	-1	0	292.747	3.160	20	30		CGEDRM
C=CCCCNC(=S)Nc1ccccc1[S-]	ZINC001247743516	804813155	/nfs/dbraw/zinc/81/31/55/804813155.db2.gz	GUCHIKMYNGZJGE-UHFFFAOYSA-N	-1	0	252.408	3.228	20	30		CGEDRM
CC(C)(C#N)C(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC001143401475	804849812	/nfs/dbraw/zinc/84/98/12/804849812.db2.gz	NUYFAPXFXPRTOL-UHFFFAOYSA-N	-1	0	277.374	3.073	20	30		CGEDRM
COc1c(C)cccc1Nc1scc([O-])c1C#N	ZINC001248517261	804940416	/nfs/dbraw/zinc/94/04/16/804940416.db2.gz	PNFWKGOJMQDAIU-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
C#Cc1cccnc1Nc1ccc(C(=O)[O-])cc1Cl	ZINC001248545194	804947110	/nfs/dbraw/zinc/94/71/10/804947110.db2.gz	ODGMELZBVXGULS-UHFFFAOYSA-N	-1	0	272.691	3.158	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])c(C)cc1CO	ZINC001250064149	805399069	/nfs/dbraw/zinc/39/90/69/805399069.db2.gz	XMQMFQBTUUGCBL-UHFFFAOYSA-N	-1	0	286.306	3.256	20	30		CGEDRM
CC(=O)c1ccc(F)c(C=C([O-])c2ccc(C#N)cc2)c1F	ZINC001250208989	805491345	/nfs/dbraw/zinc/49/13/45/805491345.db2.gz	GPTVWFMRVPLILJ-UHFFFAOYSA-N	-1	0	299.276	3.464	20	30		CGEDRM
N#Cc1cc(-c2nnc(CC3CCCC3)o2)ccc1[O-]	ZINC001258695101	807550110	/nfs/dbraw/zinc/55/01/10/807550110.db2.gz	IZQORGNQIOFUSW-UHFFFAOYSA-N	-1	0	269.304	3.047	20	30		CGEDRM
COc1cc(Nc2cccc(C#N)c2)ccc1C(=O)[O-]	ZINC001174684185	809130211	/nfs/dbraw/zinc/13/02/11/809130211.db2.gz	ZDJFNLXBSVAMHF-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cccc(F)c1C#N	ZINC001174982137	809224449	/nfs/dbraw/zinc/22/44/49/809224449.db2.gz	LXWGDXRZWBEPQG-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cc(C(=O)[O-])ccc2C)c1	ZINC001174981786	809225127	/nfs/dbraw/zinc/22/51/27/809225127.db2.gz	HCQFDIQNABCCPB-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175220174	809312797	/nfs/dbraw/zinc/31/27/97/809312797.db2.gz	LQYUVBLEWRDPHI-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C=CCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001297621936	809520652	/nfs/dbraw/zinc/52/06/52/809520652.db2.gz	LZRIJVWFUUYUSG-UHFFFAOYSA-N	-1	0	292.335	3.167	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(C=C[N+](=O)[O-])cc1	ZINC001175901603	809568053	/nfs/dbraw/zinc/56/80/53/809568053.db2.gz	UYTZGPJUUKWOMB-AATRIKPKSA-N	-1	0	287.300	3.316	20	30		CGEDRM
N#Cc1cc(Nc2cccc3c2OCC3)c([O-])cc1F	ZINC001176080102	809617046	/nfs/dbraw/zinc/61/70/46/809617046.db2.gz	XXIJBPZBRSXHSP-UHFFFAOYSA-N	-1	0	270.263	3.081	20	30		CGEDRM
COc1cc(Nc2c(F)cccc2C#N)cc(C(=O)[O-])c1	ZINC001213590664	815307308	/nfs/dbraw/zinc/30/73/08/815307308.db2.gz	DUXPSGACVWSYCD-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#CCOc1ccc(Nc2csc(C(=O)[O-])c2)cc1	ZINC001176439252	809698639	/nfs/dbraw/zinc/69/86/39/809698639.db2.gz	PVRKWISZIJUBDO-UHFFFAOYSA-N	-1	0	273.313	3.202	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1O	ZINC001176589057	809724853	/nfs/dbraw/zinc/72/48/53/809724853.db2.gz	USWGWPIXBCBHDS-UHFFFAOYSA-N	-1	0	294.310	3.124	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001176590680	809725464	/nfs/dbraw/zinc/72/54/64/809725464.db2.gz	QLCWSZNDXJKSAX-UHFFFAOYSA-N	-1	0	293.326	3.000	20	30		CGEDRM
N#Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)ccc1O	ZINC001213632111	815314700	/nfs/dbraw/zinc/31/47/00/815314700.db2.gz	WBATVPLGWMUASI-UHFFFAOYSA-N	-1	0	282.299	3.025	20	30		CGEDRM
N#Cc1cc(NC(=O)Cc2occ3ccccc32)ccc1O	ZINC001182502512	810112584	/nfs/dbraw/zinc/11/25/84/810112584.db2.gz	JSKHYBGWDPTARH-UHFFFAOYSA-N	-1	0	292.294	3.191	20	30		CGEDRM
CC(C)CCC[C@H](C)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246297	810184987	/nfs/dbraw/zinc/18/49/87/810184987.db2.gz	OJZQPEXNVKGBHG-AWEZNQCLSA-N	-1	0	276.400	3.367	20	30		CGEDRM
N#Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccco1	ZINC001186851608	810364790	/nfs/dbraw/zinc/36/47/90/810364790.db2.gz	FZYAVOFBMVZWNQ-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2ccc(F)c(F)c2[O-])cc1F	ZINC001192810794	810820987	/nfs/dbraw/zinc/82/09/87/810820987.db2.gz	LTKRJHZQJKEZCG-UHFFFAOYSA-N	-1	0	291.228	3.043	20	30		CGEDRM
C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(C#N)c2)CC(C)(C)C1	ZINC001193516129	810901915	/nfs/dbraw/zinc/90/19/15/810901915.db2.gz	ZSFBEJWUHFXTFI-RISCZKNCSA-N	-1	0	286.375	3.208	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cc(C3CCCC3)no2)c([O-])c1	ZINC001195733478	811283956	/nfs/dbraw/zinc/28/39/56/811283956.db2.gz	PNUOXLNLLBPDPQ-UHFFFAOYSA-N	-1	0	297.314	3.162	20	30		CGEDRM
C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2[O-])c2ccccc21	ZINC001195764868	811289594	/nfs/dbraw/zinc/28/95/94/811289594.db2.gz	SNCDYKLSDAGTAC-MEDUHNTESA-N	-1	0	292.338	3.242	20	30		CGEDRM
Cc1coc([N-]C(=O)c2c(C)noc2C(F)(F)F)c1C#N	ZINC001197592225	811432569	/nfs/dbraw/zinc/43/25/69/811432569.db2.gz	FJGBOHLIYSCLQP-UHFFFAOYSA-N	-1	0	299.208	3.027	20	30		CGEDRM
COCOc1c(C)cccc1Nc1scc([O-])c1C#N	ZINC001214846806	815456083	/nfs/dbraw/zinc/45/60/83/815456083.db2.gz	PAROYKNLZIADFG-UHFFFAOYSA-N	-1	0	290.344	3.360	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)s1	ZINC001199802761	811599442	/nfs/dbraw/zinc/59/94/42/811599442.db2.gz	YAFPBICMLAPGCQ-UHFFFAOYSA-N	-1	0	275.289	3.286	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292828	812296108	/nfs/dbraw/zinc/29/61/08/812296108.db2.gz	LVUQVAPGGSBZOK-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1c([O-])csc1NC=Cc1ccc(C#N)cc1	ZINC001203298637	812298555	/nfs/dbraw/zinc/29/85/55/812298555.db2.gz	PKWUDKSVSLCVKF-AATRIKPKSA-N	-1	0	267.313	3.280	20	30		CGEDRM
N#Cc1sccc1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203319864	812309930	/nfs/dbraw/zinc/30/99/30/812309930.db2.gz	YCOVVLXYSGSXAA-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cs1	ZINC001203323470	812312646	/nfs/dbraw/zinc/31/26/46/812312646.db2.gz	QWZHUJXEYHJTDM-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(C#N)c(F)c2)c([O-])cc1F	ZINC001203681974	812427759	/nfs/dbraw/zinc/42/77/59/812427759.db2.gz	YWYISFIPRNFMHT-UHFFFAOYSA-N	-1	0	289.216	3.296	20	30		CGEDRM
Cc1c(F)cccc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1	ZINC001204642316	812698672	/nfs/dbraw/zinc/69/86/72/812698672.db2.gz	CRFNXULIFVGTIN-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
CCc1nnc(-c2cc(F)c([O-])cc2F)c(C#N)c1CC	ZINC001206775628	813435279	/nfs/dbraw/zinc/43/52/79/813435279.db2.gz	DEZNWJHELATDEY-UHFFFAOYSA-N	-1	0	289.285	3.124	20	30		CGEDRM
N#CCc1cccc(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209890837	814190605	/nfs/dbraw/zinc/19/06/05/814190605.db2.gz	YDALPLIQCUQAKM-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1cccc(C(=O)[O-])c1F	ZINC001210242402	814362043	/nfs/dbraw/zinc/36/20/43/814362043.db2.gz	QPCPDPXXUANKGF-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C#Cc1cccc(Nc2cc(C(=O)[O-])ccc2OC)c1	ZINC001210255749	814369369	/nfs/dbraw/zinc/36/93/69/814369369.db2.gz	ZYMLEOZSKXKGAV-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
CC(C)Oc1cnc(F)c(Nc2scc([O-])c2C#N)c1	ZINC001215781244	815587795	/nfs/dbraw/zinc/58/77/95/815587795.db2.gz	PBLYMOUYKWGNFS-UHFFFAOYSA-N	-1	0	293.323	3.390	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)c(F)cc2[O-])cc([N+](=O)[O-])c1	ZINC001211333736	814881213	/nfs/dbraw/zinc/88/12/13/814881213.db2.gz	YBQNPGPMLRSXJV-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
COc1nc(C)c(-c2cc(F)c([O-])cc2F)c(C)c1C#N	ZINC001211338760	814882209	/nfs/dbraw/zinc/88/22/09/814882209.db2.gz	JDLXXQIHWHEUEZ-UHFFFAOYSA-N	-1	0	290.269	3.230	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cc(F)c([O-])cc3F)cc12	ZINC001211352720	814884586	/nfs/dbraw/zinc/88/45/86/814884586.db2.gz	OCNMXIRYTMGZKH-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
CC(=O)c1cccc(Nc2scc([O-])c2C#N)c1F	ZINC001216498860	815843081	/nfs/dbraw/zinc/84/30/81/815843081.db2.gz	QRUIMIBRFQJZML-UHFFFAOYSA-N	-1	0	276.292	3.411	20	30		CGEDRM
N#Cc1c[nH]c2ccc(-c3ccccc3C(=O)[O-])cc12	ZINC001242877406	823161600	/nfs/dbraw/zinc/16/16/00/823161600.db2.gz	CWSHHFNQGDZITP-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
CCOC(=O)c1cnc(-c2cccc([S-])c2)c(C#N)c1	ZINC001242863754	823157214	/nfs/dbraw/zinc/15/72/14/823157214.db2.gz	IHUFHFIYDHTINW-UHFFFAOYSA-N	-1	0	284.340	3.086	20	30		CGEDRM
Cc1nsc(Nc2cccc(C(=O)[O-])c2C)c1C#N	ZINC001216658393	815886961	/nfs/dbraw/zinc/88/69/61/815886961.db2.gz	AZYZBAOKTXAPQM-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cccc(C(=O)[O-])c1C	ZINC001216661932	815888766	/nfs/dbraw/zinc/88/87/66/815888766.db2.gz	UYIAJEHOXXIBLI-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)c(F)c1	ZINC001216683392	815893961	/nfs/dbraw/zinc/89/39/61/815893961.db2.gz	OEORGZYJRWWQTF-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccccc1CS	ZINC001242924530	823173619	/nfs/dbraw/zinc/17/36/19/823173619.db2.gz	TXOJSVMEQUGGDP-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
CCOc1ccc(-c2cccc(/C=N/O)c2)c(C)n1	ZINC001222110850	816349555	/nfs/dbraw/zinc/34/95/55/816349555.db2.gz	UEMYKRHGMRBGNR-MHWRWJLKSA-N	-1	0	256.305	3.264	20	30		CGEDRM
CC[C@@H](C)[C@@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893425	816699171	/nfs/dbraw/zinc/69/91/71/816699171.db2.gz	VBZHUJOXSWYURD-AOGBOPSGSA-N	-1	0	281.352	3.291	20	30		CGEDRM
CCCCCCCC[C@@H](C)OCCCS(=O)(=O)[O-]	ZINC001224900453	816905461	/nfs/dbraw/zinc/90/54/61/816905461.db2.gz	UUCOEUCIARIPHC-CYBMUJFWSA-N	-1	0	280.430	3.420	20	30		CGEDRM
C=CC[C@@H](CCCC)OCCCC[P@@](=O)([O-])O	ZINC001225018764	816932298	/nfs/dbraw/zinc/93/22/98/816932298.db2.gz	HGXKDODUMJTKRZ-LBPRGKRZSA-N	-1	0	264.302	3.096	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccccc2F)[nH]1	ZINC001225467503	817060737	/nfs/dbraw/zinc/06/07/37/817060737.db2.gz	RWKNWZNFZARNMF-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225494435	817075153	/nfs/dbraw/zinc/07/51/53/817075153.db2.gz	RTHSQARWAWYZPQ-MRVPVSSYSA-N	-1	0	271.338	3.166	20	30		CGEDRM
C=CCC[C@H](CC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225624324	817116496	/nfs/dbraw/zinc/11/64/96/817116496.db2.gz	ARZWKZSXOQXBJQ-JTQLQIEISA-N	-1	0	251.282	3.424	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1[n-]c(=O)ncc1F	ZINC001225884561	817205366	/nfs/dbraw/zinc/20/53/66/817205366.db2.gz	HQBPEMRQZHIACD-SNVBAGLBSA-N	-1	0	254.305	3.225	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(C)[n-]c(=O)c2F)C1	ZINC001226418813	817350836	/nfs/dbraw/zinc/35/08/36/817350836.db2.gz	DBMDZQQEQFOOFQ-NWDGAFQWSA-N	-1	0	278.327	3.310	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)C(C)C	ZINC001226553097	817395526	/nfs/dbraw/zinc/39/55/26/817395526.db2.gz	HDGCNJLPMRNUSV-JTQLQIEISA-N	-1	0	293.754	3.363	20	30		CGEDRM
C=C[C@H](CCCC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111227	817561012	/nfs/dbraw/zinc/56/10/12/817561012.db2.gz	FPFVMZCJGFMAEK-SECBINFHSA-N	-1	0	256.733	3.268	20	30		CGEDRM
Cc1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1C(=O)[O-]	ZINC001243196588	823286236	/nfs/dbraw/zinc/28/62/36/823286236.db2.gz	ZXARIMQTLXMVRW-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
CCCCCCC[C@@H](CC)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310769	817872985	/nfs/dbraw/zinc/87/29/85/817872985.db2.gz	IOSHCOGWFVVCFR-LLVKDONJSA-N	-1	0	283.372	3.109	20	30		CGEDRM
C=CC[C@H](CCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231225546	818061288	/nfs/dbraw/zinc/06/12/88/818061288.db2.gz	ZKXYZJPDLBCMDL-SECBINFHSA-N	-1	0	296.279	3.332	20	30		CGEDRM
C[C@@H](C#N)N(C)Cc1ccccc1-c1ccccc1C(=O)[O-]	ZINC001231680505	818156790	/nfs/dbraw/zinc/15/67/90/818156790.db2.gz	CFKNDVUWTHIFRG-ZDUSSCGKSA-N	-1	0	294.354	3.396	20	30		CGEDRM
N#CC1CCN(Cc2ccc(Cl)c([O-])c2Cl)CC1	ZINC001232623687	818403095	/nfs/dbraw/zinc/40/30/95/818403095.db2.gz	DUHYNNQPSGUIEM-UHFFFAOYSA-N	-1	0	285.174	3.435	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243324182	823347632	/nfs/dbraw/zinc/34/76/32/823347632.db2.gz	MUCMRMFJWDAMCI-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
CC(C)C(Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)C	ZINC001234511632	818870726	/nfs/dbraw/zinc/87/07/26/818870726.db2.gz	STOZSMGERMJPGF-UHFFFAOYSA-N	-1	0	285.347	3.266	20	30		CGEDRM
C=C[C@H](C)Oc1[n-]c2sccc2c(=O)c1C(=O)OCC	ZINC001234599844	818888768	/nfs/dbraw/zinc/88/87/68/818888768.db2.gz	VKXFZWPCLVBGIP-QMMMGPOBSA-N	-1	0	293.344	3.132	20	30		CGEDRM
Cc1cc(=O)c2c(OC3CCC(C#N)CC3)cc([O-])cc2o1	ZINC001234815160	818925769	/nfs/dbraw/zinc/92/57/69/818925769.db2.gz	UGGQMFFWXKQRFO-UHFFFAOYSA-N	-1	0	299.326	3.268	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C=CC(=O)[O-])cc3)c1-2	ZINC001235148866	819016378	/nfs/dbraw/zinc/01/63/78/819016378.db2.gz	GZSJCIIXNRRTRI-ZZXKWVIFSA-N	-1	0	289.294	3.199	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2c(F)cc(F)c(O)c2F)c1	ZINC001236003020	819269239	/nfs/dbraw/zinc/26/92/39/819269239.db2.gz	YPGPCRPJUQIDFY-BLLMUTORSA-N	-1	0	285.196	3.424	20	30		CGEDRM
N#CCc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)cn1	ZINC001236159295	819350358	/nfs/dbraw/zinc/35/03/58/819350358.db2.gz	SSVIDNCEYNJKKK-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1ccc(C(F)(F)F)cc1[O-]	ZINC001243607310	823465655	/nfs/dbraw/zinc/46/56/55/823465655.db2.gz	AAYNCZCHIYJIDM-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
O=C([O-])/C=C/c1cccc(-c2cc(/C=N/O)ccc2F)c1	ZINC001240550543	821136982	/nfs/dbraw/zinc/13/69/82/821136982.db2.gz	FOHLANVXKZXVII-BYOWTBIBSA-N	-1	0	285.274	3.399	20	30		CGEDRM
COc1cc(-c2cccc3[nH]c(C#N)cc32)ccc1C(=O)[O-]	ZINC001240743173	821294554	/nfs/dbraw/zinc/29/45/54/821294554.db2.gz	GXEJYFCAADLUFX-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
COc1cc(-c2ccc3c(c2)CC/C3=N/O)ccc1C(=O)[O-]	ZINC001240745887	821296869	/nfs/dbraw/zinc/29/68/69/821296869.db2.gz	MVKQHTDZTVDMMU-SDXDJHTJSA-N	-1	0	297.310	3.185	20	30		CGEDRM
Cc1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)n(C)n1	ZINC001240860088	821375456	/nfs/dbraw/zinc/37/54/56/821375456.db2.gz	UOFJRSFYXLJFKD-REZTVBANSA-N	-1	0	283.253	3.222	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240973059	821457555	/nfs/dbraw/zinc/45/75/55/821457555.db2.gz	CSHFCQAWROCBAF-UHFFFAOYSA-N	-1	0	285.274	3.022	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc2cc[nH]c2nc1C#N	ZINC001241002015	821480771	/nfs/dbraw/zinc/48/07/71/821480771.db2.gz	OSJIZUXTUODXJD-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(F)c2)c(C#N)c(C)c1C	ZINC001241186038	821623991	/nfs/dbraw/zinc/62/39/91/821623991.db2.gz	WZSJCLNLAQHRTQ-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccc(F)c(C(=O)[O-])c2)cn1	ZINC001241245287	821667142	/nfs/dbraw/zinc/66/71/42/821667142.db2.gz	CXKSYUMMFKDMMC-UHFFFAOYSA-N	-1	0	284.290	3.387	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2c(F)ccc([O-])c2F)c1	ZINC001241292848	821711403	/nfs/dbraw/zinc/71/14/03/821711403.db2.gz	KIDVWVJSBZJOID-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(Cl)c2)ccc1CC#N	ZINC001241348100	821752278	/nfs/dbraw/zinc/75/22/78/821752278.db2.gz	ZLDILQGQELHTDU-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
Cc1nccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC001241351125	821752578	/nfs/dbraw/zinc/75/25/78/821752578.db2.gz	YZFFFEXEQQCNQC-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#Cc1ccc2cc(-c3cccc(C(=O)[O-])c3)ccc2n1	ZINC001241360037	821761178	/nfs/dbraw/zinc/76/11/78/821761178.db2.gz	BATKGCYLXFEGEN-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#CCc1ccc(F)c(-c2cccc(C(=O)[O-])c2)c1	ZINC001241360934	821761928	/nfs/dbraw/zinc/76/19/28/821761928.db2.gz	VSVAVTOOACQBEK-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
O=C([O-])c1cc(F)cc(-c2cc(/C=N/O)ccc2F)c1	ZINC001241835993	822171300	/nfs/dbraw/zinc/17/13/00/822171300.db2.gz	ZZHSNBANPMZRED-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
COc1ccc(-c2ccc(OC)c(C(=O)[O-])c2)cc1CC#N	ZINC001241868326	822187361	/nfs/dbraw/zinc/18/73/61/822187361.db2.gz	DXXPZEGRGDEAQH-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
N#Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(C#N)c1	ZINC001242151864	822896213	/nfs/dbraw/zinc/89/62/13/822896213.db2.gz	WPWSYZQSOXCXHH-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
N#Cc1cc2ccccc2nc1-c1cccc(CC(=O)[O-])c1	ZINC001242260374	822929321	/nfs/dbraw/zinc/92/93/21/822929321.db2.gz	RCKCNJDWDJBHBU-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cccc(Cl)c1[O-]	ZINC001242366613	822968720	/nfs/dbraw/zinc/96/87/20/822968720.db2.gz	BMBNJDRRIUNRTI-UHFFFAOYSA-N	-1	0	269.691	3.412	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2F)cc1CC#N	ZINC001242379183	822974467	/nfs/dbraw/zinc/97/44/67/822974467.db2.gz	HPLHWHYPXROZEL-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2F)cc1F	ZINC001242379527	822974581	/nfs/dbraw/zinc/97/45/81/822974581.db2.gz	UBZIDLJWPNMIJT-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001344051095	936524196	/nfs/dbraw/zinc/52/41/96/936524196.db2.gz	PLNHVBYKNDXLJD-JTQLQIEISA-N	-1	0	287.294	3.131	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O	ZINC001352110698	937036857	/nfs/dbraw/zinc/03/68/57/937036857.db2.gz	QTJMLQMQJSKCIZ-GFCCVEGCSA-N	-1	0	260.724	3.010	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ncccc2C)n1	ZINC000588456844	926764083	/nfs/dbraw/zinc/76/40/83/926764083.db2.gz	OCUGLNHVPNVOBW-FOQNGQEVSA-N	-1	0	283.356	3.045	20	30		CGEDRM
CC(C)c1ncsc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001447065338	937367162	/nfs/dbraw/zinc/36/71/62/937367162.db2.gz	REDXPRMEJRPFKJ-UHFFFAOYSA-N	-1	0	287.344	3.096	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1cc2ccccc2o1	ZINC001452741456	937398071	/nfs/dbraw/zinc/39/80/71/937398071.db2.gz	WYACILPBUGPYAB-GHMZBOCLSA-N	-1	0	259.305	3.159	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885415	932635611	/nfs/dbraw/zinc/63/56/11/932635611.db2.gz	KGINOCWMJPGJIL-CABZTGNLSA-N	-1	0	288.734	3.170	20	30		CGEDRM
C=CCN(C(=O)Cc1ccc(O)c(F)c1)c1ccccc1	ZINC001468643733	937730276	/nfs/dbraw/zinc/73/02/76/937730276.db2.gz	DULHPAGYGBRFCC-UHFFFAOYSA-N	-1	0	285.318	3.293	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2C=CCCC2)c1[O-]	ZINC001323771087	934424044	/nfs/dbraw/zinc/42/40/44/934424044.db2.gz	KQMYTMHBESLYCI-LWHXSLQUSA-N	-1	0	280.711	3.481	20	30		CGEDRM
CCc1ccc(C([O-])=C(C#N)c2cccc(F)n2)s1	ZINC001516711164	938009416	/nfs/dbraw/zinc/00/94/16/938009416.db2.gz	RXYMGGYQHRTWAK-SNVBAGLBSA-N	-1	0	274.320	3.335	20	30		CGEDRM
O=C(c1cccc(F)c1[O-])N(O)Cc1ccccc1Cl	ZINC001559034217	938219099	/nfs/dbraw/zinc/21/90/99/938219099.db2.gz	QQMZFBSFOXJMBR-UHFFFAOYSA-N	-1	0	295.697	3.216	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC000109048506	949215177	/nfs/dbraw/zinc/21/51/77/949215177.db2.gz	NRWMBACRCMQGEE-MRXNPFEDSA-N	-1	0	283.412	3.450	20	30		CGEDRM
N#CCc1cccc(NCc2ccc(C(=O)[O-])s2)c1	ZINC000313473056	950791283	/nfs/dbraw/zinc/79/12/83/950791283.db2.gz	FGMBRPWMDNRXPT-UHFFFAOYSA-N	-1	0	272.329	3.124	20	30		CGEDRM
C=CCCCCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000386498132	972059209	/nfs/dbraw/zinc/05/92/09/972059209.db2.gz	PRTGJVJFRSHNII-UHFFFAOYSA-N	-1	0	293.323	3.236	20	30		CGEDRM
N#Cc1cnc2c(Cl)cccc2c1SCCC(=O)[O-]	ZINC001594633910	956359840	/nfs/dbraw/zinc/35/98/40/956359840.db2.gz	ZAMPVMSPKFCYFB-UHFFFAOYSA-N	-1	0	292.747	3.327	20	30		CGEDRM
N#Cc1cccc(COc2cc(Cl)ccc2C(=O)[O-])c1	ZINC000042318949	957408978	/nfs/dbraw/zinc/40/89/78/957408978.db2.gz	CAMUERKZNMGGGS-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(C)c1C#N	ZINC001594280715	957737878	/nfs/dbraw/zinc/73/78/78/957737878.db2.gz	CMSSBJYGDWEMHM-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000118609396	958464865	/nfs/dbraw/zinc/46/48/65/958464865.db2.gz	HKJWXBKUBCNFCW-QWHCGFSZSA-N	-1	0	269.385	3.059	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC#Cc1ccccc1Cl	ZINC001594213371	959306782	/nfs/dbraw/zinc/30/67/82/959306782.db2.gz	BPHAHJGQMGSVBV-IUODEOHRSA-N	-1	0	291.778	3.019	20	30		CGEDRM
O=C([O-])COc1ccc(C(=O)/C=C\c2ccsc2)cc1	ZINC000213654376	959723156	/nfs/dbraw/zinc/72/31/56/959723156.db2.gz	ZKDDAQIOTNZQEN-BHQIHCQQSA-N	-1	0	288.324	3.108	20	30		CGEDRM
N#Cc1ccc(-c2ccc3c(c2)NC(=S)C3)c(N)c1	ZINC001244093587	960418312	/nfs/dbraw/zinc/41/83/12/960418312.db2.gz	JYISPQHABLKHCS-UHFFFAOYSA-N	-1	0	265.341	3.103	20	30		CGEDRM
C[C@@H](CC(C)(C)C#N)Nc1cccc(CCC(=O)[O-])c1	ZINC001573574715	962271191	/nfs/dbraw/zinc/27/11/91/962271191.db2.gz	QYZLKHFKBOKVBH-LBPRGKRZSA-N	-1	0	274.364	3.444	20	30		CGEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001573348496	962958407	/nfs/dbraw/zinc/95/84/07/962958407.db2.gz	XPHSRDXQDRAOON-OAHLLOKOSA-N	-1	0	282.295	3.469	20	30		CGEDRM
C=CCC(CC=C)C(=O)O[C@H](C(=O)[O-])c1ccsc1	ZINC001588737898	963157782	/nfs/dbraw/zinc/15/77/82/963157782.db2.gz	UUNZVCYOASKFTP-LBPRGKRZSA-N	-1	0	280.345	3.185	20	30		CGEDRM
C=C(C)CCSCc1ccc(-c2nn[nH]n2)c(C)c1	ZINC001588424171	963266753	/nfs/dbraw/zinc/26/67/53/963266753.db2.gz	GSTYXIBKJLPYRT-UHFFFAOYSA-N	-1	0	274.393	3.375	20	30		CGEDRM
C#C[C@H](N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)C(C)C	ZINC001588376379	963267243	/nfs/dbraw/zinc/26/72/43/963267243.db2.gz	DEUMSRZMJQNFHJ-QWHCGFSZSA-N	-1	0	299.292	3.079	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001588456927	963276501	/nfs/dbraw/zinc/27/65/01/963276501.db2.gz	AYRRHPKIDDBYAI-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCCC1(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)CCCC1	ZINC001588456935	963279178	/nfs/dbraw/zinc/27/91/78/963279178.db2.gz	BTTLWCFMGPFWCI-QGZVFWFLSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC001588559812	963284546	/nfs/dbraw/zinc/28/45/46/963284546.db2.gz	UIUFFHFYJOAEBH-UHFFFAOYSA-N	-1	0	285.702	3.472	20	30		CGEDRM
C=C(C)CNc1nc(C(CC)(CC)C(=O)[O-])cs1	ZINC001588570044	963285054	/nfs/dbraw/zinc/28/50/54/963285054.db2.gz	UHNGLAKLJWVVAF-UHFFFAOYSA-N	-1	0	268.382	3.274	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1cc(Cl)ccc1F	ZINC001588630634	963289761	/nfs/dbraw/zinc/28/97/61/963289761.db2.gz	UQDVZBUPHRDEPU-SECBINFHSA-N	-1	0	299.729	3.077	20	30		CGEDRM
C=C(Cl)CNCc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001588643175	963291059	/nfs/dbraw/zinc/29/10/59/963291059.db2.gz	AGTAEBPHAOTDBA-UHFFFAOYSA-N	-1	0	291.734	3.487	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2ccc[nH]2)cc1	ZINC001588629698	963291403	/nfs/dbraw/zinc/29/14/03/963291403.db2.gz	QUGVGKNFYXPQDG-UHFFFAOYSA-N	-1	0	284.315	3.041	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC2(CCCCC2)[C@H]1C(C)C	ZINC001588614372	963292010	/nfs/dbraw/zinc/29/20/10/963292010.db2.gz	SIOJNCZPSXQQFQ-OAHLLOKOSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC001588605313	963295192	/nfs/dbraw/zinc/29/51/92/963295192.db2.gz	HCJFRSWRMMLZTC-UHFFFAOYSA-N	-1	0	288.347	3.048	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588681864	963296694	/nfs/dbraw/zinc/29/66/94/963296694.db2.gz	FPXQEQGCGJAXNN-CYBMUJFWSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C[C@H](C(=O)N[C@H](CCCCC)C(=O)[O-])c1ccccc1	ZINC001588664186	963298703	/nfs/dbraw/zinc/29/87/03/963298703.db2.gz	OAKWBPACKZJTJV-LSDHHAIUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CC(C)(C)C(=O)OCc1cc(C(=O)[O-])sc1C	ZINC001588671550	963299430	/nfs/dbraw/zinc/29/94/30/963299430.db2.gz	DTXZAPUADXZKHL-UHFFFAOYSA-N	-1	0	268.334	3.010	20	30		CGEDRM
C=C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-]	ZINC001588692598	963300062	/nfs/dbraw/zinc/30/00/62/963300062.db2.gz	FPRVVXCVHQOBFH-UPONEAKYSA-N	-1	0	292.137	3.422	20	30		CGEDRM
C=C[C@@H](N[C@@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-]	ZINC001588693274	963305486	/nfs/dbraw/zinc/30/54/86/963305486.db2.gz	VNHUXMNACAERKA-GXFFZTMASA-N	-1	0	289.331	3.040	20	30		CGEDRM
C=C[C@H](Nc1cc(C(C)(C)C)ccc1OC)C(=O)[O-]	ZINC001588701831	963306824	/nfs/dbraw/zinc/30/68/24/963306824.db2.gz	AKBZSVCDWCRNQX-NSHDSACASA-N	-1	0	263.337	3.044	20	30		CGEDRM
C=CC[C@@H](Sc1nc(C)c(C)n1CCCC)C(=O)[O-]	ZINC001588759704	963308165	/nfs/dbraw/zinc/30/81/65/963308165.db2.gz	ZFLLTFOLRKAZIW-GFCCVEGCSA-N	-1	0	282.409	3.421	20	30		CGEDRM
C=CC[C@@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-]	ZINC001588762057	963309034	/nfs/dbraw/zinc/30/90/34/963309034.db2.gz	FYZFVTFBQSOZHO-LLVKDONJSA-N	-1	0	290.344	3.166	20	30		CGEDRM
C=CC[C@H](Sc1nnc(-c2ccccc2C)o1)C(=O)[O-]	ZINC001588762060	963310630	/nfs/dbraw/zinc/31/06/30/963310630.db2.gz	FYZFVTFBQSOZHO-NSHDSACASA-N	-1	0	290.344	3.166	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588782662	963318416	/nfs/dbraw/zinc/31/84/16/963318416.db2.gz	YPYMAKKXSOTZCH-AWEZNQCLSA-N	-1	0	291.322	3.095	20	30		CGEDRM
C=CCCCN(CC)C(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001588801351	963321654	/nfs/dbraw/zinc/32/16/54/963321654.db2.gz	KFKSOQNRWLIPRI-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H](C)COC	ZINC001588829188	963321952	/nfs/dbraw/zinc/32/19/52/963321952.db2.gz	HSCSWYRMDZSYOO-LLVKDONJSA-N	-1	0	297.782	3.061	20	30		CGEDRM
C[C@@H](C#N)CN(C)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001589328629	963983582	/nfs/dbraw/zinc/98/35/82/963983582.db2.gz	FCYOXJLZJZKIBF-LBPRGKRZSA-N	-1	0	298.342	3.236	20	30		CGEDRM
CC(C)(C#N)CC(=O)Nc1c(C(=O)[O-])ccc2ccccc21	ZINC001589554208	964002463	/nfs/dbraw/zinc/00/24/63/964002463.db2.gz	XVFFGVAFMICONE-UHFFFAOYSA-N	-1	0	296.326	3.416	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000393751560	972635686	/nfs/dbraw/zinc/63/56/86/972635686.db2.gz	VZOABHUOHRYBRH-SECBINFHSA-N	-1	0	280.299	3.000	20	30		CGEDRM
C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(OCC#N)cc1	ZINC001592446245	978123140	/nfs/dbraw/zinc/12/31/40/978123140.db2.gz	VEKGWQHOBQJWHG-LBPRGKRZSA-N	-1	0	290.363	3.280	20	30		CGEDRM
CCCC[C@@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001595634370	981886859	/nfs/dbraw/zinc/88/68/59/981886859.db2.gz	MTIUJQRJDZWSCI-SHLUWWQESA-N	-1	0	269.728	3.108	20	30		CGEDRM
CC(C)(CCN=Nc1ccc(OC(F)F)cc1)C(=O)[O-]	ZINC001590654753	990349127	/nfs/dbraw/zinc/34/91/27/990349127.db2.gz	SZVIYHOVEVFTLR-UHFFFAOYSA-N	-1	0	286.278	3.187	20	30		CGEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C/c1ccoc1C(=O)[O-]	ZINC001594120569	998271720	/nfs/dbraw/zinc/27/17/20/998271720.db2.gz	PFMHJQUTFFDBRA-TVNQGELYSA-N	-1	0	268.268	3.361	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2cccc(C(=O)[O-])c2F)C1	ZINC001594293067	999130236	/nfs/dbraw/zinc/13/02/36/999130236.db2.gz	WKQJSMYNAZAWBV-MRVPVSSYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001594352894	999336825	/nfs/dbraw/zinc/33/68/25/999336825.db2.gz	UGMHPILGZOZPMO-WDEREUQCSA-N	-1	0	273.336	3.032	20	30		CGEDRM
Cc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1C(=O)[O-]	ZINC000591270368	346912960	/nfs/dbraw/zinc/91/29/60/346912960.db2.gz	BNSLIEFPONUOSD-RYUDHWBXSA-N	-1	0	258.321	3.188	20	30		CGEDRM
CCc1ccsc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000066506532	345297982	/nfs/dbraw/zinc/29/79/82/345297982.db2.gz	JTUSJDPEOQVBQD-GFCCVEGCSA-N	-1	0	285.372	3.207	20	30		CGEDRM
N#CC(=C([O-])c1ncoc1-c1ccccc1)c1ccccn1	ZINC000112148846	345953083	/nfs/dbraw/zinc/95/30/83/345953083.db2.gz	CGZVVTRTPKHDSA-ZDUSSCGKSA-N	-1	0	289.294	3.227	20	30		CGEDRM
N#Cc1ccc(NCC2(C(=O)[O-])CCC2)cc1C(F)(F)F	ZINC000166677649	346186783	/nfs/dbraw/zinc/18/67/83/346186783.db2.gz	ZIAODYRQFYFAPY-UHFFFAOYSA-N	-1	0	298.264	3.244	20	30		CGEDRM
Cc1cc(-c2ccc(N3CC(C(=O)[O-])C3)c(C#N)c2)cs1	ZINC000594874198	347217670	/nfs/dbraw/zinc/21/76/70/347217670.db2.gz	WMATZSGWCGLZTN-UHFFFAOYSA-N	-1	0	298.367	3.116	20	30		CGEDRM
C[C@H]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H]1C(=O)[O-]	ZINC000595968005	347373440	/nfs/dbraw/zinc/37/34/40/347373440.db2.gz	CQXWZUJXJMDNFF-CABZTGNLSA-N	-1	0	294.301	3.043	20	30		CGEDRM
C[C@@H]1CC(CCNc2nc(C#N)c(Cl)s2)C[C@@H](C)O1	ZINC000596227561	347400726	/nfs/dbraw/zinc/40/07/26/347400726.db2.gz	QVIUZZAKCCMVKX-RKDXNWHRSA-N	-1	0	299.827	3.096	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2ccccc2OC[C@@H]2CCOC2)c1	ZINC000600779255	347834264	/nfs/dbraw/zinc/83/42/64/347834264.db2.gz	SHDFNCLRJYIBLA-CQSZACIVSA-N	-1	0	295.338	3.346	20	30		CGEDRM
C[C@@H]1C[C@@H]1c1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000601064106	347862221	/nfs/dbraw/zinc/86/22/21/347862221.db2.gz	MKRSFROGXDHOIP-RISCZKNCSA-N	-1	0	296.374	3.028	20	30		CGEDRM
C=CCCSc1n[n-]c(=NCCc2ccccc2)s1	ZINC000606754339	348197633	/nfs/dbraw/zinc/19/76/33/348197633.db2.gz	GFRHYLNJTVDRSS-UHFFFAOYSA-N	-1	0	291.445	3.283	20	30		CGEDRM
C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(C#N)c1	ZINC000610786969	348403252	/nfs/dbraw/zinc/40/32/52/348403252.db2.gz	VVTDAWCVVNNUMS-LLVKDONJSA-N	-1	0	297.314	3.023	20	30		CGEDRM
C=CCC1(CNC(=O)c2ccc(C(=O)[O-])s2)CCCC1	ZINC000630292474	350821382	/nfs/dbraw/zinc/82/13/82/350821382.db2.gz	QGKZFGHQOFUUPI-UHFFFAOYSA-N	-1	0	293.388	3.313	20	30		CGEDRM
C=C(C)CN(Cc1ccccc1)C(=O)CC(C)(C)C(=O)[O-]	ZINC000630292821	350821757	/nfs/dbraw/zinc/82/17/57/350821757.db2.gz	HCXXYLVOBFFVQF-UHFFFAOYSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)[O-])s1	ZINC000630313021	350823287	/nfs/dbraw/zinc/82/32/87/350823287.db2.gz	DUCXHXGZLYWDMT-UHFFFAOYSA-N	-1	0	281.377	3.169	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000630319789	350823536	/nfs/dbraw/zinc/82/35/36/350823536.db2.gz	HWICSGQUTWKJLQ-ZFWWWQNUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccsc2)c1	ZINC000126743730	138386514	/nfs/dbraw/zinc/38/65/14/138386514.db2.gz	VRGQZGACEJQLPD-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C[C@@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCS1	ZINC000121016676	260706644	/nfs/dbraw/zinc/70/66/44/260706644.db2.gz	SDBNAEPXPYCIIC-JGWKKKPCSA-N	-1	0	280.349	3.005	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1	ZINC000019836740	368769533	/nfs/dbraw/zinc/76/95/33/368769533.db2.gz	VOMWEDLABGMDLG-UHFFFAOYSA-N	-1	0	271.703	3.279	20	30		CGEDRM
N#CC(=C([O-])c1cccc(F)c1)c1nc2ccccc2o1	ZINC000041545731	369191122	/nfs/dbraw/zinc/19/11/22/369191122.db2.gz	QCNNZLPQZQQFCE-GFCCVEGCSA-N	-1	0	280.258	3.457	20	30		CGEDRM
N#Cc1cc(Cl)ccc1NC1CCC(C(=O)[O-])CC1	ZINC000052856227	369473371	/nfs/dbraw/zinc/47/33/71/369473371.db2.gz	GHKTYVKXIHBXDJ-UHFFFAOYSA-N	-1	0	278.739	3.267	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000172108643	372907382	/nfs/dbraw/zinc/90/73/82/372907382.db2.gz	FSSHPQPQZMCARP-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1scnc1C1CC1	ZINC000447354902	373429226	/nfs/dbraw/zinc/42/92/26/373429226.db2.gz	OAMMBJSWWLYUTM-WAYWQWQTSA-N	-1	0	297.339	3.156	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000316660639	374336901	/nfs/dbraw/zinc/33/69/01/374336901.db2.gz	QSPFWZAQCYZGHG-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
O=C(NCCC1=CCCC1)c1s[n-]c(=O)c1Cl	ZINC000328750409	374381052	/nfs/dbraw/zinc/38/10/52/374381052.db2.gz	BYTVVFQISYUTKZ-UHFFFAOYSA-N	-1	0	272.757	3.307	20	30		CGEDRM
CCc1cnccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000183516253	374423000	/nfs/dbraw/zinc/42/30/00/374423000.db2.gz	BHGQJPJEVQACGO-CYBMUJFWSA-N	-1	0	291.310	3.275	20	30		CGEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000183634059	374436450	/nfs/dbraw/zinc/43/64/50/374436450.db2.gz	UMZDCTMXPSAYHA-ZUZCIYMTSA-N	-1	0	292.766	3.248	20	30		CGEDRM
CSc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188218178	375179249	/nfs/dbraw/zinc/17/92/49/375179249.db2.gz	JPVYNQPURLRCQH-UHFFFAOYSA-N	-1	0	284.340	3.238	20	30		CGEDRM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000230333331	376505995	/nfs/dbraw/zinc/50/59/95/376505995.db2.gz	RGALGPXMPZQHEV-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=CCC1(c2nc(-c3cc(=O)[nH]cn3)no2)CCCCC1	ZINC000567854370	377511812	/nfs/dbraw/zinc/51/18/12/377511812.db2.gz	AJOPMXNYDRBZHL-UHFFFAOYSA-N	-1	0	286.335	3.010	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1	ZINC000342445541	377649514	/nfs/dbraw/zinc/64/95/14/377649514.db2.gz	GEWPOWHSADVEEE-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CC(C)(C)CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000414092407	380189143	/nfs/dbraw/zinc/18/91/43/380189143.db2.gz	MTSYFBYWODIVSN-QGZVFWFLSA-N	-1	0	295.423	3.376	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1cc(C(F)(F)F)ccn1	ZINC000643779364	380379709	/nfs/dbraw/zinc/37/97/09/380379709.db2.gz	AJSMAQVXZOTOKS-QMMMGPOBSA-N	-1	0	297.261	3.047	20	30		CGEDRM
Cc1sc(/C=C/c2cccc(F)c2C#N)nc1C(=O)[O-]	ZINC000357084221	381024471	/nfs/dbraw/zinc/02/44/71/381024471.db2.gz	ZKBXXQNTIMDLEK-AATRIKPKSA-N	-1	0	288.303	3.331	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000647374632	392710145	/nfs/dbraw/zinc/71/01/45/392710145.db2.gz	HZYSEMXDGVOEQE-JTQLQIEISA-N	-1	0	272.329	3.412	20	30		CGEDRM
C=CC[C@@H](Cc1ccccc1)N=c1[n-]nc(C(F)F)s1	ZINC000413578921	393027590	/nfs/dbraw/zinc/02/75/90/393027590.db2.gz	OEXQBZQNSCXPQL-NSHDSACASA-N	-1	0	295.358	3.497	20	30		CGEDRM
C=CC[C@H]1N(C(=O)c2cc(C(=O)[O-])co2)CCCC1(C)C	ZINC000668320919	543006145	/nfs/dbraw/zinc/00/61/45/543006145.db2.gz	KCUGZIXSTGTAST-CYBMUJFWSA-N	-1	0	291.347	3.185	20	30		CGEDRM
Cc1cccc2cc(C([O-])=C(C#N)c3ccncn3)sc21	ZINC000344860415	225204773	/nfs/dbraw/zinc/20/47/73/225204773.db2.gz	BZGQABMEMXNZFD-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000659166304	418963567	/nfs/dbraw/zinc/96/35/67/418963567.db2.gz	JYKCVLGFPBGIAL-VXGQWTEUSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21	ZINC000659193857	418964018	/nfs/dbraw/zinc/96/40/18/418964018.db2.gz	QZAWJJHIFMITBH-XGUBFFRZSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=CCOc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000067456477	260129246	/nfs/dbraw/zinc/12/92/46/260129246.db2.gz	YATNPHKYMCTIPM-UHFFFAOYSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=CCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000153503636	261079362	/nfs/dbraw/zinc/07/93/62/261079362.db2.gz	CNVSQYFSLVUUST-UHFFFAOYSA-N	-1	0	261.369	3.309	20	30		CGEDRM
CC(C)n1cc(/C=C2\Cc3c(ccc([O-])c3F)C2=O)cn1	ZINC000287019260	263100483	/nfs/dbraw/zinc/10/04/83/263100483.db2.gz	GHUUIMSBTPXGDU-VZUCSPMQSA-N	-1	0	286.306	3.131	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1CCOC1	ZINC000298424118	263219451	/nfs/dbraw/zinc/21/94/51/263219451.db2.gz	PINSOOWZUYARIR-VLYAYIKJSA-N	-1	0	274.147	3.154	20	30		CGEDRM
CC(C)(C)c1csc(CNC(=O)c2csc(=O)[nH]2)n1	ZINC000329920379	265248924	/nfs/dbraw/zinc/24/89/24/265248924.db2.gz	DWJLTUXZFFABGQ-UHFFFAOYSA-N	-1	0	297.405	3.108	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCC1(O)CCC1	ZINC000283825646	328245209	/nfs/dbraw/zinc/24/52/09/328245209.db2.gz	GDFRMSLSQSLDNY-LZYBPNLTSA-N	-1	0	288.174	3.423	20	30		CGEDRM
CC(=Cc1sccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000565710039	322087755	/nfs/dbraw/zinc/08/77/55/322087755.db2.gz	UFLWEOXRGNDYOX-FNORWQNLSA-N	-1	0	291.763	3.225	20	30		CGEDRM
C=CCCCCCCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000263375322	330053143	/nfs/dbraw/zinc/05/31/43/330053143.db2.gz	ODSOTBNTCNSONQ-UHFFFAOYSA-N	-1	0	296.411	3.019	20	30		CGEDRM
N#C[C@@H]1CCC[C@@H](Nc2cccc(CCC(=O)[O-])c2)C1	ZINC000263490657	330057678	/nfs/dbraw/zinc/05/76/78/330057678.db2.gz	ILIQOCVIAGEORG-UKRRQHHQSA-N	-1	0	272.348	3.198	20	30		CGEDRM
C=CCn1c(SCc2ccc(C)cc2Cl)n[n-]c1=N	ZINC000446068558	330843836	/nfs/dbraw/zinc/84/38/36/330843836.db2.gz	FWZGAERFFCVFSD-UHFFFAOYSA-N	-1	0	294.811	3.131	20	30		CGEDRM
C=CCC1(CN=c2[n-]c([C@@H](C)OC)ns2)CCCC1	ZINC000450841901	331002203	/nfs/dbraw/zinc/00/22/03/331002203.db2.gz	DTNAJIMXQFFSPQ-LLVKDONJSA-N	-1	0	281.425	3.216	20	30		CGEDRM
C=CCn1c(-c2sccc2C)n[n-]c1=NC(C)(C)C	ZINC000463109068	331340566	/nfs/dbraw/zinc/34/05/66/331340566.db2.gz	VRWJOAIUPKLIHM-UHFFFAOYSA-N	-1	0	276.409	3.133	20	30		CGEDRM
C#C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1	ZINC000491639513	332259610	/nfs/dbraw/zinc/25/96/10/332259610.db2.gz	WRVVNYSOTJRKHX-YQYFLZKSSA-N	-1	0	298.273	3.233	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000529386638	333483948	/nfs/dbraw/zinc/48/39/48/333483948.db2.gz	WVMNYRUPIBTKDH-UHFFFAOYSA-N	-1	0	284.718	3.453	20	30		CGEDRM
N#CCCCN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1	ZINC000544124128	333917480	/nfs/dbraw/zinc/91/74/80/333917480.db2.gz	SBLMOOXAOWEZGP-UHFFFAOYSA-N	-1	0	297.145	3.181	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000555921143	334492025	/nfs/dbraw/zinc/49/20/25/334492025.db2.gz	XDWAYYBTNFOADO-CYBMUJFWSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000567970451	334779986	/nfs/dbraw/zinc/77/99/86/334779986.db2.gz	OUBZLPVTAMHBGV-HSBZDZAISA-N	-1	0	281.396	3.129	20	30		CGEDRM
CC(=CC=Cc1ccccc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193610912	335978309	/nfs/dbraw/zinc/97/83/09/335978309.db2.gz	KTXSOEIJYUJAEX-NGSBCVAZSA-N	-1	0	277.327	3.067	20	30		CGEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC000191490871	527075100	/nfs/dbraw/zinc/07/51/00/527075100.db2.gz	SARPTCHPJZHTAX-MRXNPFEDSA-N	-1	0	283.327	3.048	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)c(F)c(F)c2)cc1	ZINC000727968985	571781566	/nfs/dbraw/zinc/78/15/66/571781566.db2.gz	NFSVKYCKZNCWCH-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
Cc1cccc2c1O/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C2=O	ZINC000727974677	571781652	/nfs/dbraw/zinc/78/16/52/571781652.db2.gz	LXCHLIQGGNJIDE-RIYZIHGNSA-N	-1	0	297.266	3.225	20	30		CGEDRM
CCn1c(C)cc(CN=Nc2ccc(C(=O)[O-])cc2)c1C	ZINC000728226183	571796208	/nfs/dbraw/zinc/79/62/08/571796208.db2.gz	XQGSFTSPANJSDN-UHFFFAOYSA-N	-1	0	285.347	3.269	20	30		CGEDRM
C=C(C)COC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738485213	571798196	/nfs/dbraw/zinc/79/81/96/571798196.db2.gz	FMALGFJKSYQWOJ-UHFFFAOYSA-N	-1	0	269.684	3.163	20	30		CGEDRM
CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1nccs1	ZINC000737442988	572343606	/nfs/dbraw/zinc/34/36/06/572343606.db2.gz	FYGOIOARRFJIAP-LWHXSLQUSA-N	-1	0	291.332	3.327	20	30		CGEDRM
Cc1cc(NCc2ccc(C#N)cc2F)ccc1C(=O)[O-]	ZINC000738462812	572376591	/nfs/dbraw/zinc/37/65/91/572376591.db2.gz	YPPPJWBDJHNCRV-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
N#Cc1ccc([C@H](OC(=O)CC2=CCCCC2)C(=O)[O-])cc1	ZINC000739110397	572402042	/nfs/dbraw/zinc/40/20/42/572402042.db2.gz	PYUZMQKXJZTRSP-INIZCTEOSA-N	-1	0	299.326	3.118	20	30		CGEDRM
O=C([O-])C1CCC(N=Cc2cc3ccccc3[nH]c2=O)CC1	ZINC000739559859	572419505	/nfs/dbraw/zinc/41/95/05/572419505.db2.gz	HBIRYNHXILXUFF-VCHYOVAHSA-N	-1	0	298.342	3.003	20	30		CGEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cccc2cnccc21	ZINC000740619128	572449173	/nfs/dbraw/zinc/44/91/73/572449173.db2.gz	CDPPNWVZHDYHSC-GFCCVEGCSA-N	-1	0	298.346	3.070	20	30		CGEDRM
CCCCC(CC)=NNc1cnnc([O-])c1Cl	ZINC000732923527	572492629	/nfs/dbraw/zinc/49/26/29/572492629.db2.gz	CXPIEQSQIDQLFY-UHFFFAOYSA-N	-1	0	256.737	3.204	20	30		CGEDRM
C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000737696742	572568412	/nfs/dbraw/zinc/56/84/12/572568412.db2.gz	VDXHEDTZTDFSSJ-LBPRGKRZSA-N	-1	0	296.326	3.022	20	30		CGEDRM
Cc1noc(C)c1[C@H](C)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000733749862	572601357	/nfs/dbraw/zinc/60/13/57/572601357.db2.gz	CIHGBENATBFDDZ-IIVQSHCLSA-N	-1	0	289.291	3.085	20	30		CGEDRM
C#Cc1cccc(N(CC)Cc2cc(C(=O)[O-])oc2C)c1	ZINC000736091454	572767946	/nfs/dbraw/zinc/76/79/46/572767946.db2.gz	URPJKUGOJHPCBY-UHFFFAOYSA-N	-1	0	283.327	3.294	20	30		CGEDRM
O=C([O-])c1ccccc1N=NCc1c[nH]c2ccc(F)cc12	ZINC000747042904	572906764	/nfs/dbraw/zinc/90/67/64/572906764.db2.gz	TURHAVPTESFJAY-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748411058	572975883	/nfs/dbraw/zinc/97/58/83/572975883.db2.gz	VJKXYYHJJZVHEB-LLVKDONJSA-N	-1	0	298.317	3.220	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc(Cl)nc2)cs1	ZINC000749005005	572988030	/nfs/dbraw/zinc/98/80/30/572988030.db2.gz	HMANXFLXOUVRCF-HNQUOIGGSA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H](C)CCc2ccccc2)n1	ZINC000749159168	572989975	/nfs/dbraw/zinc/98/99/75/572989975.db2.gz	SDHPFGUEMXTAHZ-LBPRGKRZSA-N	-1	0	284.363	3.157	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2cccc(F)c2)cc1F	ZINC000749859727	573048995	/nfs/dbraw/zinc/04/89/95/573048995.db2.gz	XYSDNVKJFMYBBY-UHFFFAOYSA-N	-1	0	266.222	3.256	20	30		CGEDRM
Cc1cnc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000749932037	573062568	/nfs/dbraw/zinc/06/25/68/573062568.db2.gz	ZAVHZNKPSWEGSH-UGHKADQRSA-N	-1	0	291.332	3.245	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000061857603	599817732	/nfs/dbraw/zinc/81/77/32/599817732.db2.gz	XZRQKFHKYGPQDU-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832876003	601331666	/nfs/dbraw/zinc/33/16/66/601331666.db2.gz	ZXTBOCHFSGQLSE-XQRVVYSFSA-N	-1	0	269.300	3.226	20	30		CGEDRM
C=CCCCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-]	ZINC000825665212	601437317	/nfs/dbraw/zinc/43/73/17/601437317.db2.gz	WQOGVCNLFAGBSZ-CQSZACIVSA-N	-1	0	289.375	3.092	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Cl)s2)[nH]1	ZINC000833311729	601444912	/nfs/dbraw/zinc/44/49/12/601444912.db2.gz	BSYGWAUENMWTAP-DUXPYHPUSA-N	-1	0	281.720	3.324	20	30		CGEDRM
C=CCCCC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000825664937	601452317	/nfs/dbraw/zinc/45/23/17/601452317.db2.gz	QUOFWPODULIKKG-CABCVRRESA-N	-1	0	293.407	3.225	20	30		CGEDRM
O=C([O-])c1ccc(CON=Cc2ccc(F)cc2)cc1F	ZINC000833314067	601628982	/nfs/dbraw/zinc/62/89/82/601628982.db2.gz	BJOBPSDHELKIMU-UHFFFAOYSA-N	-1	0	291.253	3.214	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000830094642	601792797	/nfs/dbraw/zinc/79/27/97/601792797.db2.gz	SYMDPRVPQSTBNH-VOTSOKGWSA-N	-1	0	285.299	3.008	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1	ZINC000238201323	602079703	/nfs/dbraw/zinc/07/97/03/602079703.db2.gz	XPOKDENBAGVCSK-HNNXBMFYSA-N	-1	0	287.359	3.087	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1cccc(C(=O)[O-])c1	ZINC000825664856	602189219	/nfs/dbraw/zinc/18/92/19/602189219.db2.gz	OGQQNHGUFVOYIT-UHFFFAOYSA-N	-1	0	274.316	3.196	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2cccc(C)c2Cl)[n-]1	ZINC000899362035	620669107	/nfs/dbraw/zinc/66/91/07/620669107.db2.gz	IDIDVAPPGHVFMD-UHFFFAOYSA-N	-1	0	260.724	3.155	20	30		CGEDRM
C=CCCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825671572	604375671	/nfs/dbraw/zinc/37/56/71/604375671.db2.gz	VCJBSNKUKPSBGD-HNNXBMFYSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C[C@H](Oc1ccc(/C=C/C(=O)c2ccco2)cc1)C(=O)[O-]	ZINC000794702074	604396743	/nfs/dbraw/zinc/39/67/43/604396743.db2.gz	MNYPTZUZRCXNKX-LAHYYIKRSA-N	-1	0	286.283	3.028	20	30		CGEDRM
C#CC[C@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccccc1	ZINC000833362809	604462582	/nfs/dbraw/zinc/46/25/82/604462582.db2.gz	LXBSEBGCYBYULR-HNNXBMFYSA-N	-1	0	280.327	3.265	20	30		CGEDRM
C[C@H]1Cc2ccccc2N1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833634883	604603191	/nfs/dbraw/zinc/60/31/91/604603191.db2.gz	OTAGSVKFLCDQPE-LBPRGKRZSA-N	-1	0	292.338	3.208	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1C	ZINC000830440558	604629001	/nfs/dbraw/zinc/62/90/01/604629001.db2.gz	AKFHTOAVBMWZSI-MDZDMXLPSA-N	-1	0	298.342	3.114	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2F)cc1	ZINC000833309898	604630653	/nfs/dbraw/zinc/63/06/53/604630653.db2.gz	IJPWIGSJWICQPV-KTKRTIGZSA-N	-1	0	270.259	3.420	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1	ZINC000763367261	604667563	/nfs/dbraw/zinc/66/75/63/604667563.db2.gz	AZVONWJASOUXJV-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
CCc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763372021	604669224	/nfs/dbraw/zinc/66/92/24/604669224.db2.gz	PDULJZWTDVLUMH-UHFFFAOYSA-N	-1	0	283.331	3.178	20	30		CGEDRM
C=CCCCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1	ZINC000833373727	604876651	/nfs/dbraw/zinc/87/66/51/604876651.db2.gz	ZLWSSENGPAGILQ-UHFFFAOYSA-N	-1	0	280.349	3.014	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1	ZINC000162378801	604911904	/nfs/dbraw/zinc/91/19/04/604911904.db2.gz	LULSJHHJUIZISW-UHFFFAOYSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C[C@H]1C/C(=C/c2c[nH]c(C(=O)[O-])c2)C(=O)c2ccccc21	ZINC000833590050	605052275	/nfs/dbraw/zinc/05/22/75/605052275.db2.gz	YPHRYRSZZGLOSG-BZPKPHBRSA-N	-1	0	281.311	3.486	20	30		CGEDRM
C=CCC[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)C1CC1	ZINC000833373440	605117997	/nfs/dbraw/zinc/11/79/97/605117997.db2.gz	PEARWZCLUIWBHM-SNVBAGLBSA-N	-1	0	280.345	3.348	20	30		CGEDRM
C#CCCCSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000833362347	605148956	/nfs/dbraw/zinc/14/89/56/605148956.db2.gz	NDQVTMFVCRHANI-UHFFFAOYSA-N	-1	0	261.302	3.032	20	30		CGEDRM
N#Cc1ccc(CNc2ccc3c(c2)CCN3C(=O)[O-])s1	ZINC000831126592	605250259	/nfs/dbraw/zinc/25/02/59/605250259.db2.gz	LAURTQZZKFCEPD-UHFFFAOYSA-N	-1	0	299.355	3.272	20	30		CGEDRM
Cc1cc(C(=O)Nc2ccccc2C#N)ccc1NC(=O)[O-]	ZINC000829965855	605573237	/nfs/dbraw/zinc/57/32/37/605573237.db2.gz	MIWPQMLJUULGBV-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
C[C@H](C#N)Oc1ccccc1NCc1cccc(C(=O)[O-])c1	ZINC000819875162	605576902	/nfs/dbraw/zinc/57/69/02/605576902.db2.gz	UXZKUVHYTWFLPX-GFCCVEGCSA-N	-1	0	296.326	3.288	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000833361571	605602713	/nfs/dbraw/zinc/60/27/13/605602713.db2.gz	ATPYVXNNKZVULT-UHFFFAOYSA-N	-1	0	292.310	3.438	20	30		CGEDRM
CC(N=Nc1ccnc(F)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814902027	605783184	/nfs/dbraw/zinc/78/31/84/605783184.db2.gz	DRYIJROGYQLHQP-JTQLQIEISA-N	-1	0	281.331	3.290	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1	ZINC000899854748	620731960	/nfs/dbraw/zinc/73/19/60/620731960.db2.gz	OAYVIPSFWLNESQ-QWRGUYRKSA-N	-1	0	293.388	3.253	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501593	617611270	/nfs/dbraw/zinc/61/12/70/617611270.db2.gz	NXBCBZYNBNIJID-LLVKDONJSA-N	-1	0	293.388	3.306	20	30		CGEDRM
CC(C)c1ccc(C(=O)N(O)Cc2ccc(F)cc2)nc1	ZINC000900093880	620761474	/nfs/dbraw/zinc/76/14/74/620761474.db2.gz	AOCRBUDRTNJFFT-UHFFFAOYSA-N	-1	0	288.322	3.376	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000076765074	618021642	/nfs/dbraw/zinc/02/16/42/618021642.db2.gz	ZROZYDRMWIDICW-SECBINFHSA-N	-1	0	289.784	3.421	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Sc1ccccc1	ZINC000846545459	618091523	/nfs/dbraw/zinc/09/15/23/618091523.db2.gz	OKAKGFVTZCGHBY-DGCLKSJQSA-N	-1	0	265.378	3.180	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1cccc(Cl)c1F	ZINC000846550018	618094220	/nfs/dbraw/zinc/09/42/20/618094220.db2.gz	QJHLIWNRKWZMJS-SECBINFHSA-N	-1	0	285.746	3.379	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(Cl)c1C)C(=O)[O-]	ZINC000900319565	620780375	/nfs/dbraw/zinc/78/03/75/620780375.db2.gz	BXWNTVXNFUUAKR-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(O)c(F)c2)c([O-])c1	ZINC000255268902	618146312	/nfs/dbraw/zinc/14/63/12/618146312.db2.gz	RVJHSBPSNATWEX-KXFIGUGUSA-N	-1	0	288.274	3.142	20	30		CGEDRM
CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(F)cc1[O-]	ZINC000255377883	618242991	/nfs/dbraw/zinc/24/29/91/618242991.db2.gz	FXIDIGNXFRTRGZ-DAXSKMNVSA-N	-1	0	288.322	3.448	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2F)c1	ZINC000176819114	618740507	/nfs/dbraw/zinc/74/05/07/618740507.db2.gz	CURGKLHKWZWIRT-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2)c1	ZINC000176829016	618742387	/nfs/dbraw/zinc/74/23/87/618742387.db2.gz	AKVNHRTXMNAEOQ-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
O=C(/C=C/c1cccc2c1OCCO2)c1ccccc1[O-]	ZINC000176953687	618769428	/nfs/dbraw/zinc/76/94/28/618769428.db2.gz	SAGOEFIIXFPNCK-CMDGGOBGSA-N	-1	0	282.295	3.060	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2cccc(F)c2)c1	ZINC000179732053	618800669	/nfs/dbraw/zinc/80/06/69/618800669.db2.gz	ZCQIJIBPFWCKNP-FNORWQNLSA-N	-1	0	282.274	3.055	20	30		CGEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])C1CCCC1	ZINC000179729345	618800688	/nfs/dbraw/zinc/80/06/88/618800688.db2.gz	VHYXXVDXLSVKOE-UHFFFAOYSA-N	-1	0	272.348	3.419	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-]	ZINC000232925516	619293808	/nfs/dbraw/zinc/29/38/08/619293808.db2.gz	YKYMOVGMNLUZOQ-JSGCOSHPSA-N	-1	0	269.385	3.059	20	30		CGEDRM
CCC(CC)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814851775	619426054	/nfs/dbraw/zinc/42/60/54/619426054.db2.gz	UJNAUNSGTSSUDE-PWSUYJOCSA-N	-1	0	268.401	3.278	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519761	619503970	/nfs/dbraw/zinc/50/39/70/619503970.db2.gz	BLHQQLUQEGZCLM-UHFFFAOYSA-N	-1	0	281.377	3.011	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)cc1C	ZINC000049135062	619702044	/nfs/dbraw/zinc/70/20/44/619702044.db2.gz	ARFDDHJPKZPMPH-LBPRGKRZSA-N	-1	0	295.404	3.385	20	30		CGEDRM
C#CCC1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCCCC1	ZINC000909505551	619779279	/nfs/dbraw/zinc/77/92/79/619779279.db2.gz	QETZQCLZIBFNOC-UHFFFAOYSA-N	-1	0	299.370	3.226	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=NO[C@H]1CCCCO1	ZINC000814888193	619782725	/nfs/dbraw/zinc/78/27/25/619782725.db2.gz	ZMCPQZXYCQLATJ-LBPRGKRZSA-N	-1	0	273.691	3.062	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909521825	619831704	/nfs/dbraw/zinc/83/17/04/619831704.db2.gz	XIHUOMKWVPNITK-LBPRGKRZSA-N	-1	0	289.375	3.491	20	30		CGEDRM
CCOC1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000840707817	620091181	/nfs/dbraw/zinc/09/11/81/620091181.db2.gz	YOLNLHUCPDZXSR-YBEGLDIGSA-N	-1	0	292.335	3.069	20	30		CGEDRM
CCC1(C/N=C\c2cc(Br)ccc2O)COC1	ZINC000840711017	620131522	/nfs/dbraw/zinc/13/15/22/620131522.db2.gz	WBMOJVSQSIODMK-UUASQNMZSA-N	-1	0	298.180	3.000	20	30		CGEDRM
O=C1c2ccc(O)cc2O/C1=C\c1c(F)cccc1F	ZINC000797197969	620188242	/nfs/dbraw/zinc/18/82/42/620188242.db2.gz	RWBKQDKTUKYVTF-AUWJEWJLSA-N	-1	0	274.222	3.287	20	30		CGEDRM
C#Cc1cccc(N[C@H]2CCC[C@@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901452694	620885525	/nfs/dbraw/zinc/88/55/25/620885525.db2.gz	ZJVDEGTXTCTJLZ-OCCSQVGLSA-N	-1	0	293.313	3.359	20	30		CGEDRM
N#C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CC2CCC1CC2	ZINC000901480527	620892343	/nfs/dbraw/zinc/89/23/43/620892343.db2.gz	LRCKUGHPJMBSKY-FWXSHLFISA-N	-1	0	298.342	3.043	20	30		CGEDRM
C=CCCC[C@H](C(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000901459515	620893818	/nfs/dbraw/zinc/89/38/18/620893818.db2.gz	OVMBXBCPLJYYOG-HNNXBMFYSA-N	-1	0	289.375	3.060	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)C(=Cc1nc(C(C)C)c[nH]1)O2	ZINC000901458749	620893867	/nfs/dbraw/zinc/89/38/67/620893867.db2.gz	JDOGXNYPUGKPFZ-AWNIVKPZSA-N	-1	0	284.315	3.163	20	30		CGEDRM
O=C(/C=C\c1ccnn1CC1CC1)c1c([O-])cccc1F	ZINC000901561089	620929529	/nfs/dbraw/zinc/92/95/29/620929529.db2.gz	NCWQEGFTTFRJLU-SREVYHEPSA-N	-1	0	286.306	3.034	20	30		CGEDRM
C#CCCCCCCNc1cccc(CC(=O)[O-])c1	ZINC000901664231	620972589	/nfs/dbraw/zinc/97/25/89/620972589.db2.gz	ZDUNXLXQQCVSPT-UHFFFAOYSA-N	-1	0	259.349	3.309	20	30		CGEDRM
C=C(C)C[C@H](N[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901682428	620984272	/nfs/dbraw/zinc/98/42/72/620984272.db2.gz	UNLZZZLVYUIWRO-KBPBESRZSA-N	-1	0	297.345	3.262	20	30		CGEDRM
C=CC1(CC(=O)NCCCCCC(=O)[O-])CCCCC1	ZINC000907583009	622302292	/nfs/dbraw/zinc/30/22/92/622302292.db2.gz	XAGNIXZFAVRFIP-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
C=CC1(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])CCCCC1	ZINC000907629730	622304193	/nfs/dbraw/zinc/30/41/93/622304193.db2.gz	SIHYMWWKGPYXLZ-CQSZACIVSA-N	-1	0	293.407	3.369	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000907846215	622314924	/nfs/dbraw/zinc/31/49/24/622314924.db2.gz	YMHXLXZYJLQQRP-SNVBAGLBSA-N	-1	0	279.311	3.373	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1	ZINC000908249367	622337440	/nfs/dbraw/zinc/33/74/40/622337440.db2.gz	LTPBDAZYGJFLJG-OLZOCXBDSA-N	-1	0	273.332	3.159	20	30		CGEDRM
C=C1CCC(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CC1	ZINC000908294020	622341470	/nfs/dbraw/zinc/34/14/70/622341470.db2.gz	WHKPCSYCMWAJLY-OAHLLOKOSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908328343	622345064	/nfs/dbraw/zinc/34/50/64/622345064.db2.gz	LKLPLBOKWNPOJI-ZDUSSCGKSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000908940984	622377677	/nfs/dbraw/zinc/37/76/77/622377677.db2.gz	NTUFXLXGSZSQPG-QGZVFWFLSA-N	-1	0	289.375	3.095	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2OC)CC1	ZINC000909732759	622420761	/nfs/dbraw/zinc/42/07/61/622420761.db2.gz	CXJPQQMQGIIDOC-UHFFFAOYSA-N	-1	0	289.331	3.078	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000909836448	622430380	/nfs/dbraw/zinc/43/03/80/622430380.db2.gz	PTAPBEAXGPQONB-BDJLRTHQSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910739539	622501977	/nfs/dbraw/zinc/50/19/77/622501977.db2.gz	APFWPVJMVJVASV-AWEZNQCLSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000910915734	622508693	/nfs/dbraw/zinc/50/86/93/622508693.db2.gz	QSEUWJMNZSLNQQ-GFCCVEGCSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1	ZINC000910947253	622511721	/nfs/dbraw/zinc/51/17/21/622511721.db2.gz	AGUXALAXPVAMTH-UHFFFAOYSA-N	-1	0	291.372	3.402	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC000156597855	622826074	/nfs/dbraw/zinc/82/60/74/622826074.db2.gz	IPULUMIBGMASIA-AATRIKPKSA-N	-1	0	255.298	3.221	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cccc(F)c2)c1	ZINC000046415123	622966190	/nfs/dbraw/zinc/96/61/90/622966190.db2.gz	HYLJZYKUSXYZSU-CXUHLZMHSA-N	-1	0	274.251	3.059	20	30		CGEDRM
O=C(/C=C/c1cccnc1Cl)c1ccc([O-])c(F)c1	ZINC000171542110	623172058	/nfs/dbraw/zinc/17/20/58/623172058.db2.gz	HGTXDMPNGMWUSE-HWKANZROSA-N	-1	0	277.682	3.476	20	30		CGEDRM
Cc1cccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000916256169	624127676	/nfs/dbraw/zinc/12/76/76/624127676.db2.gz	OFGUIVUWKPRXOI-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
Cc1ccc(C)c(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000916345835	624148294	/nfs/dbraw/zinc/14/82/94/624148294.db2.gz	OITDAXWOBBJYQB-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccsc2)n1	ZINC000916844199	624217580	/nfs/dbraw/zinc/21/75/80/624217580.db2.gz	YELUABVGRPDUNL-OTDNITJGSA-N	-1	0	274.370	3.403	20	30		CGEDRM
C[C@H](NN=Cc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000920386243	624487874	/nfs/dbraw/zinc/48/78/74/624487874.db2.gz	VATCRYLEESUVTC-LBPRGKRZSA-N	-1	0	268.316	3.070	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCc2ccccc2)c1	ZINC000920942689	624554208	/nfs/dbraw/zinc/55/42/08/624554208.db2.gz	BFZAVWIQMADUAN-ATVHPVEESA-N	-1	0	284.315	3.352	20	30		CGEDRM
O=C1c2cccc(F)c2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000921263882	624578186	/nfs/dbraw/zinc/57/81/86/624578186.db2.gz	KFSLDXHUBQHQNB-UXBLZVDNSA-N	-1	0	299.257	3.262	20	30		CGEDRM
O=C(C=Cc1csc([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000184516572	625243735	/nfs/dbraw/zinc/24/37/35/625243735.db2.gz	XFFJLCCGCITAJW-OWOJBTEDSA-N	-1	0	281.314	3.320	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000923076823	626128969	/nfs/dbraw/zinc/12/89/69/626128969.db2.gz	WQPZWXHFLBSYJV-UHFFFAOYSA-N	-1	0	298.342	3.024	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000923181555	626134944	/nfs/dbraw/zinc/13/49/44/626134944.db2.gz	BQNMXBRRCITYKF-INIZCTEOSA-N	-1	0	281.396	3.008	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C/c2ccccc2C#N)c1	ZINC000121330767	626211816	/nfs/dbraw/zinc/21/18/16/626211816.db2.gz	PSGIJBRJEHECNF-SOFGYWHQSA-N	-1	0	279.295	3.169	20	30		CGEDRM
Cc1cc(F)ccc1C=NNc1ccccc1C(=O)[O-]	ZINC000750934524	626369854	/nfs/dbraw/zinc/36/98/54/626369854.db2.gz	YJZPNJHZWBBRJF-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CCc1ccccc1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000751130079	626376895	/nfs/dbraw/zinc/37/68/95/626376895.db2.gz	BTNIOPGMJFYQMA-UHFFFAOYSA-N	-1	0	285.303	3.309	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCOc3ccccc32)cc1	ZINC000752157734	626420408	/nfs/dbraw/zinc/42/04/08/626420408.db2.gz	OTUSWZXEPQAAED-ZDUSSCGKSA-N	-1	0	296.326	3.349	20	30		CGEDRM
N#Cc1ccccc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000755592046	626630313	/nfs/dbraw/zinc/63/03/13/626630313.db2.gz	DVOHQRXEUNSXSQ-AATRIKPKSA-N	-1	0	283.308	3.214	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1C	ZINC000757471575	626781300	/nfs/dbraw/zinc/78/13/00/626781300.db2.gz	GOHKLYOWNDIWOR-CLTKARDFSA-N	-1	0	284.311	3.311	20	30		CGEDRM
CC(C)CCCC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367632	627153695	/nfs/dbraw/zinc/15/36/95/627153695.db2.gz	DQYRNRADTDTIJE-UHFFFAOYSA-N	-1	0	263.341	3.394	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@H](c3ccccc3)[C@@H]2C)n1	ZINC000767745129	627434310	/nfs/dbraw/zinc/43/43/10/627434310.db2.gz	YJKFZYKIHPKQAD-AAEUAGOBSA-N	-1	0	282.347	3.082	20	30		CGEDRM
C[C@H]1CCC[C@@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000768356007	627475627	/nfs/dbraw/zinc/47/56/27/627475627.db2.gz	VHFFTPQNDLXOCG-DTWKUNHWSA-N	-1	0	268.748	3.060	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NOCc1cccnc1	ZINC000768367932	627476339	/nfs/dbraw/zinc/47/63/39/627476339.db2.gz	TXWZFAXQNFFTEL-UHFFFAOYSA-N	-1	0	280.686	3.130	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c(F)c1	ZINC000772806176	627824675	/nfs/dbraw/zinc/82/46/75/627824675.db2.gz	KMXTZENPADTKJC-HWKANZROSA-N	-1	0	285.249	3.438	20	30		CGEDRM
CC(C)c1nccnc1N=NC(C)c1cccc(C(=O)[O-])c1	ZINC000773085092	627853723	/nfs/dbraw/zinc/85/37/23/627853723.db2.gz	CIFPQRJYGPQQJN-UHFFFAOYSA-N	-1	0	298.346	3.134	20	30		CGEDRM
CC1(C)CCCC[C@@H]1NN=Cc1ccccc1C(=O)[O-]	ZINC000773126622	627860539	/nfs/dbraw/zinc/86/05/39/627860539.db2.gz	ZRELDMLOSGWQLU-AWEZNQCLSA-N	-1	0	274.364	3.277	20	30		CGEDRM
COc1ccsc1C=CC(=O)c1sccc1[O-]	ZINC000773144067	627862623	/nfs/dbraw/zinc/86/26/23/627862623.db2.gz	VVZSQNRQMZETCG-NSCUHMNNSA-N	-1	0	266.343	3.420	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000776630824	628223569	/nfs/dbraw/zinc/22/35/69/628223569.db2.gz	BIIWQQPVLYFEAB-XFXZXTDPSA-N	-1	0	285.343	3.491	20	30		CGEDRM
C=CCOCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000779706599	628421238	/nfs/dbraw/zinc/42/12/38/628421238.db2.gz	IJESUMWFCOWMSM-OVCLIPMQSA-N	-1	0	274.147	3.321	20	30		CGEDRM
N#Cc1cc(Cl)cc(-c2cc(C=O)cc(C(=O)[O-])c2)c1	ZINC000874970392	634661691	/nfs/dbraw/zinc/66/16/91/634661691.db2.gz	PJBWNQPQMDAVLJ-UHFFFAOYSA-N	-1	0	285.686	3.389	20	30		CGEDRM
O=C1c2ccccc2CN1N=Cc1cccc(Cl)c1[O-]	ZINC000781597931	628577242	/nfs/dbraw/zinc/57/72/42/628577242.db2.gz	RQFGFJJTVQOLNT-UHFFFAOYSA-N	-1	0	286.718	3.036	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000783702344	628741584	/nfs/dbraw/zinc/74/15/84/628741584.db2.gz	WBUQZGDCFVXRGT-ZZXKWVIFSA-N	-1	0	293.369	3.361	20	30		CGEDRM
CCc1cnc(/C=C\C(=O)c2ccc(F)cc2[O-])s1	ZINC000783710682	628742313	/nfs/dbraw/zinc/74/23/13/628742313.db2.gz	LQYBHUCMFGJEET-WAYWQWQTSA-N	-1	0	277.320	3.446	20	30		CGEDRM
Cc1ccnc(NN=Cc2ccc(C(=O)[O-])cc2Cl)c1	ZINC000783855196	628751808	/nfs/dbraw/zinc/75/18/08/628751808.db2.gz	JEUDUNSJPPFIRH-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
O=C([O-])c1ccc(C=NOC2CCCC2)c(Cl)c1	ZINC000783858497	628752229	/nfs/dbraw/zinc/75/22/29/628752229.db2.gz	AIROAIFDBVBYHN-UHFFFAOYSA-N	-1	0	267.712	3.331	20	30		CGEDRM
N#C[C@@]1(F)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000786578258	628949025	/nfs/dbraw/zinc/94/90/25/628949025.db2.gz	FOCRRNUZRNPDGP-LBPRGKRZSA-N	-1	0	289.137	3.137	20	30		CGEDRM
CC(=NOCc1cccnc1)c1cc(C(=O)[O-])ccc1C	ZINC000788438085	629051962	/nfs/dbraw/zinc/05/19/62/629051962.db2.gz	YKZHMNQDUMRXRI-UHFFFAOYSA-N	-1	0	284.315	3.029	20	30		CGEDRM
C[C@@H](C#N)Oc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1	ZINC000789147888	629107978	/nfs/dbraw/zinc/10/79/78/629107978.db2.gz	LKQSTEHEDYNVTA-PWFBRDGFSA-N	-1	0	294.310	3.241	20	30		CGEDRM
COC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCCC1	ZINC000790141578	629185970	/nfs/dbraw/zinc/18/59/70/629185970.db2.gz	OHISQHWTWISKFU-UHFFFAOYSA-N	-1	0	296.754	3.395	20	30		CGEDRM
C=C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000792167438	629343208	/nfs/dbraw/zinc/34/32/08/629343208.db2.gz	JHUNVQNRXZJREA-UHFFFAOYSA-N	-1	0	255.720	3.337	20	30		CGEDRM
C[C@]1(CN=Nc2ccc(C(=O)[O-])cc2)CCCS1	ZINC000792865084	629388286	/nfs/dbraw/zinc/38/82/86/629388286.db2.gz	BECACWQBBNYEOA-CYBMUJFWSA-N	-1	0	264.350	3.068	20	30		CGEDRM
CCCC(=NN[C@H](CC)C(=O)[O-])C1CCCCC1	ZINC000793055606	629405736	/nfs/dbraw/zinc/40/57/36/629405736.db2.gz	NGUBKCBDDVRCQI-GFCCVEGCSA-N	-1	0	254.374	3.176	20	30		CGEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1cccc(Cl)c1F	ZINC000793071838	629408119	/nfs/dbraw/zinc/40/81/19/629408119.db2.gz	HUOOEMFFGIEGGZ-LLVKDONJSA-N	-1	0	286.734	3.046	20	30		CGEDRM
CC[C@H](NN=Cc1cccc(Oc2ccccc2)c1)C(=O)[O-]	ZINC000793073136	629408148	/nfs/dbraw/zinc/40/81/48/629408148.db2.gz	YYOIEXDZWKRXTR-INIZCTEOSA-N	-1	0	298.342	3.266	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1	ZINC000794729272	629573284	/nfs/dbraw/zinc/57/32/84/629573284.db2.gz	ZZFROUNLEZRTFH-GHXNOFRVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cccnc1	ZINC000794926689	629600185	/nfs/dbraw/zinc/60/01/85/629600185.db2.gz	MENCBAGGEZQDIY-WAYWQWQTSA-N	-1	0	281.311	3.293	20	30		CGEDRM
O=C(/C=C/c1c(F)ccc(O)c1F)c1ccccc1[O-]	ZINC000794941617	629603358	/nfs/dbraw/zinc/60/33/58/629603358.db2.gz	SKDMHFCGNOOSGE-FNORWQNLSA-N	-1	0	276.238	3.272	20	30		CGEDRM
Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2C#N)cc1	ZINC000864244478	629800580	/nfs/dbraw/zinc/80/05/80/629800580.db2.gz	AEUFILUTTMRMLJ-ZHACJKMWSA-N	-1	0	298.367	3.279	20	30		CGEDRM
CC[C@@H]1CC[C@H](C)CC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000797402249	629942061	/nfs/dbraw/zinc/94/20/61/629942061.db2.gz	XPLPMBHNFYCXRH-WDEREUQCSA-N	-1	0	275.352	3.394	20	30		CGEDRM
O=C(C=Cc1ccnn1CC1CCC1)c1sccc1[O-]	ZINC000865223270	630029242	/nfs/dbraw/zinc/02/92/42/630029242.db2.gz	GTLWKGBYBMPAQF-SNAWJCMRSA-N	-1	0	288.372	3.346	20	30		CGEDRM
C#C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C	ZINC000798343336	630046365	/nfs/dbraw/zinc/04/63/65/630046365.db2.gz	DEIMIGSSTNLMBQ-LBMJDHPKSA-N	-1	0	280.711	3.031	20	30		CGEDRM
COc1ccccc1CON=C(C)c1ccccc1C(=O)[O-]	ZINC000799118676	630147606	/nfs/dbraw/zinc/14/76/06/630147606.db2.gz	PWUYCSYPYPYLFJ-UHFFFAOYSA-N	-1	0	299.326	3.334	20	30		CGEDRM
O=C([O-])c1cccc(N=NC2CCCC23CCOCC3)c1	ZINC000799864872	630235765	/nfs/dbraw/zinc/23/57/65/630235765.db2.gz	TULJSPLHINFATC-UHFFFAOYSA-N	-1	0	288.347	3.133	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)oc1C	ZINC000799898223	630241838	/nfs/dbraw/zinc/24/18/38/630241838.db2.gz	WWJZATDNLNBOLL-SREVYHEPSA-N	-1	0	270.284	3.491	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1cccc(C(=O)[O-])c1	ZINC000806559232	630566807	/nfs/dbraw/zinc/56/68/07/630566807.db2.gz	XKIBWQLFVONDPJ-SREVYHEPSA-N	-1	0	284.315	3.058	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C1/Oc2cc([O-])ccc2C1=O	ZINC000811688814	631109664	/nfs/dbraw/zinc/10/96/64/631109664.db2.gz	SCQKWYWISXSUNM-GIDUJCDVSA-N	-1	0	281.242	3.019	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)n1	ZINC000811693552	631110363	/nfs/dbraw/zinc/11/03/63/631110363.db2.gz	KLUONFMGIIURDC-ONEGZZNKSA-N	-1	0	290.731	3.270	20	30		CGEDRM
C#CCON=C(C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000812234209	631225228	/nfs/dbraw/zinc/22/52/28/631225228.db2.gz	UYAGMSWUWHCWMG-UHFFFAOYSA-N	-1	0	283.283	3.019	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)c([O-])c1	ZINC000812243539	631231127	/nfs/dbraw/zinc/23/11/27/631231127.db2.gz	OFBUUYHYSULKGA-GQCTYLIASA-N	-1	0	292.285	3.268	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cnn(CC(F)F)c2)c([O-])c1	ZINC000814189994	631543175	/nfs/dbraw/zinc/54/31/75/631543175.db2.gz	MOPJMKRYHVEPFS-HWKANZROSA-N	-1	0	292.285	3.058	20	30		CGEDRM
C[C@@H]1C(N=Nc2ncccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814810278	631646393	/nfs/dbraw/zinc/64/63/93/631646393.db2.gz	FYCXOYMXQDQRIZ-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cc(F)cc(F)c1	ZINC000814813768	631647375	/nfs/dbraw/zinc/64/73/75/631647375.db2.gz	YPGQNGUSMRUKSW-UHFFFAOYSA-N	-1	0	282.290	3.398	20	30		CGEDRM
C[C@@H]1C(=NNC2CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814832384	631651046	/nfs/dbraw/zinc/65/10/46/631651046.db2.gz	DDIXSYIUFZYAPZ-ZYHUDNBSSA-N	-1	0	266.385	3.032	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(Cl)nc1	ZINC000814858770	631656699	/nfs/dbraw/zinc/65/66/99/631656699.db2.gz	GPJRJXVGFAREBF-UHFFFAOYSA-N	-1	0	281.743	3.168	20	30		CGEDRM
CC(=NOC1CCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814893944	631668400	/nfs/dbraw/zinc/66/84/00/631668400.db2.gz	FRPVZRXCIOMANH-YPMHNXCESA-N	-1	0	267.369	3.459	20	30		CGEDRM
C[C@H]1C(N=Nc2cc(Cl)ccn2)CC[C@@H]1CC(=O)[O-]	ZINC000814898610	631669779	/nfs/dbraw/zinc/66/97/79/631669779.db2.gz	PZLMTNZAHURFDD-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=N[C@H]1CCCCC1(C)C	ZINC000814916701	631680030	/nfs/dbraw/zinc/68/00/30/631680030.db2.gz	CSBCDRUQLZKPMU-BZPMIXESSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(N=Nc1ncccc1F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814927537	631685027	/nfs/dbraw/zinc/68/50/27/631685027.db2.gz	SWTBTLBKNNVVJK-JTQLQIEISA-N	-1	0	281.331	3.290	20	30		CGEDRM
CC(=NOC/C=C\Cl)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814933858	631688313	/nfs/dbraw/zinc/68/83/13/631688313.db2.gz	CYLGVBJODOOLOF-CIZZLFPDSA-N	-1	0	297.738	3.032	20	30		CGEDRM
CCOc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814985142	631702514	/nfs/dbraw/zinc/70/25/14/631702514.db2.gz	UGBOGTJJMVPRDI-RYUDHWBXSA-N	-1	0	290.363	3.374	20	30		CGEDRM
Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])ccn1C(C)C	ZINC000815877641	631829294	/nfs/dbraw/zinc/82/92/94/631829294.db2.gz	AFDRGDRPDPXPAC-UHFFFAOYSA-N	-1	0	283.331	3.207	20	30		CGEDRM
N#C[C@H]1CC[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000818992559	632360955	/nfs/dbraw/zinc/36/09/55/632360955.db2.gz	QRZWNIRRPIJSGF-PJESGCRNSA-N	-1	0	293.710	3.065	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@@H]2CCCO2)n1	ZINC000820184359	632584429	/nfs/dbraw/zinc/58/44/29/632584429.db2.gz	OIIUFJXPEVIJHB-ABZJQCSKSA-N	-1	0	290.388	3.178	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CC3(CCC3)C2)c1	ZINC000844270559	635852244	/nfs/dbraw/zinc/85/22/44/635852244.db2.gz	ISHYSHSHFYIHFK-OQLLNIDSSA-N	-1	0	260.293	3.052	20	30		CGEDRM
C[C@H]1CCCC[C@H]1CN=Nc1ccc(-c2nn[nH]n2)cc1	ZINC000824939978	633308013	/nfs/dbraw/zinc/30/80/13/633308013.db2.gz	YQULSLVZVOBYJT-AAEUAGOBSA-N	-1	0	284.367	3.091	20	30		CGEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000122697555	633492632	/nfs/dbraw/zinc/49/26/32/633492632.db2.gz	BZAYRMWXJJGPRL-HWKANZROSA-N	-1	0	297.141	3.329	20	30		CGEDRM
C=CCCCN(C)C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000828255643	633596449	/nfs/dbraw/zinc/59/64/49/633596449.db2.gz	WRSFFEPAOLPXCE-UHFFFAOYSA-N	-1	0	276.361	3.155	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CC[C@@H]3C[C@@H]32)ccc1Cl	ZINC000872325503	634109528	/nfs/dbraw/zinc/10/95/28/634109528.db2.gz	UHJZJULLRLYFEC-APPZFPTMSA-N	-1	0	264.712	3.236	20	30		CGEDRM
C[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)C[C@@H]1C	ZINC000835007542	634312872	/nfs/dbraw/zinc/31/28/72/634312872.db2.gz	XJKJCXMWIXFMQU-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC000835011215	634315356	/nfs/dbraw/zinc/31/53/56/634315356.db2.gz	CSLKGUYJXUKRSZ-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)C1CCOCC1	ZINC000835012629	634316620	/nfs/dbraw/zinc/31/66/20/634316620.db2.gz	RLBPPQSFKDPRSO-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CC(NN=c1[n-]nc(-c2ccccn2)s1)=C1CC1(F)F	ZINC000841638073	635205091	/nfs/dbraw/zinc/20/50/91/635205091.db2.gz	MPTVRYQSEMTENS-QMMMGPOBSA-N	-1	0	295.318	3.043	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NNC12CC(C1)C2	ZINC000842547524	635400805	/nfs/dbraw/zinc/40/08/05/635400805.db2.gz	OKBBVLLCNCTWOR-UHFFFAOYSA-N	-1	0	271.147	3.175	20	30		CGEDRM
N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc(C2CC2)cs1	ZINC000842937722	635518570	/nfs/dbraw/zinc/51/85/70/635518570.db2.gz	GGJXVOABWOIHFF-SNVBAGLBSA-N	-1	0	298.371	3.111	20	30		CGEDRM
C=C(C)CON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000844620540	635944050	/nfs/dbraw/zinc/94/40/50/635944050.db2.gz	XJMMRIIPCRMDKP-WDEREUQCSA-N	-1	0	253.342	3.092	20	30		CGEDRM
CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000881299833	636094960	/nfs/dbraw/zinc/09/49/60/636094960.db2.gz	XRQMSAWYVIPSLR-CZUORRHYSA-N	-1	0	272.348	3.185	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)co1	ZINC000845844160	636106319	/nfs/dbraw/zinc/10/63/19/636106319.db2.gz	GQPBWLOKPMQVMY-OAHLLOKOSA-N	-1	0	293.322	3.211	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](OC1CCCC1)c1ccccc1	ZINC000846538604	636194806	/nfs/dbraw/zinc/19/48/06/636194806.db2.gz	KHKQNTOHQZOHSV-MRXNPFEDSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](Sc1ccccc1)C(C)C	ZINC000846539125	636196649	/nfs/dbraw/zinc/19/66/49/636196649.db2.gz	OYLXXVTXXKEEDC-AWEZNQCLSA-N	-1	0	279.405	3.427	20	30		CGEDRM
C[C@@]12C[C@@H]1CCCC2N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414096	636570646	/nfs/dbraw/zinc/57/06/46/636570646.db2.gz	JCJROEAWQRDWST-BLLLJJGKSA-N	-1	0	272.348	3.292	20	30		CGEDRM
O=C([O-])Cc1ccc(NN=C2CCCc3occc32)cc1	ZINC000848414797	636571680	/nfs/dbraw/zinc/57/16/80/636571680.db2.gz	RTHJKRQGYQEMPC-UHFFFAOYSA-N	-1	0	284.315	3.059	20	30		CGEDRM
C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000848923553	636694193	/nfs/dbraw/zinc/69/41/93/636694193.db2.gz	GMFRASMKEJDSNM-SNVBAGLBSA-N	-1	0	267.731	3.030	20	30		CGEDRM
O=C(/C=C\c1ccnn1CC1CC1)c1cc(F)ccc1[O-]	ZINC000849246308	636778487	/nfs/dbraw/zinc/77/84/87/636778487.db2.gz	HBOBFOHUXULPCU-XQRVVYSFSA-N	-1	0	286.306	3.034	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000849247665	636779444	/nfs/dbraw/zinc/77/94/44/636779444.db2.gz	VOCSMQQEOYDERU-FNORWQNLSA-N	-1	0	286.306	3.038	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000800153717	636940915	/nfs/dbraw/zinc/94/09/15/636940915.db2.gz	XVAFEPQKNPJTOE-UHFFFAOYSA-N	-1	0	296.326	3.151	20	30		CGEDRM
C[C@H]1CCCC(=NNc2cnnc([O-])c2Cl)CC1	ZINC000884408146	637022303	/nfs/dbraw/zinc/02/23/03/637022303.db2.gz	XPUWTXFBYTVHQB-QMMMGPOBSA-N	-1	0	268.748	3.204	20	30		CGEDRM
CO[C@@]1(C)C[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000852999221	637725833	/nfs/dbraw/zinc/72/58/33/637725833.db2.gz	YNWGXUAUEPIVFL-HIISMJTJSA-N	-1	0	274.147	3.295	20	30		CGEDRM
C[C@@H]1CCCCN1N=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000853381948	637831561	/nfs/dbraw/zinc/83/15/61/637831561.db2.gz	PCWYJGDKDRTBDZ-IUODEOHRSA-N	-1	0	286.375	3.227	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](OC1CCCC1)c1ccccc1	ZINC000856031212	638287369	/nfs/dbraw/zinc/28/73/69/638287369.db2.gz	IAPQVRKNXIXJOK-MRXNPFEDSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCO[N-]C(=O)C(CC)(CC)c1ccccc1	ZINC000856032311	638288480	/nfs/dbraw/zinc/28/84/80/638288480.db2.gz	JRTFIUNCZTUFKQ-UHFFFAOYSA-N	-1	0	261.365	3.368	20	30		CGEDRM
O=C([O-])c1cc(N=NC[C@@H]2CCCOCC2)ccc1Cl	ZINC000857206388	638472431	/nfs/dbraw/zinc/47/24/31/638472431.db2.gz	NXLPECFKSRANJO-SNVBAGLBSA-N	-1	0	296.754	3.253	20	30		CGEDRM
C[C@@H](CC#N)N(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931941273	639239821	/nfs/dbraw/zinc/23/98/21/639239821.db2.gz	JDIMOIGCDFREHO-ZETCQYMHSA-N	-1	0	287.146	3.073	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](CCC)c1cccc(Cl)c1	ZINC000861924384	639629120	/nfs/dbraw/zinc/62/91/20/639629120.db2.gz	POIRIRJZOYLBIE-ZDUSSCGKSA-N	-1	0	267.756	3.458	20	30		CGEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1	ZINC000042244196	639913710	/nfs/dbraw/zinc/91/37/10/639913710.db2.gz	DNPVZWJXTPNZDW-UHFFFAOYSA-N	-1	0	295.385	3.004	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c(C)c1	ZINC000042275598	639915557	/nfs/dbraw/zinc/91/55/57/639915557.db2.gz	WKNBVMOJOPRBQP-ZDUSSCGKSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC1	ZINC000048418429	640052709	/nfs/dbraw/zinc/05/27/09/640052709.db2.gz	DLUJGHLIGNLXMN-HJWRWDBZSA-N	-1	0	299.779	3.342	20	30		CGEDRM
C[C@H](Cc1ccsc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000048833083	640071421	/nfs/dbraw/zinc/07/14/21/640071421.db2.gz	ZKNABZRLGCKITH-IIBSKXHVSA-N	-1	0	290.344	3.412	20	30		CGEDRM
C#CC1CCN(Cc2cc([O-])c(Cl)c(F)c2F)CC1	ZINC001250410718	805599800	/nfs/dbraw/zinc/59/98/00/805599800.db2.gz	NTEPMRYKQMBSCC-UHFFFAOYSA-N	-1	0	285.721	3.169	20	30		CGEDRM
N#Cc1ccc(SCCCC(=O)[O-])c(Cl)c1	ZINC000309421357	963347490	/nfs/dbraw/zinc/34/74/90/963347490.db2.gz	HSSXDXUQWBMUFT-UHFFFAOYSA-N	-1	0	255.726	3.169	20	30		CGEDRM
N#Cc1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)nc1	ZINC001250462328	805631307	/nfs/dbraw/zinc/63/13/07/805631307.db2.gz	WFQROGDUBNTJDI-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ccccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001250582521	805707017	/nfs/dbraw/zinc/70/70/17/805707017.db2.gz	HRFCIWROEFMWRT-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3c(ccc4ncccc34)[nH]2)c1	ZINC001251180079	805859167	/nfs/dbraw/zinc/85/91/67/805859167.db2.gz	ASTIEBCLDPUTEW-UHFFFAOYSA-N	-1	0	286.294	3.355	20	30		CGEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000046928692	798891757	/nfs/dbraw/zinc/89/17/57/798891757.db2.gz	LIZVMCFJAOATIZ-UHFFFAOYSA-N	-1	0	281.786	3.093	20	30		CGEDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000328994866	799253668	/nfs/dbraw/zinc/25/36/68/799253668.db2.gz	JKQGOOWBLLSTIV-MQLXINIDSA-N	-1	0	279.380	3.413	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000398034963	799525823	/nfs/dbraw/zinc/52/58/23/799525823.db2.gz	MHYNZLJONSTDFG-ZIAGYGMSSA-N	-1	0	296.411	3.160	20	30		CGEDRM
Cc1ccccc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809152032	800412907	/nfs/dbraw/zinc/41/29/07/800412907.db2.gz	BAGCNZZADKYOCO-SOFGYWHQSA-N	-1	0	282.295	3.295	20	30		CGEDRM
CCC(=O)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)cc1	ZINC001122641095	802877707	/nfs/dbraw/zinc/87/77/07/802877707.db2.gz	WKGYHNHXUVEGIJ-CYBMUJFWSA-N	-1	0	296.301	3.303	20	30		CGEDRM
CSc1ccsc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122715075	802881842	/nfs/dbraw/zinc/88/18/42/802881842.db2.gz	WFLNWMMXJXOKJI-MRVPVSSYSA-N	-1	0	292.360	3.494	20	30		CGEDRM
CCCc1[nH]ccc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001123381927	802938891	/nfs/dbraw/zinc/93/88/91/802938891.db2.gz	NJFHSMCBFGSYJT-LLVKDONJSA-N	-1	0	289.285	3.130	20	30		CGEDRM
N#CC(=C([O-])C=C(C1CC1)C1CC1)c1ncc(F)cc1F	ZINC001123382200	802938974	/nfs/dbraw/zinc/93/89/74/802938974.db2.gz	PVLMDGHKCQOVDN-ZDUSSCGKSA-N	-1	0	288.297	3.282	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2c([O-])cccc2Cl)n1	ZINC001244038592	803155079	/nfs/dbraw/zinc/15/50/79/803155079.db2.gz	YWDFONQUNOSDOJ-UHFFFAOYSA-N	-1	0	291.763	3.405	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(CC#N)cc2F)c1	ZINC001244176897	803226826	/nfs/dbraw/zinc/22/68/26/803226826.db2.gz	RANUYGYPUHLAFZ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CCc1cccc(-c2ccc(CCC(=O)[O-])cc2)c1	ZINC001244185550	803232168	/nfs/dbraw/zinc/23/21/68/803232168.db2.gz	FHSCQVIYUCYFBT-UHFFFAOYSA-N	-1	0	265.312	3.437	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1ccc(CCC(=O)[O-])cc1	ZINC001244188108	803233425	/nfs/dbraw/zinc/23/34/25/803233425.db2.gz	YUNKPJKKOLAVLN-UHFFFAOYSA-N	-1	0	295.338	3.445	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3ccc(CCC(=O)[O-])cc3)cc12	ZINC001244192143	803236023	/nfs/dbraw/zinc/23/60/23/803236023.db2.gz	YMEAOFVIBGHIMA-UHFFFAOYSA-N	-1	0	291.310	3.119	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1cc(OC(F)(F)F)ccc1[O-]	ZINC001244456320	803378333	/nfs/dbraw/zinc/37/83/33/803378333.db2.gz	DEWSKEVZVHEZJZ-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
Cc1cnc(-c2cc(C(=O)[O-])c(Cl)cc2F)cc1C#N	ZINC001244612469	803464109	/nfs/dbraw/zinc/46/41/09/803464109.db2.gz	LDOYTVGXBRGXLS-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cc(C(=O)[O-])cnc2F)cc1	ZINC001244761689	803522718	/nfs/dbraw/zinc/52/27/18/803522718.db2.gz	SFZJDGNQQNGCSZ-UHFFFAOYSA-N	-1	0	284.290	3.387	20	30		CGEDRM
COc1cc(-c2cc(/C=N/[O-])ccc2F)c(Cl)cn1	ZINC001245042776	803619559	/nfs/dbraw/zinc/61/95/59/803619559.db2.gz	HRUZNFWFPCZNLS-UBKPWBPPSA-N	-1	0	280.686	3.358	20	30		CGEDRM
CCc1nnc(-c2cc(Cl)ccc2[O-])c(C#N)c1CC	ZINC001245051370	803623234	/nfs/dbraw/zinc/62/32/34/803623234.db2.gz	YARWZPPKLBOEGS-UHFFFAOYSA-N	-1	0	287.750	3.499	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccc2[nH]c(C#N)cc2n1	ZINC001245301785	803696231	/nfs/dbraw/zinc/69/62/31/803696231.db2.gz	QCYUIYCGXQWOFY-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
Cc1cnc(-c2c(F)ccc([O-])c2Cl)cc1C#N	ZINC001245830447	803985063	/nfs/dbraw/zinc/98/50/63/803985063.db2.gz	NPQGDNNEAWHGQS-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCCn1[n-]c(-c2cc(Cl)cc(Cl)c2)cc1=O	ZINC001245929242	804058200	/nfs/dbraw/zinc/05/82/00/804058200.db2.gz	SQEIYFFNLOPFTL-UHFFFAOYSA-N	-1	0	282.130	3.476	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccnc3cc(Cl)ccc32)[n-]1	ZINC001245951278	804085627	/nfs/dbraw/zinc/08/56/27/804085627.db2.gz	BUBTWHZLATUNKH-UHFFFAOYSA-N	-1	0	297.745	3.345	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(C(C)(C)C)cc2)[nH]1	ZINC001245951904	804086092	/nfs/dbraw/zinc/08/60/92/804086092.db2.gz	KXYXZPUWFKIPGX-UHFFFAOYSA-N	-1	0	268.360	3.441	20	30		CGEDRM
O=C(C#Cc1cccs1)Nc1cc(Cl)c([O-])cc1F	ZINC001140279924	804407256	/nfs/dbraw/zinc/40/72/56/804407256.db2.gz	SLZKTSJZSNFBRA-UHFFFAOYSA-N	-1	0	295.722	3.236	20	30		CGEDRM
CC(C)Oc1ccc(C(=O)Nc2ccc(C#N)cc2O)cc1	ZINC001148399920	805178570	/nfs/dbraw/zinc/17/85/70/805178570.db2.gz	NHTSWOCAQXXIMW-UHFFFAOYSA-N	-1	0	296.326	3.303	20	30		CGEDRM
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)c([O-])c1	ZINC001148491830	805187602	/nfs/dbraw/zinc/18/76/02/805187602.db2.gz	DGAQPWMWFINJIL-UHFFFAOYSA-N	-1	0	298.367	3.375	20	30		CGEDRM
Cc1cccc2c(C(=O)Nc3ccc(C#N)cc3O)c[nH]c21	ZINC001151955885	805327107	/nfs/dbraw/zinc/32/71/07/805327107.db2.gz	UNWWIPSLGLLCAP-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
COc1ccc(C#N)c(Nc2cc([O-])c(F)c(F)c2F)c1	ZINC001249962281	805329002	/nfs/dbraw/zinc/32/90/02/805329002.db2.gz	DXWJQEHGLWSULW-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nc2ccccc2o1	ZINC001153579913	805404168	/nfs/dbraw/zinc/40/41/68/805404168.db2.gz	VQNHNLMKIWKRDH-UHFFFAOYSA-N	-1	0	299.236	3.230	20	30		CGEDRM
O=C(CCc1nnc(Cc2cccc(F)c2)o1)C1=CC=C[CH]1	ZINC001258540385	807491563	/nfs/dbraw/zinc/49/15/63/807491563.db2.gz	LBUPDTFKIAEKQJ-UHFFFAOYSA-N	-1	0	297.309	3.002	20	30		CGEDRM
N#Cc1cc(-c2nnc(Cc3cccc(F)c3)o2)ccc1[O-]	ZINC001258576007	807493462	/nfs/dbraw/zinc/49/34/62/807493462.db2.gz	ARPUCEQUKOGARE-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)s1	ZINC001260678481	807698661	/nfs/dbraw/zinc/69/86/61/807698661.db2.gz	MNDQWEGOIXCFQQ-UHFFFAOYSA-N	-1	0	298.414	3.099	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(-c2ncc[nH]2)cc1	ZINC001213086831	815230158	/nfs/dbraw/zinc/23/01/58/815230158.db2.gz	BVYXFATUANHPJF-UHFFFAOYSA-N	-1	0	282.328	3.459	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC001174504281	809052961	/nfs/dbraw/zinc/05/29/61/809052961.db2.gz	JVFLMLSSWFRFTD-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C)c(C#N)c1	ZINC001174676974	809127373	/nfs/dbraw/zinc/12/73/73/809127373.db2.gz	FDHUWJQEOGDZRH-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CC(C)(C)c1noc(Nc2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001174952380	809212643	/nfs/dbraw/zinc/21/26/43/809212643.db2.gz	XNAWPQIHVYCUHS-UHFFFAOYSA-N	-1	0	299.330	3.214	20	30		CGEDRM
Cc1cc(C#N)cc(Nc2ccc(CC(=O)[O-])cc2)c1	ZINC001174954615	809214650	/nfs/dbraw/zinc/21/46/50/809214650.db2.gz	KCNWBGLUTYGZGJ-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
Cc1oc(Nc2ccc(C(=O)[O-])c(F)c2)c(C#N)c1C	ZINC001175154342	809290779	/nfs/dbraw/zinc/29/07/79/809290779.db2.gz	KMTZSRBVZBBJSB-UHFFFAOYSA-N	-1	0	274.251	3.349	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC001175156314	809291382	/nfs/dbraw/zinc/29/13/82/809291382.db2.gz	BAAVIXLLXMNQPZ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001175157816	809291539	/nfs/dbraw/zinc/29/15/39/809291539.db2.gz	UMXGAOGRBIYWAN-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175219011	809311753	/nfs/dbraw/zinc/31/17/53/809311753.db2.gz	RFHMSUXYASQHSP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001175221103	809313403	/nfs/dbraw/zinc/31/34/03/809313403.db2.gz	GQIALBBPONQWSW-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1ncc(C#N)cc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175316513	809352755	/nfs/dbraw/zinc/35/27/55/809352755.db2.gz	WIJGWVZIOAPQHX-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cn1cc2cccc(Nc3cc(C#N)c(F)cc3[O-])c2n1	ZINC001175463468	809415059	/nfs/dbraw/zinc/41/50/59/809415059.db2.gz	VJSNGYIEPMISAH-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc2c[nH]nc21	ZINC001175519451	809439180	/nfs/dbraw/zinc/43/91/80/809439180.db2.gz	KXKAGHUHZPLORK-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
Cc1sc(Nc2cncc(C(=O)[O-])c2)c(C#N)c1C	ZINC001175839424	809552733	/nfs/dbraw/zinc/55/27/33/809552733.db2.gz	SCUQBIIGVVJMHK-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](c1ccncc1)C1CCCCC1	ZINC001300210987	809564547	/nfs/dbraw/zinc/56/45/47/809564547.db2.gz	NAXJAEACGBVYCQ-CJNGLKHVSA-N	-1	0	288.391	3.368	20	30		CGEDRM
COc1ccc(Nc2cc(OC)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001213591362	815306906	/nfs/dbraw/zinc/30/69/06/815306906.db2.gz	YRYTZGSBDUXPRS-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1cc(Nc2cc(C)cc(C#N)c2)cc(C(=O)[O-])c1	ZINC001213599645	815309120	/nfs/dbraw/zinc/30/91/20/815309120.db2.gz	RDJBXXCLHUDMBX-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1C#N	ZINC001176671467	809739296	/nfs/dbraw/zinc/73/92/96/809739296.db2.gz	FBLVWDXJGVZUSG-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(C(=O)[O-])cc1	ZINC001176712660	809747863	/nfs/dbraw/zinc/74/78/63/809747863.db2.gz	NOFXWALDESKHLL-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1cccc(Nc2ccc(CCC(=O)[O-])cc2)c1C#N	ZINC001213634580	815314923	/nfs/dbraw/zinc/31/49/23/815314923.db2.gz	UHWMGWUYHHMMTE-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
C[C@H]1c2ccccc2CCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241903	810185306	/nfs/dbraw/zinc/18/53/06/810185306.db2.gz	TZPFKPILNGSZOM-AWEZNQCLSA-N	-1	0	294.374	3.182	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1cc(O)cc(Cl)c1	ZINC001184244865	810185391	/nfs/dbraw/zinc/18/53/91/810185391.db2.gz	GFSOWNWSNAXMBJ-UHFFFAOYSA-N	-1	0	290.726	3.034	20	30		CGEDRM
C=CCN(C(=O)CCC(=O)C1=CC=C[CH]1)C1CCCCC1	ZINC001184243972	810185439	/nfs/dbraw/zinc/18/54/39/810185439.db2.gz	NXNDGAPNZSDTRE-UHFFFAOYSA-N	-1	0	286.395	3.383	20	30		CGEDRM
CCCCCCN(O)C(=O)c1cc(C2CC2)n(CC)n1	ZINC001184314563	810190779	/nfs/dbraw/zinc/19/07/79/810190779.db2.gz	AIZDEKZDAMMODZ-UHFFFAOYSA-N	-1	0	279.384	3.192	20	30		CGEDRM
N#Cc1cccc2c1CC[C@H]2NC(=O)c1cccc([S-])c1	ZINC001186162483	810318347	/nfs/dbraw/zinc/31/83/47/810318347.db2.gz	ABVUOSYUZHATFC-MRXNPFEDSA-N	-1	0	294.379	3.264	20	30		CGEDRM
C=Cc1ccc(C(=O)Nc2ccc(C#N)cc2O)cc1	ZINC001186512587	810344261	/nfs/dbraw/zinc/34/42/61/810344261.db2.gz	SBQOIQLIDJTNHO-UHFFFAOYSA-N	-1	0	264.284	3.159	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1sccc1C#N	ZINC001214268544	815392723	/nfs/dbraw/zinc/39/27/23/815392723.db2.gz	KPDVORKTCSMKQO-UHFFFAOYSA-N	-1	0	288.328	3.460	20	30		CGEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2cccc(Cl)c21	ZINC001193160442	810861231	/nfs/dbraw/zinc/86/12/31/810861231.db2.gz	CNWWDEKXCWVFDK-VIFPVBQESA-N	-1	0	294.763	3.147	20	30		CGEDRM
Cc1[n-]sc(=NC(=O)Oc2ccc(C)cc2)c1C#N	ZINC001194419578	811072417	/nfs/dbraw/zinc/07/24/17/811072417.db2.gz	KEKCENHEQUULKE-UHFFFAOYSA-N	-1	0	273.317	3.243	20	30		CGEDRM
N#Cc1ccncc1Nc1ccc(Cl)c([O-])c1F	ZINC001214793386	815452602	/nfs/dbraw/zinc/45/26/02/815452602.db2.gz	CGYWXGPKIPSBNP-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cn1ccc2cccc(C(=O)Nc3ccc(C#N)cc3O)c21	ZINC001199019845	811554582	/nfs/dbraw/zinc/55/45/82/811554582.db2.gz	VUEJRBFVRHJLPW-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
CCCCCCNC(=S)Nc1cc(C#N)ccc1[O-]	ZINC001200954026	811773686	/nfs/dbraw/zinc/77/36/86/811773686.db2.gz	FWJSXLJZOFSORE-UHFFFAOYSA-N	-1	0	277.393	3.131	20	30		CGEDRM
CC(C)Oc1cncc(Nc2scc([O-])c2C#N)c1	ZINC001201542991	811893851	/nfs/dbraw/zinc/89/38/51/811893851.db2.gz	XXOBZXAATQMULO-UHFFFAOYSA-N	-1	0	275.333	3.251	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1	ZINC001215274364	815501579	/nfs/dbraw/zinc/50/15/79/815501579.db2.gz	UDDCLXXPRBNBFG-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
Cc1ccc(NC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC001202429648	812091453	/nfs/dbraw/zinc/09/14/53/812091453.db2.gz	GJCQEUSVTZYCEH-UHFFFAOYSA-N	-1	0	267.288	3.216	20	30		CGEDRM
Cc1cc(Cl)nc(Nc2ccsc2C(=O)[O-])c1C#N	ZINC001215391735	815514894	/nfs/dbraw/zinc/51/48/94/815514894.db2.gz	JGFGSMLOWZXCDZ-UHFFFAOYSA-N	-1	0	293.735	3.418	20	30		CGEDRM
COc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1C#N	ZINC001203292976	812296527	/nfs/dbraw/zinc/29/65/27/812296527.db2.gz	PKMRZVNQUAQYNL-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#CCc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1	ZINC001203324465	812311531	/nfs/dbraw/zinc/31/15/31/812311531.db2.gz	KNRZWPYCILNFPG-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
O=C(CCc1nc(-c2ccc(F)cc2)no1)C1=CC=C[CH]1	ZINC001204657013	812701517	/nfs/dbraw/zinc/70/15/17/812701517.db2.gz	YOJGWEWQXKQFMB-UHFFFAOYSA-N	-1	0	283.282	3.078	20	30		CGEDRM
N#C[C@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC001205680290	813050682	/nfs/dbraw/zinc/05/06/82/813050682.db2.gz	AOQHIMDGYBAGPF-HNNXBMFYSA-N	-1	0	267.284	3.166	20	30		CGEDRM
Cc1ccc(Nc2scc([O-])c2C#N)c2c[nH]nc21	ZINC001215756014	815576487	/nfs/dbraw/zinc/57/64/87/815576487.db2.gz	ISXOKJRFGSFCDX-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
Cc1nc(-c2cc(F)c(F)c(C(=O)[O-])c2)ccc1CC#N	ZINC001206018134	813167989	/nfs/dbraw/zinc/16/79/89/813167989.db2.gz	XJDDKESVARRLAX-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2csc(C(=O)[O-])c2)n1	ZINC001206250370	813255902	/nfs/dbraw/zinc/25/59/02/813255902.db2.gz	LEPPMIUTHNZXQM-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1oncc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001242603578	823056758	/nfs/dbraw/zinc/05/67/58/823056758.db2.gz	CUOKFIMBUIKONU-FZSIALSZSA-N	-1	0	270.210	3.477	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890704	814190551	/nfs/dbraw/zinc/19/05/51/814190551.db2.gz	SXRNHGIHDDCSBD-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890438	814191058	/nfs/dbraw/zinc/19/10/58/814191058.db2.gz	NCKXLRWMGKAKPR-UHFFFAOYSA-N	-1	0	295.273	3.319	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1c(O)cccc1C#N	ZINC001210007384	814240995	/nfs/dbraw/zinc/24/09/95/814240995.db2.gz	MWXNKGSJXAZQSD-UHFFFAOYSA-N	-1	0	286.262	3.153	20	30		CGEDRM
Cc1cc([N-]c2nc(C(C)(C)C)ns2)cnc1C#N	ZINC001210201624	814337063	/nfs/dbraw/zinc/33/70/63/814337063.db2.gz	XDUMOGSQNGKWAI-UHFFFAOYSA-N	-1	0	273.365	3.154	20	30		CGEDRM
C[C@@H]1CC(=O)C=C(c2ccc3oc(=S)[n-]c3c2)C1	ZINC001242740253	823117483	/nfs/dbraw/zinc/11/74/83/823117483.db2.gz	APDRNGITZVNPGX-QMMMGPOBSA-N	-1	0	259.330	3.499	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1cccc(C(=O)[O-])c1F	ZINC001210238975	814358739	/nfs/dbraw/zinc/35/87/39/814358739.db2.gz	HWTIVFLXHHUTKZ-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#CCc1ccccc1Nc1cccc(C(=O)[O-])c1F	ZINC001210241424	814360834	/nfs/dbraw/zinc/36/08/34/814360834.db2.gz	CAIXCXQWFPTYKN-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cc(C)ccc1C#N	ZINC001210254553	814367603	/nfs/dbraw/zinc/36/76/03/814367603.db2.gz	JORLQTHUYBJMSS-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1F	ZINC001210398742	814444816	/nfs/dbraw/zinc/44/48/16/814444816.db2.gz	OQZWCVKAWVNXIO-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#CCc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1F	ZINC001210398864	814446495	/nfs/dbraw/zinc/44/64/95/814446495.db2.gz	JLFNOUGCUOCRHY-UHFFFAOYSA-N	-1	0	287.250	3.249	20	30		CGEDRM
Cc1ccc([N-]c2nnc(-c3ccco3)o2)c(C#N)c1	ZINC001210565489	814530500	/nfs/dbraw/zinc/53/05/00/814530500.db2.gz	OIVHFOMDORSLIR-UHFFFAOYSA-N	-1	0	266.260	3.253	20	30		CGEDRM
CC(=Nc1cc(C#N)c(F)cc1[O-])c1ccccc1	ZINC001210990896	814702207	/nfs/dbraw/zinc/70/22/07/814702207.db2.gz	LWNLMYDNNOWKQD-UHFFFAOYSA-N	-1	0	254.264	3.486	20	30		CGEDRM
COc1c(Nc2scc(C)c2C#N)cccc1C(=O)[O-]	ZINC001211032139	814713115	/nfs/dbraw/zinc/71/31/15/814713115.db2.gz	OLIVEDCHJWXSNQ-UHFFFAOYSA-N	-1	0	288.328	3.379	20	30		CGEDRM
N#Cc1cc(Nc2c([O-])cc(F)cc2F)cc([N+](=O)[O-])c1	ZINC001211327878	814879585	/nfs/dbraw/zinc/87/95/85/814879585.db2.gz	MJIXWCJOCORKSZ-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2cc(C)cc(C(=O)[O-])c2)c1	ZINC001211537278	814902936	/nfs/dbraw/zinc/90/29/36/814902936.db2.gz	BCCVIMWRRWTWIV-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cc(C)cc(C(=O)[O-])c1	ZINC001211545383	814905376	/nfs/dbraw/zinc/90/53/76/814905376.db2.gz	YPCHSJNBPMOCNU-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(Nc2c(C)cc(C#N)cc2C#N)cc(C(=O)[O-])c1	ZINC001211545369	814905459	/nfs/dbraw/zinc/90/54/59/814905459.db2.gz	YJTDXKKNBOSUAM-UHFFFAOYSA-N	-1	0	291.310	3.489	20	30		CGEDRM
Cc1ccc(Nc2c(F)cccc2C#N)cc1C(=O)[O-]	ZINC001211601709	814916129	/nfs/dbraw/zinc/91/61/29/814916129.db2.gz	GNHHESSDOJDRKP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211604121	814916666	/nfs/dbraw/zinc/91/66/66/814916666.db2.gz	PVGMDKIVENIKQG-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1C#N	ZINC001211604137	814917158	/nfs/dbraw/zinc/91/71/58/814917158.db2.gz	QRLXAMHGDYUMAC-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)cc([N+](=O)[O-])c1	ZINC001216482573	815838455	/nfs/dbraw/zinc/83/84/55/815838455.db2.gz	NYBCMQVYUZLLRY-UHFFFAOYSA-N	-1	0	279.252	3.116	20	30		CGEDRM
CCn1ncc2cc(Nc3scc([O-])c3C#N)ccc21	ZINC001216588937	815867637	/nfs/dbraw/zinc/86/76/37/815867637.db2.gz	AWUOMGYDDCNOLH-UHFFFAOYSA-N	-1	0	284.344	3.439	20	30		CGEDRM
N#Cc1ccc2ncc(-c3cccc([S-])c3)nc2c1	ZINC001242864246	823157447	/nfs/dbraw/zinc/15/74/47/823157447.db2.gz	IEGPJOKFIIKQEH-UHFFFAOYSA-N	-1	0	263.325	3.457	20	30		CGEDRM
CCc1nnc(-c2cccc([S-])c2)c(C#N)c1CC	ZINC001242864976	823157759	/nfs/dbraw/zinc/15/77/59/823157759.db2.gz	YINYZKIMQDVLBG-UHFFFAOYSA-N	-1	0	269.373	3.429	20	30		CGEDRM
Cc1c(Nc2cc(Cl)cnc2C#N)cccc1C(=O)[O-]	ZINC001216658723	815886503	/nfs/dbraw/zinc/88/65/03/815886503.db2.gz	HJCPHLNNRWZMRU-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
C#Cc1cc(Nc2cc(CC(=O)[O-])ccc2F)ccc1F	ZINC001216681167	815891717	/nfs/dbraw/zinc/89/17/17/815891717.db2.gz	NGOAUBLRGGSDHP-UHFFFAOYSA-N	-1	0	287.265	3.317	20	30		CGEDRM
Cc1cc(F)cc(-c2noc(-c3cccc(C#N)c3[O-])n2)c1	ZINC001216980165	815904962	/nfs/dbraw/zinc/90/49/62/815904962.db2.gz	RZSIPJASELYBQZ-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3cc(F)c([O-])c(F)c3)n2)c1	ZINC001217032852	815906502	/nfs/dbraw/zinc/90/65/02/815906502.db2.gz	SQEBWCKDIXELKQ-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1ccc2c(C#N)c[nH]c2c1	ZINC001242924046	823173726	/nfs/dbraw/zinc/17/37/26/823173726.db2.gz	YRAOIFDPPUBYBN-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
Cc1nc(-c2c(F)cc(C(=O)[O-])cc2F)ccc1CC#N	ZINC001222391943	816430046	/nfs/dbraw/zinc/43/00/46/816430046.db2.gz	FRAATOZTEUWOIS-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
N#Cc1c(F)cc(-c2c(F)cc(C(=O)[O-])cc2F)cc1F	ZINC001222403761	816435182	/nfs/dbraw/zinc/43/51/82/816435182.db2.gz	WBIRVVHJAHWUFW-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCCC[P@@](=O)([O-])O	ZINC001225019248	816933776	/nfs/dbraw/zinc/93/37/76/816933776.db2.gz	VFGVKAGHDJIYMM-MELADBBJSA-N	-1	0	290.340	3.342	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225976683	817236178	/nfs/dbraw/zinc/23/61/78/817236178.db2.gz	BJRIIWMGURGASA-MRVPVSSYSA-N	-1	0	276.258	3.325	20	30		CGEDRM
C[C@H](CC(C)(C)S)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225978265	817236322	/nfs/dbraw/zinc/23/63/22/817236322.db2.gz	QJKNHOPCDYQSKD-ZCFIWIBFSA-N	-1	0	296.314	3.067	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008488	817246635	/nfs/dbraw/zinc/24/66/35/817246635.db2.gz	HPBHLGZZBHTLIX-NSHDSACASA-N	-1	0	264.300	3.312	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C)C1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008533	817246998	/nfs/dbraw/zinc/24/69/98/817246998.db2.gz	HYBXRSUXRVROFT-RKDXNWHRSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC1(C)CCC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008630	817247343	/nfs/dbraw/zinc/24/73/43/817247343.db2.gz	KZSYXADSXVALRC-JTQLQIEISA-N	-1	0	264.300	3.146	20	30		CGEDRM
CC[C@@H](C)C[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009215	817248168	/nfs/dbraw/zinc/24/81/68/817248168.db2.gz	UUBTUDMIWLLRCV-MWLCHTKSSA-N	-1	0	266.316	3.392	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226223602	817301955	/nfs/dbraw/zinc/30/19/55/817301955.db2.gz	SEKJASCRKIPRAZ-HNNXBMFYSA-N	-1	0	292.338	3.176	20	30		CGEDRM
CC(=O)c1ccc(O)c(O[C@H](C)CC(C)(C)S)c1O	ZINC001226484341	817371311	/nfs/dbraw/zinc/37/13/11/817371311.db2.gz	CMOXWPXRKVNWOE-MRVPVSSYSA-N	-1	0	284.377	3.166	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226988956	817527329	/nfs/dbraw/zinc/52/73/29/817527329.db2.gz	CPJPPNPWYVEEHB-LLVKDONJSA-N	-1	0	288.351	3.029	20	30		CGEDRM
C#C[C@H](CCCC)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227746800	817711072	/nfs/dbraw/zinc/71/10/72/817711072.db2.gz	UXOHWKNUURLZBK-LLVKDONJSA-N	-1	0	273.292	3.042	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(C2(C#N)CC2)ccn1	ZINC001243202932	823288751	/nfs/dbraw/zinc/28/87/51/823288751.db2.gz	GPGMEURJTUBBAF-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
COc1c(F)c(F)ccc1-c1ccccc1C=N[O-]	ZINC001243303683	823335328	/nfs/dbraw/zinc/33/53/28/823335328.db2.gz	SDGLWHFWFDUUFK-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
N#Cc1cnc2ccc(-c3cc(Cl)cc(C(=O)[O-])c3)cn12	ZINC001243326750	823348638	/nfs/dbraw/zinc/34/86/38/823348638.db2.gz	WKZPNQMUZPNYEG-UHFFFAOYSA-N	-1	0	297.701	3.225	20	30		CGEDRM
N#CCc1ccncc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243327285	823349789	/nfs/dbraw/zinc/34/97/89/823349789.db2.gz	YGPCBSLLQUSDRG-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2n[n-]c(=O)cc2Cl)O1	ZINC001233585259	818649521	/nfs/dbraw/zinc/64/95/21/818649521.db2.gz	CAFYZQMCQWJDMN-QMTHXVAHSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1	ZINC001233588110	818650482	/nfs/dbraw/zinc/65/04/82/818650482.db2.gz	ATEXPGHWGRAQRG-NSHDSACASA-N	-1	0	262.696	3.142	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCCC(C)(C)C2)c1C#N	ZINC001233919323	818730155	/nfs/dbraw/zinc/73/01/55/818730155.db2.gz	GNGREYMLCMPVOY-LLVKDONJSA-N	-1	0	260.337	3.315	20	30		CGEDRM
C[C@H](Oc1nc2cc(C#N)ccc2o1)C1=CC=C[CH]1	ZINC001234460667	818861674	/nfs/dbraw/zinc/86/16/74/818861674.db2.gz	OSWKUCDICAJMRW-JTQLQIEISA-N	-1	0	251.265	3.167	20	30		CGEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)C	ZINC001234519522	818871404	/nfs/dbraw/zinc/87/14/04/818871404.db2.gz	IEWWROBJUWPXNK-CQSZACIVSA-N	-1	0	283.331	3.187	20	30		CGEDRM
Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ncc1C#N	ZINC001235076692	818996097	/nfs/dbraw/zinc/99/60/97/818996097.db2.gz	HQEHVELYVADUAH-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1cnc(-c2c(F)cc(F)c([O-])c2F)cc1C#N	ZINC001235994456	819264719	/nfs/dbraw/zinc/26/47/19/819264719.db2.gz	RKDJMEYQZJIAOC-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])cc3)nc2)CCC1	ZINC001236054210	819290078	/nfs/dbraw/zinc/29/00/78/819290078.db2.gz	SPTGGYAOPYDPIX-UHFFFAOYSA-N	-1	0	278.311	3.392	20	30		CGEDRM
Cc1c(Cl)c(-c2cnccc2CC#N)ccc1C(=O)[O-]	ZINC001236127714	819334098	/nfs/dbraw/zinc/33/40/98/819334098.db2.gz	HHEHTPFOCSQIDF-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
N#Cc1cc(-c2ccc(Cl)c(C(=O)[O-])c2F)cnc1F	ZINC001236164089	819351663	/nfs/dbraw/zinc/35/16/63/819351663.db2.gz	IEECVZPAICEVLS-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
N#CC1(c2ccnc(-c3cc(F)cc(F)c3[O-])c2)CC1	ZINC001243502918	823421914	/nfs/dbraw/zinc/42/19/14/823421914.db2.gz	BPBIAOSVWBQJTC-UHFFFAOYSA-N	-1	0	272.254	3.288	20	30		CGEDRM
COc1cc(-c2cc(F)cc(F)c2[O-])cc(F)c1C#N	ZINC001243506707	823424483	/nfs/dbraw/zinc/42/44/83/823424483.db2.gz	JXGXKENRDUWFGL-UHFFFAOYSA-N	-1	0	279.217	3.357	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243511639	823426229	/nfs/dbraw/zinc/42/62/29/823426229.db2.gz	GSIPZKZKRVQXNY-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
N#CCc1ccccc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243514454	823427341	/nfs/dbraw/zinc/42/73/41/823427341.db2.gz	LJOXFHVPFDPPBG-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#C[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1[O-]	ZINC001237800473	819843609	/nfs/dbraw/zinc/84/36/09/819843609.db2.gz	ZCRCFYSKZPNOPD-NSHDSACASA-N	-1	0	268.719	3.063	20	30		CGEDRM
N#C[C@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)CC1	ZINC001237997767	819908413	/nfs/dbraw/zinc/90/84/13/819908413.db2.gz	OUUWXSSSKXMFOO-JTQLQIEISA-N	-1	0	282.746	3.310	20	30		CGEDRM
C=CCOc1ccc(-c2cccc([O-])c2F)nc1C#N	ZINC001243546480	823438590	/nfs/dbraw/zinc/43/85/90/823438590.db2.gz	NZBWEXUMUKKDLP-UHFFFAOYSA-N	-1	0	270.263	3.030	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1C#N	ZINC001239256669	820241571	/nfs/dbraw/zinc/24/15/71/820241571.db2.gz	MQEYISRFZSEKSU-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239256640	820241670	/nfs/dbraw/zinc/24/16/70/820241670.db2.gz	MDJPERSMGFQGFA-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
N#Cc1cc2nc(-c3cc(F)c(C(=O)[O-])c(F)c3)ccc2[nH]1	ZINC001239339815	820283692	/nfs/dbraw/zinc/28/36/92/820283692.db2.gz	SVKVBLPLJDTHGV-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(F)c(C#N)c1F	ZINC001240736770	821288765	/nfs/dbraw/zinc/28/87/65/821288765.db2.gz	WNBJTWKOGHWSTB-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1cc(-c2cc(F)c(C#N)c(F)c2)ccc1C(=O)[O-]	ZINC001240743852	821295503	/nfs/dbraw/zinc/29/55/03/821295503.db2.gz	RRAYGWADJHEBBS-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccc(C(=O)[O-])s2)c1	ZINC001240849873	821369414	/nfs/dbraw/zinc/36/94/14/821369414.db2.gz	YMTYYZPYVUNPSX-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccccc1OCC#N	ZINC001241002260	821481116	/nfs/dbraw/zinc/48/11/16/821481116.db2.gz	VBFBMGWOPRFJFU-UHFFFAOYSA-N	-1	0	267.284	3.263	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241185121	821622649	/nfs/dbraw/zinc/62/26/49/821622649.db2.gz	MSKVDZIPOYJXJW-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])c(F)c2)cn1	ZINC001241186002	821623068	/nfs/dbraw/zinc/62/30/68/821623068.db2.gz	UVAVFRJISWNIGV-UHFFFAOYSA-N	-1	0	284.290	3.387	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241187102	821624080	/nfs/dbraw/zinc/62/40/80/821624080.db2.gz	LHHGRHXNSKMBOS-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(F)c(C(=O)[O-])c2)nc1C#N	ZINC001241242303	821663791	/nfs/dbraw/zinc/66/37/91/821663791.db2.gz	DYGYRBISMPPBEU-UHFFFAOYSA-N	-1	0	298.273	3.022	20	30		CGEDRM
COc1ccc(-c2cccc(C)c2C#N)cc1C(=O)[O-]	ZINC001241868676	822186755	/nfs/dbraw/zinc/18/67/55/822186755.db2.gz	KXIHXYHOEQLDJU-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccnc2[nH]cc(C#N)c21	ZINC001242211068	822911566	/nfs/dbraw/zinc/91/15/66/822911566.db2.gz	QOPZOVYXRFHEAR-UHFFFAOYSA-N	-1	0	295.273	3.247	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(F)cc1[O-]	ZINC001242216663	822914018	/nfs/dbraw/zinc/91/40/18/822914018.db2.gz	WUCKGOHWPSXOFT-UHFFFAOYSA-N	-1	0	269.279	3.129	20	30		CGEDRM
C=C(C)c1cncc(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242262090	822929497	/nfs/dbraw/zinc/92/94/97/822929497.db2.gz	GVNFKDWFDXAZJZ-UHFFFAOYSA-N	-1	0	253.301	3.409	20	30		CGEDRM
N#Cc1ccc2nccc(-c3cccc(CC(=O)[O-])c3)c2c1	ZINC001242262898	822929748	/nfs/dbraw/zinc/92/97/48/822929748.db2.gz	WILAMMFZEAPWJF-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
Cc1cc(-c2cccc(CC(=O)[O-])c2)ccc1CC#N	ZINC001242264279	822930242	/nfs/dbraw/zinc/93/02/42/822930242.db2.gz	WTJAGJNVBIYGSL-UHFFFAOYSA-N	-1	0	265.312	3.355	20	30		CGEDRM
N#Cc1cc(-c2nccc(C(F)(F)F)c2C#N)ccc1[O-]	ZINC001242562068	823032515	/nfs/dbraw/zinc/03/25/15/823032515.db2.gz	GIAJJPSZPMPFDA-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1	ZINC001343953580	936520620	/nfs/dbraw/zinc/52/06/20/936520620.db2.gz	LBTMAYREUUUYEQ-AWEZNQCLSA-N	-1	0	293.322	3.211	20	30		CGEDRM
CC(C)n1cccc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001344985489	936796353	/nfs/dbraw/zinc/79/63/53/936796353.db2.gz	XMCWVAOVZLONLA-LLVKDONJSA-N	-1	0	289.285	3.232	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC001345144576	936803473	/nfs/dbraw/zinc/80/34/73/936803473.db2.gz	FWPBFSZDGVJLCJ-UHFFFAOYSA-N	-1	0	265.284	3.127	20	30		CGEDRM
CCc1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1C	ZINC001362225708	937230030	/nfs/dbraw/zinc/23/00/30/937230030.db2.gz	UANLDEFEMVLMIO-UHFFFAOYSA-N	-1	0	295.342	3.090	20	30		CGEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000205772552	928411516	/nfs/dbraw/zinc/41/15/16/928411516.db2.gz	QEXNXGQMOIQCSB-XQRVVYSFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228912238	932049973	/nfs/dbraw/zinc/04/99/73/932049973.db2.gz	HWLFGWLGEIVQHP-SNVBAGLBSA-N	-1	0	276.723	3.170	20	30		CGEDRM
C=C[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228972727	932062179	/nfs/dbraw/zinc/06/21/79/932062179.db2.gz	CXJNLCBTTOYYGG-CYBMUJFWSA-N	-1	0	287.271	3.312	20	30		CGEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229407824	932148059	/nfs/dbraw/zinc/14/80/59/932148059.db2.gz	PVDZIWRBLDECQB-LLVKDONJSA-N	-1	0	256.305	3.153	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1cccc2oc(=S)[n-]c21	ZINC001231066624	932671659	/nfs/dbraw/zinc/67/16/59/932671659.db2.gz	ZAEARTPAIZKXEE-ZJUUUORDSA-N	-1	0	259.330	3.297	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)NC(C)=CC(C)=O	ZINC001249708860	932716734	/nfs/dbraw/zinc/71/67/34/932716734.db2.gz	RLNMLZMDCIBYLW-HJWRWDBZSA-N	-1	0	280.418	3.188	20	30		CGEDRM
COC(=O)c1cccc(/C=C\C(=O)c2ccc(C)cc2[O-])c1	ZINC001319204295	933840634	/nfs/dbraw/zinc/84/06/34/933840634.db2.gz	QEJHNCMYGTYGOV-CLFYSBASSA-N	-1	0	296.322	3.383	20	30		CGEDRM
Cc1cc(C#N)cc(NC(=O)c2cc(F)cc(F)c2[O-])c1	ZINC001468963520	937733825	/nfs/dbraw/zinc/73/38/25/937733825.db2.gz	CTGLMRJDHCKDSV-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
COC(=O)c1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1	ZINC001320799271	934105298	/nfs/dbraw/zinc/10/52/98/934105298.db2.gz	SWOZTBPXYMWQFY-ZSOIEALJSA-N	-1	0	294.306	3.001	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1	ZINC001326614355	934994004	/nfs/dbraw/zinc/99/40/04/934994004.db2.gz	NMDMIXBAWLLVMB-UHFFFAOYSA-N	-1	0	299.292	3.361	20	30		CGEDRM
C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(C#N)c([O-])c1	ZINC001539148413	938123325	/nfs/dbraw/zinc/12/33/25/938123325.db2.gz	HFYHUDYHJZEMOY-GFCCVEGCSA-N	-1	0	292.338	3.245	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H](C)c1nn(C)cc1[O-]	ZINC001558682370	938217040	/nfs/dbraw/zinc/21/70/40/938217040.db2.gz	BFBXEGOGLWVOIV-GFCCVEGCSA-N	-1	0	281.400	3.054	20	30		CGEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C2CCCCC2)cc1	ZINC001602695535	971308913	/nfs/dbraw/zinc/30/89/13/971308913.db2.gz	ISZUBCDAIFUMIE-UHFFFAOYSA-N	-1	0	285.387	3.254	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001602713172	971361416	/nfs/dbraw/zinc/36/14/16/971361416.db2.gz	OLNUXXGRLGCVBR-OAHLLOKOSA-N	-1	0	281.311	3.293	20	30		CGEDRM
C=CCC1(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)CCCC1	ZINC001602718657	971376504	/nfs/dbraw/zinc/37/65/04/971376504.db2.gz	RCYWTXGTHRVFKE-KRWDZBQOSA-N	-1	0	291.391	3.050	20	30		CGEDRM
CCCCCCCCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000164127531	949411883	/nfs/dbraw/zinc/41/18/83/949411883.db2.gz	YXFBMBQKVMGDNM-LBPRGKRZSA-N	-1	0	271.401	3.210	20	30		CGEDRM
Cc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])s1	ZINC000235767083	949879321	/nfs/dbraw/zinc/87/93/21/949879321.db2.gz	QERMQHLTVGRDEG-UHFFFAOYSA-N	-1	0	272.329	3.239	20	30		CGEDRM
Cc1cc(NC(=O)CCCCCC#N)ccc1C(=O)[O-]	ZINC001594317289	958080160	/nfs/dbraw/zinc/08/01/60/958080160.db2.gz	YUBBGGBYVIHDQZ-UHFFFAOYSA-N	-1	0	274.320	3.106	20	30		CGEDRM
CCCCCCCCC(=O)N[C@](C)(CC)C(=O)[O-]	ZINC000129152661	958695361	/nfs/dbraw/zinc/69/53/61/958695361.db2.gz	FLPCQWDSHMIYRX-CQSZACIVSA-N	-1	0	257.374	3.107	20	30		CGEDRM
Cc1ccc(OCc2ccc(C#N)cc2C)c(C(=O)[O-])c1	ZINC000165105961	959270688	/nfs/dbraw/zinc/27/06/88/959270688.db2.gz	SVZQNLBXGLWIQM-UHFFFAOYSA-N	-1	0	281.311	3.452	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)OCc1cc(C(=O)[O-])sc1C	ZINC001602810407	960549372	/nfs/dbraw/zinc/54/93/72/960549372.db2.gz	YAKFSYZNMHATLE-CQSZACIVSA-N	-1	0	282.361	3.400	20	30		CGEDRM
O=C([O-])c1cc(Cl)ccc1C(=O)/C=C\c1nccs1	ZINC001602265739	960549699	/nfs/dbraw/zinc/54/96/99/960549699.db2.gz	KQYKHDRQEJCYET-ARJAWSKDSA-N	-1	0	293.731	3.391	20	30		CGEDRM
C=CCCCCN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC001602869404	960550966	/nfs/dbraw/zinc/55/09/66/960550966.db2.gz	CIBMFEJJWOCUBA-ZDUSSCGKSA-N	-1	0	259.349	3.421	20	30		CGEDRM
C=C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)[O-]	ZINC001602828345	960551482	/nfs/dbraw/zinc/55/14/82/960551482.db2.gz	BYNKCAPYWRRAFZ-VIFPVBQESA-N	-1	0	293.373	3.013	20	30		CGEDRM
C#CCCCCCC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC001573302098	962644729	/nfs/dbraw/zinc/64/47/29/962644729.db2.gz	QKDGQJOSGAWEEQ-UHFFFAOYSA-N	-1	0	293.407	3.254	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)cc1OCCC	ZINC001573336294	962858561	/nfs/dbraw/zinc/85/85/61/962858561.db2.gz	AQKBUAOJTXCYNM-UHFFFAOYSA-N	-1	0	291.347	3.143	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC001573337900	962869828	/nfs/dbraw/zinc/86/98/28/962869828.db2.gz	SXBYBQFTCAGLOL-UHFFFAOYSA-N	-1	0	287.237	3.065	20	30		CGEDRM
C=CC[C@H]1CCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC001573353223	962999633	/nfs/dbraw/zinc/99/96/33/962999633.db2.gz	SDCPJTIKIVRSKO-QWHCGFSZSA-N	-1	0	265.740	3.116	20	30		CGEDRM
C=CCCCCCCCNC(=O)c1ccc(C(=O)[O-])o1	ZINC001573366667	963061158	/nfs/dbraw/zinc/06/11/58/963061158.db2.gz	OATMIQASBHUMOA-UHFFFAOYSA-N	-1	0	279.336	3.234	20	30		CGEDRM
C#Cc1cccc(CNc2nc(Cl)c(C(=O)[O-])s2)c1	ZINC001588522243	963279592	/nfs/dbraw/zinc/27/95/92/963279592.db2.gz	KXFLDSNNKSVNND-UHFFFAOYSA-N	-1	0	292.747	3.088	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-]	ZINC001588535279	963282018	/nfs/dbraw/zinc/28/20/18/963282018.db2.gz	GRSSZJGHYRGGGP-WBMJQRKESA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(C)CCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21	ZINC001588555099	963283590	/nfs/dbraw/zinc/28/35/90/963283590.db2.gz	YUHVRDYPGNGESM-QGZVFWFLSA-N	-1	0	297.354	3.438	20	30		CGEDRM
C=C(C)CCC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1	ZINC001588555028	963284568	/nfs/dbraw/zinc/28/45/68/963284568.db2.gz	XKYXYJYYMJUHBI-OAHLLOKOSA-N	-1	0	289.375	3.407	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCc1cc(C)no1	ZINC001588577353	963287292	/nfs/dbraw/zinc/28/72/92/963287292.db2.gz	SGIHNLJTTQYYKI-UHFFFAOYSA-N	-1	0	287.315	3.379	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1/C=C\c1ccccc1	ZINC001588615404	963289186	/nfs/dbraw/zinc/28/91/86/963289186.db2.gz	SSHDDQBAGFHIFE-BLIJAFNYSA-N	-1	0	299.370	3.112	20	30		CGEDRM
C=C[C@@](C)(CC)COC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001588683210	963297225	/nfs/dbraw/zinc/29/72/25/963297225.db2.gz	VUODJFUBSMMNSZ-INIZCTEOSA-N	-1	0	276.332	3.073	20	30		CGEDRM
C=C[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl	ZINC001588663661	963300840	/nfs/dbraw/zinc/30/08/40/963300840.db2.gz	IUSMRSIKNOTZNF-NSHDSACASA-N	-1	0	274.147	3.064	20	30		CGEDRM
C=C1CC(C)(c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)C1	ZINC001588644203	963301335	/nfs/dbraw/zinc/30/13/35/963301335.db2.gz	HHJVCVJHIRVLJO-GHMZBOCLSA-N	-1	0	276.336	3.036	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588719165	963302200	/nfs/dbraw/zinc/30/22/00/963302200.db2.gz	MLBXSXDQONUOIV-NSHDSACASA-N	-1	0	292.310	3.096	20	30		CGEDRM
C=C[C@H](CC)CC(=O)OCc1cc(C(=O)[O-])ccc1C	ZINC001588693153	963302658	/nfs/dbraw/zinc/30/26/58/963302658.db2.gz	SDPGSGORZQWZID-GFCCVEGCSA-N	-1	0	276.332	3.339	20	30		CGEDRM
C=C[C@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)[O-]	ZINC001588702587	963302941	/nfs/dbraw/zinc/30/29/41/963302941.db2.gz	VLVICRKIEQCSLF-KRWDZBQOSA-N	-1	0	297.354	3.455	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(CCC(=O)[O-])c1cccc(F)c1	ZINC001588691163	963306139	/nfs/dbraw/zinc/30/61/39/963306139.db2.gz	SOQDGKDGHPFUQE-LBPRGKRZSA-N	-1	0	293.338	3.236	20	30		CGEDRM
C=CC1(CC(=O)N(C)C2(C(=O)[O-])CCCC2)CCCCC1	ZINC001588714780	963307340	/nfs/dbraw/zinc/30/73/40/963307340.db2.gz	NITAKCZQVGIQMI-UHFFFAOYSA-N	-1	0	293.407	3.369	20	30		CGEDRM
C=CCC(C)(C)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1	ZINC001588736824	963309159	/nfs/dbraw/zinc/30/91/59/963309159.db2.gz	VVKPRRYPQYEVNL-VIFPVBQESA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)c(CC)s1)C(=O)[O-]	ZINC001588793025	963316287	/nfs/dbraw/zinc/31/62/87/963316287.db2.gz	RJRKCGHPXZUQAL-LLVKDONJSA-N	-1	0	295.404	3.158	20	30		CGEDRM
C=CCCCCCSCc1cnc(C(=O)[O-])cn1	ZINC001588799757	963320383	/nfs/dbraw/zinc/32/03/83/963320383.db2.gz	GHCUIUXKVBVCRC-UHFFFAOYSA-N	-1	0	266.366	3.154	20	30		CGEDRM
C=CCN(C(=O)c1c(C)coc1CC(=O)[O-])c1ccccc1	ZINC001588820562	963322321	/nfs/dbraw/zinc/32/23/21/963322321.db2.gz	LDHWWEFLIMNUTM-UHFFFAOYSA-N	-1	0	299.326	3.048	20	30		CGEDRM
C=CCc1ccccc1OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588886749	963327980	/nfs/dbraw/zinc/32/79/80/963327980.db2.gz	QFNIIUNCHUSHKR-HDJSIYSDSA-N	-1	0	288.343	3.212	20	30		CGEDRM
C/C(=C/C(=O)[O-])CSc1ccc(C#N)cc1Cl	ZINC001588951562	963330981	/nfs/dbraw/zinc/33/09/81/963330981.db2.gz	CLJFFYDMGFBNOU-YWEYNIOJSA-N	-1	0	267.737	3.335	20	30		CGEDRM
CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccccc1	ZINC001589017319	963344737	/nfs/dbraw/zinc/34/47/37/963344737.db2.gz	ITYWROVBHYALMV-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
C=CCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC000315146491	963861632	/nfs/dbraw/zinc/86/16/32/963861632.db2.gz	ORNVXUCXXGHCKU-UHFFFAOYSA-N	-1	0	298.289	3.141	20	30		CGEDRM
C#CCCCC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001588439693	964030456	/nfs/dbraw/zinc/03/04/56/964030456.db2.gz	DYEXNXGWIWRQDT-OAHLLOKOSA-N	-1	0	286.327	3.109	20	30		CGEDRM
CCCCCCCCNC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000159420662	967652537	/nfs/dbraw/zinc/65/25/37/967652537.db2.gz	XBRKENYUFAHEJT-UHFFFAOYSA-N	-1	0	293.367	3.262	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000396620979	972924841	/nfs/dbraw/zinc/92/48/41/972924841.db2.gz	KROKCJVUYYOFFQ-WCQYABFASA-N	-1	0	290.363	3.351	20	30		CGEDRM
C[C@@H](CC#N)N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC001592221340	977397048	/nfs/dbraw/zinc/39/70/48/977397048.db2.gz	CBKNJYALJKOLCK-WRWORJQWSA-N	-1	0	287.146	3.011	20	30		CGEDRM
CC(C[C@@H]1CCOC1)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001592464463	978199167	/nfs/dbraw/zinc/19/91/67/978199167.db2.gz	RYCJEARFPZQGJN-JTQLQIEISA-N	-1	0	296.754	3.253	20	30		CGEDRM
CC[C@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001595358266	980730513	/nfs/dbraw/zinc/73/05/13/980730513.db2.gz	HYKXCIQJHHBRNN-QMMMGPOBSA-N	-1	0	255.726	3.167	20	30		CGEDRM
CCC[C@@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC001595988098	983242192	/nfs/dbraw/zinc/24/21/92/983242192.db2.gz	YEMXJBMTPUAREO-NGWPFTMJSA-N	-1	0	271.316	3.218	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2ccc(C)c(C(=O)[O-])c2)C1(C)C	ZINC001596805207	985333617	/nfs/dbraw/zinc/33/36/17/985333617.db2.gz	UYYICMYHKRLUPF-CQSZACIVSA-N	-1	0	290.363	3.296	20	30		CGEDRM
CC(C)CCN(CCC#N)c1ncc(C(=O)[O-])cc1Cl	ZINC001591245336	992134905	/nfs/dbraw/zinc/13/49/05/992134905.db2.gz	OGXMYZJWELTRQW-UHFFFAOYSA-N	-1	0	295.770	3.199	20	30		CGEDRM
COCc1cc(NCc2cccc(C#N)c2)cc(C(=O)[O-])c1	ZINC001599289909	997046729	/nfs/dbraw/zinc/04/67/29/997046729.db2.gz	QJXBWFSYRGWZEA-UHFFFAOYSA-N	-1	0	296.326	3.015	20	30		CGEDRM
C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(CC#N)cc1	ZINC001594185749	998719886	/nfs/dbraw/zinc/71/98/86/998719886.db2.gz	RPOKMLGQUCOEFM-UXIGCNINSA-N	-1	0	272.348	3.054	20	30		CGEDRM
CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000329101650	529537560	/nfs/dbraw/zinc/53/75/60/529537560.db2.gz	NCUHIEXJBUUFTB-NHYWBVRUSA-N	-1	0	286.335	3.202	20	30		CGEDRM
Cc1cc(NCC(C)(C)CCC#N)ccc1C(=O)[O-]	ZINC000591270436	346913007	/nfs/dbraw/zinc/91/30/07/346913007.db2.gz	LUURTNOJTBZIFU-UHFFFAOYSA-N	-1	0	260.337	3.435	20	30		CGEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000052856396	345108146	/nfs/dbraw/zinc/10/81/46/345108146.db2.gz	QOXIKQTVYWWAFJ-NSHDSACASA-N	-1	0	292.766	3.293	20	30		CGEDRM
N#Cc1cc(NC2(CC(=O)[O-])CCC2)ccc1C(F)(F)F	ZINC000163873692	346181833	/nfs/dbraw/zinc/18/18/33/346181833.db2.gz	ULOZSFXQRGNRRB-UHFFFAOYSA-N	-1	0	298.264	3.386	20	30		CGEDRM
Cc1cc(-c2ccccc2C(=O)[O-])ccc1CC#N	ZINC000567979557	346664016	/nfs/dbraw/zinc/66/40/16/346664016.db2.gz	RTOFWYDFEYILEK-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
C[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1cccc(C#N)c1	ZINC000587988976	346743998	/nfs/dbraw/zinc/74/39/98/346743998.db2.gz	URSOVHRVYKUJOT-SSDOTTSWSA-N	-1	0	298.293	3.024	20	30		CGEDRM
C=CCCSCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000594734725	347214986	/nfs/dbraw/zinc/21/49/86/347214986.db2.gz	AISMBYDWJMSMBK-UHFFFAOYSA-N	-1	0	296.348	3.014	20	30		CGEDRM
Cc1ccccc1-c1nc(=NCCCCC#N)s[n-]1	ZINC000599040993	347708792	/nfs/dbraw/zinc/70/87/92/347708792.db2.gz	PDHAXTSTNSFPHM-UHFFFAOYSA-N	-1	0	272.377	3.041	20	30		CGEDRM
Cc1[n-]n(-c2cccc3c2CCCC3)c(=O)c1CCC#N	ZINC000601936930	347926666	/nfs/dbraw/zinc/92/66/66/347926666.db2.gz	DWFVIDLZDOKIAA-CQSZACIVSA-N	-1	0	281.359	3.208	20	30		CGEDRM
Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1C	ZINC000603748256	348094322	/nfs/dbraw/zinc/09/43/22/348094322.db2.gz	JJKQCIOFVUMUGM-ALCCZGGFSA-N	-1	0	278.311	3.439	20	30		CGEDRM
C=CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000630290549	350821483	/nfs/dbraw/zinc/82/14/83/350821483.db2.gz	XKWCMCIYZQZCMS-KBPBESRZSA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccccc1C(C)C)C(=O)[O-]	ZINC000630951965	350914183	/nfs/dbraw/zinc/91/41/83/350914183.db2.gz	SCTMSABOKLFRFD-CQSZACIVSA-N	-1	0	290.363	3.351	20	30		CGEDRM
C=CCN1CC[C@H](C(=O)[O-])c2cc(Br)ccc21	ZINC000635017899	351633100	/nfs/dbraw/zinc/63/31/00/351633100.db2.gz	BPKSHQFDHRHIFT-JTQLQIEISA-N	-1	0	296.164	3.013	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(F)cc1[O-]	ZINC000123895230	187113532	/nfs/dbraw/zinc/11/35/32/187113532.db2.gz	JMIBWZYEYOQKHD-UHFFFAOYSA-N	-1	0	265.328	3.350	20	30		CGEDRM
N#Cc1ccc(C(=O)N2CCc3cc(Cl)ccc32)cc1[O-]	ZINC000341706793	216075914	/nfs/dbraw/zinc/07/59/14/216075914.db2.gz	HTZPYFBLNUIMKK-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
CCC(CC)(CNc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000137661548	371499727	/nfs/dbraw/zinc/49/97/27/371499727.db2.gz	GXXVXUAZCSWBFV-UHFFFAOYSA-N	-1	0	264.300	3.000	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000293805780	372488318	/nfs/dbraw/zinc/48/83/18/372488318.db2.gz	PYXXBQHWWMAEKD-UHFFFAOYSA-N	-1	0	287.281	3.142	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000316257612	374331982	/nfs/dbraw/zinc/33/19/82/374331982.db2.gz	FURSALUVLHYAGA-AWEZNQCLSA-N	-1	0	290.363	3.351	20	30		CGEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000330270058	374453173	/nfs/dbraw/zinc/45/31/73/374453173.db2.gz	SUKAOGUWTFFERQ-GARJFASQSA-N	-1	0	280.397	3.223	20	30		CGEDRM
C=CC1CCN(C(=O)CCCc2ccc(O)c(F)c2)CC1	ZINC000468775962	374984310	/nfs/dbraw/zinc/98/43/10/374984310.db2.gz	BEZUQTAIVSOSHM-UHFFFAOYSA-N	-1	0	291.366	3.279	20	30		CGEDRM
N#Cc1cccnc1/C=C/c1ccc([O-])c(Cl)c1	ZINC000336157161	375734219	/nfs/dbraw/zinc/73/42/19/375734219.db2.gz	UKOPBEUVTLNLQG-HWKANZROSA-N	-1	0	256.692	3.483	20	30		CGEDRM
Cc1cc2cc(C([O-])=C(C#N)c3ccncn3)oc2cc1C	ZINC000526107518	375891197	/nfs/dbraw/zinc/89/11/97/375891197.db2.gz	QAWSFZOVGLSBDE-ZDUSSCGKSA-N	-1	0	291.310	3.330	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)s1	ZINC000224558385	376284393	/nfs/dbraw/zinc/28/43/93/376284393.db2.gz	MNGSAVAOJUGPBJ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C[C@@H](CC#N)N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1	ZINC000561678187	377237943	/nfs/dbraw/zinc/23/79/43/377237943.db2.gz	MHWAAJJQYQLJOX-ZETCQYMHSA-N	-1	0	297.145	3.179	20	30		CGEDRM
Cc1cc2occ(C([O-])=C(C#N)c3ccncn3)c2cc1C	ZINC000352367917	379782755	/nfs/dbraw/zinc/78/27/55/379782755.db2.gz	QZLLNZWCTJRHHJ-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C[C@@H]1CCc2sc(C([O-])=C(C#N)c3ccncn3)cc2C1	ZINC000354481816	380454531	/nfs/dbraw/zinc/45/45/31/380454531.db2.gz	YQEYLSFZDSEHHC-PWSUYJOCSA-N	-1	0	297.383	3.153	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(C2CC2)cs1	ZINC000647370933	392710429	/nfs/dbraw/zinc/71/04/29/392710429.db2.gz	GHGNBTWBPKDJQG-CYBMUJFWSA-N	-1	0	293.351	3.382	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(C2CC2)cs1	ZINC000647370934	392710740	/nfs/dbraw/zinc/71/07/40/392710740.db2.gz	GHGNBTWBPKDJQG-ZDUSSCGKSA-N	-1	0	293.351	3.382	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647376034	392711614	/nfs/dbraw/zinc/71/16/14/392711614.db2.gz	KZIPYCIPXOIHCJ-SNVBAGLBSA-N	-1	0	272.329	3.412	20	30		CGEDRM
N#CC(=C([O-])c1cncc(F)c1)c1nc(C2CC2)cs1	ZINC000647378352	392711842	/nfs/dbraw/zinc/71/18/42/392711842.db2.gz	QFQVICSRNGDRAD-NSHDSACASA-N	-1	0	287.319	3.045	20	30		CGEDRM
Cc1c2cccc(C)c2oc1C([O-])=C(C#N)c1ccncn1	ZINC000354466014	227004594	/nfs/dbraw/zinc/00/45/94/227004594.db2.gz	MDRLOXXGMLMKOW-ZDUSSCGKSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659167902	418963448	/nfs/dbraw/zinc/96/34/48/418963448.db2.gz	RFZNBMRPOVLSER-YPMHNXCESA-N	-1	0	291.347	3.151	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000659166298	418963467	/nfs/dbraw/zinc/96/34/67/418963467.db2.gz	JYKCVLGFPBGIAL-PPWQZUPISA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000659416098	418983861	/nfs/dbraw/zinc/98/38/61/418983861.db2.gz	UIFHNUGWXUWLSV-ZDUSSCGKSA-N	-1	0	298.427	3.167	20	30		CGEDRM
C=CCCC1(CNC(=O)N(CC(=O)[O-])C(C)C)CCCC1	ZINC000656588732	419185809	/nfs/dbraw/zinc/18/58/09/419185809.db2.gz	RTYQBMMFZPCRAD-UHFFFAOYSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000076765583	260166635	/nfs/dbraw/zinc/16/66/35/260166635.db2.gz	YQUWMZIBWWUUPC-GHMZBOCLSA-N	-1	0	299.367	3.297	20	30		CGEDRM
C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ncn(C)n1	ZINC000275404713	263033094	/nfs/dbraw/zinc/03/30/94/263033094.db2.gz	BQHYTIGPMHYFPL-PCCAMLSSSA-N	-1	0	299.161	3.008	20	30		CGEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(F)cc2C#N)n1	ZINC000564102129	322020736	/nfs/dbraw/zinc/02/07/36/322020736.db2.gz	PTBWCKIFXXRKAP-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)cc1	ZINC000049417961	328361549	/nfs/dbraw/zinc/36/15/49/328361549.db2.gz	LEPABYUZTGVICA-VMPITWQZSA-N	-1	0	287.768	3.048	20	30		CGEDRM
C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC=CCC1	ZINC000331322247	327392359	/nfs/dbraw/zinc/39/23/59/327392359.db2.gz	FJZGEMLPOXHPFQ-CQSZACIVSA-N	-1	0	276.292	3.104	20	30		CGEDRM
O=C1c2c(F)ccc(F)c2OC/C1=C/c1ccc(O)cc1	ZINC000181472623	329233332	/nfs/dbraw/zinc/23/33/32/329233332.db2.gz	MCEWZXMAVNPUJJ-YFHOEESVSA-N	-1	0	288.249	3.329	20	30		CGEDRM
CCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(C)n1	ZINC000184547827	329259767	/nfs/dbraw/zinc/25/97/67/329259767.db2.gz	BORSLJLHLQGOGK-CYBMUJFWSA-N	-1	0	285.372	3.207	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000041554107	329565984	/nfs/dbraw/zinc/56/59/84/329565984.db2.gz	GIPFVOIDHFMGFF-SNVBAGLBSA-N	-1	0	294.232	3.492	20	30		CGEDRM
C=CC[C@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1	ZINC000489048483	332039460	/nfs/dbraw/zinc/03/94/60/332039460.db2.gz	UKZYIROZSOAKGW-HNNXBMFYSA-N	-1	0	293.370	3.074	20	30		CGEDRM
C#C[C@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000491637086	332257886	/nfs/dbraw/zinc/25/78/86/332257886.db2.gz	UJDFTTBJMPMZBR-JTQLQIEISA-N	-1	0	287.746	3.293	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	ZINC000262825058	334574663	/nfs/dbraw/zinc/57/46/63/334574663.db2.gz	FIJFJESEDPEKHJ-YJNKXOJESA-N	-1	0	293.407	3.129	20	30		CGEDRM
Cc1c2ccccc2oc1C([O-])=C(C#N)c1ccncn1	ZINC000354473841	533972603	/nfs/dbraw/zinc/97/26/03/533972603.db2.gz	QJBZMTNHLLDBBP-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C[C@@H]1CCc2c(C([O-])=C(C#N)c3ccncn3)csc2C1	ZINC000354463546	534267570	/nfs/dbraw/zinc/26/75/70/534267570.db2.gz	ITKMCJTUZVGSCA-PWSUYJOCSA-N	-1	0	297.383	3.153	20	30		CGEDRM
CCNc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1F	ZINC000436758823	528427322	/nfs/dbraw/zinc/42/73/22/528427322.db2.gz	ZOTHBKRGJHIWSY-UHFFFAOYSA-N	-1	0	299.305	3.087	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1	ZINC000738471627	571784732	/nfs/dbraw/zinc/78/47/32/571784732.db2.gz	VCWKGFKTHNOROA-UHFFFAOYSA-N	-1	0	298.273	3.149	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(NC(=O)[O-])cc1)C(C)C	ZINC000738489920	572377502	/nfs/dbraw/zinc/37/75/02/572377502.db2.gz	LCYMFOAXNLQUDY-UHFFFAOYSA-N	-1	0	277.324	3.205	20	30		CGEDRM
Cc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000738627011	572383261	/nfs/dbraw/zinc/38/32/61/572383261.db2.gz	AWIAASFJJPUVFW-HNNXBMFYSA-N	-1	0	266.300	3.105	20	30		CGEDRM
CCc1ccc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000731150968	572396717	/nfs/dbraw/zinc/39/67/17/572396717.db2.gz	KGSMFGATTYZSSK-UHFFFAOYSA-N	-1	0	274.345	3.455	20	30		CGEDRM
N#Cc1ccc(SCc2ccc(F)cc2C(=O)[O-])nc1	ZINC000739132881	572402873	/nfs/dbraw/zinc/40/28/73/572402873.db2.gz	VQELBUSXYWZOEG-UHFFFAOYSA-N	-1	0	288.303	3.083	20	30		CGEDRM
Cn1cc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc21	ZINC000739025808	572404098	/nfs/dbraw/zinc/40/40/98/572404098.db2.gz	LJZNPMZTGJRCNR-VURMDHGXSA-N	-1	0	295.294	3.366	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740315035	572439377	/nfs/dbraw/zinc/43/93/77/572439377.db2.gz	JYBHKPIHXYZPIK-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
COc1ccc(C)cc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000744516962	572761000	/nfs/dbraw/zinc/76/10/00/572761000.db2.gz	VDMCYTFEJRBZIS-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
C[C@H](Oc1cccc(C(=O)/C=C\c2ccccc2)c1)C(=O)[O-]	ZINC000745022177	572788935	/nfs/dbraw/zinc/78/89/35/572788935.db2.gz	YFNYPCXDKQLYAR-OEYXZAGESA-N	-1	0	296.322	3.435	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1	ZINC000748022151	572958126	/nfs/dbraw/zinc/95/81/26/572958126.db2.gz	JXBBAVXFAJUADX-UHFFFAOYSA-N	-1	0	289.693	3.418	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3occc3s2)c1	ZINC000748411561	572976427	/nfs/dbraw/zinc/97/64/27/572976427.db2.gz	SYMMEMQJWMSBCD-UHFFFAOYSA-N	-1	0	284.296	3.324	20	30		CGEDRM
[O-]c1c(F)cc(C=NNc2ccnc3ccccc32)cc1F	ZINC000749859744	573048828	/nfs/dbraw/zinc/04/88/28/573048828.db2.gz	STRBXOPPKMHTMQ-UHFFFAOYSA-N	-1	0	299.280	3.087	20	30		CGEDRM
Cc1ncsc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000749892953	573050252	/nfs/dbraw/zinc/05/02/52/573050252.db2.gz	VVRIEUPJEHPBMF-NSCUHMNNSA-N	-1	0	281.283	3.331	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000158302239	598201600	/nfs/dbraw/zinc/20/16/00/598201600.db2.gz	HCYCFIYMJKNMQG-BQYQJAHWSA-N	-1	0	277.279	3.153	20	30		CGEDRM
CCC(CC)CN(CCC#N)Cc1cc(C(=O)[O-])oc1C	ZINC000828859093	601017605	/nfs/dbraw/zinc/01/76/05/601017605.db2.gz	OINSYTYAWLMCED-UHFFFAOYSA-N	-1	0	292.379	3.438	20	30		CGEDRM
N#Cc1c(F)cccc1NCCCCCCC(=O)[O-]	ZINC000093396041	599706270	/nfs/dbraw/zinc/70/62/70/599706270.db2.gz	PFVFJSVQZGSVPB-UHFFFAOYSA-N	-1	0	264.300	3.144	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000405458124	600267888	/nfs/dbraw/zinc/26/78/88/600267888.db2.gz	UQRKCKPJAPVYMC-CQSZACIVSA-N	-1	0	295.423	3.450	20	30		CGEDRM
Cc1cc(OCc2ccccc2C#N)c(C(=O)[O-])s1	ZINC000070428960	600639075	/nfs/dbraw/zinc/63/90/75/600639075.db2.gz	VVBNZPXVYOMNDZ-UHFFFAOYSA-N	-1	0	273.313	3.205	20	30		CGEDRM
CC(C)(C#N)CCCN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000134208658	601114083	/nfs/dbraw/zinc/11/40/83/601114083.db2.gz	GYWYOPYUQWSFFO-ZDUSSCGKSA-N	-1	0	286.375	3.395	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000825671291	601127497	/nfs/dbraw/zinc/12/74/97/601127497.db2.gz	KROLQTYUPOSGGC-UHFFFAOYSA-N	-1	0	267.712	3.333	20	30		CGEDRM
C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000827860190	601132704	/nfs/dbraw/zinc/13/27/04/601132704.db2.gz	AWZKLFBCBQIWMZ-LLVKDONJSA-N	-1	0	295.294	3.174	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000136020933	601139112	/nfs/dbraw/zinc/13/91/12/601139112.db2.gz	BJKXBYZOLJARAS-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
C#CCN(CC)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000825614659	601226982	/nfs/dbraw/zinc/22/69/82/601226982.db2.gz	TUCCDNQWVGRESA-LBPRGKRZSA-N	-1	0	286.158	3.074	20	30		CGEDRM
N#Cc1cccc([C@@H](Nc2ccc3[nH]ccc3c2)C(=O)[O-])c1	ZINC000833075970	601305813	/nfs/dbraw/zinc/30/58/13/601305813.db2.gz	PCYSYEXFPWENDW-MRXNPFEDSA-N	-1	0	291.310	3.277	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CSc3ccccc3C2=O)[nH]1	ZINC000833311667	601331022	/nfs/dbraw/zinc/33/10/22/601331022.db2.gz	AAEDBAHFGVPUCU-CLFYSBASSA-N	-1	0	285.324	3.085	20	30		CGEDRM
CCCCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829356671	601349147	/nfs/dbraw/zinc/34/91/47/601349147.db2.gz	GIUYLBUPJHLGEC-OAHLLOKOSA-N	-1	0	289.331	3.198	20	30		CGEDRM
CCCCC[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000829312663	601365620	/nfs/dbraw/zinc/36/56/20/601365620.db2.gz	YGHBNAIEFFNMFH-PFSWGADMSA-N	-1	0	283.755	3.498	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)s1	ZINC000833070742	601381024	/nfs/dbraw/zinc/38/10/24/601381024.db2.gz	SMNRUWAVKPKJGF-UHFFFAOYSA-N	-1	0	297.295	3.035	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2c(C)cccc2Cl)[n-]1	ZINC000899351974	620648649	/nfs/dbraw/zinc/64/86/49/620648649.db2.gz	VXAHQGBABFJBLU-UHFFFAOYSA-N	-1	0	260.724	3.155	20	30		CGEDRM
C=CCCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000825671381	601430445	/nfs/dbraw/zinc/43/04/45/601430445.db2.gz	OBQSLDJRRIEGHZ-ZDUSSCGKSA-N	-1	0	282.723	3.365	20	30		CGEDRM
Cc1cc(C)cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832874739	601793046	/nfs/dbraw/zinc/79/30/46/601793046.db2.gz	LODZERZKZQOPRH-ONEGZZNKSA-N	-1	0	269.300	3.226	20	30		CGEDRM
N#Cc1cc(F)c(NCc2cccc(C(=O)[O-])c2)c(F)c1	ZINC000126926318	601933234	/nfs/dbraw/zinc/93/32/34/601933234.db2.gz	IBVGJUXUTOTCRN-UHFFFAOYSA-N	-1	0	288.253	3.147	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823490591	603387448	/nfs/dbraw/zinc/38/74/48/603387448.db2.gz	GYTOGXPUGLYRHX-MNOVXSKESA-N	-1	0	291.351	3.101	20	30		CGEDRM
C=C(C)CCOC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823475102	603518210	/nfs/dbraw/zinc/51/82/10/603518210.db2.gz	VQLJLSSWGKDUGZ-TZMCWYRMSA-N	-1	0	291.347	3.141	20	30		CGEDRM
CCc1onc(C)c1/C=C\C(=O)c1ccc(OC)cc1[O-]	ZINC000899362336	620669146	/nfs/dbraw/zinc/66/91/46/620669146.db2.gz	QKAJSPBSXBJFFF-FPLPWBNLSA-N	-1	0	287.315	3.156	20	30		CGEDRM
Cc1[n-]n(-c2cc(Cl)ccc2C)c(=O)c1CCC#N	ZINC000899362639	620671564	/nfs/dbraw/zinc/67/15/64/620671564.db2.gz	YXGGVLLVWNIEMT-LBPRGKRZSA-N	-1	0	275.739	3.291	20	30		CGEDRM
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc21	ZINC000833631050	604605111	/nfs/dbraw/zinc/60/51/11/604605111.db2.gz	ZMICSKWIGWGZGU-GFCCVEGCSA-N	-1	0	292.338	3.380	20	30		CGEDRM
C[C@H](CSCc1ccccc1C(C)(C)C#N)C(=O)[O-]	ZINC000827580755	604746340	/nfs/dbraw/zinc/74/63/40/604746340.db2.gz	GICAPGKKOYWIRN-LLVKDONJSA-N	-1	0	277.389	3.442	20	30		CGEDRM
C=C[C@@H](CC(=O)O[C@@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000833370345	604782124	/nfs/dbraw/zinc/78/21/24/604782124.db2.gz	BZRDFEHJLKHDKZ-ZFWWWQNUSA-N	-1	0	290.359	3.389	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc[nH]1	ZINC000833386503	605155939	/nfs/dbraw/zinc/15/59/39/605155939.db2.gz	KRICQWDTSDWNDI-UHFFFAOYSA-N	-1	0	277.711	3.202	20	30		CGEDRM
C=C(Cl)CSCCOc1ccccc1C(=O)[O-]	ZINC000833371070	605161240	/nfs/dbraw/zinc/16/12/40/605161240.db2.gz	VHGUBJSRKXDOEQ-UHFFFAOYSA-N	-1	0	272.753	3.249	20	30		CGEDRM
C=CCCC[C@H](C)Nc1nc(Cl)c(C(=O)[O-])s1	ZINC000398202232	605243653	/nfs/dbraw/zinc/24/36/53/605243653.db2.gz	GASUETGPTWMGHT-ZETCQYMHSA-N	-1	0	274.773	3.073	20	30		CGEDRM
CN(Cc1cccc(NCc2ccc(C#N)cc2)c1)C(=O)[O-]	ZINC000828375669	605245720	/nfs/dbraw/zinc/24/57/20/605245720.db2.gz	PFJQTIJWHHCVJN-UHFFFAOYSA-N	-1	0	295.342	3.280	20	30		CGEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1cc(Cl)ccn1	ZINC000833804621	605387952	/nfs/dbraw/zinc/38/79/52/605387952.db2.gz	WTYVDHGZJRPUTC-NSHDSACASA-N	-1	0	296.758	3.055	20	30		CGEDRM
C=CCCC(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC000833373121	605813312	/nfs/dbraw/zinc/81/33/12/605813312.db2.gz	GSFZESVPUWQVBV-UHFFFAOYSA-N	-1	0	268.696	3.048	20	30		CGEDRM
C#Cc1ccc(NC(=O)[C@](C)(CC)CC(=O)[O-])c(Cl)c1	ZINC000899841834	620731447	/nfs/dbraw/zinc/73/14/47/620731447.db2.gz	GBJKGGGFASWZPH-OAHLLOKOSA-N	-1	0	293.750	3.151	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000899854247	620731952	/nfs/dbraw/zinc/73/19/52/620731952.db2.gz	HSCAREBEMULADU-UONOGXRCSA-N	-1	0	273.332	3.159	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000255040340	617773316	/nfs/dbraw/zinc/77/33/16/617773316.db2.gz	IPULUMIBGMASIA-WAYWQWQTSA-N	-1	0	255.298	3.221	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Sc1ccccc1Cl	ZINC000846549873	618094276	/nfs/dbraw/zinc/09/42/76/618094276.db2.gz	LSWTWVKPGCMOPH-VHSXEESVSA-N	-1	0	285.796	3.443	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000900319578	620780156	/nfs/dbraw/zinc/78/01/56/620780156.db2.gz	DHAYVEXFMZWGDO-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N[C@@](C)(CCF)C(=O)[O-])c1	ZINC000900355901	620782408	/nfs/dbraw/zinc/78/24/08/620782408.db2.gz	VESNUSVYAJINMG-HNNXBMFYSA-N	-1	0	294.326	3.044	20	30		CGEDRM
O=C(/C=C\c1cccnc1Cl)c1ccc(F)cc1[O-]	ZINC000255310782	618191872	/nfs/dbraw/zinc/19/18/72/618191872.db2.gz	KZHPBFVSILKRSN-UTCJRWHESA-N	-1	0	277.682	3.476	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C\c2ccccc2C#N)c1	ZINC000255335518	618208403	/nfs/dbraw/zinc/20/84/03/618208403.db2.gz	PSGIJBRJEHECNF-VURMDHGXSA-N	-1	0	279.295	3.169	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C2	ZINC000255377167	618242578	/nfs/dbraw/zinc/24/25/78/618242578.db2.gz	IUPATUNSTIXEHP-NTUHNPAUSA-N	-1	0	295.294	3.431	20	30		CGEDRM
O=C(/C=C\c1cccc(O)c1)c1ccc([O-])c(F)c1	ZINC000255439076	618495448	/nfs/dbraw/zinc/49/54/48/618495448.db2.gz	BHSKHAFTYCNDBY-XQRVVYSFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000176815439	618740031	/nfs/dbraw/zinc/74/00/31/618740031.db2.gz	ZKCHKCFWEFZICC-GFCCVEGCSA-N	-1	0	280.327	3.396	20	30		CGEDRM
C[C@@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176828779	618742390	/nfs/dbraw/zinc/74/23/90/618742390.db2.gz	TZGPFMDTCMTORK-NSHDSACASA-N	-1	0	272.348	3.419	20	30		CGEDRM
CC1(C)CCC[C@@H]1NN=Cc1cc(F)c([O-])c(F)c1	ZINC000782288632	618750525	/nfs/dbraw/zinc/75/05/25/618750525.db2.gz	RKMXJQBVTNQAHR-LBPRGKRZSA-N	-1	0	268.307	3.173	20	30		CGEDRM
CC(C)(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179731051	618800330	/nfs/dbraw/zinc/80/03/30/618800330.db2.gz	BRDWMEPYEVMOLF-UHFFFAOYSA-N	-1	0	294.354	3.471	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1O	ZINC000255864514	618810351	/nfs/dbraw/zinc/81/03/51/618810351.db2.gz	HTRPAEFMRILPHB-KXFIGUGUSA-N	-1	0	288.274	3.142	20	30		CGEDRM
COc1cc(C(=O)/C=C/c2cccs2)ccc1O	ZINC000008322712	619245189	/nfs/dbraw/zinc/24/51/89/619245189.db2.gz	JIUJLJSQOJRQOY-FNORWQNLSA-N	-1	0	260.314	3.358	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000793146047	619689046	/nfs/dbraw/zinc/68/90/46/619689046.db2.gz	OMXQWYCUAZPTQW-VIFPVBQESA-N	-1	0	278.352	3.183	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)c1	ZINC000049135058	619701580	/nfs/dbraw/zinc/70/15/80/619701580.db2.gz	HWUKYRZCFUZSDZ-LBPRGKRZSA-N	-1	0	295.404	3.385	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](C)C1CC1	ZINC000049135012	619702041	/nfs/dbraw/zinc/70/20/41/619702041.db2.gz	QVJVLRAGWVBFIS-NSHDSACASA-N	-1	0	281.377	3.076	20	30		CGEDRM
CC(F)(F)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707372	620088700	/nfs/dbraw/zinc/08/87/00/620088700.db2.gz	OKYVPOYNECUZFV-GIDUJCDVSA-N	-1	0	292.669	3.418	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC12CCC2	ZINC000799885313	620307152	/nfs/dbraw/zinc/30/71/52/620307152.db2.gz	ULBNSVFAHUXQCD-UHFFFAOYSA-N	-1	0	274.320	3.125	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000899231810	620628842	/nfs/dbraw/zinc/62/88/42/620628842.db2.gz	HHVRITDSCCVEHU-NCLIXGKISA-N	-1	0	298.169	3.294	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)c(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000901318177	620859512	/nfs/dbraw/zinc/85/95/12/620859512.db2.gz	QYHAEOGGWYVXPA-BDAKNGLRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])c(CC)o1)CC(F)(F)F	ZINC000901426226	620883616	/nfs/dbraw/zinc/88/36/16/620883616.db2.gz	DYIICRVCXHLBQP-UHFFFAOYSA-N	-1	0	291.269	3.091	20	30		CGEDRM
Cc1ccc(C(=O)C=Cc2nc(C(C)C)c[nH]2)c([O-])c1	ZINC000901483654	620909479	/nfs/dbraw/zinc/90/94/79/620909479.db2.gz	TXGZUBQRJCKPTO-SREVYHEPSA-N	-1	0	270.332	3.443	20	30		CGEDRM
C=CC[C@H](C)[C@H](C)Nc1ccc(OCC(=O)[O-])cc1	ZINC000901717135	621007054	/nfs/dbraw/zinc/00/70/54/621007054.db2.gz	NWWQNPLJQYOWNF-RYUDHWBXSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000902014408	621101211	/nfs/dbraw/zinc/10/12/11/621101211.db2.gz	FDEAVWQPGWFENB-KGLIPLIRSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000907643291	622304847	/nfs/dbraw/zinc/30/48/47/622304847.db2.gz	IDNGFEVEWNWMDS-LLVKDONJSA-N	-1	0	291.347	3.072	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C(C)(C)C)oc1C)C(=O)[O-]	ZINC000907742702	622309002	/nfs/dbraw/zinc/30/90/02/622309002.db2.gz	AYXCGUYAOAMCNX-GFCCVEGCSA-N	-1	0	293.363	3.035	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000907718127	622309437	/nfs/dbraw/zinc/30/94/37/622309437.db2.gz	CQJQXLPTKYCLDQ-SECBINFHSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000907756445	622310330	/nfs/dbraw/zinc/31/03/30/622310330.db2.gz	KJKCNPFVNROQFQ-BYCMXARLSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)CCCCC(=O)[O-])c1	ZINC000908250109	622337556	/nfs/dbraw/zinc/33/75/56/622337556.db2.gz	PXOAGNNNZOABPL-UHFFFAOYSA-N	-1	0	261.321	3.303	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910732802	622500847	/nfs/dbraw/zinc/50/08/47/622500847.db2.gz	DAXWEUSMLPSSPD-UHFFFAOYSA-N	-1	0	294.376	3.260	20	30		CGEDRM
C=CC(C)(C)CC(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000910967899	622511862	/nfs/dbraw/zinc/51/18/62/622511862.db2.gz	AYBMZFPHOXMFSU-UHFFFAOYSA-N	-1	0	275.348	3.340	20	30		CGEDRM
C=C[C@H](CC(=O)N(CCC)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000911719653	622545065	/nfs/dbraw/zinc/54/50/65/622545065.db2.gz	UCZZVUUZOQEFSC-ZIAGYGMSSA-N	-1	0	289.375	3.058	20	30		CGEDRM
O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(O)cc1[O-]	ZINC000156641014	622832045	/nfs/dbraw/zinc/83/20/45/622832045.db2.gz	HUGJCLNKDTUEGX-VMPITWQZSA-N	-1	0	294.306	3.313	20	30		CGEDRM
CC(=NOC1CCCC1)c1csc(C(=O)[O-])c1	ZINC000814894307	625665470	/nfs/dbraw/zinc/66/54/70/625665470.db2.gz	KCSOWBCVWVJLDQ-UHFFFAOYSA-N	-1	0	253.323	3.130	20	30		CGEDRM
C[C@@H]1C(=NOC2CCCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814894644	625667466	/nfs/dbraw/zinc/66/74/66/625667466.db2.gz	OUEIWOPDBVLIOW-PWSUYJOCSA-N	-1	0	267.369	3.459	20	30		CGEDRM
COC1(CC(C)N=Nc2ccc(C(=O)[O-])cc2F)CCC1	ZINC000835008784	623854644	/nfs/dbraw/zinc/85/46/44/623854644.db2.gz	OKCNAZOLLWXIPA-UHFFFAOYSA-N	-1	0	294.326	3.271	20	30		CGEDRM
N#CC(=C([O-])c1ccc(Cl)nc1)c1nc2ccccc2o1	ZINC000915104840	623896087	/nfs/dbraw/zinc/89/60/87/623896087.db2.gz	NHMKLGIJAPHALA-JTQLQIEISA-N	-1	0	297.701	3.366	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000916240546	624123740	/nfs/dbraw/zinc/12/37/40/624123740.db2.gz	GUJZXFFUPWTUJJ-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc(F)cc2F)c1	ZINC000916255138	624125804	/nfs/dbraw/zinc/12/58/04/624125804.db2.gz	DGYHOVMDFUPRSR-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
COc1ccccc1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000916240923	624126251	/nfs/dbraw/zinc/12/62/51/624126251.db2.gz	WHPOERYAVVAOGI-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
Cc1cccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000916255848	624127933	/nfs/dbraw/zinc/12/79/33/624127933.db2.gz	DYJVJGMEZDPHEX-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
O=[N+]([O-])c1cccc(NN=Cc2ccc([O-])c(Cl)c2)c1	ZINC000921251648	624577431	/nfs/dbraw/zinc/57/74/31/624577431.db2.gz	SFUAYKOTQFVTCH-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc(O)cc1	ZINC000175314832	624628611	/nfs/dbraw/zinc/62/86/11/624628611.db2.gz	DSNRKLACNSJVQA-LZCJLJQNSA-N	-1	0	276.238	3.272	20	30		CGEDRM
Cc1cc([N+](=O)[O-])ccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000184338989	625221543	/nfs/dbraw/zinc/22/15/43/625221543.db2.gz	IUHQYLMTHQDPLL-XVNBXDOJSA-N	-1	0	299.282	3.211	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@H]2CCCc3ccccc32)n1	ZINC000752158477	626420379	/nfs/dbraw/zinc/42/03/79/626420379.db2.gz	ZEGZLTULDAARCN-CYBMUJFWSA-N	-1	0	282.347	3.008	20	30		CGEDRM
CC(CC1CCCC1)=NNc1cnnc([O-])c1Cl	ZINC000752722560	626435984	/nfs/dbraw/zinc/43/59/84/626435984.db2.gz	BOWHFSHRHOUOBZ-UHFFFAOYSA-N	-1	0	268.748	3.204	20	30		CGEDRM
CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000756226598	626685284	/nfs/dbraw/zinc/68/52/84/626685284.db2.gz	VHFIPNCFHRHUBW-CZUORRHYSA-N	-1	0	298.386	3.145	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1cccc(C)c1	ZINC000756899416	626740277	/nfs/dbraw/zinc/74/02/77/626740277.db2.gz	ZPWOZRNWYPNXBK-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
COc1ccccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000757474698	626782070	/nfs/dbraw/zinc/78/20/70/626782070.db2.gz	DCRXBLWMTNUQEF-TWGQIWQCSA-N	-1	0	272.275	3.436	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cccc3c2OCO3)c([O-])c1	ZINC000757477057	626782268	/nfs/dbraw/zinc/78/22/68/626782268.db2.gz	YOIWDWCZXZTYAQ-VURMDHGXSA-N	-1	0	282.295	3.325	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2nc(Cl)cs2)s1	ZINC000759075745	626873019	/nfs/dbraw/zinc/87/30/19/626873019.db2.gz	JCHMGIRZGJOBRE-DAFODLJHSA-N	-1	0	299.760	3.452	20	30		CGEDRM
CC(=NNc1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000761868138	627069132	/nfs/dbraw/zinc/06/91/32/627069132.db2.gz	WSGWGUYQUXYUSP-UHFFFAOYSA-N	-1	0	299.161	3.269	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1occc1C	ZINC000767733833	627433752	/nfs/dbraw/zinc/43/37/52/627433752.db2.gz	GPFSOJHZUSFNGY-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C=Nn2c(=S)[n-]nc2C(F)(F)F)C1	ZINC000768352678	627474972	/nfs/dbraw/zinc/47/49/72/627474972.db2.gz	QIGIQVGLUMSWQE-HTQZYQBOSA-N	-1	0	292.330	3.246	20	30		CGEDRM
CC(=NNc1cccc(F)c1)c1sccc1[O-]	ZINC000769781068	627577412	/nfs/dbraw/zinc/57/74/12/627577412.db2.gz	VOJXOIRHKUSQFB-UHFFFAOYSA-N	-1	0	250.298	3.429	20	30		CGEDRM
Cn1ncc(Nc2snc(Cl)c2C#N)c1C(F)F	ZINC000771258230	627694014	/nfs/dbraw/zinc/69/40/14/627694014.db2.gz	VQBCEZAFJWDOAG-UHFFFAOYSA-N	-1	0	289.698	3.083	20	30		CGEDRM
N#CCOc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000773142558	627861853	/nfs/dbraw/zinc/86/18/53/627861853.db2.gz	BRHWNBMBJUDKQB-PLNGDYQASA-N	-1	0	285.324	3.252	20	30		CGEDRM
Cc1ccsc1CC/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000773154079	627862941	/nfs/dbraw/zinc/86/29/41/627862941.db2.gz	WWNOLKQXOCEWHX-DHDCSXOGSA-N	-1	0	290.344	3.332	20	30		CGEDRM
CCCC(CC)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000776187366	628177393	/nfs/dbraw/zinc/17/73/93/628177393.db2.gz	FBIFMVYJOJBOOE-UHFFFAOYSA-N	-1	0	264.325	3.371	20	30		CGEDRM
CCC(=NOCCC(F)(F)F)c1ccc(C(=O)[O-])cc1	ZINC000777461094	628273668	/nfs/dbraw/zinc/27/36/68/628273668.db2.gz	VAOUPLNRWMMZDN-UHFFFAOYSA-N	-1	0	289.253	3.468	20	30		CGEDRM
CC(=NOC1CCCCC1)c1ccc(C(=O)[O-])cc1	ZINC000777459829	628273800	/nfs/dbraw/zinc/27/38/00/628273800.db2.gz	RQERBSHSXCDRJC-UHFFFAOYSA-N	-1	0	261.321	3.458	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccsc2)c1	ZINC000782200816	628624143	/nfs/dbraw/zinc/62/41/43/628624143.db2.gz	OAFLCTYIEIGIOT-UPHRSURJSA-N	-1	0	264.327	3.404	20	30		CGEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccc(Cl)nc2)c1	ZINC000782208333	628625164	/nfs/dbraw/zinc/62/51/64/628625164.db2.gz	XTJSWEPDXXUIPY-IHWYPQMZSA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000782324529	628638484	/nfs/dbraw/zinc/63/84/84/628638484.db2.gz	DCZKSLHNLUYPKE-DJWKRKHSSA-N	-1	0	275.254	3.270	20	30		CGEDRM
C[C@H]1CCCC[C@H]1C=NNc1cnnc([O-])c1Cl	ZINC000783822026	628749252	/nfs/dbraw/zinc/74/92/52/628749252.db2.gz	RXEMUTXTQIFNAN-IUCAKERBSA-N	-1	0	268.748	3.060	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cnccc2C)n1	ZINC000784819006	628834135	/nfs/dbraw/zinc/83/41/35/628834135.db2.gz	GVBNXXRAUMCMCB-ITDFMYJTSA-N	-1	0	283.356	3.045	20	30		CGEDRM
Cc1ccc2nc(/C=C\C(=O)c3ccc([O-])c(F)c3)cn2c1	ZINC000789145125	629108163	/nfs/dbraw/zinc/10/81/63/629108163.db2.gz	YVDHRWIXOUPIEM-XQRVVYSFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
C[C@@]1(CN=Nc2cccc(C(=O)[O-])c2)CCCS1	ZINC000792872035	629388801	/nfs/dbraw/zinc/38/88/01/629388801.db2.gz	KLFOMOOSKOYUPN-ZDUSSCGKSA-N	-1	0	264.350	3.068	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793058371	629406543	/nfs/dbraw/zinc/40/65/43/629406543.db2.gz	TZRQEMWDCYEMLL-YPMHNXCESA-N	-1	0	294.782	3.416	20	30		CGEDRM
CC[C@H](NN=C(C)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793081979	629408422	/nfs/dbraw/zinc/40/84/22/629408422.db2.gz	QWHXVCNFHAAEHU-ZANVPECISA-N	-1	0	282.771	3.272	20	30		CGEDRM
CC[C@H](NN=C(C)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793081977	629408716	/nfs/dbraw/zinc/40/87/16/629408716.db2.gz	QWHXVCNFHAAEHU-RNCFNFMXSA-N	-1	0	282.771	3.272	20	30		CGEDRM
CC[C@H](NN=C1CCC(c2ccccc2)CC1)C(=O)[O-]	ZINC000793079399	629408885	/nfs/dbraw/zinc/40/88/85/629408885.db2.gz	SDDZJSNKBLIRJT-WUJWULDRSA-N	-1	0	274.364	3.153	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cc(F)cc(F)c1[O-]	ZINC000793146035	629416671	/nfs/dbraw/zinc/41/66/71/629416671.db2.gz	OGJMZTUHRBIIHS-QMMMGPOBSA-N	-1	0	257.280	3.457	20	30		CGEDRM
Oc1cccc(Br)c1C=NNC1CCCC1	ZINC000863089834	629469662	/nfs/dbraw/zinc/46/96/62/629469662.db2.gz	LPNMWVVTEBEPPL-UHFFFAOYSA-N	-1	0	283.169	3.021	20	30		CGEDRM
C#CCCCC(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000863118090	629478157	/nfs/dbraw/zinc/47/81/57/629478157.db2.gz	MONYFNYXUJRYOB-UHFFFAOYSA-N	-1	0	262.284	3.115	20	30		CGEDRM
C[C@H]1CSCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000794854402	629589345	/nfs/dbraw/zinc/58/93/45/629589345.db2.gz	FWILNWZYGOHERG-ZETCQYMHSA-N	-1	0	284.768	3.189	20	30		CGEDRM
C[C@H](Oc1ccc(C=NOC2CCCCC2)cc1)C(=O)[O-]	ZINC000794931440	629601665	/nfs/dbraw/zinc/60/16/65/629601665.db2.gz	VWAQPGLJMQGQME-LBPRGKRZSA-N	-1	0	291.347	3.222	20	30		CGEDRM
Cc1c(C#N)cccc1NCc1ccc(F)c(F)c1[O-]	ZINC000864038691	629734584	/nfs/dbraw/zinc/73/45/84/629734584.db2.gz	RKCKIJQTQCVVFR-UHFFFAOYSA-N	-1	0	274.270	3.463	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)/C=C/C1CCCCCC1)C(=O)[O-]	ZINC000864187310	629794604	/nfs/dbraw/zinc/79/46/04/629794604.db2.gz	IUAGSCFSXFJNHR-ATWMFIQVSA-N	-1	0	279.380	3.049	20	30		CGEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)(F)F	ZINC000864349032	629817189	/nfs/dbraw/zinc/81/71/89/629817189.db2.gz	SGEKUROCIPRTBM-FRKPEAEDSA-N	-1	0	286.278	3.401	20	30		CGEDRM
Cc1[nH]c(C=NNc2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000800808019	630300498	/nfs/dbraw/zinc/30/04/98/630300498.db2.gz	KYQLJNNHCVRJEP-UHFFFAOYSA-N	-1	0	271.320	3.084	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccc(Cl)nc2)c1	ZINC000806558576	630566832	/nfs/dbraw/zinc/56/68/32/630566832.db2.gz	GQLFGPBMDYQNFI-XQRVVYSFSA-N	-1	0	287.702	3.329	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1cccc(C(=O)[O-])c1	ZINC000806558829	630566942	/nfs/dbraw/zinc/56/69/42/630566942.db2.gz	MZNPBKZHVHFOLN-FNORWQNLSA-N	-1	0	285.274	3.123	20	30		CGEDRM
O=C([O-])[C@H]1CCC(=NOC/C=C\Cl)c2ccccc21	ZINC000811669808	631108560	/nfs/dbraw/zinc/10/85/60/631108560.db2.gz	JIPIELBSOTWAKK-WAONLVDZSA-N	-1	0	279.723	3.122	20	30		CGEDRM
Cc1cc(C)c(C(=O)/C=C/c2nc(C#N)cs2)c([O-])c1	ZINC000811691942	631110559	/nfs/dbraw/zinc/11/05/59/631110559.db2.gz	VDIXHLNEIIHYQW-ONEGZZNKSA-N	-1	0	284.340	3.233	20	30		CGEDRM
COc1ccccc1CC(C)N=Nc1ccccc1C(=O)[O-]	ZINC000812445399	631261161	/nfs/dbraw/zinc/26/11/61/631261161.db2.gz	XIHIYVCOCACZHZ-UHFFFAOYSA-N	-1	0	298.342	3.424	20	30		CGEDRM
Cc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000812442313	631261445	/nfs/dbraw/zinc/26/14/45/631261445.db2.gz	YEEHMSMLBQSWDK-UHFFFAOYSA-N	-1	0	254.289	3.139	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cccc(Cl)c1	ZINC000812442353	631261689	/nfs/dbraw/zinc/26/16/89/631261689.db2.gz	ZECVHCOKXVFYQY-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2cccs2)CCCCC1	ZINC000837047859	634847591	/nfs/dbraw/zinc/84/75/91/634847591.db2.gz	JPKDDTTXHWCPPO-UHFFFAOYSA-N	-1	0	265.378	3.184	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2C2CCC2)cc1	ZINC000814680779	631620652	/nfs/dbraw/zinc/62/06/52/631620652.db2.gz	HNHVAGHEBVKTEO-CYBMUJFWSA-N	-1	0	258.321	3.363	20	30		CGEDRM
CCSCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814690057	631624231	/nfs/dbraw/zinc/62/42/31/631624231.db2.gz	RXYQPKMDIGPNJG-UHFFFAOYSA-N	-1	0	272.757	3.189	20	30		CGEDRM
CCc1ccccc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814801973	631642840	/nfs/dbraw/zinc/64/28/40/631642840.db2.gz	QCPHHKMDGMUFJO-UHFFFAOYSA-N	-1	0	268.316	3.393	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814815349	631648163	/nfs/dbraw/zinc/64/81/63/631648163.db2.gz	UYJWDNJRWZMGHC-VHSXEESVSA-N	-1	0	264.300	3.114	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(F)c1	ZINC000814815044	631648170	/nfs/dbraw/zinc/64/81/70/631648170.db2.gz	KVZWYSFNJAVKHQ-UHFFFAOYSA-N	-1	0	264.300	3.259	20	30		CGEDRM
C[C@@H]1C(=NNCCCc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814837633	631651837	/nfs/dbraw/zinc/65/18/37/631651837.db2.gz	DWIWLEVEBSAFFR-DZGCQCFKSA-N	-1	0	288.391	3.086	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccc(Cl)cc1	ZINC000814873175	631661099	/nfs/dbraw/zinc/66/10/99/631661099.db2.gz	PXDPULUVMSWPQO-UHFFFAOYSA-N	-1	0	294.782	3.451	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NOCc1cccnc1	ZINC000814883889	631664046	/nfs/dbraw/zinc/66/40/46/631664046.db2.gz	GJBOGEYSQNJVBL-UHFFFAOYSA-N	-1	0	278.352	3.399	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@H]1C(C)C	ZINC000814887685	631665854	/nfs/dbraw/zinc/66/58/54/631665854.db2.gz	QQLGQFULRWKOFA-NSHDSACASA-N	-1	0	276.336	3.227	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cc(Cl)ccn1	ZINC000814897757	631669850	/nfs/dbraw/zinc/66/98/50/631669850.db2.gz	DGNOPWRURGAIEK-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCC(CC)CNN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814906009	631674884	/nfs/dbraw/zinc/67/48/84/631674884.db2.gz	CBSYEESZUQZSGJ-UHFFFAOYSA-N	-1	0	282.771	3.398	20	30		CGEDRM
C[C@@H]1C(=NOCCC2CC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814941608	631694643	/nfs/dbraw/zinc/69/46/43/631694643.db2.gz	NOBACPLZQAJIQD-PWSUYJOCSA-N	-1	0	267.369	3.316	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOCCC1CC1	ZINC000814941909	631694878	/nfs/dbraw/zinc/69/48/78/631694878.db2.gz	YVRILLCOKWZYCY-UHFFFAOYSA-N	-1	0	273.332	3.242	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OCCC1CC1)c1ccccc1	ZINC000817416701	632146464	/nfs/dbraw/zinc/14/64/64/632146464.db2.gz	QPLSOVWTZRKKMW-HNNXBMFYSA-N	-1	0	259.349	3.194	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000817456923	632165153	/nfs/dbraw/zinc/16/51/53/632165153.db2.gz	ILTMHUSMGDBECX-UHFFFAOYSA-N	-1	0	290.388	3.449	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1cccnc1)C1CCCCC1	ZINC000869153561	633409063	/nfs/dbraw/zinc/40/90/63/633409063.db2.gz	CYMBDERMUHWTGX-BBRMVZONSA-N	-1	0	288.391	3.368	20	30		CGEDRM
CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000826602757	633420570	/nfs/dbraw/zinc/42/05/70/633420570.db2.gz	APDCNUWGZJDQEU-NEPJUHHUSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C#CC[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000827056016	633452711	/nfs/dbraw/zinc/45/27/11/633452711.db2.gz	FUZJPONHRNROEI-VIFPVBQESA-N	-1	0	298.169	3.184	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C2[C@H]3CCCCCC[C@H]23)c1	ZINC000870691357	633628143	/nfs/dbraw/zinc/62/81/43/633628143.db2.gz	OOUNZBCQFNWKPI-GJZGRUSLSA-N	-1	0	284.359	3.185	20	30		CGEDRM
CC(C)C#CC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000831544497	633974139	/nfs/dbraw/zinc/97/41/39/633974139.db2.gz	YFSJIAODYAQSGP-UHFFFAOYSA-N	-1	0	272.131	3.297	20	30		CGEDRM
C[C@@H](NN=Cc1cc(Cl)cc(F)c1[O-])C(F)(F)F	ZINC000834998082	634305945	/nfs/dbraw/zinc/30/59/45/634305945.db2.gz	PRHHMMWRKMWNHC-RXMQYKEDSA-N	-1	0	284.640	3.059	20	30		CGEDRM
CC(=NN[C@@H](C)C(F)(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000834998427	634306630	/nfs/dbraw/zinc/30/66/30/634306630.db2.gz	HCIUHKOKLPIXIK-WPRPVWTQSA-N	-1	0	282.306	3.184	20	30		CGEDRM
CC(=NOC(C)C)c1cc(Br)cc(F)c1[O-]	ZINC000835002826	634309407	/nfs/dbraw/zinc/30/94/07/634309407.db2.gz	ONKRQTMRUGYPIN-UHFFFAOYSA-N	-1	0	290.132	3.443	20	30		CGEDRM
CC1=C[C@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835006187	634311993	/nfs/dbraw/zinc/31/19/93/634311993.db2.gz	AXKIAHWLGDXSMK-JQWIXIFHSA-N	-1	0	273.336	3.170	20	30		CGEDRM
CC(C)[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008766	634313599	/nfs/dbraw/zinc/31/35/99/634313599.db2.gz	IVTOWOWFNIUJFF-JTQLQIEISA-N	-1	0	264.300	3.358	20	30		CGEDRM
C[C@H]1CC[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009523	634314231	/nfs/dbraw/zinc/31/42/31/634314231.db2.gz	USSCCWICGZQQGE-VHSXEESVSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCOCC1	ZINC000835009945	634314265	/nfs/dbraw/zinc/31/42/65/634314265.db2.gz	IYUPDEDBBLENHD-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCCC2)cc1F	ZINC000835010164	634314423	/nfs/dbraw/zinc/31/44/23/634314423.db2.gz	RENBKLIDTFDXFS-UHFFFAOYSA-N	-1	0	250.273	3.256	20	30		CGEDRM
CC(C)(C)CCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011648	634315809	/nfs/dbraw/zinc/31/58/09/634315809.db2.gz	IDFHAZAVQJEKIQ-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C2=CC[C@@H](C)CC2)n1	ZINC000835035238	634327199	/nfs/dbraw/zinc/32/71/99/634327199.db2.gz	DXFDQSRNFLIWKY-BXKDBHETSA-N	-1	0	260.362	3.374	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccsc1C	ZINC000835057897	634340572	/nfs/dbraw/zinc/34/05/72/634340572.db2.gz	VMXGTZSDSONFAL-CYBMUJFWSA-N	-1	0	292.404	3.076	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C2CCC2)cc1	ZINC000837295858	634882245	/nfs/dbraw/zinc/88/22/45/634882245.db2.gz	KYSANJSIVXYQFD-UHFFFAOYSA-N	-1	0	288.347	3.059	20	30		CGEDRM
CC(NN=c1[n-]nc(-c2ccccn2)s1)=C1CC1(F)F	ZINC000841638072	635205533	/nfs/dbraw/zinc/20/55/33/635205533.db2.gz	MPTVRYQSEMTENS-MRVPVSSYSA-N	-1	0	295.318	3.043	20	30		CGEDRM
C=C[C@H](C)ON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000844620884	635944044	/nfs/dbraw/zinc/94/40/44/635944044.db2.gz	RFMMEAPWFHUZGN-MYHCZTBNSA-N	-1	0	293.750	3.403	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)C1(C)C	ZINC000844623040	635944765	/nfs/dbraw/zinc/94/47/65/635944765.db2.gz	HAJSHPIYAWGEDQ-AWEZNQCLSA-N	-1	0	290.363	3.296	20	30		CGEDRM
Cc1c(N=NC2CCC[C@H]3C[C@H]32)cccc1C(=O)[O-]	ZINC000844623692	635945485	/nfs/dbraw/zinc/94/54/85/635945485.db2.gz	QHJACYOFDBOFCB-CMPLNLGQSA-N	-1	0	258.321	3.281	20	30		CGEDRM
Cc1c(N=NC[C@]2(C)CCCS2)cccc1C(=O)[O-]	ZINC000844623417	635945720	/nfs/dbraw/zinc/94/57/20/635945720.db2.gz	NHJPYBQETVGZGW-AWEZNQCLSA-N	-1	0	278.377	3.377	20	30		CGEDRM
COCC(CC(C)C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624959	635946062	/nfs/dbraw/zinc/94/60/62/635946062.db2.gz	UPRHBHGJIGFXAH-UHFFFAOYSA-N	-1	0	278.352	3.154	20	30		CGEDRM
C=CCN(CC(=O)[O-])Cc1nc(C2CCCCC2)cs1	ZINC000846263825	636169154	/nfs/dbraw/zinc/16/91/54/636169154.db2.gz	XWSYKXMQQYTMBY-UHFFFAOYSA-N	-1	0	294.420	3.263	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CSc1ccc(C)cc1C	ZINC000846539625	636196119	/nfs/dbraw/zinc/19/61/19/636196119.db2.gz	BLTCDHQTYJHVOH-UHFFFAOYSA-N	-1	0	265.378	3.019	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1C	ZINC000846540909	636196129	/nfs/dbraw/zinc/19/61/29/636196129.db2.gz	BNGMDNQZMKUPRA-GHMZBOCLSA-N	-1	0	283.755	3.038	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CSCc1ccc(Cl)cc1	ZINC000846542105	636197177	/nfs/dbraw/zinc/19/71/77/636197177.db2.gz	UQKYIUBJAKANSR-JTQLQIEISA-N	-1	0	285.796	3.196	20	30		CGEDRM
C=CC[C@@H](CC)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000847104919	636338040	/nfs/dbraw/zinc/33/80/40/636338040.db2.gz	PMBWOLDEYLSXOA-SNVBAGLBSA-N	-1	0	276.361	3.201	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(F)c2)s1	ZINC000213229155	636439347	/nfs/dbraw/zinc/43/93/47/636439347.db2.gz	YAGJKOHAHCGBQQ-PLNGDYQASA-N	-1	0	276.288	3.482	20	30		CGEDRM
CCn1c(C)cc(C=NNc2ccc(CC(=O)[O-])cc2)c1C	ZINC000848415281	636571719	/nfs/dbraw/zinc/57/17/19/636571719.db2.gz	LGQLIFVFFIXSOR-UHFFFAOYSA-N	-1	0	299.374	3.198	20	30		CGEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2	ZINC000108145233	636720698	/nfs/dbraw/zinc/72/06/98/636720698.db2.gz	PEVINHAVZLUOAL-QPEQYQDCSA-N	-1	0	295.294	3.431	20	30		CGEDRM
CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086054281	636780008	/nfs/dbraw/zinc/78/00/08/636780008.db2.gz	YPXRQQIWGDFHBY-JTQLQIEISA-N	-1	0	293.454	3.137	20	30		CGEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1cccc(F)c1	ZINC000086055464	636781476	/nfs/dbraw/zinc/78/14/76/636781476.db2.gz	QZEQKBCKANKUDO-SNVBAGLBSA-N	-1	0	299.367	3.158	20	30		CGEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055398	636781604	/nfs/dbraw/zinc/78/16/04/636781604.db2.gz	BOCSFIGUBGHCCL-NSHDSACASA-N	-1	0	275.414	3.432	20	30		CGEDRM
Oc1ccc(Br)cc1/C=N/CC[C@H]1CCCO1	ZINC000887270745	637786809	/nfs/dbraw/zinc/78/68/09/637786809.db2.gz	SQDXZQVGGYLXRY-KMHUVPDISA-N	-1	0	298.180	3.143	20	30		CGEDRM
COC1(C(C)N=Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1	ZINC000853258639	637796702	/nfs/dbraw/zinc/79/67/02/637796702.db2.gz	XOTDDZVBOKDCQB-UHFFFAOYSA-N	-1	0	296.754	3.395	20	30		CGEDRM
CC(CSCCF)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000853354227	637822210	/nfs/dbraw/zinc/82/22/10/637822210.db2.gz	AHZIIVJBDDVIKV-UHFFFAOYSA-N	-1	0	288.319	3.014	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1cccc(Cl)c1[O-]	ZINC000853380294	637829938	/nfs/dbraw/zinc/82/99/38/637829938.db2.gz	SGSYMNBWBHKQPJ-JTQLQIEISA-N	-1	0	252.745	3.254	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc(Cl)c1	ZINC000853394978	637833819	/nfs/dbraw/zinc/83/38/19/637833819.db2.gz	GHPKNQCYBQEGRV-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854647930	638081286	/nfs/dbraw/zinc/08/12/86/638081286.db2.gz	XNFPWWBHSNLBSD-UHFFFAOYSA-N	-1	0	290.388	3.449	20	30		CGEDRM
C#CCO[N-]C(=O)[C@H](CC(C)C)c1ccc(Cl)cc1	ZINC000855606001	638222241	/nfs/dbraw/zinc/22/22/41/638222241.db2.gz	DZEANQVRFKQQRT-CQSZACIVSA-N	-1	0	279.767	3.151	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000042266708	639913617	/nfs/dbraw/zinc/91/36/17/639913617.db2.gz	SNFPUTGGPTYERC-UHFFFAOYSA-N	-1	0	279.770	3.013	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1)C1CC1	ZINC000048518399	640056816	/nfs/dbraw/zinc/05/68/16/640056816.db2.gz	FGAKDRKEODCBAZ-BASFJDSNSA-N	-1	0	291.372	3.300	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)s1	ZINC000048505689	640057111	/nfs/dbraw/zinc/05/71/11/640057111.db2.gz	BCNXZDXYWHEOIK-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
C=C[C@@H](CC(=O)N[C@@H](CCCC)C(=O)[O-])c1ccccc1	ZINC000191232755	640298685	/nfs/dbraw/zinc/29/86/85/640298685.db2.gz	NMZYYDALZSGQHH-ZFWWWQNUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
Cc1cc(Nc2ncc(C#N)cc2Cl)ccc1C(=O)[O-]	ZINC001211647679	814925415	/nfs/dbraw/zinc/92/54/15/814925415.db2.gz	CKTCXHJTIJVAPH-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(Cl)cccc1CO	ZINC001159248000	806065370	/nfs/dbraw/zinc/06/53/70/806065370.db2.gz	BPAXLGHJCXOKSD-UHFFFAOYSA-N	-1	0	280.736	3.215	20	30		CGEDRM
CCCCCCCCC[N-]S(=O)(=O)CC(F)(F)F	ZINC001253218089	806182899	/nfs/dbraw/zinc/18/28/99/806182899.db2.gz	MAOIAXOBFUOYPI-UHFFFAOYSA-N	-1	0	289.363	3.219	20	30		CGEDRM
CCCCCCCc1cn(C(C)(C)CC(=O)[O-])nn1	ZINC001254094152	806340910	/nfs/dbraw/zinc/34/09/10/806340910.db2.gz	OISYCNAJTJJGBP-UHFFFAOYSA-N	-1	0	267.373	3.001	20	30		CGEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1F	ZINC000176398325	799094857	/nfs/dbraw/zinc/09/48/57/799094857.db2.gz	BFHQQKQCTLCNBV-SNVBAGLBSA-N	-1	0	284.290	3.145	20	30		CGEDRM
C=CCCCCCCN=c1[n-]nc(C(F)F)s1	ZINC000379857430	799354285	/nfs/dbraw/zinc/35/42/85/799354285.db2.gz	IHURMDKHOPBKDM-UHFFFAOYSA-N	-1	0	261.341	3.446	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccco1)c1cnc2ccccc2n1	ZINC000588587464	799718398	/nfs/dbraw/zinc/71/83/98/799718398.db2.gz	QWURGQIWYBEDJK-WSROAFLRSA-N	-1	0	289.294	3.112	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000588618263	799721243	/nfs/dbraw/zinc/72/12/43/799721243.db2.gz	KBZJXUGLQPHBPA-YVMONPNESA-N	-1	0	294.266	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)cc(C#N)c1	ZINC000718567888	800216672	/nfs/dbraw/zinc/21/66/72/800216672.db2.gz	UBEHHSBWBBHALA-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1sccc1[O-]	ZINC000789073144	800390453	/nfs/dbraw/zinc/39/04/53/800390453.db2.gz	DJQRPCLLKKWOPC-UHFFFAOYSA-N	-1	0	299.355	3.131	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOC/C=C\Cl)c1[O-]	ZINC000811668834	800447493	/nfs/dbraw/zinc/44/74/93/800447493.db2.gz	KKIFQDKWMAQAQU-HSPQZSTCSA-N	-1	0	291.090	3.057	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CCCC(F)F)c1[O-]	ZINC001119554646	802678870	/nfs/dbraw/zinc/67/88/70/802678870.db2.gz	BFNWHVLZXPRISS-UUASQNMZSA-N	-1	0	292.669	3.418	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2c([O-])cccc2Cl)n1	ZINC001244030769	803151328	/nfs/dbraw/zinc/15/13/28/803151328.db2.gz	IKFKSQCPLGQPOR-UHFFFAOYSA-N	-1	0	276.723	3.376	20	30		CGEDRM
CCC(C)(C)N(CCC#N)C(=O)c1cccc(F)c1[O-]	ZINC001128197968	803180578	/nfs/dbraw/zinc/18/05/78/803180578.db2.gz	PIPHMEIVYAKPSX-UHFFFAOYSA-N	-1	0	278.327	3.076	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccccc2CC#N)c1	ZINC001244176396	803226113	/nfs/dbraw/zinc/22/61/13/803226113.db2.gz	MRNQHBHOBWXXJN-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(CCC(=O)[O-])cc3)c1-2	ZINC001244187559	803233725	/nfs/dbraw/zinc/23/37/25/803233725.db2.gz	FPJBTDPIAOOMGJ-UHFFFAOYSA-N	-1	0	291.310	3.119	20	30		CGEDRM
COc1ccnc(-c2cc(F)c([O-])c(Cl)c2)c1C#N	ZINC001244501196	803406990	/nfs/dbraw/zinc/40/69/90/803406990.db2.gz	SBDOBXCOKSAAIE-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1cc(C#N)nc(-c2cc(F)c([O-])c(Cl)c2)c1	ZINC001244501763	803407929	/nfs/dbraw/zinc/40/79/29/803407929.db2.gz	VSWRLGOWGFDYNA-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
COc1nc(-c2cc(C)c([O-])c(Cl)c2)ccc1C#N	ZINC001244532569	803423079	/nfs/dbraw/zinc/42/30/79/803423079.db2.gz	VTBLJKNEVHWIKL-UHFFFAOYSA-N	-1	0	274.707	3.296	20	30		CGEDRM
COc1ccnc(-c2c(Cl)ccc([O-])c2F)c1C#N	ZINC001244538984	803427111	/nfs/dbraw/zinc/42/71/11/803427111.db2.gz	UEWQEBKQGUISBR-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1ccc(Cl)c([O-])c1F	ZINC001244635133	803476680	/nfs/dbraw/zinc/47/66/80/803476680.db2.gz	ZGUFYIPFENYKLX-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(-c2ccc3c(C#N)c[nH]c3n2)cc(C)c1C(=O)[O-]	ZINC001244944498	803585183	/nfs/dbraw/zinc/58/51/83/803585183.db2.gz	IIMBLCXRYNWYBM-UHFFFAOYSA-N	-1	0	291.310	3.417	20	30		CGEDRM
Cc1cc(-c2cncc(F)c2C#N)cc(C)c1C(=O)[O-]	ZINC001244946203	803586467	/nfs/dbraw/zinc/58/64/67/803586467.db2.gz	DAVLNUWRDPZYRF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
Cc1cc(-c2cc3cc[nH]c3nc2C#N)cc(C)c1C(=O)[O-]	ZINC001244946594	803586608	/nfs/dbraw/zinc/58/66/08/803586608.db2.gz	KCTGCEUPCBXCPY-UHFFFAOYSA-N	-1	0	291.310	3.368	20	30		CGEDRM
C=C/C(=N\COC)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001244998426	803608819	/nfs/dbraw/zinc/60/88/19/803608819.db2.gz	AKQURSMBAQQYNY-RVDMUPIBSA-N	-1	0	288.130	3.271	20	30		CGEDRM
N#CC1(c2ccnc(-c3cc(CC(=O)[O-])ccc3F)c2)CC1	ZINC001245317746	803699019	/nfs/dbraw/zinc/69/90/19/803699019.db2.gz	TXHISKQIZKXIRG-UHFFFAOYSA-N	-1	0	296.301	3.070	20	30		CGEDRM
COc1cccc(-c2cc(CC(=O)[O-])ccc2F)c1C#N	ZINC001245318384	803699614	/nfs/dbraw/zinc/69/96/14/803699614.db2.gz	JYZBLORMPSWEOV-UHFFFAOYSA-N	-1	0	285.274	3.000	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(O)c(F)c1F	ZINC001212002871	814964460	/nfs/dbraw/zinc/96/44/60/814964460.db2.gz	IBXWGIKKFSOVQJ-UHFFFAOYSA-N	-1	0	268.244	3.053	20	30		CGEDRM
COc1nc(-c2c(F)ccc([O-])c2Cl)c(F)cc1C#N	ZINC001245830333	803984860	/nfs/dbraw/zinc/98/48/60/803984860.db2.gz	LTBLNMYSBXTFSZ-UHFFFAOYSA-N	-1	0	296.660	3.266	20	30		CGEDRM
N#Cc1cnc(-c2c(F)ccc([O-])c2Cl)c(F)c1	ZINC001245830797	803985100	/nfs/dbraw/zinc/98/51/00/803985100.db2.gz	ZLQAWXFBUOWZIB-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212514126	815044955	/nfs/dbraw/zinc/04/49/55/815044955.db2.gz	DCYJLDCPQJKZRY-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
COc1cccc(C(=O)Nc2ccc([C@@H](C)C#N)cc2)c1O	ZINC001148201686	805167430	/nfs/dbraw/zinc/16/74/30/805167430.db2.gz	CYAOPDBRCJVGHZ-NSHDSACASA-N	-1	0	296.326	3.280	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc3cc[nH]c3c2)c([O-])cc1F	ZINC001149216553	805226074	/nfs/dbraw/zinc/22/60/74/805226074.db2.gz	CIKCKTVCLRVRDJ-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1cc(Cl)c([O-])cc1F	ZINC001250027434	805378236	/nfs/dbraw/zinc/37/82/36/805378236.db2.gz	YRNSETNVKOHWJP-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
Cc1c(C)n(-c2c(F)ccc([O-])c2Cl)c(N)c1C#N	ZINC001250228886	805505221	/nfs/dbraw/zinc/50/52/21/805505221.db2.gz	PHBLVQDRHABNLG-UHFFFAOYSA-N	-1	0	279.702	3.046	20	30		CGEDRM
Cc1ccc(-c2nnc(-c3cccc(C#N)c3[O-])o2)cc1F	ZINC001258800562	807621719	/nfs/dbraw/zinc/62/17/19/807621719.db2.gz	YWODEHXPGQNYMC-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccsc2C#N)cc1C	ZINC001259162587	807675053	/nfs/dbraw/zinc/67/50/53/807675053.db2.gz	CKZZZWBYNSDLBJ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1cc(C)cc(S(=O)(=O)[N-]c2sccc2C#N)c1	ZINC001259517131	807679985	/nfs/dbraw/zinc/67/99/85/807679985.db2.gz	MPDMFZOKVDWVKF-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1ccc([N-]S(=O)(=O)CC2CCCCC2)c(C#N)c1	ZINC001259618501	807683299	/nfs/dbraw/zinc/68/32/99/807683299.db2.gz	NVNWMWOUYKFURV-UHFFFAOYSA-N	-1	0	292.404	3.189	20	30		CGEDRM
COc1cc(Nc2oc(C)c(C)c2C#N)ccc1C(=O)[O-]	ZINC001174682317	809129297	/nfs/dbraw/zinc/12/92/97/809129297.db2.gz	GCYGKCKRVDEECI-UHFFFAOYSA-N	-1	0	286.287	3.219	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174809828	809168812	/nfs/dbraw/zinc/16/88/12/809168812.db2.gz	UHOQCTXULMKNTI-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1nc(Cl)ccc1C#N	ZINC001174982318	809225889	/nfs/dbraw/zinc/22/58/89/809225889.db2.gz	YYRADEJBVCCOQZ-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(O)c(C#N)c1	ZINC001174983535	809226607	/nfs/dbraw/zinc/22/66/07/809226607.db2.gz	BURDQQYABMONRS-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2)cc1F	ZINC001175334335	809360118	/nfs/dbraw/zinc/36/01/18/809360118.db2.gz	DGFDILBKLIQQQG-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
C=CCC[C@H](C(=O)[N-]OCc1ccccn1)c1ccccc1	ZINC001299115787	809545308	/nfs/dbraw/zinc/54/53/08/809545308.db2.gz	QGAYZHRBVJMUGR-KRWDZBQOSA-N	-1	0	296.370	3.379	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213627442	815313355	/nfs/dbraw/zinc/31/33/55/815313355.db2.gz	GNWDFQQVGGLYJU-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(C(=O)[O-])cc2)cc1F	ZINC001176712333	809746808	/nfs/dbraw/zinc/74/68/08/809746808.db2.gz	QWPFVQWQVZMUHQ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1cc(Nc2ccc(Cl)cc2N)c([O-])cc1F	ZINC001213657865	815318465	/nfs/dbraw/zinc/31/84/65/815318465.db2.gz	AJBJQILAVSRKAO-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
N#C[C@H](Cc1cccs1)C(=O)Nc1ccccc1[S-]	ZINC001177913168	809830776	/nfs/dbraw/zinc/83/07/76/809830776.db2.gz	YHNRGTVWLHLVBT-JTQLQIEISA-N	-1	0	288.397	3.358	20	30		CGEDRM
N#Cc1cc(NC(=O)[C@@H]2CCc3ccccc32)c([O-])cc1F	ZINC001181761589	810071038	/nfs/dbraw/zinc/07/10/38/810071038.db2.gz	NDNYFYBUVSJCNV-CYBMUJFWSA-N	-1	0	296.301	3.071	20	30		CGEDRM
CCCCN(O)C(=O)C(C)(C)Oc1ccc(F)cc1	ZINC001184314722	810190634	/nfs/dbraw/zinc/19/06/34/810190634.db2.gz	HZGQSGXCWWAUOG-UHFFFAOYSA-N	-1	0	269.316	3.001	20	30		CGEDRM
C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1	ZINC001185384264	810259002	/nfs/dbraw/zinc/25/90/02/810259002.db2.gz	RZOPCXSYFCOQES-SNVBAGLBSA-N	-1	0	292.385	3.176	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1nc(C)cnc1C	ZINC001187992285	810439684	/nfs/dbraw/zinc/43/96/84/810439684.db2.gz	FVWHKKHGYCGOQQ-UHFFFAOYSA-N	-1	0	299.440	3.196	20	30		CGEDRM
N#Cc1ccc(C(=O)[N-]c2c(C#N)oc3ccccc32)o1	ZINC001192677701	810815495	/nfs/dbraw/zinc/81/54/95/810815495.db2.gz	SUSIRWCFDGNHJM-UHFFFAOYSA-N	-1	0	277.239	3.021	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)c1ccc([O-])c(F)c1F	ZINC001192849971	810824566	/nfs/dbraw/zinc/82/45/66/810824566.db2.gz	VWPJOSJCLVEYPL-UHFFFAOYSA-N	-1	0	281.233	3.097	20	30		CGEDRM
CCC1(NC(=O)c2cccc(C#N)c2[O-])CCCCC1	ZINC001193658225	810930536	/nfs/dbraw/zinc/93/05/36/810930536.db2.gz	ZCWNMCYPWKDARI-UHFFFAOYSA-N	-1	0	272.348	3.107	20	30		CGEDRM
N#Cc1ncccc1Nc1c(Cl)ccc([O-])c1F	ZINC001214554231	815423105	/nfs/dbraw/zinc/42/31/05/815423105.db2.gz	NBWZJCALJUEHQF-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1nc(C#N)c(Nc2c(Cl)ccc([O-])c2F)o1	ZINC001214556500	815423202	/nfs/dbraw/zinc/42/32/02/815423202.db2.gz	UUUNQMVWDMWKAA-UHFFFAOYSA-N	-1	0	267.647	3.096	20	30		CGEDRM
CCCCCCCCCOC(=O)[N-]c1ncc(C)[nH]c1=O	ZINC001194923120	811171663	/nfs/dbraw/zinc/17/16/63/811171663.db2.gz	IQEGIMGVKWSCFN-UHFFFAOYSA-N	-1	0	295.383	3.377	20	30		CGEDRM
CC(C)(C)Cc1cc(NC(=O)c2ccc(C#N)cc2[O-])on1	ZINC001195733165	811283071	/nfs/dbraw/zinc/28/30/71/811283071.db2.gz	BUWKBWXZOYJTOC-UHFFFAOYSA-N	-1	0	299.330	3.093	20	30		CGEDRM
C[C@H]1C[C@H](NC(=O)c2ccc(C#N)cc2[O-])c2ccccc21	ZINC001195764870	811289391	/nfs/dbraw/zinc/28/93/91/811289391.db2.gz	SNCDYKLSDAGTAC-ZBEGNZNMSA-N	-1	0	292.338	3.242	20	30		CGEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccsc1	ZINC001196643798	811354831	/nfs/dbraw/zinc/35/48/31/811354831.db2.gz	WLUXNJDUESTYPC-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3c(F)cc([O-])cc3F)n2)c1	ZINC001215348346	815509204	/nfs/dbraw/zinc/50/92/04/815509204.db2.gz	XCJULPKDNYZRHJ-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
CCOc1cc(C)c(Nc2scc([O-])c2C#N)cn1	ZINC001203045643	812226819	/nfs/dbraw/zinc/22/68/19/812226819.db2.gz	TYWCZQSOXVINPU-UHFFFAOYSA-N	-1	0	275.333	3.171	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203292923	812295757	/nfs/dbraw/zinc/29/57/57/812295757.db2.gz	NYIAIRHWBBOUSY-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1nsc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001203315729	812308355	/nfs/dbraw/zinc/30/83/55/812308355.db2.gz	AUCGHFMRNSNQAY-UHFFFAOYSA-N	-1	0	295.270	3.043	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215468121	815522449	/nfs/dbraw/zinc/52/24/49/815522449.db2.gz	YUNMXKPVYCWPSO-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
O=C([O-])c1cc(-c2cccc(/C=N/O)c2)cc(F)c1F	ZINC001206045101	813179401	/nfs/dbraw/zinc/17/94/01/813179401.db2.gz	FLVKLXZHZGDRQV-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1cc(F)c([O-])cc1F	ZINC001206761565	813427985	/nfs/dbraw/zinc/42/79/85/813427985.db2.gz	MTVISYDUYPOLBX-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209888441	814188607	/nfs/dbraw/zinc/18/86/07/814188607.db2.gz	DVIKOMFWTDLHMI-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC001209900709	814194006	/nfs/dbraw/zinc/19/40/06/814194006.db2.gz	NEGVFGJPKCJQHG-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(OC)c(C(=O)[O-])c2)cc1F	ZINC001209904208	814195615	/nfs/dbraw/zinc/19/56/15/814195615.db2.gz	DXSMSYMBZSSNTI-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
Cc1ccc(Nc2cccc(CC(=O)[O-])c2)c(C#N)c1	ZINC001210071918	814274178	/nfs/dbraw/zinc/27/41/78/814274178.db2.gz	ZCSCMONIFXATKS-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
N#Cc1cc(F)c(Nc2cccc(CC(=O)[O-])c2)c(F)c1	ZINC001210072458	814274586	/nfs/dbraw/zinc/27/45/86/814274586.db2.gz	ZAGYBVPDDANDJA-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1Nc1cccc([S-])c1	ZINC001210950155	814688539	/nfs/dbraw/zinc/68/85/39/814688539.db2.gz	NANNDLHLSRIZNL-UHFFFAOYSA-N	-1	0	284.340	3.377	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2ccccc2C(=O)[O-])c1	ZINC001210965219	814693060	/nfs/dbraw/zinc/69/30/60/814693060.db2.gz	IHGDSEXUZAQINJ-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1cc(C#N)c(F)cc1Nc1ccccc1C(=O)[O-]	ZINC001210969502	814696462	/nfs/dbraw/zinc/69/64/62/814696462.db2.gz	RWNBHFWSWVVSKP-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1c(Nc2ccsc2C#N)cccc1C(=O)[O-]	ZINC001211032942	814712967	/nfs/dbraw/zinc/71/29/67/814712967.db2.gz	HOPCRYSSLHNOBG-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1c(Nc2ccc(C#N)s2)cccc1C(=O)[O-]	ZINC001211033418	814713186	/nfs/dbraw/zinc/71/31/86/814713186.db2.gz	BLACVIJRXGSEPI-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2OC)c1	ZINC001211040388	814716333	/nfs/dbraw/zinc/71/63/33/814716333.db2.gz	LYFBZQVDXHELMV-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
Cc1ccc([N+](=O)[O-])cc1Nc1scc([O-])c1C#N	ZINC001211287661	814871318	/nfs/dbraw/zinc/87/13/18/814871318.db2.gz	RXPHPLJIVRZYFJ-UHFFFAOYSA-N	-1	0	275.289	3.286	20	30		CGEDRM
C#Cc1cccc(Nc2cc(C)cc(C(=O)[O-])c2)c1	ZINC001211542141	814903498	/nfs/dbraw/zinc/90/34/98/814903498.db2.gz	AIXQOGQDAAGYEV-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1cc(Nc2c(F)cccc2C#N)cc(C(=O)[O-])c1	ZINC001211542369	814904146	/nfs/dbraw/zinc/90/41/46/814904146.db2.gz	HKXIDLATNSCXJH-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)ccc1C#N	ZINC001211606770	814917251	/nfs/dbraw/zinc/91/72/51/814917251.db2.gz	ZCDUCMAGGXQSFJ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1nc(C#N)cc(-c2cc(Cl)c([O-])c(Cl)c2)n1	ZINC001242852466	823152646	/nfs/dbraw/zinc/15/26/46/823152646.db2.gz	LMIRTTOYHCWIGX-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
Cc1cc(-c2cc(Cl)c([O-])c(Cl)c2)nc(C#N)n1	ZINC001242850845	823152843	/nfs/dbraw/zinc/15/28/43/823152843.db2.gz	AYXPUMIPMJYOKV-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
C=CCOc1ccc(-c2cccc([S-])c2)nc1C#N	ZINC001242864920	823157668	/nfs/dbraw/zinc/15/76/68/823157668.db2.gz	QLASOBHVRSFELL-UHFFFAOYSA-N	-1	0	268.341	3.474	20	30		CGEDRM
Cc1cccc(Nc2cc(CC(=O)[O-])ccc2F)c1C#N	ZINC001216683582	815893939	/nfs/dbraw/zinc/89/39/39/815893939.db2.gz	RBSZMMLTIVMDOP-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#CCc1cc(-c2ccccc2C(=O)[O-])ccc1F	ZINC001242877690	823161282	/nfs/dbraw/zinc/16/12/82/823161282.db2.gz	KAAJSVLAPAFCMJ-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
Cc1ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)c(F)c1	ZINC001216978832	815904183	/nfs/dbraw/zinc/90/41/83/815904183.db2.gz	LJMOFHOXZPTYLA-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1cccc(-c2nc(-c3cccc(F)c3F)no2)c1[O-]	ZINC001216979961	815904929	/nfs/dbraw/zinc/90/49/29/815904929.db2.gz	NLJLSJJBJCIXIL-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C#N)cc2[nH]ccc21	ZINC001242923657	823173446	/nfs/dbraw/zinc/17/34/46/823173446.db2.gz	FXFYGJZFJAFALU-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
C#C[C@@H](CCCC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891272	816698711	/nfs/dbraw/zinc/69/87/11/816698711.db2.gz	GYTTVHVXNAAAGC-ICDILTBESA-N	-1	0	291.347	3.048	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCC[C@H](C)C2)c1	ZINC001223893472	816699198	/nfs/dbraw/zinc/69/91/98/816699198.db2.gz	WELBHIMKHQRERA-ZVTVFILCSA-N	-1	0	293.363	3.435	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccc(F)c([O-])c2)n1	ZINC001243054975	823229695	/nfs/dbraw/zinc/22/96/95/823229695.db2.gz	WRHUGALHHADMPP-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
C=CC[C@H](CCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224900660	816906570	/nfs/dbraw/zinc/90/65/70/816906570.db2.gz	RBSLLJQLPWARHU-CQSZACIVSA-N	-1	0	298.404	3.237	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCC[P@@](=O)([O-])O	ZINC001225019249	816934123	/nfs/dbraw/zinc/93/41/23/816934123.db2.gz	VFGVKAGHDJIYMM-RDBSUJKOSA-N	-1	0	290.340	3.342	20	30		CGEDRM
C#C[C@H](CCCCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225619496	817115345	/nfs/dbraw/zinc/11/53/45/817115345.db2.gz	BJUJRUGFOWSWNR-LLVKDONJSA-N	-1	0	263.293	3.261	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884944	817205460	/nfs/dbraw/zinc/20/54/60/817205460.db2.gz	JFZKEOYOOWJRRJ-RQJHMYQMSA-N	-1	0	274.213	3.129	20	30		CGEDRM
CC[C@H](C)CC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008169	817247023	/nfs/dbraw/zinc/24/70/23/817247023.db2.gz	FQCDCZYQQQWWFO-VHSXEESVSA-N	-1	0	266.316	3.392	20	30		CGEDRM
Cc1cccc2c1[C@H](Oc1[n-]c(=O)c(F)cc1C#N)CC2	ZINC001226012760	817249268	/nfs/dbraw/zinc/24/92/68/817249268.db2.gz	FFLUUFACFHAKES-CYBMUJFWSA-N	-1	0	284.290	3.173	20	30		CGEDRM
N#Cc1c(O[C@@H]2C=CCCC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226063147	817262453	/nfs/dbraw/zinc/26/24/53/817262453.db2.gz	CUDANMUYVOVRKV-MRVPVSSYSA-N	-1	0	284.237	3.165	20	30		CGEDRM
CC(C)[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226064630	817262512	/nfs/dbraw/zinc/26/25/12/817262512.db2.gz	NZAGSDVURYYKMX-ZETCQYMHSA-N	-1	0	274.242	3.101	20	30		CGEDRM
CC(=O)c1ccc(O)c(O[C@@H](C)c2ccccc2C#N)c1O	ZINC001226481334	817372161	/nfs/dbraw/zinc/37/21/61/817372161.db2.gz	FISKJRILYMNYIY-NSHDSACASA-N	-1	0	297.310	3.312	20	30		CGEDRM
C=CC[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C(C)C	ZINC001227605221	817680005	/nfs/dbraw/zinc/68/00/05/817680005.db2.gz	GLZJLJYRBPWCTE-SSDOTTSWSA-N	-1	0	277.151	3.469	20	30		CGEDRM
C[C@H](Oc1ccc(O)c(C#N)c1C#N)C1CCCC1	ZINC001227623162	817686336	/nfs/dbraw/zinc/68/63/36/817686336.db2.gz	PNYFMHMXENUBJC-JTQLQIEISA-N	-1	0	256.305	3.093	20	30		CGEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2sccc21)c1ccccc1	ZINC001227842152	817731557	/nfs/dbraw/zinc/73/15/57/817731557.db2.gz	BYELTYQEKJQRND-GFCCVEGCSA-N	-1	0	282.324	3.150	20	30		CGEDRM
Cc1cc(-c2ccc(/C=N/O)c(F)c2)ccc1C(=O)[O-]	ZINC001243218921	823298170	/nfs/dbraw/zinc/29/81/70/823298170.db2.gz	WPYFOZIONGBADK-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]ncc(=O)c2Cl)O1	ZINC001228388943	817895790	/nfs/dbraw/zinc/89/57/90/817895790.db2.gz	XXPIUAGMILTZGB-YGRLFVJLSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]ncc(=O)c1Cl)C(=C)C	ZINC001228391774	817896122	/nfs/dbraw/zinc/89/61/22/817896122.db2.gz	XZTJDZCCONFQIC-SNVBAGLBSA-N	-1	0	254.717	3.125	20	30		CGEDRM
N#C[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232628196	818405536	/nfs/dbraw/zinc/40/55/36/818405536.db2.gz	QQTRBOFFGMEEKJ-QMMMGPOBSA-N	-1	0	271.147	3.044	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3ccc([O-])c(F)c3F)c2c1	ZINC001243337679	823351287	/nfs/dbraw/zinc/35/12/87/823351287.db2.gz	ASZRFAFYOFNSCK-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919354	818730752	/nfs/dbraw/zinc/73/07/52/818730752.db2.gz	JEWDTHWXCLBKCG-LBPRGKRZSA-N	-1	0	260.337	3.481	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(=C)C	ZINC001234520049	818871522	/nfs/dbraw/zinc/87/15/22/818871522.db2.gz	NQPIGAHXULLZNT-OAHLLOKOSA-N	-1	0	295.342	3.497	20	30		CGEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3CCC=CCCC3)c2c1	ZINC001234530153	818875926	/nfs/dbraw/zinc/87/59/26/818875926.db2.gz	ITMUGFSFTIVRDT-CYBMUJFWSA-N	-1	0	295.342	3.475	20	30		CGEDRM
N#C[C@@H](Oc1ccccc1C=N[O-])c1ccccc1F	ZINC001234819431	818925834	/nfs/dbraw/zinc/92/58/34/818925834.db2.gz	LLPXJHNOFKVRIV-OAHLLOKOSA-N	-1	0	270.263	3.277	20	30		CGEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1ncccc1F	ZINC001234818639	818926025	/nfs/dbraw/zinc/92/60/25/818926025.db2.gz	CKBALIQDCCHQBW-SNVBAGLBSA-N	-1	0	260.268	3.169	20	30		CGEDRM
CC#CC[C@@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234820041	818927591	/nfs/dbraw/zinc/92/75/91/818927591.db2.gz	OXDVLHFJTLFOME-CYBMUJFWSA-N	-1	0	286.327	3.378	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235028668	818982390	/nfs/dbraw/zinc/98/23/90/818982390.db2.gz	NYZLKWQRDGUCML-VMPITWQZSA-N	-1	0	278.311	3.335	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(/C=C/C(=O)[O-])cc1)CCC2	ZINC001235169492	819022802	/nfs/dbraw/zinc/02/28/02/819022802.db2.gz	NHIFIZSMILNHCV-RMKNXTFCSA-N	-1	0	290.322	3.207	20	30		CGEDRM
N#Cc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001235530516	819115755	/nfs/dbraw/zinc/11/57/55/819115755.db2.gz	CLOOBHMOPGDPNA-XBXARRHUSA-N	-1	0	274.279	3.195	20	30		CGEDRM
N#Cc1nc(-c2ccc(C(=O)[O-])cc2)ccc1C(F)(F)F	ZINC001236053513	819290403	/nfs/dbraw/zinc/29/04/03/819290403.db2.gz	HYEKAQNBGJYNIW-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(C(=O)[O-])cc3)c2)CC1	ZINC001236058043	819292099	/nfs/dbraw/zinc/29/20/99/819292099.db2.gz	IKZYBVQZRRHQJL-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
Cc1cc(-c2ccc(Cl)c(C(=O)[O-])c2F)ncc1C#N	ZINC001236144510	819345484	/nfs/dbraw/zinc/34/54/84/819345484.db2.gz	ROQMVLMHWTWYMC-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2c(F)ccc(C)c2[O-])n1	ZINC001236389941	819446337	/nfs/dbraw/zinc/44/63/37/819446337.db2.gz	BTJRDIJXSPEQPG-UHFFFAOYSA-N	-1	0	274.295	3.170	20	30		CGEDRM
N#Cc1cc2nc(-c3cc(F)cc(F)c3[O-])ccc2[nH]1	ZINC001243504399	823422340	/nfs/dbraw/zinc/42/23/40/823422340.db2.gz	QPNOWUFCNHGROB-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3cc(F)cc(F)c3[O-])cc12	ZINC001243504270	823422669	/nfs/dbraw/zinc/42/26/69/823422669.db2.gz	LIVMXDGAUWZWFS-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
CCCCN(CC#N)Cc1cc(F)c([O-])c(Cl)c1	ZINC001237994168	819906314	/nfs/dbraw/zinc/90/63/14/819906314.db2.gz	CLMOLJICYQBRKB-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
CCc1nnc(-c2ccc(Cl)c([O-])c2)c(C#N)c1CC	ZINC001243579929	823453331	/nfs/dbraw/zinc/45/33/31/823453331.db2.gz	XYHXUISTGXRCRY-UHFFFAOYSA-N	-1	0	287.750	3.499	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3ccc(C(=O)[O-])cc3F)cc12	ZINC001239262483	820244898	/nfs/dbraw/zinc/24/48/98/820244898.db2.gz	UGXMORPUCUQLTM-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1nc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1CC#N	ZINC001239340080	820284290	/nfs/dbraw/zinc/28/42/90/820284290.db2.gz	VRXJPHZGGIVTQU-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)nc(C)c1C#N	ZINC001239346068	820285441	/nfs/dbraw/zinc/28/54/41/820285441.db2.gz	UGGHUCAZSLNZHE-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#CCOc1ccccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239352866	820286815	/nfs/dbraw/zinc/28/68/15/820286815.db2.gz	ITRPKXOXTYOUNZ-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
COc1cc(-c2ccccc2C=N[O-])cc(F)c1F	ZINC001240665437	821227257	/nfs/dbraw/zinc/22/72/57/821227257.db2.gz	TYZUTRLTBVMDIS-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
N#Cc1cc(-c2cc(F)ccc2[O-])ncc1C(F)(F)F	ZINC001240694210	821249145	/nfs/dbraw/zinc/24/91/45/821249145.db2.gz	QOUKGIHNFMFOHA-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cc(-c2cc(F)ccc2[O-])nc(C(F)(F)F)c1	ZINC001240693467	821250096	/nfs/dbraw/zinc/25/00/96/821250096.db2.gz	CISGVVITFGGTGF-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(C(=O)[O-])s2)cc1F	ZINC001240847773	821368449	/nfs/dbraw/zinc/36/84/49/821368449.db2.gz	JRAPAKJVJLAGDR-UHFFFAOYSA-N	-1	0	265.240	3.263	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(CC(=O)[O-])cc2)ccc1F	ZINC001240976865	821459971	/nfs/dbraw/zinc/45/99/71/821459971.db2.gz	BUZMRGPZZWICQZ-VCHYOVAHSA-N	-1	0	287.290	3.100	20	30		CGEDRM
N#Cc1c(F)ccc(-c2c(F)ccc([O-])c2F)c1F	ZINC001241294372	821712694	/nfs/dbraw/zinc/71/26/94/821712694.db2.gz	SUFIELWUMDUADW-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
N#Cc1c(F)cc(-c2cccc(C(=O)[O-])c2)cc1F	ZINC001241359029	821759777	/nfs/dbraw/zinc/75/97/77/821759777.db2.gz	GGXOLYLSXSKBNE-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
CC[C@@H](C#N)c1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241804182	822152644	/nfs/dbraw/zinc/15/26/44/822152644.db2.gz	HOCDYUFBJUPPDW-NSHDSACASA-N	-1	0	266.300	3.464	20	30		CGEDRM
N#CCc1cccc(-c2cc(F)cc(C(=O)[O-])c2)c1F	ZINC001241828428	822166480	/nfs/dbraw/zinc/16/64/80/822166480.db2.gz	ZOIXFMISRJHAQJ-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1ccc(-c2ccc(CC#N)c(OC)c2)cc1C(=O)[O-]	ZINC001241868519	822187410	/nfs/dbraw/zinc/18/74/10/822187410.db2.gz	FZLHXYHXPUEZNA-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1ccc(-c2ccc(CC#N)cc2C)cc1C(=O)[O-]	ZINC001241875129	822191436	/nfs/dbraw/zinc/19/14/36/822191436.db2.gz	UAEMUPWNHMNIOT-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(C#N)cc1C#N	ZINC001242211327	822911686	/nfs/dbraw/zinc/91/16/86/822911686.db2.gz	WWUSRXPALMTNOC-UHFFFAOYSA-N	-1	0	280.258	3.243	20	30		CGEDRM
C#Cc1ccc(-c2nc[n-]c3nc(=S)sc2-3)cc1	ZINC001242293958	822941615	/nfs/dbraw/zinc/94/16/15/822941615.db2.gz	SDYSCLWUKUBCFC-UHFFFAOYSA-N	-1	0	269.354	3.349	20	30		CGEDRM
N#Cc1ncccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001242312489	822948216	/nfs/dbraw/zinc/94/82/16/822948216.db2.gz	MASBQNVYOBCDGO-DNTJNYDQSA-N	-1	0	291.232	3.447	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cccc(C(=O)[O-])c1F	ZINC001242377960	822973631	/nfs/dbraw/zinc/97/36/31/822973631.db2.gz	KBQNVDWLLUFNJQ-UHFFFAOYSA-N	-1	0	297.289	3.122	20	30		CGEDRM
COc1cc(O)ccc1C=CC(=O)c1sccc1[O-]	ZINC001343884149	936516871	/nfs/dbraw/zinc/51/68/71/936516871.db2.gz	JNTWWOCYTWZPEP-HYXAFXHYSA-N	-1	0	276.313	3.064	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2cccc(F)n2)cc1	ZINC001344587445	936539210	/nfs/dbraw/zinc/53/92/10/936539210.db2.gz	QNMOSUSSBAOLKY-GFCCVEGCSA-N	-1	0	286.331	3.433	20	30		CGEDRM
CC(C)n1cccc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001344985490	936796221	/nfs/dbraw/zinc/79/62/21/936796221.db2.gz	XMCWVAOVZLONLA-NSHDSACASA-N	-1	0	289.285	3.232	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1ncc(F)cc1F	ZINC001345621919	936817709	/nfs/dbraw/zinc/81/77/09/936817709.db2.gz	QHRNNBXNFHAQNR-JTQLQIEISA-N	-1	0	280.249	3.334	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1onc(C)c1C	ZINC000197900167	926939511	/nfs/dbraw/zinc/93/95/11/926939511.db2.gz	RXMZBNLSHLXOPA-UHFFFAOYSA-N	-1	0	288.413	3.394	20	30		CGEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228914508	927309458	/nfs/dbraw/zinc/30/94/58/927309458.db2.gz	YQWOGIXCBUGLGB-SECBINFHSA-N	-1	0	264.712	3.332	20	30		CGEDRM
C=CC[C@H](NC(=O)c1cc(CC)c(CCC)s1)C(=O)[O-]	ZINC000150338332	937222411	/nfs/dbraw/zinc/22/24/11/937222411.db2.gz	FTPGYBXVTPCIQT-NSHDSACASA-N	-1	0	295.404	3.022	20	30		CGEDRM
C=C[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1	ZINC001447557589	937369904	/nfs/dbraw/zinc/36/99/04/937369904.db2.gz	MVSLYLIFFQSGAG-INIZCTEOSA-N	-1	0	285.318	3.343	20	30		CGEDRM
Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=O)ccc1C#N	ZINC001228898852	932048368	/nfs/dbraw/zinc/04/83/68/932048368.db2.gz	NLYWKTKJKFQSMO-CQSZACIVSA-N	-1	0	266.300	3.034	20	30		CGEDRM
Cc1cc(Cl)c(C#N)c(O[C@H](C)C2=CC=C[CH]2)n1	ZINC001230183115	932538948	/nfs/dbraw/zinc/53/89/48/932538948.db2.gz	IPRDEMSAHRBTQT-SNVBAGLBSA-N	-1	0	259.716	3.383	20	30		CGEDRM
N#C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3c4ccccc4oc32)C1	ZINC001230667131	932605218	/nfs/dbraw/zinc/60/52/18/932605218.db2.gz	SOVIFAGXXCRKOO-VHSXEESVSA-N	-1	0	295.298	3.153	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230665678	932605886	/nfs/dbraw/zinc/60/58/86/932605886.db2.gz	HESKOJXAQWFZAD-PWSUYJOCSA-N	-1	0	294.310	3.262	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)NC1=CC(=O)CCC1	ZINC001249708121	932716693	/nfs/dbraw/zinc/71/66/93/932716693.db2.gz	FJBXDPTYNXGQQE-UHFFFAOYSA-N	-1	0	292.429	3.332	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1	ZINC001327263334	935049739	/nfs/dbraw/zinc/04/97/39/935049739.db2.gz	DUCYJKLPJZGMLA-RBQYDVASSA-N	-1	0	296.273	3.153	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1C#N	ZINC001530679887	938079039	/nfs/dbraw/zinc/07/90/39/938079039.db2.gz	IBTYGVIQWABNGH-UHFFFAOYSA-N	-1	0	297.701	3.041	20	30		CGEDRM
C#CC[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccccc1	ZINC001535925386	938103169	/nfs/dbraw/zinc/10/31/69/938103169.db2.gz	GWROULFXDKSZKI-OAHLLOKOSA-N	-1	0	283.302	3.026	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2ccc(Cl)c([O-])c2)cc1	ZINC001539050004	938122496	/nfs/dbraw/zinc/12/24/96/938122496.db2.gz	OMRCTZVQAYHRRF-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
C#Cc1ccc(CNc2ccc(C(=O)[O-])c(C)c2)cc1	ZINC001602704830	971338481	/nfs/dbraw/zinc/33/84/81/971338481.db2.gz	WJVLRZUXAZCMCR-UHFFFAOYSA-N	-1	0	265.312	3.287	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000232913038	949792846	/nfs/dbraw/zinc/79/28/46/949792846.db2.gz	GLAFHWKQWBBWQK-UKRRQHHQSA-N	-1	0	283.412	3.449	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(CC)cc1C(=O)[O-])C1CC1	ZINC000385836691	972017195	/nfs/dbraw/zinc/01/71/95/972017195.db2.gz	XCGFZLKAUXIVMR-UHFFFAOYSA-N	-1	0	288.347	3.130	20	30		CGEDRM
CCCCCCCCCC(=O)NC1(C(=O)[O-])CCC1	ZINC000164844480	959263377	/nfs/dbraw/zinc/26/33/77/959263377.db2.gz	XYHNCGDKHMMRSF-UHFFFAOYSA-N	-1	0	269.385	3.251	20	30		CGEDRM
CC(C)(C#N)CCCCN1CCc2ccc(C(=O)[O-])cc21	ZINC000232530123	960281395	/nfs/dbraw/zinc/28/13/95/960281395.db2.gz	QMRVIXMJOHNXJI-UHFFFAOYSA-N	-1	0	286.375	3.467	20	30		CGEDRM
CC(C)c1nccnc1N=NC(C)CC(C)(C)CC(=O)[O-]	ZINC001592444609	960507863	/nfs/dbraw/zinc/50/78/63/960507863.db2.gz	PEERTTIUQUKJIO-UHFFFAOYSA-N	-1	0	292.383	3.279	20	30		CGEDRM
O=C([O-])c1cc(Cl)ccc1C(=O)/C=C/c1nccs1	ZINC001602265740	960549534	/nfs/dbraw/zinc/54/95/34/960549534.db2.gz	KQYKHDRQEJCYET-ONEGZZNKSA-N	-1	0	293.731	3.391	20	30		CGEDRM
Cc1cc(C)cc(CC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001567072538	961108977	/nfs/dbraw/zinc/10/89/77/961108977.db2.gz	FWXZQVPFFYPWAI-UHFFFAOYSA-N	-1	0	280.327	3.062	20	30		CGEDRM
C=CC(C)(C)CC(=O)OCc1c(F)cc(C(=O)[O-])cc1F	ZINC001573347694	962950416	/nfs/dbraw/zinc/95/04/16/962950416.db2.gz	MRUFRRBBROLFHD-UHFFFAOYSA-N	-1	0	298.285	3.309	20	30		CGEDRM
C=CCCC(=O)Nc1ccc(C(=O)[O-])c2ccccc12	ZINC001573352402	962987039	/nfs/dbraw/zinc/98/70/39/962987039.db2.gz	BGWXDOKQIIQBFY-UHFFFAOYSA-N	-1	0	269.300	3.443	20	30		CGEDRM
C=CC[C@@H]1CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC001573353222	962999316	/nfs/dbraw/zinc/99/93/16/962999316.db2.gz	SDCPJTIKIVRSKO-OLZOCXBDSA-N	-1	0	265.740	3.116	20	30		CGEDRM
C=CCCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC001573357121	963013745	/nfs/dbraw/zinc/01/37/45/963013745.db2.gz	JPIQTYJECASQHU-AWEZNQCLSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC001586067117	963064760	/nfs/dbraw/zinc/06/47/60/963064760.db2.gz	YDMYAWILHFOPFJ-CYBMUJFWSA-N	-1	0	291.391	3.375	20	30		CGEDRM
C#CCC(C)(C)C(=O)OCc1c(Cl)cccc1C(=O)[O-]	ZINC001588389854	963270001	/nfs/dbraw/zinc/27/00/01/963270001.db2.gz	CNDDLUFHZGLMCQ-UHFFFAOYSA-N	-1	0	294.734	3.131	20	30		CGEDRM
C=C(CNc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1	ZINC001588444021	963270429	/nfs/dbraw/zinc/27/04/29/963270429.db2.gz	GOHKMVUNEMUBOM-UHFFFAOYSA-N	-1	0	295.321	3.131	20	30		CGEDRM
C#C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)C(C)C	ZINC001588376374	963270621	/nfs/dbraw/zinc/27/06/21/963270621.db2.gz	DEUMSRZMJQNFHJ-CHWSQXEVSA-N	-1	0	299.292	3.079	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)O[C@H](CC(C)(C)C)C(=O)[O-]	ZINC001588536179	963277811	/nfs/dbraw/zinc/27/78/11/963277811.db2.gz	PTJGNORGFNVKGS-WDEREUQCSA-N	-1	0	256.342	3.021	20	30		CGEDRM
C=CCC1(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CCCCC1	ZINC001588457633	963278175	/nfs/dbraw/zinc/27/81/75/963278175.db2.gz	HLTSSPDXABXGGQ-UONOGXRCSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588529779	963279886	/nfs/dbraw/zinc/27/98/86/963279886.db2.gz	GACKWBZYQSNLRV-UHFFFAOYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1ncccc1C(=O)[O-])c1ccccc1	ZINC001588451414	963280361	/nfs/dbraw/zinc/28/03/61/963280361.db2.gz	VYRSDXHGKMJTPP-GFCCVEGCSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC001588558840	963283123	/nfs/dbraw/zinc/28/31/23/963283123.db2.gz	DUKIUJBZRKSGNY-UHFFFAOYSA-N	-1	0	267.712	3.333	20	30		CGEDRM
C=C(C)CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588585153	963283538	/nfs/dbraw/zinc/28/35/38/963283538.db2.gz	LEEXKMLOCVQURI-UHFFFAOYSA-N	-1	0	284.315	3.236	20	30		CGEDRM
C=C(C)Cc1cccc(C(=O)[O-])c1OCc1ncc(C)o1	ZINC001588577360	963287554	/nfs/dbraw/zinc/28/75/54/963287554.db2.gz	SMEMVERAMPAJJB-UHFFFAOYSA-N	-1	0	287.315	3.379	20	30		CGEDRM
C=C[C@@H](C(=O)[O-])N1CC2(CCCC2)c2c1cccc2F	ZINC001588663133	963296178	/nfs/dbraw/zinc/29/61/78/963296178.db2.gz	CCUFLJPODLFPSP-LBPRGKRZSA-N	-1	0	275.323	3.097	20	30		CGEDRM
C=CC(C)(C)CC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC001588673317	963297693	/nfs/dbraw/zinc/29/76/93/963297693.db2.gz	QRTQRLMSLAKTRH-UHFFFAOYSA-N	-1	0	280.295	3.340	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC001588677252	963297880	/nfs/dbraw/zinc/29/78/80/963297880.db2.gz	ZNHLQTWATSOPNQ-UHFFFAOYSA-N	-1	0	296.392	3.479	20	30		CGEDRM
C=CC[C@H](C(=O)N[C@@H](CCCC)C(=O)[O-])c1ccccc1	ZINC001588720654	963302366	/nfs/dbraw/zinc/30/23/66/963302366.db2.gz	DBNWSMCRHNNIKT-GJZGRUSLSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C[C@H](S[C@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588714300	963303744	/nfs/dbraw/zinc/30/37/44/963303744.db2.gz	FHGSXMFYUAHOGX-SKDRFNHKSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=C[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C	ZINC001588712891	963304011	/nfs/dbraw/zinc/30/40/11/963304011.db2.gz	ZXYHRMJWGBYSGX-CYBMUJFWSA-N	-1	0	276.332	3.071	20	30		CGEDRM
C=CC1(CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)CCCCC1	ZINC001588715585	963305207	/nfs/dbraw/zinc/30/52/07/963305207.db2.gz	ZVHCQDKIIBCZHG-CYBMUJFWSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C[C@@H](S[C@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC001588715579	963305798	/nfs/dbraw/zinc/30/57/98/963305798.db2.gz	ZOWYDJAARMWXMB-BXKDBHETSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)[O-]	ZINC001588714797	963306567	/nfs/dbraw/zinc/30/65/67/963306567.db2.gz	NSBFGTMGLLBHGD-LLVKDONJSA-N	-1	0	294.763	3.257	20	30		CGEDRM
C=CC[C@H](Sc1nc(-c2ccccc2)co1)C(=O)[O-]	ZINC001588759025	963311614	/nfs/dbraw/zinc/31/16/14/963311614.db2.gz	NUTRGIKTNGLKGR-LBPRGKRZSA-N	-1	0	275.329	3.463	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC001588743176	963312524	/nfs/dbraw/zinc/31/25/24/963312524.db2.gz	SJPGRJPGHKZANZ-VIFPVBQESA-N	-1	0	283.274	3.025	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588770777	963314230	/nfs/dbraw/zinc/31/42/30/963314230.db2.gz	GOXUGZHWWBPPIZ-RISCZKNCSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588785921	963315703	/nfs/dbraw/zinc/31/57/03/963315703.db2.gz	KKEANBHAMRPXNH-AVGNSLFASA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=CCC[C@@H](C(=O)OC/C=C(/C)C(=O)[O-])c1ccccc1	ZINC001588776805	963316346	/nfs/dbraw/zinc/31/63/46/963316346.db2.gz	HGBXPMIEOPBZHZ-BMOGTNHUSA-N	-1	0	288.343	3.311	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC001588789353	963317567	/nfs/dbraw/zinc/31/75/67/963317567.db2.gz	BKVLHGYUEUJKNE-MJBXVCDLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCCCCN(C)C(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001588799747	963319226	/nfs/dbraw/zinc/31/92/26/963319226.db2.gz	FNGLFBLNKQROTN-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCN(C(=O)Nc1scc(C)c1C(=O)[O-])C(C)C	ZINC001588820743	963320622	/nfs/dbraw/zinc/32/06/22/963320622.db2.gz	PYTYNJKZLOIEQY-UHFFFAOYSA-N	-1	0	282.365	3.183	20	30		CGEDRM
C[C@H](CCC#N)CN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC001589011997	963339774	/nfs/dbraw/zinc/33/97/74/963339774.db2.gz	BUTGJAXEPOYULW-OCCSQVGLSA-N	-1	0	272.348	3.005	20	30		CGEDRM
CC(=NNc1ccc(F)c(F)c1F)c1cc(C(=O)[O-])co1	ZINC001589016382	963345783	/nfs/dbraw/zinc/34/57/83/963345783.db2.gz	KAPXVKWRCHRWNU-UHFFFAOYSA-N	-1	0	298.220	3.231	20	30		CGEDRM
C#CCCCCC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1	ZINC001588440638	964042396	/nfs/dbraw/zinc/04/23/96/964042396.db2.gz	FXJNEAZUXZHTEB-UHFFFAOYSA-N	-1	0	294.376	3.097	20	30		CGEDRM
CC(C)c1ccc(C=NOCc2oncc2C(=O)[O-])cc1	ZINC001591952946	976513604	/nfs/dbraw/zinc/51/36/04/976513604.db2.gz	QFDKUWHIYVEVKI-UHFFFAOYSA-N	-1	0	288.303	3.047	20	30		CGEDRM
CC(C)c1ccc(C=NOCC2(C(=O)[O-])CC2)cc1	ZINC001591953011	976515747	/nfs/dbraw/zinc/51/57/47/976515747.db2.gz	UNPVHURDCSEZMY-UHFFFAOYSA-N	-1	0	261.321	3.025	20	30		CGEDRM
C[C@H](CC#N)N(C)Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001592222356	977407198	/nfs/dbraw/zinc/40/71/98/977407198.db2.gz	VTWZJFUJMFZYAL-GFCCVEGCSA-N	-1	0	298.342	3.379	20	30		CGEDRM
C[C@](CNc1cccc(F)c1C#N)(C(=O)[O-])c1ccccc1	ZINC001592728572	979238217	/nfs/dbraw/zinc/23/82/17/979238217.db2.gz	DHRLVQRVJLMJIU-QGZVFWFLSA-N	-1	0	298.317	3.152	20	30		CGEDRM
CC(CSCCF)N=Nc1cccc(C(=O)[O-])c1F	ZINC001592825936	979546804	/nfs/dbraw/zinc/54/68/04/979546804.db2.gz	PFCZGQOEXXDTIO-UHFFFAOYSA-N	-1	0	288.319	3.014	20	30		CGEDRM
CCCC[C@H](Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-]	ZINC001595645305	981987919	/nfs/dbraw/zinc/98/79/19/981987919.db2.gz	HNLJWRKQWFTRED-AAEUAGOBSA-N	-1	0	276.336	3.033	20	30		CGEDRM
CCCC[C@@H](Sc1c(C#N)cccc1C#N)C(=O)[O-]	ZINC001595656834	982056336	/nfs/dbraw/zinc/05/63/36/982056336.db2.gz	DJMDHZPYUUUFTE-GFCCVEGCSA-N	-1	0	274.345	3.165	20	30		CGEDRM
CCc1ccc(NN=Cc2cccn2[C@@H](C)C(=O)[O-])cc1	ZINC001597551520	988276276	/nfs/dbraw/zinc/27/62/76/988276276.db2.gz	JMPILBFEAOHZFH-LBPRGKRZSA-N	-1	0	285.347	3.142	20	30		CGEDRM
C[C@H](OC(=O)CCCCCC#N)c1cc(C(=O)[O-])co1	ZINC001593513261	995521967	/nfs/dbraw/zinc/52/19/67/995521967.db2.gz	AQTXRYJOSFAGPD-JTQLQIEISA-N	-1	0	279.292	3.056	20	30		CGEDRM
C[C@]1(CN=Nc2cccc(F)c2C(=O)[O-])CCCS1	ZINC001593995905	997298098	/nfs/dbraw/zinc/29/80/98/997298098.db2.gz	APYGBSYZFJQTTK-CYBMUJFWSA-N	-1	0	282.340	3.207	20	30		CGEDRM
N#Cc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000592421624	346985892	/nfs/dbraw/zinc/98/58/92/346985892.db2.gz	XTJGLNYMWBLGBQ-ZJUUUORDSA-N	-1	0	298.264	3.242	20	30		CGEDRM
N#Cc1ccc(N2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl	ZINC000061845379	345236013	/nfs/dbraw/zinc/23/60/13/345236013.db2.gz	VYFDIDUMNNQEEB-NSHDSACASA-N	-1	0	292.766	3.293	20	30		CGEDRM
N#Cc1cccc(CSc2n[nH]c(-c3ccccn3)n2)c1	ZINC000117115238	232183683	/nfs/dbraw/zinc/18/36/83/232183683.db2.gz	VNAKAARNPCGSIC-UHFFFAOYSA-N	-1	0	293.355	3.031	20	30		CGEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)n1	ZINC000338178102	346499994	/nfs/dbraw/zinc/49/99/94/346499994.db2.gz	DXDCHMMSZYJNTR-LLVKDONJSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#CC(=C([O-])c1conc1C1CC1)c1nc2ccccc2o1	ZINC000574947514	346669643	/nfs/dbraw/zinc/66/96/43/346669643.db2.gz	HSSQBVZRDZGIFX-JTQLQIEISA-N	-1	0	293.282	3.183	20	30		CGEDRM
N#Cc1ccc(NC[C@@H](C(=O)[O-])C2CCC2)cc1Cl	ZINC000595976940	347373529	/nfs/dbraw/zinc/37/35/29/347373529.db2.gz	DJOFFEJMSPBMDD-GFCCVEGCSA-N	-1	0	278.739	3.124	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)c(C(F)(F)F)c1	ZINC000601948854	347928751	/nfs/dbraw/zinc/92/87/51/347928751.db2.gz	MINWQFSCANUIIW-SECBINFHSA-N	-1	0	293.248	3.080	20	30		CGEDRM
Cc1sc([N-]C(=O)c2ocnc2C(F)F)c(C#N)c1C	ZINC000602226615	347941885	/nfs/dbraw/zinc/94/18/85/347941885.db2.gz	HIPQYPAQCGRWRM-UHFFFAOYSA-N	-1	0	297.286	3.415	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000630312776	350823510	/nfs/dbraw/zinc/82/35/10/350823510.db2.gz	AWGWVTDZQLBUAX-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
CSc1cc(C([O-])=C(C#N)c2nc(C)cs2)co1	ZINC000633894267	351393005	/nfs/dbraw/zinc/39/30/05/351393005.db2.gz	GWKWYBJKSLCSJV-SECBINFHSA-N	-1	0	278.358	3.257	20	30		CGEDRM
C=CC[C@H](C(=O)[N-]OC1CCCC1)c1ccccc1	ZINC000275377628	193015495	/nfs/dbraw/zinc/01/54/95/193015495.db2.gz	WTVMGCVGVKAUTR-HNNXBMFYSA-N	-1	0	259.349	3.337	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C)n1	ZINC000041520409	369189606	/nfs/dbraw/zinc/18/96/06/369189606.db2.gz	WBXGRAHUNPIUMU-VIFPVBQESA-N	-1	0	262.359	3.312	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041544031	369191073	/nfs/dbraw/zinc/19/10/73/369191073.db2.gz	DLLQVAPOTICYPM-NSHDSACASA-N	-1	0	266.256	3.219	20	30		CGEDRM
CCN(CC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000092398934	370096868	/nfs/dbraw/zinc/09/68/68/370096868.db2.gz	NTAJBGUKVCFFOS-UHFFFAOYSA-N	-1	0	259.136	3.044	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1nc(-c2ccncc2)cs1	ZINC000114621062	370505836	/nfs/dbraw/zinc/50/58/36/370505836.db2.gz	BQIKAVBUUVFZCJ-LBPRGKRZSA-N	-1	0	295.323	3.288	20	30		CGEDRM
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccco1	ZINC000443420222	373153060	/nfs/dbraw/zinc/15/30/60/373153060.db2.gz	SWSNLMJRPOHXQY-UHFFFAOYSA-N	-1	0	277.345	3.199	20	30		CGEDRM
Cc1cscc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190974167	375557223	/nfs/dbraw/zinc/55/72/23/375557223.db2.gz	GHFZJBMXUMNYNR-NSHDSACASA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1NCc1ccc(C#N)cc1	ZINC000340696296	377221784	/nfs/dbraw/zinc/22/17/84/377221784.db2.gz	IHVRTKYKBKCPIJ-UHFFFAOYSA-N	-1	0	280.327	3.485	20	30		CGEDRM
CCc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000518687135	249285411	/nfs/dbraw/zinc/28/54/11/249285411.db2.gz	OVQBSFVEBNCIIH-VURMDHGXSA-N	-1	0	284.340	3.446	20	30		CGEDRM
CC(=Cc1cc(C)cc(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000588611149	378399576	/nfs/dbraw/zinc/39/95/76/378399576.db2.gz	XGUNTQYPXBGHPX-XYOKQWHBSA-N	-1	0	279.343	3.127	20	30		CGEDRM
C#CCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000277357600	379140202	/nfs/dbraw/zinc/14/02/02/379140202.db2.gz	OKBDJUUCBKMMNB-UHFFFAOYSA-N	-1	0	272.131	3.441	20	30		CGEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)CCC(C)(C)C)[n-]1	ZINC000347602491	218288836	/nfs/dbraw/zinc/28/88/36/218288836.db2.gz	SYKXUSDOOPYVQU-LBPRGKRZSA-N	-1	0	290.411	3.158	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1cc(C(F)(F)F)ccn1	ZINC000643779363	380379122	/nfs/dbraw/zinc/37/91/22/380379122.db2.gz	AJSMAQVXZOTOKS-MRVPVSSYSA-N	-1	0	297.261	3.047	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)o1	ZINC000645953988	380785802	/nfs/dbraw/zinc/78/58/02/380785802.db2.gz	RFUOGROMLIVYJV-CYBMUJFWSA-N	-1	0	291.310	3.330	20	30		CGEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN=c1nc(C2CCCC2)[n-]s1	ZINC000420621310	380856606	/nfs/dbraw/zinc/85/66/06/380856606.db2.gz	FQFXKZSWNDUCHW-OLZOCXBDSA-N	-1	0	293.436	3.011	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378299	392712752	/nfs/dbraw/zinc/71/27/52/392712752.db2.gz	MFUUOEIBRQVBOQ-NSHDSACASA-N	-1	0	283.356	3.214	20	30		CGEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000007056903	170265061	/nfs/dbraw/zinc/26/50/61/170265061.db2.gz	MQQHHKIWRJENTP-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
N#CCc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000022748071	171397330	/nfs/dbraw/zinc/39/73/30/171397330.db2.gz	XLJWGBVWHQXQLJ-UHFFFAOYSA-N	-1	0	286.718	3.364	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)sc1C	ZINC000683689697	543932028	/nfs/dbraw/zinc/93/20/28/543932028.db2.gz	IQQOSNNECQBUBG-JTQLQIEISA-N	-1	0	297.339	3.391	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1C(=O)[O-]	ZINC000659229085	418966458	/nfs/dbraw/zinc/96/64/58/418966458.db2.gz	NZAWNVUPDVAESD-GASCZTMLSA-N	-1	0	299.370	3.027	20	30		CGEDRM
C=CCCC1(CNC(=O)CC(C)(C)C(=O)[O-])CCCC1	ZINC000656487344	419176605	/nfs/dbraw/zinc/17/66/05/419176605.db2.gz	RMTUFYYQUCCEAK-UHFFFAOYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C[C@@H]1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000331221076	264166642	/nfs/dbraw/zinc/16/66/42/264166642.db2.gz	ANPMKFRYZKMIGL-ZJUUUORDSA-N	-1	0	278.308	3.041	20	30		CGEDRM
CC(C)(C)c1nc(=N[C@H]2CCCc3cc(C#N)ccc32)[n-]o1	ZINC000565588533	322083099	/nfs/dbraw/zinc/08/30/99/322083099.db2.gz	QYXKJZWCLYFGAI-AWEZNQCLSA-N	-1	0	296.374	3.150	20	30		CGEDRM
CC(C)c1nc(=N[C@@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000567249997	322156241	/nfs/dbraw/zinc/15/62/41/322156241.db2.gz	DJUOSIDRQMEGHO-CQSZACIVSA-N	-1	0	298.415	3.445	20	30		CGEDRM
CCOC1(CNC(=O)c2ccc(F)cc2[O-])CCCC1	ZINC000331236042	327387877	/nfs/dbraw/zinc/38/78/77/327387877.db2.gz	LXTJFOZIBATGPO-UHFFFAOYSA-N	-1	0	281.327	3.185	20	30		CGEDRM
C=CCC[C@@H](NC(=O)[C@@H](CCC)c1ccccc1)C(=O)[O-]	ZINC000262953582	330037632	/nfs/dbraw/zinc/03/76/32/330037632.db2.gz	QWTBRNOSPZZKMC-LSDHHAIUSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C[C@@H](CC(=O)Nc1ccncc1O)c1ccccc1	ZINC000089487277	330385543	/nfs/dbraw/zinc/38/55/43/330385543.db2.gz	AGPWJMTVYGCYRN-LBPRGKRZSA-N	-1	0	268.316	3.086	20	30		CGEDRM
C=C(CNC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1	ZINC000436738343	330683971	/nfs/dbraw/zinc/68/39/71/330683971.db2.gz	SZRAAMSHSJCKLA-UHFFFAOYSA-N	-1	0	289.281	3.114	20	30		CGEDRM
CCCc1nc(=Nc2ccc(C(C)(C)C#N)cc2)s[n-]1	ZINC000461729877	331314158	/nfs/dbraw/zinc/31/41/58/331314158.db2.gz	JJHVEXNAPKEWMV-UHFFFAOYSA-N	-1	0	286.404	3.457	20	30		CGEDRM
C=CC[C@@H](CC)N=c1[n-]nc(Cc2ccccc2)s1	ZINC000522047037	333231593	/nfs/dbraw/zinc/23/15/93/333231593.db2.gz	QSOKZYNJQFWJBV-CYBMUJFWSA-N	-1	0	273.405	3.317	20	30		CGEDRM
C=CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000238144039	333382353	/nfs/dbraw/zinc/38/23/53/333382353.db2.gz	HEIWTJFEIZURMB-UHFFFAOYSA-N	-1	0	297.310	3.202	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)nsc2C)n1	ZINC000581980105	336183255	/nfs/dbraw/zinc/18/32/55/336183255.db2.gz	JQMHZSOJNCHJDP-VIFPVBQESA-N	-1	0	277.374	3.015	20	30		CGEDRM
C[C@@H]1CCc2c(C([O-])=C(C#N)c3ccncn3)csc2C1	ZINC000354463550	534267919	/nfs/dbraw/zinc/26/79/19/534267919.db2.gz	ITKMCJTUZVGSCA-ZYHUDNBSSA-N	-1	0	297.383	3.153	20	30		CGEDRM
C=CCOc1ccccc1CN=c1[n-]nc(CCCC)o1	ZINC000347895487	526935341	/nfs/dbraw/zinc/93/53/41/526935341.db2.gz	NIUUVLXUGYCCPE-UHFFFAOYSA-N	-1	0	287.363	3.011	20	30		CGEDRM
CC(C)(C)CC[C@H](Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000416439942	527678080	/nfs/dbraw/zinc/67/80/80/527678080.db2.gz	NIEHGZVCTZJONW-NSHDSACASA-N	-1	0	295.770	3.298	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738489240	571802200	/nfs/dbraw/zinc/80/22/00/571802200.db2.gz	BHLKPNHJVYFKMU-UHFFFAOYSA-N	-1	0	293.298	3.122	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000738493833	571805087	/nfs/dbraw/zinc/80/50/87/571805087.db2.gz	SREZLDDSQCPNMW-KBPBESRZSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC000737692993	571924829	/nfs/dbraw/zinc/92/48/29/571924829.db2.gz	BYIHHWRNMOVDIR-LLVKDONJSA-N	-1	0	282.299	3.236	20	30		CGEDRM
C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-]	ZINC000737693824	571934918	/nfs/dbraw/zinc/93/49/18/571934918.db2.gz	IGSPLJSUWDBCEZ-NSHDSACASA-N	-1	0	282.299	3.236	20	30		CGEDRM
CN(Cc1ccc(NCc2ccc(C#N)cc2)cc1)C(=O)[O-]	ZINC000737486088	572347129	/nfs/dbraw/zinc/34/71/29/572347129.db2.gz	NZXLHMSDQCICQB-UHFFFAOYSA-N	-1	0	295.342	3.280	20	30		CGEDRM
COc1cccc(C=Nc2ccc(CCC(=O)[O-])cc2)c1O	ZINC000738096583	572364428	/nfs/dbraw/zinc/36/44/28/572364428.db2.gz	QGLHAMLMVXNUAS-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(O)cc2)s1	ZINC000730590470	572364929	/nfs/dbraw/zinc/36/49/29/572364929.db2.gz	NKLWCQJBGDTZPJ-UTCJRWHESA-N	-1	0	274.297	3.048	20	30		CGEDRM
N#CCc1cccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1	ZINC000738426378	572375710	/nfs/dbraw/zinc/37/57/10/572375710.db2.gz	ZJLXTBCZKKBLBF-UHFFFAOYSA-N	-1	0	296.282	3.062	20	30		CGEDRM
CCCC(CCc1ccccc1)N=Nc1nnc(C)c(=O)[n-]1	ZINC000740760834	572455726	/nfs/dbraw/zinc/45/57/26/572455726.db2.gz	BLAKSTRZHNTEKX-UHFFFAOYSA-N	-1	0	299.378	3.086	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2ccccc2C(=O)[O-])C12CCC2	ZINC000741163243	572485802	/nfs/dbraw/zinc/48/58/02/572485802.db2.gz	ITGIZFDIEUMCFP-AWEZNQCLSA-N	-1	0	288.347	3.132	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1	ZINC000733204896	572542415	/nfs/dbraw/zinc/54/24/15/572542415.db2.gz	DGBLMMGOIRIFBY-JXMROGBWSA-N	-1	0	296.322	3.355	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCc3c(O)cccc3C2=O)cc1	ZINC000742434627	572582223	/nfs/dbraw/zinc/58/22/23/572582223.db2.gz	LEHKPGAKEPHEOM-RAXLEYEMSA-N	-1	0	294.306	3.303	20	30		CGEDRM
O=C([O-])c1cccc(NN=C2CCc3cc(F)ccc32)c1	ZINC000734297004	572641911	/nfs/dbraw/zinc/64/19/11/572641911.db2.gz	XKCCTXBEQFGNHE-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000736095480	572768211	/nfs/dbraw/zinc/76/82/11/572768211.db2.gz	ZIJQTRXURSSVNC-UHFFFAOYSA-N	-1	0	277.324	3.206	20	30		CGEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000736687810	572805445	/nfs/dbraw/zinc/80/54/45/572805445.db2.gz	FAPBVPFFEGNJDP-LLVKDONJSA-N	-1	0	295.294	3.174	20	30		CGEDRM
Cc1cccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000749105982	572989269	/nfs/dbraw/zinc/98/92/69/572989269.db2.gz	ZVSHGSGSWVYCJS-GZTJUZNOSA-N	-1	0	284.315	3.270	20	30		CGEDRM
C[C@H](NN=Cc1cc(F)c([O-])c(F)c1)c1ccccc1	ZINC000749858633	573048885	/nfs/dbraw/zinc/04/88/85/573048885.db2.gz	MABOKTPWCRTJGK-JTQLQIEISA-N	-1	0	276.286	3.355	20	30		CGEDRM
O=C([O-])C1CCC(N=Nc2ccc3ccccc3n2)CC1	ZINC000814697714	598095265	/nfs/dbraw/zinc/09/52/65/598095265.db2.gz	ZJOOWKCVCHAGSW-UHFFFAOYSA-N	-1	0	283.331	3.278	20	30		CGEDRM
CCC[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736965964	600615580	/nfs/dbraw/zinc/61/55/80/600615580.db2.gz	VVPHIKRZNOCFEB-IAQYHMDHSA-N	-1	0	289.331	3.053	20	30		CGEDRM
C=CCOc1ccc(OCc2occc2C(=O)[O-])cc1	ZINC000825699318	600808273	/nfs/dbraw/zinc/80/82/73/600808273.db2.gz	XDBCTCAXMROJFF-UHFFFAOYSA-N	-1	0	274.272	3.122	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Oc3ccccc3C2=O)cc1	ZINC000033957121	600829327	/nfs/dbraw/zinc/82/93/27/600829327.db2.gz	XNNJPMYNORHKRV-NTEUORMPSA-N	-1	0	266.252	3.001	20	30		CGEDRM
C=CCCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC000825671227	601206538	/nfs/dbraw/zinc/20/65/38/601206538.db2.gz	HQIANQZLIIYWNT-UHFFFAOYSA-N	-1	0	268.696	3.300	20	30		CGEDRM
C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccs1	ZINC000827717858	601297217	/nfs/dbraw/zinc/29/72/17/601297217.db2.gz	LUHJEGYGCDHRSW-YGRLFVJLSA-N	-1	0	286.356	3.096	20	30		CGEDRM
CCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000829527618	601330409	/nfs/dbraw/zinc/33/04/09/601330409.db2.gz	IDNGBQMLAZBNKP-UXBLZVDNSA-N	-1	0	299.326	3.398	20	30		CGEDRM
CC1(C)c2ccccc2C(=O)/C1=C\c1ccc(C(=O)[O-])[nH]1	ZINC000828042024	601331231	/nfs/dbraw/zinc/33/12/31/601331231.db2.gz	LOYNKTJCEYFWPV-UKTHLTGXSA-N	-1	0	281.311	3.270	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc3c2CCCC3)[nH]1	ZINC000833312026	601337218	/nfs/dbraw/zinc/33/72/18/601337218.db2.gz	HZIHDBYQJBDHSB-UHFFFAOYSA-N	-1	0	283.331	3.038	20	30		CGEDRM
O=C([O-])C1(CN=Cc2cc3ccccc3[nH]c2=O)CCCC1	ZINC000833174620	601366210	/nfs/dbraw/zinc/36/62/10/601366210.db2.gz	SXEBAQSDTFFTOK-VCHYOVAHSA-N	-1	0	298.342	3.004	20	30		CGEDRM
CCCCC[C@H](Nc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000829349532	601383429	/nfs/dbraw/zinc/38/34/29/601383429.db2.gz	YKOAFAUDYGNBLF-JTQLQIEISA-N	-1	0	281.743	3.052	20	30		CGEDRM
C[C@H](CSCC#Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000827574831	601576931	/nfs/dbraw/zinc/57/69/31/601576931.db2.gz	HIRJQSBYMIKHKM-SNVBAGLBSA-N	-1	0	268.765	3.145	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)c[nH]1	ZINC000833297445	601794313	/nfs/dbraw/zinc/79/43/13/601794313.db2.gz	GESVCMKXHYOVRE-XCVCLJGOSA-N	-1	0	287.702	3.189	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(Cl)cc2C)c1=O	ZINC000899348323	620651873	/nfs/dbraw/zinc/65/18/73/620651873.db2.gz	UYOXIDCHNUQHSG-LBPRGKRZSA-N	-1	0	260.724	3.010	20	30		CGEDRM
N#CCCCCSCc1ccc(C(=O)[O-])s1	ZINC000833065951	602179561	/nfs/dbraw/zinc/17/95/61/602179561.db2.gz	PWJCWIMWIIGMKH-UHFFFAOYSA-N	-1	0	255.364	3.373	20	30		CGEDRM
N#Cc1ccc(NC[C@H](NC(=O)[O-])c2ccccc2)c(F)c1	ZINC000831137163	603203843	/nfs/dbraw/zinc/20/38/43/603203843.db2.gz	ROFVOZNMRKVPQP-HNNXBMFYSA-N	-1	0	299.305	3.118	20	30		CGEDRM
C=CCCCC(=O)Nc1ccccc1CN(CC)C(=O)[O-]	ZINC000823497115	603978570	/nfs/dbraw/zinc/97/85/70/603978570.db2.gz	VWVMNQCFCCAYRN-UHFFFAOYSA-N	-1	0	290.363	3.481	20	30		CGEDRM
Cc1sc(NC(=O)C#Cc2ccccc2)c(C(=O)[O-])c1C	ZINC000833033699	604534649	/nfs/dbraw/zinc/53/46/49/604534649.db2.gz	KEXZREANKDAXLA-UHFFFAOYSA-N	-1	0	299.351	3.053	20	30		CGEDRM
CC(N=Nc1ccc(F)cn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814842439	604640820	/nfs/dbraw/zinc/64/08/20/604640820.db2.gz	HZFKUWIJMIHSMI-SNVBAGLBSA-N	-1	0	281.331	3.290	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2ccc(C(=O)[O-])cc2F)c1	ZINC000833368078	604753213	/nfs/dbraw/zinc/75/32/13/604753213.db2.gz	FOYUAMCOTLHSIE-UHFFFAOYSA-N	-1	0	283.302	3.142	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C1CC1	ZINC000833375420	604916091	/nfs/dbraw/zinc/91/60/91/604916091.db2.gz	WLIHBLOWBVCURF-UHFFFAOYSA-N	-1	0	293.298	3.098	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000236451831	605008777	/nfs/dbraw/zinc/00/87/77/605008777.db2.gz	VHPDPQOUAFDTAG-UHFFFAOYSA-N	-1	0	279.723	3.170	20	30		CGEDRM
C=CCC[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CC1	ZINC000833373134	605117938	/nfs/dbraw/zinc/11/79/38/605117938.db2.gz	GYWZACLOKXWQCX-IHRRRGAJSA-N	-1	0	280.364	3.165	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833373662	605303543	/nfs/dbraw/zinc/30/35/43/605303543.db2.gz	WTNNJKRVSSGREY-UHFFFAOYSA-N	-1	0	266.272	3.210	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2c([O-])cccc2F)c(C2CC2)n1	ZINC000899390224	620685597	/nfs/dbraw/zinc/68/55/97/620685597.db2.gz	VPDSDABZGGQBRZ-BQYQJAHWSA-N	-1	0	286.306	3.038	20	30		CGEDRM
C#CCCCCCc1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000833361608	605577096	/nfs/dbraw/zinc/57/70/96/605577096.db2.gz	DAWYGOCRHZPFJG-UHFFFAOYSA-N	-1	0	284.315	3.171	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1	ZINC000823475525	605587595	/nfs/dbraw/zinc/58/75/95/605587595.db2.gz	YTEOHRQUSPIVEX-UHFFFAOYSA-N	-1	0	294.310	3.319	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)oc1C	ZINC000833387119	605594914	/nfs/dbraw/zinc/59/49/14/605594914.db2.gz	OMKYYPULJYSKRQ-UHFFFAOYSA-N	-1	0	272.304	3.431	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C	ZINC000826820350	605739912	/nfs/dbraw/zinc/73/99/12/605739912.db2.gz	LULQCKUCRBMYFS-KBPBESRZSA-N	-1	0	298.427	3.384	20	30		CGEDRM
CC(C)c1ccc(CCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417708	617607504	/nfs/dbraw/zinc/60/75/04/617607504.db2.gz	LRUGQJJVKIGVKR-UHFFFAOYSA-N	-1	0	297.420	3.437	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501595	617611474	/nfs/dbraw/zinc/61/14/74/617611474.db2.gz	NXBCBZYNBNIJID-NSHDSACASA-N	-1	0	293.388	3.306	20	30		CGEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)C1CC1	ZINC000049514033	617613523	/nfs/dbraw/zinc/61/35/23/617613523.db2.gz	OXDIFCYKWKUMSJ-JTQLQIEISA-N	-1	0	273.398	3.042	20	30		CGEDRM
[O-]c1c(Br)cccc1C=NOC/C=C\Cl	ZINC000811670451	617711052	/nfs/dbraw/zinc/71/10/52/617711052.db2.gz	SKZQSOJGTVGBCT-ZCNAHOTGSA-N	-1	0	290.544	3.258	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000255205146	618075702	/nfs/dbraw/zinc/07/57/02/618075702.db2.gz	REDIWJTXKNQSFJ-XQRVVYSFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(F)c1	ZINC000255497864	618604186	/nfs/dbraw/zinc/60/41/86/618604186.db2.gz	JVBUFVZKSSLJFD-ALCCZGGFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)[C@@H]1C[C@H]1C	ZINC000841632417	618716146	/nfs/dbraw/zinc/71/61/46/618716146.db2.gz	NYTIMZPVKOUALA-MWLCHTKSSA-N	-1	0	276.336	3.227	20	30		CGEDRM
Cc1ncccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255884071	618845599	/nfs/dbraw/zinc/84/55/99/618845599.db2.gz	DCIYXIDDJPMHPZ-XQRVVYSFSA-N	-1	0	257.264	3.131	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccs1	ZINC000077882552	619256526	/nfs/dbraw/zinc/25/65/26/619256526.db2.gz	GJUCJHMHFWLSTH-SNVBAGLBSA-N	-1	0	295.385	3.144	20	30		CGEDRM
S=c1[n-]nc(-c2ccco2)n1N=Cc1cccs1	ZINC000254408390	619397027	/nfs/dbraw/zinc/39/70/27/619397027.db2.gz	ZUMZEKCPICIONL-UHFFFAOYSA-N	-1	0	276.346	3.144	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)cc1	ZINC000048505837	619501606	/nfs/dbraw/zinc/50/16/06/619501606.db2.gz	UNZQEYZLFBJEAH-UHFFFAOYSA-N	-1	0	297.420	3.419	20	30		CGEDRM
O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccccc1	ZINC000048619084	619513189	/nfs/dbraw/zinc/51/31/89/619513189.db2.gz	KJMIRLAUSSWNCU-UHFFFAOYSA-N	-1	0	291.372	3.078	20	30		CGEDRM
COc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000006407197	619728591	/nfs/dbraw/zinc/72/85/91/619728591.db2.gz	SJDQYBNZACZDGI-JXMROGBWSA-N	-1	0	282.295	3.290	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909518578	619810553	/nfs/dbraw/zinc/81/05/53/619810553.db2.gz	BMWCAMZFUKYLPS-ZDUSSCGKSA-N	-1	0	287.359	3.082	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000909626843	620214304	/nfs/dbraw/zinc/21/43/04/620214304.db2.gz	MOIHOZZQKKZLBW-INIZCTEOSA-N	-1	0	291.347	3.072	20	30		CGEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000073086697	625430101	/nfs/dbraw/zinc/43/01/01/625430101.db2.gz	ZARCGVICZSCAIF-SECBINFHSA-N	-1	0	289.784	3.277	20	30		CGEDRM
C=CCSCCNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000073118603	625446421	/nfs/dbraw/zinc/44/64/21/625446421.db2.gz	UIRZHSXBMNQFQJ-UHFFFAOYSA-N	-1	0	294.401	3.139	20	30		CGEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1c([O-])cccc1F	ZINC000901561727	620930355	/nfs/dbraw/zinc/93/03/55/620930355.db2.gz	XBNYZLKXOJDONH-VOTSOKGWSA-N	-1	0	288.322	3.280	20	30		CGEDRM
C=C(Cl)C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-]	ZINC000901940052	621071231	/nfs/dbraw/zinc/07/12/31/621071231.db2.gz	YNUTXZBPPDTKPQ-UWJYBYFXSA-N	-1	0	283.755	3.088	20	30		CGEDRM
C=CCC[C@H]([NH2+]Cc1cc(C(=O)[O-])no1)c1ccccc1	ZINC000902324644	621262526	/nfs/dbraw/zinc/26/25/26/621262526.db2.gz	FRGYEKSYPWGFTO-AWEZNQCLSA-N	-1	0	286.331	3.170	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-]	ZINC000905015056	622028243	/nfs/dbraw/zinc/02/82/43/622028243.db2.gz	BTYSPOMMSOVJES-LBPRGKRZSA-N	-1	0	296.754	3.271	20	30		CGEDRM
CCO[C@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000905484091	622077382	/nfs/dbraw/zinc/07/73/82/622077382.db2.gz	MNHGOZGBDBUKPQ-HNNXBMFYSA-N	-1	0	290.363	3.061	20	30		CGEDRM
N#Cc1ccccc1C(F)(F)C(=O)[N-]OC1CCCCC1	ZINC000907542689	622301088	/nfs/dbraw/zinc/30/10/88/622301088.db2.gz	DIFZSGPKOIFJDM-UHFFFAOYSA-N	-1	0	294.301	3.031	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000908686713	622365516	/nfs/dbraw/zinc/36/55/16/622365516.db2.gz	MLFRTRLNNWMZSX-UHFFFAOYSA-N	-1	0	279.723	3.333	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909294234	622414121	/nfs/dbraw/zinc/41/41/21/622414121.db2.gz	IJAMVPOMIXWVOO-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000909317890	622416297	/nfs/dbraw/zinc/41/62/97/622416297.db2.gz	LVQVKHSOZJQVHX-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1oc(C(=O)[O-])cc1C	ZINC000909933605	622437542	/nfs/dbraw/zinc/43/75/42/622437542.db2.gz	YVVXZHWWQZHMJJ-NWDGAFQWSA-N	-1	0	291.347	3.151	20	30		CGEDRM
CC[C@H](C)CON=C(C)c1cc(C(=O)[O-])cs1	ZINC000814939122	625574548	/nfs/dbraw/zinc/57/45/48/625574548.db2.gz	FPFAQNWUTWWRDC-QMMMGPOBSA-N	-1	0	255.339	3.233	20	30		CGEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1	ZINC000157254682	622892616	/nfs/dbraw/zinc/89/26/16/622892616.db2.gz	XDEYMNHMHZFUCD-RMKNXTFCSA-N	-1	0	275.304	3.463	20	30		CGEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C)C(F)(F)F	ZINC000834998140	623846071	/nfs/dbraw/zinc/84/60/71/623846071.db2.gz	CQPJSCZJEHGQTP-CIUDSAMLSA-N	-1	0	294.317	3.040	20	30		CGEDRM
COc1cccc(NN=C(C)c2ccc(CC(=O)[O-])cc2)c1	ZINC000915956338	624079959	/nfs/dbraw/zinc/07/99/59/624079959.db2.gz	VUALOOTYTPAAMD-UHFFFAOYSA-N	-1	0	298.342	3.158	20	30		CGEDRM
Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1C	ZINC000915935325	624080685	/nfs/dbraw/zinc/08/06/85/624080685.db2.gz	CCTKXGHTWWRWHE-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
N#CC1(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CCCCC1	ZINC000920023834	624439114	/nfs/dbraw/zinc/43/91/14/624439114.db2.gz	HADMHMFUZAFYOK-TWGQIWQCSA-N	-1	0	298.342	3.197	20	30		CGEDRM
CCn1ccc(C([O-])=C(C#N)c2nc(C)cs2)c1C	ZINC000873495425	634390148	/nfs/dbraw/zinc/39/01/48/634390148.db2.gz	NFRVXDOPLSCOSQ-GFCCVEGCSA-N	-1	0	273.361	3.071	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C	ZINC000069603959	624874422	/nfs/dbraw/zinc/87/44/22/624874422.db2.gz	XRCBLXXVVJZTDF-UHFFFAOYSA-N	-1	0	283.393	3.366	20	30		CGEDRM
N#CC1CCC(COC(=O)c2cc(F)c([O-])c(F)c2)CC1	ZINC000922503612	626010028	/nfs/dbraw/zinc/01/00/28/626010028.db2.gz	YJRQUHGZWVLXCH-UHFFFAOYSA-N	-1	0	295.285	3.157	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCC1CCCC1	ZINC000073837788	626070259	/nfs/dbraw/zinc/07/02/59/626070259.db2.gz	SSEKUHRXUZNBQP-UHFFFAOYSA-N	-1	0	275.414	3.432	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000923063318	626127700	/nfs/dbraw/zinc/12/77/00/626127700.db2.gz	QZMITHSRNJYUEG-KRWDZBQOSA-N	-1	0	298.342	3.106	20	30		CGEDRM
CCCCCCCC(=O)N(CCC(=O)[O-])C(C)C	ZINC000102981109	626189950	/nfs/dbraw/zinc/18/99/50/626189950.db2.gz	VWSZNAWACIHLDC-UHFFFAOYSA-N	-1	0	257.374	3.059	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)c2ccc(Cl)cc2[O-])c1	ZINC000103033607	626203680	/nfs/dbraw/zinc/20/36/80/626203680.db2.gz	GJXFRGWXWWXGNH-UHFFFAOYSA-N	-1	0	285.730	3.304	20	30		CGEDRM
O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(F)cc1[O-]	ZINC000121332526	626209882	/nfs/dbraw/zinc/20/98/82/626209882.db2.gz	KAJQZPUMWAAGII-ORCRQEGFSA-N	-1	0	276.238	3.272	20	30		CGEDRM
COc1ccc(NN=C(C)c2ccc(C(=O)[O-])cc2)cc1	ZINC000750923189	626368962	/nfs/dbraw/zinc/36/89/62/626368962.db2.gz	VEDQZHMDZNLLEO-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2cc(C(=O)[O-])cs2)c1	ZINC000755773625	626646014	/nfs/dbraw/zinc/64/60/14/626646014.db2.gz	YGVGTVZJXHNXJE-UHFFFAOYSA-N	-1	0	278.308	3.340	20	30		CGEDRM
C#CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000756845723	626737186	/nfs/dbraw/zinc/73/71/86/626737186.db2.gz	GKXBFJFFNFISKO-IQFISFIMSA-N	-1	0	294.310	3.484	20	30		CGEDRM
CCCCCCN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756906336	626740200	/nfs/dbraw/zinc/74/02/00/626740200.db2.gz	ZOTKWVZFGFSQEY-UHFFFAOYSA-N	-1	0	264.325	3.371	20	30		CGEDRM
N#CCOc1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1	ZINC000757467705	626780953	/nfs/dbraw/zinc/78/09/53/626780953.db2.gz	KPEUJNNHCWGTHG-XQRVVYSFSA-N	-1	0	297.285	3.330	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(N(C)C)cc2)c([O-])c1	ZINC000757471685	626781471	/nfs/dbraw/zinc/78/14/71/626781471.db2.gz	JFCDSZVRDJZDRF-WDZFZDKYSA-N	-1	0	297.354	3.363	20	30		CGEDRM
CN(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1	ZINC000757475509	626782225	/nfs/dbraw/zinc/78/22/25/626782225.db2.gz	KVUFZAMTYSVAEV-YHYXMXQVSA-N	-1	0	285.318	3.493	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cs1	ZINC000759430951	626897603	/nfs/dbraw/zinc/89/76/03/626897603.db2.gz	XDXZBJUCPSMDTF-JTQLQIEISA-N	-1	0	298.795	3.030	20	30		CGEDRM
CCCC1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000759644279	626911445	/nfs/dbraw/zinc/91/14/45/626911445.db2.gz	QUOZNHNMMJNCRW-DHDCSXOGSA-N	-1	0	262.309	3.300	20	30		CGEDRM
CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759714185	626917679	/nfs/dbraw/zinc/91/76/79/626917679.db2.gz	XDXCVRJTHBUNGY-CQSZACIVSA-N	-1	0	295.342	3.093	20	30		CGEDRM
Cc1ccccc1C(N=Nc1ccc(C(=O)[O-])cn1)C1CC1	ZINC000763367645	627153692	/nfs/dbraw/zinc/15/36/92/627153692.db2.gz	FENCKNMOGXQLIO-UHFFFAOYSA-N	-1	0	295.342	3.314	20	30		CGEDRM
CCC[C@@H](C)C(CC)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367561	627153792	/nfs/dbraw/zinc/15/37/92/627153792.db2.gz	BYQWAHBOPGIJPS-SNVBAGLBSA-N	-1	0	263.341	3.394	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCCCCC2)nc1	ZINC000763368352	627154213	/nfs/dbraw/zinc/15/42/13/627154213.db2.gz	AJKQEFLKJGLMIJ-UHFFFAOYSA-N	-1	0	261.325	3.292	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccc(F)c2)c1	ZINC000765827566	627274125	/nfs/dbraw/zinc/27/41/25/627274125.db2.gz	WHBQGHDMPIRDOL-FPLPWBNLSA-N	-1	0	270.259	3.420	20	30		CGEDRM
C[C@H]1CC(C)(C)CC1=NNc1cnnc([O-])c1Cl	ZINC000766003266	627285989	/nfs/dbraw/zinc/28/59/89/627285989.db2.gz	VSCMAVSUKBBIRQ-ZETCQYMHSA-N	-1	0	268.748	3.060	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000766771346	627359230	/nfs/dbraw/zinc/35/92/30/627359230.db2.gz	DEILXTGRXFZNHU-HWKANZROSA-N	-1	0	298.298	3.154	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCCC(F)(F)C2)c1	ZINC000767691342	627429326	/nfs/dbraw/zinc/42/93/26/627429326.db2.gz	TUPJYTXTLUIIGE-SYEOYNTFSA-N	-1	0	284.262	3.297	20	30		CGEDRM
CC(=NNC[C@H](C)C#N)c1ccc(Cl)c(Cl)c1[O-]	ZINC000771100097	627682080	/nfs/dbraw/zinc/68/20/80/627682080.db2.gz	RZILNGMCPMQOJM-SSDOTTSWSA-N	-1	0	286.162	3.172	20	30		CGEDRM
CCc1cnccc1[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000773150853	627863235	/nfs/dbraw/zinc/86/32/35/627863235.db2.gz	OFGBTQCKEQTEGU-VDCVXVNISA-N	-1	0	299.330	3.438	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(Cl)cn1	ZINC000774353703	627980692	/nfs/dbraw/zinc/98/06/92/627980692.db2.gz	YTHQQPHRTPBYEX-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
O=C([O-])c1csc(C=NOC2CCCCC2)c1	ZINC000777452689	628271977	/nfs/dbraw/zinc/27/19/77/628271977.db2.gz	GVYGZFPXLWGQEJ-UHFFFAOYSA-N	-1	0	253.323	3.130	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)ccc1O	ZINC000782200882	628624146	/nfs/dbraw/zinc/62/41/46/628624146.db2.gz	OPJJCEKVRNJWPJ-HWKANZROSA-N	-1	0	288.324	3.356	20	30		CGEDRM
Cc1ncsc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782200979	628624268	/nfs/dbraw/zinc/62/42/68/628624268.db2.gz	PACUKUCDAYGSQF-IHWYPQMZSA-N	-1	0	279.342	3.107	20	30		CGEDRM
CC[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000783689843	628740322	/nfs/dbraw/zinc/74/03/22/628740322.db2.gz	NFQXSSMGNQEQMB-AULYBMBSSA-N	-1	0	272.348	3.419	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1C=NNc1cnnc([O-])c1Cl	ZINC000783822027	628749601	/nfs/dbraw/zinc/74/96/01/628749601.db2.gz	RXEMUTXTQIFNAN-RKDXNWHRSA-N	-1	0	268.748	3.060	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cnccc2C)n1	ZINC000784819007	628833909	/nfs/dbraw/zinc/83/39/09/628833909.db2.gz	GVBNXXRAUMCMCB-OOPCZODUSA-N	-1	0	283.356	3.045	20	30		CGEDRM
N#C[C@]1(F)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000786578253	628949291	/nfs/dbraw/zinc/94/92/91/628949291.db2.gz	FOCRRNUZRNPDGP-GFCCVEGCSA-N	-1	0	289.137	3.137	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@H](CC(C)C)C1)C(=O)[O-]	ZINC000793071307	629407049	/nfs/dbraw/zinc/40/70/49/629407049.db2.gz	HRXXXIIJFJVXLF-DGCLKSJQSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@@H](NN=C1CC(c2cccc(Cl)c2)C1)C(=O)[O-]	ZINC000793080290	629408452	/nfs/dbraw/zinc/40/84/52/629408452.db2.gz	WZOLTTRNAFWIPT-JLOHTSLTSA-N	-1	0	280.755	3.026	20	30		CGEDRM
CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736422	629499007	/nfs/dbraw/zinc/49/90/07/629499007.db2.gz	WLWBIHSCCKSIQP-QWHCGFSZSA-N	-1	0	272.348	3.419	20	30		CGEDRM
CCCCCCCNC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000864159005	629787091	/nfs/dbraw/zinc/78/70/91/629787091.db2.gz	KRMOHTGOXHBSKG-UHFFFAOYSA-N	-1	0	283.412	3.354	20	30		CGEDRM
CCC(F)(F)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000864346267	629814554	/nfs/dbraw/zinc/81/45/54/629814554.db2.gz	ROAMGSYZHZHMJK-WCSRMQSCSA-N	-1	0	292.669	3.418	20	30		CGEDRM
CC(C)(C/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(C)(F)F	ZINC000864349031	629817317	/nfs/dbraw/zinc/81/73/17/629817317.db2.gz	SGEKUROCIPRTBM-APSNUPSMSA-N	-1	0	286.278	3.401	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000864580808	629871603	/nfs/dbraw/zinc/87/16/03/629871603.db2.gz	DXHKVBRTNYEDOY-LBPRGKRZSA-N	-1	0	296.754	3.021	20	30		CGEDRM
CCCCCCCS(=O)(=O)Nc1cc(CCC)n[nH]1	ZINC000799641769	630206507	/nfs/dbraw/zinc/20/65/07/630206507.db2.gz	PAKKMVLUGOKANI-UHFFFAOYSA-N	-1	0	287.429	3.074	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CCCC12CCOCC2	ZINC000799872608	630236946	/nfs/dbraw/zinc/23/69/46/630236946.db2.gz	ARCVHWWQZDHINC-UHFFFAOYSA-N	-1	0	288.347	3.133	20	30		CGEDRM
Cc1[nH]c(C=NNc2cccc(Cl)c2C)cc1C(=O)[O-]	ZINC000800810507	630300352	/nfs/dbraw/zinc/30/03/52/630300352.db2.gz	PWIYFGGXILZSKM-UHFFFAOYSA-N	-1	0	291.738	3.429	20	30		CGEDRM
N#Cc1ccc(/C=C2\Cc3c(ccc([O-])c3F)C2=O)s1	ZINC000806575100	630568707	/nfs/dbraw/zinc/56/87/07/630568707.db2.gz	PRKOCNQMDNFYJR-VMPITWQZSA-N	-1	0	285.299	3.287	20	30		CGEDRM
Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000807989275	630612135	/nfs/dbraw/zinc/61/21/35/630612135.db2.gz	FOBUGPHGKQOCHZ-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000811691383	631110517	/nfs/dbraw/zinc/11/05/17/631110517.db2.gz	LZNOUXHSOKLCOU-HJWRWDBZSA-N	-1	0	267.259	3.299	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@H](Cc3ccccc3)C2)n1	ZINC000814681240	631620393	/nfs/dbraw/zinc/62/03/93/631620393.db2.gz	DGNIOYCVYCTTJW-CQSZACIVSA-N	-1	0	296.374	3.301	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccccc1C#N	ZINC000814768799	631636003	/nfs/dbraw/zinc/63/60/03/631636003.db2.gz	MSYQHRIDQPZAEW-UHFFFAOYSA-N	-1	0	279.299	3.093	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ncccc1Cl	ZINC000814810205	631645341	/nfs/dbraw/zinc/64/53/41/631645341.db2.gz	CCMQXLIIPLEMCN-UHFFFAOYSA-N	-1	0	281.743	3.168	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H](C)c1ccccc1	ZINC000814815110	631647750	/nfs/dbraw/zinc/64/77/50/631647750.db2.gz	NLDMLONDEPQQMU-CYBMUJFWSA-N	-1	0	274.364	3.358	20	30		CGEDRM
Cc1cc(F)ccc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814884930	631664578	/nfs/dbraw/zinc/66/45/78/631664578.db2.gz	FBZBWWPTQZRVED-GHMZBOCLSA-N	-1	0	278.327	3.423	20	30		CGEDRM
CC(=NNC1CCCCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814908394	631675897	/nfs/dbraw/zinc/67/58/97/631675897.db2.gz	ALOLOPBQASJCLE-OCCSQVGLSA-N	-1	0	280.412	3.422	20	30		CGEDRM
C[C@H]1C(=NOC2CCCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814909223	631676792	/nfs/dbraw/zinc/67/67/92/631676792.db2.gz	FLHOETPMXLSROB-MNOVXSKESA-N	-1	0	253.342	3.213	20	30		CGEDRM
C[C@H]1C(=NOCCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814908897	631677251	/nfs/dbraw/zinc/67/72/51/631677251.db2.gz	BZDBOZLHYHHORF-IUCAKERBSA-N	-1	0	295.301	3.468	20	30		CGEDRM
Cc1cccnc1N=NC(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814911317	631677827	/nfs/dbraw/zinc/67/78/27/631677827.db2.gz	AZNSSIWAOZGKBA-NSHDSACASA-N	-1	0	277.368	3.459	20	30		CGEDRM
CC(C)c1nccnc1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000814916309	631680012	/nfs/dbraw/zinc/68/00/12/631680012.db2.gz	SDRNFTFUQPUASS-UHFFFAOYSA-N	-1	0	290.367	3.033	20	30		CGEDRM
CC1(C)CCCC[C@H]1NN=C1CCC(C(=O)[O-])CC1	ZINC000814918057	631681324	/nfs/dbraw/zinc/68/13/24/631681324.db2.gz	ZLHFNSWOIOPNTE-GLGOKHISSA-N	-1	0	266.385	3.176	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(F)n2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814928171	631685997	/nfs/dbraw/zinc/68/59/97/631685997.db2.gz	ZHTLJXQHXHAKAA-VHSXEESVSA-N	-1	0	293.342	3.146	20	30		CGEDRM
N#CCCC[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000817318875	632120164	/nfs/dbraw/zinc/12/01/64/632120164.db2.gz	IADOQGDHWWEEGG-LLVKDONJSA-N	-1	0	270.254	3.100	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCC1)c1nc2ccccc2[nH]1	ZINC000819938685	632540862	/nfs/dbraw/zinc/54/08/62/632540862.db2.gz	ZKUVPDYDZJRZLO-SNVBAGLBSA-N	-1	0	269.279	3.147	20	30		CGEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])C(F)=C1CCC1	ZINC000819937868	632541004	/nfs/dbraw/zinc/54/10/04/632541004.db2.gz	MRTBSKDULCZTSE-NSHDSACASA-N	-1	0	283.306	3.157	20	30		CGEDRM
O=C(/C=C/c1ccc(O)c(F)c1)c1ccc([O-])c(F)c1	ZINC000121185176	633232519	/nfs/dbraw/zinc/23/25/19/633232519.db2.gz	ZFVGELCHDTUWCR-DAFODLJHSA-N	-1	0	276.238	3.272	20	30		CGEDRM
C=CCC[C@@H](NCc1cccc(Cl)c1[O-])C(=O)OCC	ZINC000825118359	633330074	/nfs/dbraw/zinc/33/00/74/633330074.db2.gz	RWBYNPGFKRWLLV-CYBMUJFWSA-N	-1	0	297.782	3.033	20	30		CGEDRM
C[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000827829019	633522501	/nfs/dbraw/zinc/52/25/01/633522501.db2.gz	IGTSVOFPKWJLRX-BMIGLBTASA-N	-1	0	258.321	3.029	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830324497	633849262	/nfs/dbraw/zinc/84/92/62/633849262.db2.gz	SMAHGUPIMBVTSA-UHFFFAOYSA-N	-1	0	265.284	3.029	20	30		CGEDRM
CC(C)(C)OC(=O)N=c1[nH]c(C=NOC2CCC2)cs1	ZINC000872376835	634125986	/nfs/dbraw/zinc/12/59/86/634125986.db2.gz	SLHVDRNHDJDUBD-UHFFFAOYSA-N	-1	0	297.380	3.393	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CS1	ZINC000835009190	634313753	/nfs/dbraw/zinc/31/37/53/634313753.db2.gz	SOYSGQFRYUZPGE-CYBMUJFWSA-N	-1	0	296.367	3.453	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC=CCC2)cc1F	ZINC000835009776	634314147	/nfs/dbraw/zinc/31/41/47/634314147.db2.gz	CFDZCKFFUXBREU-SNVBAGLBSA-N	-1	0	262.284	3.278	20	30		CGEDRM
C=CCON=C(C)CCc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000835014209	634316662	/nfs/dbraw/zinc/31/66/62/634316662.db2.gz	CNKNLNWMPWSRLG-CYBMUJFWSA-N	-1	0	291.347	3.050	20	30		CGEDRM
C=C[C@H](C)ON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000844620660	635944185	/nfs/dbraw/zinc/94/41/85/635944185.db2.gz	NVZGFPIZQRBAPU-GARJFASQSA-N	-1	0	253.342	3.090	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1cc(C)ccc1C	ZINC000846541161	636196340	/nfs/dbraw/zinc/19/63/40/636196340.db2.gz	PQBXEGUDIZABAJ-GFCCVEGCSA-N	-1	0	265.378	3.018	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	ZINC000846539083	636196663	/nfs/dbraw/zinc/19/66/63/636196663.db2.gz	XICRQAXIQRGBOF-LLVKDONJSA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(CC)(CC)c1ccccc1	ZINC000846545841	636198198	/nfs/dbraw/zinc/19/81/98/636198198.db2.gz	IZAMAOQWOBQJCC-CYBMUJFWSA-N	-1	0	261.365	3.367	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc(Cl)cc1	ZINC000846548548	636199363	/nfs/dbraw/zinc/19/93/63/636199363.db2.gz	FPURAGHHGFPLMW-JTQLQIEISA-N	-1	0	267.756	3.240	20	30		CGEDRM
O=C1c2ccccc2C/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000129510833	636289648	/nfs/dbraw/zinc/28/96/48/636289648.db2.gz	BUWTVNGTLSLABX-KPKJPENVSA-N	-1	0	281.267	3.123	20	30		CGEDRM
C=CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])C(C)C	ZINC000847439270	636389515	/nfs/dbraw/zinc/38/95/15/636389515.db2.gz	SCHMYHWICNDMJI-UHFFFAOYSA-N	-1	0	287.281	3.448	20	30		CGEDRM
CC(C)C1CC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848413692	636570415	/nfs/dbraw/zinc/57/04/15/636570415.db2.gz	CFMYMDOVGGRHJK-UHFFFAOYSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CC(CCCCC#N)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413619	636570631	/nfs/dbraw/zinc/57/06/31/636570631.db2.gz	AJURPGPPLBCYOT-UHFFFAOYSA-N	-1	0	273.336	3.185	20	30		CGEDRM
CC(CCC(F)(F)F)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414108	636570643	/nfs/dbraw/zinc/57/06/43/636570643.db2.gz	JJFFVDKPCYZFTM-UHFFFAOYSA-N	-1	0	288.269	3.444	20	30		CGEDRM
CC(CCC1CC1)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414027	636570753	/nfs/dbraw/zinc/57/07/53/636570753.db2.gz	HSPZBIKOKFKOTO-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCC3(CC3)CC2)cc1	ZINC000848414340	636570798	/nfs/dbraw/zinc/57/07/98/636570798.db2.gz	MHCVYYWCVKXJHY-UHFFFAOYSA-N	-1	0	272.348	3.436	20	30		CGEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccsc1	ZINC000086055196	636781569	/nfs/dbraw/zinc/78/15/69/636781569.db2.gz	PDFAZFQZQOXPPB-SECBINFHSA-N	-1	0	287.406	3.081	20	30		CGEDRM
Cc1cccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])c1C#N	ZINC000849476746	636827232	/nfs/dbraw/zinc/82/72/32/636827232.db2.gz	XOMJPVGPWQFRSV-UHFFFAOYSA-N	-1	0	283.331	3.183	20	30		CGEDRM
N#C[C@H]([N-]C(=O)C(F)(F)F)c1cccc(Cl)c1Cl	ZINC000108818592	636851345	/nfs/dbraw/zinc/85/13/45/636851345.db2.gz	LIYUCYXHZJTCFN-ZETCQYMHSA-N	-1	0	297.063	3.237	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000109047573	636932569	/nfs/dbraw/zinc/93/25/69/636932569.db2.gz	BHPGCBZXHJAKLQ-OAHLLOKOSA-N	-1	0	269.385	3.060	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2F)s1	ZINC000007333322	636996958	/nfs/dbraw/zinc/99/69/58/636996958.db2.gz	XEVMRLUNFIPCSF-AATRIKPKSA-N	-1	0	276.288	3.482	20	30		CGEDRM
N#CC(C(=O)CCCF)=C([O-])c1cc2c(s1)CCCC2	ZINC000851110509	637261464	/nfs/dbraw/zinc/26/14/64/637261464.db2.gz	ZHLCBEZXPCCPCS-NSHDSACASA-N	-1	0	293.363	3.268	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000851617400	637460560	/nfs/dbraw/zinc/46/05/60/637460560.db2.gz	YHMPBZDTYGGMTO-CBCUQQMYSA-N	-1	0	295.423	3.449	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccnc(Cl)c2)CC[C@@H]1C(=O)[O-]	ZINC000853394863	637834301	/nfs/dbraw/zinc/83/43/01/637834301.db2.gz	BFXKOWWMUHTVDC-KCJUWKMLSA-N	-1	0	281.743	3.024	20	30		CGEDRM
O=C([O-])[C@@H]1CCC(=NOCC2CCC2)c2ccccc21	ZINC000853441581	637845100	/nfs/dbraw/zinc/84/51/00/637845100.db2.gz	XTLYGOQTSXITAK-CQSZACIVSA-N	-1	0	273.332	3.169	20	30		CGEDRM
CCN(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000930466371	639005280	/nfs/dbraw/zinc/00/52/80/639005280.db2.gz	WXBZUGXRYKURMM-UHFFFAOYSA-N	-1	0	287.146	3.075	20	30		CGEDRM
CC(C)(C(=O)[N-]OC1CCCCC1)c1ccc(C#N)cc1	ZINC000860992843	639482806	/nfs/dbraw/zinc/48/28/06/639482806.db2.gz	ZOBNEZZSAKYRDN-UHFFFAOYSA-N	-1	0	286.375	3.216	20	30		CGEDRM
O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1cccs1	ZINC000042244236	639914224	/nfs/dbraw/zinc/91/42/24/639914224.db2.gz	PHPKZSPBENBCJH-AATRIKPKSA-N	-1	0	299.398	3.168	20	30		CGEDRM
CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000156623058	639980714	/nfs/dbraw/zinc/98/07/14/639980714.db2.gz	FFARWRIVXBPRMO-RMKNXTFCSA-N	-1	0	284.311	3.393	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2)n1	ZINC000047358163	640012282	/nfs/dbraw/zinc/01/22/82/640012282.db2.gz	CPNQYNDHZQPVGC-SBDDDAINSA-N	-1	0	268.341	3.341	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1	ZINC000078701387	640333690	/nfs/dbraw/zinc/33/36/90/640333690.db2.gz	QTDTWAGJIRXLAP-UHFFFAOYSA-N	-1	0	281.377	3.251	20	30		CGEDRM
Cc1ccc(CCCC(=O)[N-]S(=O)(=O)C(C)C)s1	ZINC000080380692	640471986	/nfs/dbraw/zinc/47/19/86/640471986.db2.gz	WTSHGWZFINAFNE-UHFFFAOYSA-N	-1	0	289.422	3.074	20	30		CGEDRM
CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)o1	ZINC000083982185	640603405	/nfs/dbraw/zinc/60/34/05/640603405.db2.gz	NRZJVRRHPMNCFJ-QPJJXVBHSA-N	-1	0	287.271	3.352	20	30		CGEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000088799794	640623342	/nfs/dbraw/zinc/62/33/42/640623342.db2.gz	JBXRQHWQSMRUIR-UHFFFAOYSA-N	-1	0	291.781	3.157	20	30		CGEDRM
O=C(/C=C/c1ccc(Cl)nc1)c1ccccc1[O-]	ZINC000116962547	641031659	/nfs/dbraw/zinc/03/16/59/641031659.db2.gz	UXGVYBBXGPOPKT-FNORWQNLSA-N	-1	0	259.692	3.337	20	30		CGEDRM
N#Cc1ccccc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001250582682	805707392	/nfs/dbraw/zinc/70/73/92/805707392.db2.gz	PFWDSLABJJWESN-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1F	ZINC001250635749	805741098	/nfs/dbraw/zinc/74/10/98/805741098.db2.gz	FILOKFPZSOGXAB-FPYGCLRLSA-N	-1	0	267.259	3.462	20	30		CGEDRM
N#Cc1ccc(F)c(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001250635308	805741119	/nfs/dbraw/zinc/74/11/19/805741119.db2.gz	YRRAAWSYUGYXHJ-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3c(cc(F)cc3F)[nH]2)c1	ZINC001251180392	805858771	/nfs/dbraw/zinc/85/87/71/805858771.db2.gz	STYWZFIGVZFZDX-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)s1	ZINC001252968428	806142733	/nfs/dbraw/zinc/14/27/33/806142733.db2.gz	FNBJQZKPYGKUBO-CMDGGOBGSA-N	-1	0	290.369	3.032	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)s1	ZINC000176408053	799096772	/nfs/dbraw/zinc/09/67/72/799096772.db2.gz	GRAVMVLGZHNHFH-ONEGZZNKSA-N	-1	0	289.337	3.276	20	30		CGEDRM
N#Cc1ccccc1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC000312158423	799226642	/nfs/dbraw/zinc/22/66/42/799226642.db2.gz	HBYIXONMDLNWCF-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000316161748	799240718	/nfs/dbraw/zinc/24/07/18/799240718.db2.gz	VGTIVOULMIZBMI-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
O=C1C=C(Nc2ccc3oc(=S)[n-]c3c2)CCC1	ZINC001163457729	806765473	/nfs/dbraw/zinc/76/54/73/806765473.db2.gz	AJAKMOKGXAONLF-UHFFFAOYSA-N	-1	0	260.318	3.165	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1oc(C(=O)[O-])cc1C	ZINC000717244612	800197855	/nfs/dbraw/zinc/19/78/55/800197855.db2.gz	HAGSBAQSIZKFNY-UHFFFAOYSA-N	-1	0	279.336	3.008	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000809152332	800413066	/nfs/dbraw/zinc/41/30/66/800413066.db2.gz	DPSGGLXCCWHUHS-XQRVVYSFSA-N	-1	0	288.324	3.356	20	30		CGEDRM
C[C@H]1c2ccccc2C(=O)/C1=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809157036	800414745	/nfs/dbraw/zinc/41/47/45/800414745.db2.gz	PVLATQFPRZDZQS-WULZRQGASA-N	-1	0	294.306	3.474	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOC/C=C/Cl)c1[O-]	ZINC000811668836	800447717	/nfs/dbraw/zinc/44/77/17/800447717.db2.gz	KKIFQDKWMAQAQU-IRAMWHTDSA-N	-1	0	291.090	3.057	20	30		CGEDRM
CC(C)(C)ON=Cc1cccc(C(=O)[O-])c1Cl	ZINC001117703728	802479279	/nfs/dbraw/zinc/47/92/79/802479279.db2.gz	AWWQYBHPRZZMPP-UHFFFAOYSA-N	-1	0	255.701	3.187	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3c([O-])cccc3Cl)ccc12	ZINC001244030714	803151200	/nfs/dbraw/zinc/15/12/00/803151200.db2.gz	HDJRWPOXMUHLTQ-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cc(F)c([O-])c(F)c2)c1F	ZINC001244096543	803183548	/nfs/dbraw/zinc/18/35/48/803183548.db2.gz	NJMQSCXWUIOFCY-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ncc(C)cc1C#N	ZINC001244418523	803360570	/nfs/dbraw/zinc/36/05/70/803360570.db2.gz	QMHQRTGDKSXQCP-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
COc1cnc(-c2c(Cl)ccc([O-])c2F)c(C#N)c1	ZINC001244538953	803426840	/nfs/dbraw/zinc/42/68/40/803426840.db2.gz	RWTZZKZSLXLNJV-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cnc(-c2c(F)c([O-])ccc2Cl)cc1C#N	ZINC001244540383	803428550	/nfs/dbraw/zinc/42/85/50/803428550.db2.gz	NEJSJZKEYUOVKH-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
O=C([O-])c1cc(-c2ccccc2CS)cnc1F	ZINC001244754733	803520891	/nfs/dbraw/zinc/52/08/91/803520891.db2.gz	AUMMAJQQTOTCJW-UHFFFAOYSA-N	-1	0	263.293	3.016	20	30		CGEDRM
N#Cc1nccc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)n1	ZINC001244998605	803608858	/nfs/dbraw/zinc/60/88/58/803608858.db2.gz	HOKKJOHTPXOUNX-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#CCc1ccc(-c2cc(CC(=O)[O-])ccc2F)c(F)c1	ZINC001245316500	803698349	/nfs/dbraw/zinc/69/83/49/803698349.db2.gz	LOBSTUOVHDOUJN-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
Cc1nc(-c2cc(CC(=O)[O-])ccc2F)c(C#N)c(C)c1C	ZINC001245318092	803699217	/nfs/dbraw/zinc/69/92/17/803699217.db2.gz	ZRMPTVXCGGOXAL-UHFFFAOYSA-N	-1	0	298.317	3.312	20	30		CGEDRM
N#Cc1c(F)cccc1-c1cc(CC(=O)[O-])ccc1F	ZINC001245317158	803699341	/nfs/dbraw/zinc/69/93/41/803699341.db2.gz	SPBFSGLSJWCVIP-UHFFFAOYSA-N	-1	0	273.238	3.131	20	30		CGEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2Cl)c(/C=N/O)c1	ZINC001245371161	803717281	/nfs/dbraw/zinc/71/72/81/803717281.db2.gz	TWQJDFMUTRBJGF-REZTVBANSA-N	-1	0	290.706	3.217	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211960826	814961655	/nfs/dbraw/zinc/96/16/55/814961655.db2.gz	OFBCDADLYGGAIX-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(-c2cc([O-])c(F)c(F)c2F)nc(C)c1C#N	ZINC001245635604	803869180	/nfs/dbraw/zinc/86/91/80/803869180.db2.gz	MZNPSTBFKKZOHQ-UHFFFAOYSA-N	-1	0	278.233	3.360	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cc([O-])c(F)c(F)c3F)c1-2	ZINC001245635571	803870940	/nfs/dbraw/zinc/87/09/40/803870940.db2.gz	RPOAGNKUWCRFFU-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
Cc1nnc(-c2c(F)ccc([O-])c2Cl)c(C#N)c1C	ZINC001245828677	803983416	/nfs/dbraw/zinc/98/34/16/803983416.db2.gz	YJBQRCCNHPFZTM-UHFFFAOYSA-N	-1	0	277.686	3.130	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccccc3)[n-]2)cc1	ZINC001245932834	804063564	/nfs/dbraw/zinc/06/35/64/804063564.db2.gz	MIDHOGGQPRPHKT-UHFFFAOYSA-N	-1	0	261.284	3.117	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(CCC3CCCCC3)cc2=O)cn1	ZINC001245942612	804073310	/nfs/dbraw/zinc/07/33/10/804073310.db2.gz	LVOOUZLUNVEYQQ-UHFFFAOYSA-N	-1	0	296.374	3.357	20	30		CGEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140836441	804531698	/nfs/dbraw/zinc/53/16/98/804531698.db2.gz	ZYMICPIIYWDWMT-IUCAKERBSA-N	-1	0	289.137	3.135	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212515449	815045620	/nfs/dbraw/zinc/04/56/20/815045620.db2.gz	XEAMQTUQFDCIQQ-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1O	ZINC001148426329	805182380	/nfs/dbraw/zinc/18/23/80/805182380.db2.gz	DJTBPBRNPPBQCE-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
Cc1ccc(C#N)c([N-]c2nnc(C(C)(C)C)o2)c1	ZINC001249895495	805286623	/nfs/dbraw/zinc/28/66/23/805286623.db2.gz	CHLANYVYAAMTBY-UHFFFAOYSA-N	-1	0	256.309	3.291	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2ccc(CCC(=O)[O-])cc2)cc1	ZINC001250208833	805491111	/nfs/dbraw/zinc/49/11/11/805491111.db2.gz	CDVCRBWWOCAILN-UHFFFAOYSA-N	-1	0	293.322	3.001	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1c(F)ccc([O-])c1Cl	ZINC001250234756	805509503	/nfs/dbraw/zinc/50/95/03/805509503.db2.gz	WXVCRISRHDRIRR-UHFFFAOYSA-N	-1	0	281.649	3.334	20	30		CGEDRM
CCCCCCC[N-]S(=O)(=O)c1c(F)cccc1F	ZINC001259070346	807673592	/nfs/dbraw/zinc/67/35/92/807673592.db2.gz	AMSWPIVBDYPKJW-UHFFFAOYSA-N	-1	0	291.363	3.214	20	30		CGEDRM
CC[C@@H](C)S(=O)(=O)[N-]c1c(C#N)ccc2ccccc21	ZINC001260738371	807702567	/nfs/dbraw/zinc/70/25/67/807702567.db2.gz	ASAHVCPUCKVWOC-LLVKDONJSA-N	-1	0	288.372	3.252	20	30		CGEDRM
CC(C)(C)ON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC001261236745	807718092	/nfs/dbraw/zinc/71/80/92/807718092.db2.gz	UWFMTOYGERKGGL-UHFFFAOYSA-N	-1	0	261.321	3.045	20	30		CGEDRM
CCCCCCC[C@@H](CC)N[C@H]1SC(=O)[N-]C1=O	ZINC001172347040	808245740	/nfs/dbraw/zinc/24/57/40/808245740.db2.gz	PNCPCHXBHXIXLV-PWSUYJOCSA-N	-1	0	272.414	3.024	20	30		CGEDRM
COc1ccc(C)cc1Nc1scc([O-])c1C#N	ZINC001173984798	808805242	/nfs/dbraw/zinc/80/52/42/808805242.db2.gz	SQFJQCFXKCXEBN-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2c(c1)CCCO2	ZINC001174720359	809141933	/nfs/dbraw/zinc/14/19/33/809141933.db2.gz	PUDSYDUZHXSLSY-UHFFFAOYSA-N	-1	0	272.329	3.394	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])s2)ccc1C#N	ZINC001174809126	809168459	/nfs/dbraw/zinc/16/84/59/809168459.db2.gz	CBLNCVASCUXGOS-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
CC(C)(C)n1cc(C#N)cc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174950423	809212777	/nfs/dbraw/zinc/21/27/77/809212777.db2.gz	WKDYTIFIZOTIHD-UHFFFAOYSA-N	-1	0	297.358	3.485	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953777	809213079	/nfs/dbraw/zinc/21/30/79/809213079.db2.gz	NUVPQZLVLJGIHI-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(C#N)cnc1C	ZINC001174983170	809226043	/nfs/dbraw/zinc/22/60/43/809226043.db2.gz	FSFNLCJAIWMWCR-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc(C(=O)[O-])ccc1C	ZINC001174983510	809226484	/nfs/dbraw/zinc/22/64/84/809226484.db2.gz	ATCYPANDQSBLOE-UHFFFAOYSA-N	-1	0	281.315	3.350	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175221491	809312733	/nfs/dbraw/zinc/31/27/33/809312733.db2.gz	KPVKOPOSCIOMIU-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
COc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1C#N	ZINC001175223336	809314689	/nfs/dbraw/zinc/31/46/89/809314689.db2.gz	OJWNPMCGGOWXKN-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC001175223876	809314734	/nfs/dbraw/zinc/31/47/34/809314734.db2.gz	ZZQJMUQNBBVDAN-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
CC(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001175235181	809319052	/nfs/dbraw/zinc/31/90/52/809319052.db2.gz	FTSQZLLZRNILMO-UHFFFAOYSA-N	-1	0	288.253	3.488	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2cccc(C(=O)[O-])c2)cn1	ZINC001175327688	809356192	/nfs/dbraw/zinc/35/61/92/809356192.db2.gz	VAUVIHFXGXSPTR-UHFFFAOYSA-N	-1	0	281.315	3.325	20	30		CGEDRM
N#Cc1sccc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC001295829042	809494435	/nfs/dbraw/zinc/49/44/35/809494435.db2.gz	XBZTTWDCBWVDBC-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
N#Cc1cc(Cl)cc(Nc2cncc(C(=O)[O-])c2)c1	ZINC001175842659	809553966	/nfs/dbraw/zinc/55/39/66/809553966.db2.gz	DJULUIDOXUCHSG-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	ZINC001300219782	809564040	/nfs/dbraw/zinc/56/40/40/809564040.db2.gz	LMUYJTUFZUOTLK-SOUVJXGZSA-N	-1	0	283.412	3.088	20	30		CGEDRM
COc1cc(C#N)cc(Nc2csc(C(=O)[O-])c2)c1	ZINC001176440193	809698497	/nfs/dbraw/zinc/69/84/97/809698497.db2.gz	GRWJOTJUWXTOGV-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1cnc(C#N)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1	ZINC001176583997	809724029	/nfs/dbraw/zinc/72/40/29/809724029.db2.gz	BYTSUWASEFGMSC-UHFFFAOYSA-N	-1	0	293.326	3.122	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595643	809727105	/nfs/dbraw/zinc/72/71/05/809727105.db2.gz	NTOWCZJOBSIFIS-RMKNXTFCSA-N	-1	0	280.283	3.105	20	30		CGEDRM
CC(C)n1ncc(C#N)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213623560	815312465	/nfs/dbraw/zinc/31/24/65/815312465.db2.gz	SBQFRYAGWRONGK-UHFFFAOYSA-N	-1	0	298.346	3.096	20	30		CGEDRM
CC(C)(O)C#Cc1cccc(Nc2ccc(C(=O)[O-])cc2)c1	ZINC001176713972	809747667	/nfs/dbraw/zinc/74/76/67/809747667.db2.gz	ZXCCNZONQODUPG-UHFFFAOYSA-N	-1	0	295.338	3.251	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213634576	815315420	/nfs/dbraw/zinc/31/54/20/815315420.db2.gz	UEJKYSDZYWSNMH-UHFFFAOYSA-N	-1	0	295.342	3.361	20	30		CGEDRM
C#CC(C)(C)C(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC001182635588	810118464	/nfs/dbraw/zinc/11/84/64/810118464.db2.gz	GGZCGUGGVHTRPH-UHFFFAOYSA-N	-1	0	276.386	3.183	20	30		CGEDRM
C=CC[C@@H](NC(=O)CCC(=O)C1=CC=C[CH]1)c1ccccc1	ZINC001184247323	810185185	/nfs/dbraw/zinc/18/51/85/810185185.db2.gz	LMJXQFJQALMLRH-QGZVFWFLSA-N	-1	0	294.374	3.470	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)c1cccc([S-])c1	ZINC001186162534	810318203	/nfs/dbraw/zinc/31/82/03/810318203.db2.gz	BYUFDSNMYREFFW-UHFFFAOYSA-N	-1	0	261.321	3.402	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cc(CC)no1	ZINC001187994737	810440183	/nfs/dbraw/zinc/44/01/83/810440183.db2.gz	REKNCHRPSFMBOC-UHFFFAOYSA-N	-1	0	288.413	3.339	20	30		CGEDRM
CSc1ccc(C(=O)Nc2ccc(O)c(C#N)c2)s1	ZINC001192646211	810813952	/nfs/dbraw/zinc/81/39/52/810813952.db2.gz	DKKXCIFOHXPHNE-UHFFFAOYSA-N	-1	0	290.369	3.300	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)c1cc(F)c([O-])cc1F	ZINC001192887889	810826070	/nfs/dbraw/zinc/82/60/70/810826070.db2.gz	OFLMIUGOLXFYIZ-UHFFFAOYSA-N	-1	0	281.233	3.097	20	30		CGEDRM
C=CCOC(=O)Nc1cc(Br)cc(F)c1[O-]	ZINC001194323602	811051688	/nfs/dbraw/zinc/05/16/88/811051688.db2.gz	HRGPDZQMOXDXGJ-UHFFFAOYSA-N	-1	0	290.088	3.028	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(C#N)ccc1F	ZINC001214593585	815428245	/nfs/dbraw/zinc/42/82/45/815428245.db2.gz	AKWUQLKLHHWIDW-UHFFFAOYSA-N	-1	0	259.265	3.080	20	30		CGEDRM
N#Cc1ncccc1Nc1ccc(Cl)c([O-])c1F	ZINC001214793954	815453225	/nfs/dbraw/zinc/45/32/25/815453225.db2.gz	QLFPJFWUGCLTMV-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
C=CCNC(=S)Nc1ccc(Cl)c(Cl)c1[O-]	ZINC001200295355	811671812	/nfs/dbraw/zinc/67/18/12/811671812.db2.gz	NXYTUDMHILXVQK-UHFFFAOYSA-N	-1	0	277.176	3.171	20	30		CGEDRM
N#Cc1cnc(Nc2ccsc2C(=O)[O-])c(Cl)c1	ZINC001215384052	815513871	/nfs/dbraw/zinc/51/38/71/815513871.db2.gz	XSITUQFYVLKZAL-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)cn1	ZINC001215695126	815559268	/nfs/dbraw/zinc/55/92/68/815559268.db2.gz	CQGQRTXRKXSXKF-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(-c2ccsc2C(=O)[O-])nc1C(F)(F)F	ZINC001205542672	812998482	/nfs/dbraw/zinc/99/84/82/812998482.db2.gz	PUHSMPYPHMECAQ-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccsc1C(=O)[O-]	ZINC001205573275	813009977	/nfs/dbraw/zinc/00/99/77/813009977.db2.gz	ZBAUCWVKYXWPEB-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1ccc2c(c1)CN(Cc1ccc(F)c(F)c1[O-])C2	ZINC001206456777	813326177	/nfs/dbraw/zinc/32/61/77/813326177.db2.gz	PJWLSTIAMOLOAX-UHFFFAOYSA-N	-1	0	286.281	3.058	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209894799	814191807	/nfs/dbraw/zinc/19/18/07/814191807.db2.gz	YTPNMZCUNSPTFM-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1coc(Nc2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001210008054	814240414	/nfs/dbraw/zinc/24/04/14/814240414.db2.gz	ZEYUUMXMOJCTLK-UHFFFAOYSA-N	-1	0	274.251	3.349	20	30		CGEDRM
Cc1cccc(Nc2cccc(CC(=O)[O-])c2)c1C#N	ZINC001210071014	814272814	/nfs/dbraw/zinc/27/28/14/814272814.db2.gz	PIFUIJDBQDXUCL-UHFFFAOYSA-N	-1	0	266.300	3.237	20	30		CGEDRM
N#Cc1cnc(Nc2cccc(C(=O)[O-])c2F)c(Cl)c1	ZINC001210238386	814358813	/nfs/dbraw/zinc/35/88/13/814358813.db2.gz	CDTADOGSLYWHOF-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc([N+](=O)[O-])c1F	ZINC001210381699	814434452	/nfs/dbraw/zinc/43/44/52/814434452.db2.gz	NAKLMQZFZIOLRG-UHFFFAOYSA-N	-1	0	279.252	3.116	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210394615	814442770	/nfs/dbraw/zinc/44/27/70/814442770.db2.gz	CUURZXJUTBJZQG-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC001210398536	814444761	/nfs/dbraw/zinc/44/47/61/814444761.db2.gz	LMCSGOSRVMQAMK-UHFFFAOYSA-N	-1	0	284.271	3.056	20	30		CGEDRM
N#Cc1cnc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC001210923441	814676684	/nfs/dbraw/zinc/67/66/84/814676684.db2.gz	UCYZQRIMGYYLCH-UHFFFAOYSA-N	-1	0	281.102	3.104	20	30		CGEDRM
Cc1cc(Nc2ccccc2C(=O)[O-])ccc1C#N	ZINC001210969369	814696333	/nfs/dbraw/zinc/69/63/33/814696333.db2.gz	QNWRLMZUHOUYJB-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccccc1C(=O)[O-]	ZINC001210969053	814696501	/nfs/dbraw/zinc/69/65/01/814696501.db2.gz	ODMCQWJLDPEGBM-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1ncc(Nc2cc(C#N)c(F)cc2[O-])cc1Cl	ZINC001211050792	814723247	/nfs/dbraw/zinc/72/32/47/814723247.db2.gz	ZRBOPEKAVKBHEB-UHFFFAOYSA-N	-1	0	293.685	3.204	20	30		CGEDRM
CCc1nnc(-c2cccc([O-])c2Cl)c(C#N)c1CC	ZINC001242799351	823136014	/nfs/dbraw/zinc/13/60/14/823136014.db2.gz	GULVNBMMVQRDEY-UHFFFAOYSA-N	-1	0	287.750	3.499	20	30		CGEDRM
COC(=O)c1cc(C)cc(Nc2scc([O-])c2C#N)c1	ZINC001211175505	814842573	/nfs/dbraw/zinc/84/25/73/814842573.db2.gz	XQULGXHPIUGOMS-UHFFFAOYSA-N	-1	0	288.328	3.164	20	30		CGEDRM
N#Cc1cc(Nc2cnccc2Cl)c([O-])cc1F	ZINC001211214060	814851136	/nfs/dbraw/zinc/85/11/36/814851136.db2.gz	XILFPLSCHWCNLW-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
Cc1cc(Nc2ccc(F)cc2C#N)cc(C(=O)[O-])c1	ZINC001211547113	814905428	/nfs/dbraw/zinc/90/54/28/814905428.db2.gz	GFQGIYHVMNZQEI-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3cccc(F)c3[O-])n2)c1	ZINC001215863177	815617159	/nfs/dbraw/zinc/61/71/59/815617159.db2.gz	TVGIAFOORQQWJS-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
C#Cc1cccnc1Nc1cc(C)c(C(=O)[O-])c(C)c1	ZINC001216307809	815774165	/nfs/dbraw/zinc/77/41/65/815774165.db2.gz	KHYDOQYDEMEQLH-UHFFFAOYSA-N	-1	0	266.300	3.122	20	30		CGEDRM
Cc1c(Nc2cc(C#N)ccc2O)cccc1C(=O)[O-]	ZINC001216661545	815888859	/nfs/dbraw/zinc/88/88/59/815888859.db2.gz	KOHCCQKHIAFFED-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1cnc2cc(-c3ccccc3C(=O)[O-])ccc2c1	ZINC001242880646	823162994	/nfs/dbraw/zinc/16/29/94/823162994.db2.gz	KAXWUKGYWJHUHU-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(/C=N/O)ccc1F	ZINC001242923909	823173468	/nfs/dbraw/zinc/17/34/68/823173468.db2.gz	IBVKPYHZAULXPH-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
O=C([O-])c1cc(F)c(-c2cccc(/C=N/O)c2)c(F)c1	ZINC001222407280	816436442	/nfs/dbraw/zinc/43/64/42/816436442.db2.gz	BJZMOXUDCAGBCP-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
C=C(C)C[C@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)C(=C)C	ZINC001225978523	817236582	/nfs/dbraw/zinc/23/65/82/817236582.db2.gz	SYYZFBDIUYTYQX-VIFPVBQESA-N	-1	0	288.269	3.491	20	30		CGEDRM
C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)[C@@H]1C	ZINC001226008626	817247241	/nfs/dbraw/zinc/24/72/41/817247241.db2.gz	KXULAHXMLHXDKC-KBVBSXBZSA-N	-1	0	264.300	3.001	20	30		CGEDRM
C=C[C@H](CC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226066151	817262506	/nfs/dbraw/zinc/26/25/06/817262506.db2.gz	YUVGXGQRRUNYMH-SSDOTTSWSA-N	-1	0	272.226	3.021	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)c1ccco1	ZINC001226069139	817263686	/nfs/dbraw/zinc/26/36/86/817263686.db2.gz	ZKUROOPPOLPCPY-SSDOTTSWSA-N	-1	0	298.220	3.411	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C#N	ZINC001226223572	817301449	/nfs/dbraw/zinc/30/14/49/817301449.db2.gz	RJGITOJCIKOYIU-JTQLQIEISA-N	-1	0	299.286	3.016	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccccc2F)c1C#N	ZINC001226220992	817302707	/nfs/dbraw/zinc/30/27/07/817302707.db2.gz	DZKSKYDWQWLRNM-SNVBAGLBSA-N	-1	0	272.279	3.246	20	30		CGEDRM
C=CCCCCCC[C@@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-]	ZINC001226335414	817331095	/nfs/dbraw/zinc/33/10/95/817331095.db2.gz	GUMAZMDUXYYVTG-LLVKDONJSA-N	-1	0	295.339	3.384	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(C)c(C(=O)[O-])c2)nc1C	ZINC001243195673	823285481	/nfs/dbraw/zinc/28/54/81/823285481.db2.gz	ORVRNMRMNOHFLZ-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1ccc(-c2cccc(/C=N/O)c2)cc1C(=O)[O-]	ZINC001243198085	823286692	/nfs/dbraw/zinc/28/66/92/823286692.db2.gz	WRXSZOMRMVLKFV-CXUHLZMHSA-N	-1	0	255.273	3.168	20	30		CGEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2c(Br)cccc12	ZINC001228061700	817799467	/nfs/dbraw/zinc/79/94/67/817799467.db2.gz	CKENBRKZBAYBAH-ZETCQYMHSA-N	-1	0	295.136	3.051	20	30		CGEDRM
CCc1nnc(-c2ccc(C(=O)[O-])cc2C)c(C#N)c1CC	ZINC001243203499	823289417	/nfs/dbraw/zinc/28/94/17/823289417.db2.gz	RYRJQNLHYRFGAH-UHFFFAOYSA-N	-1	0	295.342	3.147	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243219035	823298205	/nfs/dbraw/zinc/29/82/05/823298205.db2.gz	YDYMLSFLBXQCJG-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])c(C)c2)ccc1F	ZINC001243216701	823296977	/nfs/dbraw/zinc/29/69/77/823296977.db2.gz	GXIGZXXJMODJFJ-GIJQJNRQSA-N	-1	0	287.290	3.480	20	30		CGEDRM
CN(Cc1cc(C#N)ccc1[O-])[C@H](C1CCC1)C(F)(F)F	ZINC001232679038	818417791	/nfs/dbraw/zinc/41/77/91/818417791.db2.gz	ZBERXMKVEYKYGK-CQSZACIVSA-N	-1	0	298.308	3.427	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc([O-])c(F)c1F)CCC2	ZINC001243340413	823353755	/nfs/dbraw/zinc/35/37/55/823353755.db2.gz	XHZBNGQKUMGJMO-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
CCCC/C=C/[C@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233919420	818730573	/nfs/dbraw/zinc/73/05/73/818730573.db2.gz	NXCRZEGNQAZAFB-GUOLPTJISA-N	-1	0	260.337	3.481	20	30		CGEDRM
CCC[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)C	ZINC001234511017	818869758	/nfs/dbraw/zinc/86/97/58/818869758.db2.gz	HUGHMFYIMCLLKU-ZDUSSCGKSA-N	-1	0	285.347	3.411	20	30		CGEDRM
CC[C@@H](C)[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513478	818872456	/nfs/dbraw/zinc/87/24/56/818872456.db2.gz	LXMVEEJWIAQZPP-NXEZZACHSA-N	-1	0	271.320	3.020	20	30		CGEDRM
CCC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530780	818876071	/nfs/dbraw/zinc/87/60/71/818876071.db2.gz	MWLZZDYWQDAJFQ-LLVKDONJSA-N	-1	0	271.320	3.165	20	30		CGEDRM
C[C@@H](Oc1ccccc1C=N[O-])c1ccncc1F	ZINC001234818992	818925313	/nfs/dbraw/zinc/92/53/13/818925313.db2.gz	GFZCJGCQZHUQAO-SNVBAGLBSA-N	-1	0	260.268	3.169	20	30		CGEDRM
O=C([O-])/C=C/c1ccc(-c2cccc(/C=N/O)c2)cc1	ZINC001235532147	819117827	/nfs/dbraw/zinc/11/78/27/819117827.db2.gz	RPRBEVNPDHQBKN-OEMBIGBOSA-N	-1	0	267.284	3.260	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2ccc(F)c(CO)c2F)c1	ZINC001235887390	819198231	/nfs/dbraw/zinc/19/82/31/819198231.db2.gz	OHZJNANUQKRCFA-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
Cc1cnc(-c2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001235983878	819258350	/nfs/dbraw/zinc/25/83/50/819258350.db2.gz	BYDIONSUICNTIK-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])cc2)c(C#N)c(C)c1C	ZINC001236058046	819292387	/nfs/dbraw/zinc/29/23/87/819292387.db2.gz	IODBPKGVXYSDME-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F	ZINC001236062058	819294746	/nfs/dbraw/zinc/29/47/46/819294746.db2.gz	YDOPOQXWRIJZGG-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236066238	819298583	/nfs/dbraw/zinc/29/85/83/819298583.db2.gz	RXOGALVPJUGHMK-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
Cc1c(Cl)c(-c2ncccc2CC#N)ccc1C(=O)[O-]	ZINC001236107899	819323789	/nfs/dbraw/zinc/32/37/89/819323789.db2.gz	HJRIXEAWMRINDP-UHFFFAOYSA-N	-1	0	286.718	3.475	20	30		CGEDRM
N#CCc1ncccc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236164423	819351131	/nfs/dbraw/zinc/35/11/31/819351131.db2.gz	NUFYSRHQLZALTQ-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
Cc1ccc(F)c(-c2nc3ncccc3cc2C#N)c1[O-]	ZINC001236401752	819451328	/nfs/dbraw/zinc/45/13/28/819451328.db2.gz	BPTJWZYYKWPIHO-UHFFFAOYSA-N	-1	0	279.274	3.322	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])c(F)c2F)ccc1C#N	ZINC001243513142	823426730	/nfs/dbraw/zinc/42/67/30/823426730.db2.gz	FMAVHLYUCMEUFZ-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239243049	820238394	/nfs/dbraw/zinc/23/83/94/820238394.db2.gz	FOTIXYADSUREDQ-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
CC#Cc1cncc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239351405	820286076	/nfs/dbraw/zinc/28/60/76/820286076.db2.gz	GQOQICUSEJZEFD-UHFFFAOYSA-N	-1	0	273.238	3.096	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1ccc(CC(=O)[O-])cc1	ZINC001240973584	821457486	/nfs/dbraw/zinc/45/74/86/821457486.db2.gz	VWTBWHPXDHDAHT-UHFFFAOYSA-N	-1	0	267.328	3.413	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001240999409	821477554	/nfs/dbraw/zinc/47/75/54/821477554.db2.gz	MJTWEXJOIJZVAQ-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(C#N)cc(C#N)c1	ZINC001242211346	822911590	/nfs/dbraw/zinc/91/15/90/822911590.db2.gz	YCJCSKFNWXQMIT-UHFFFAOYSA-N	-1	0	280.258	3.243	20	30		CGEDRM
N#Cc1cc2nc(-c3cccc(Cl)c3[O-])ccc2[nH]1	ZINC001242365542	822968932	/nfs/dbraw/zinc/96/89/32/822968932.db2.gz	WPDLUSNHUHSPJY-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
COc1ccc(-c2cc(C(=O)[O-])ccc2OC)cc1CC#N	ZINC001242390580	822978684	/nfs/dbraw/zinc/97/86/84/822978684.db2.gz	VWKPYVUEFDBQEX-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2cccc(F)n2)ccc1C	ZINC001342679682	936475761	/nfs/dbraw/zinc/47/57/61/936475761.db2.gz	GCZPVNWFJLSOET-CQSZACIVSA-N	-1	0	296.301	3.222	20	30		CGEDRM
CCn1nc(C)c(/C=C\C(=O)c2cc(C)ccc2O)c1C	ZINC000255093711	926712739	/nfs/dbraw/zinc/71/27/39/926712739.db2.gz	ITETYPWGXFYOGC-CLFYSBASSA-N	-1	0	284.359	3.430	20	30		CGEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230886617	928073528	/nfs/dbraw/zinc/07/35/28/928073528.db2.gz	RMTBBGRLCGZYDK-VIFPVBQESA-N	-1	0	276.723	3.170	20	30		CGEDRM
N#Cc1cc2nc(-c3cc(F)c([O-])c(F)c3)ccc2[nH]1	ZINC001244091634	928136342	/nfs/dbraw/zinc/13/63/42/928136342.db2.gz	GKMBWIXOSUMYCZ-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
C[C@H](C(=O)N(O)Cc1cccc2ccccc21)n1ccnc1	ZINC001458015654	937448804	/nfs/dbraw/zinc/44/88/04/937448804.db2.gz	GHSQVTRCKZFMBS-CYBMUJFWSA-N	-1	0	295.342	3.015	20	30		CGEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H](c1ccccc1)C1CC1	ZINC001228898855	932048200	/nfs/dbraw/zinc/04/82/00/932048200.db2.gz	NRLSTCAZTMCRHP-HNNXBMFYSA-N	-1	0	266.300	3.189	20	30		CGEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885414	932635804	/nfs/dbraw/zinc/63/58/04/932635804.db2.gz	KGINOCWMJPGJIL-BXKDBHETSA-N	-1	0	288.734	3.170	20	30		CGEDRM
N#C[C@@H]1CC[C@@H](Oc2cccc3oc(=S)[n-]c32)C1	ZINC001231063267	932670098	/nfs/dbraw/zinc/67/00/98/932670098.db2.gz	DHQFYCPQTPYWSZ-RKDXNWHRSA-N	-1	0	260.318	3.188	20	30		CGEDRM
C[C@H](Oc1ccnc(Br)c1C#N)C1=CC=C[CH]1	ZINC001234427358	932685814	/nfs/dbraw/zinc/68/58/14/932685814.db2.gz	XITZGDJXMDTSIZ-VIFPVBQESA-N	-1	0	290.140	3.184	20	30		CGEDRM
CC(N=Nc1ccn(C)n1)c1ccc(Cl)c(Cl)c1[O-]	ZINC001324492978	934515485	/nfs/dbraw/zinc/51/54/85/934515485.db2.gz	JXKCUJGWCODKTI-UHFFFAOYSA-N	-1	0	299.161	3.269	20	30		CGEDRM
Cc1cccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC001330806834	935323495	/nfs/dbraw/zinc/32/34/95/935323495.db2.gz	KASPUSDKOTYBNE-GFCCVEGCSA-N	-1	0	280.327	3.315	20	30		CGEDRM
N#CC(=C([O-])C=Cc1nccs1)c1nc2ccccc2o1	ZINC001516674719	938009285	/nfs/dbraw/zinc/00/92/85/938009285.db2.gz	GHPQQGNLCOFYHR-WWQCOOJYSA-N	-1	0	295.323	3.174	20	30		CGEDRM
CCCCCCCCC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC000110965213	949218980	/nfs/dbraw/zinc/21/89/80/949218980.db2.gz	SFHGXWAZAMYNEH-UHFFFAOYSA-N	-1	0	278.352	3.469	20	30		CGEDRM
C=CC(C)(C)CNC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000384932644	971967461	/nfs/dbraw/zinc/96/74/61/971967461.db2.gz	IOCNXCBLLSXHEZ-UHFFFAOYSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C=C(C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000386822800	972083529	/nfs/dbraw/zinc/08/35/29/972083529.db2.gz	GMJWIKFVJYHGLY-UHFFFAOYSA-N	-1	0	284.699	3.325	20	30		CGEDRM
N#Cc1nc(Oc2ccc(CC(=O)[O-])cc2)ccc1Cl	ZINC001594635719	956371080	/nfs/dbraw/zinc/37/10/80/956371080.db2.gz	RWQFCHDJSJXBOV-UHFFFAOYSA-N	-1	0	288.690	3.026	20	30		CGEDRM
Cc1cc(F)c(C#N)c(NC(C)(C)CCC(=O)[O-])c1	ZINC001594309156	957997173	/nfs/dbraw/zinc/99/71/73/957997173.db2.gz	PNTPYCVYLBHWFX-UHFFFAOYSA-N	-1	0	264.300	3.061	20	30		CGEDRM
CCCCCCCCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC000110933870	958401599	/nfs/dbraw/zinc/40/15/99/958401599.db2.gz	QWXLGQJFVYNQTO-UHFFFAOYSA-N	-1	0	278.352	3.469	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001573329764	962813340	/nfs/dbraw/zinc/81/33/40/962813340.db2.gz	MICHVTUXSZXXNO-UHFFFAOYSA-N	-1	0	289.375	3.415	20	30		CGEDRM
C#C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccccc1	ZINC001584693453	962952084	/nfs/dbraw/zinc/95/20/84/962952084.db2.gz	GCLWXAWSCZOBLU-CQSZACIVSA-N	-1	0	285.730	3.150	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cccc(NC(=O)[O-])c1	ZINC001573353538	963003287	/nfs/dbraw/zinc/00/32/87/963003287.db2.gz	YGINQZJUSOWEHW-UHFFFAOYSA-N	-1	0	290.363	3.499	20	30		CGEDRM
C=CCCOCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001573360674	963041349	/nfs/dbraw/zinc/04/13/49/963041349.db2.gz	VAVHVCGXVKPKNQ-UHFFFAOYSA-N	-1	0	299.326	3.069	20	30		CGEDRM
C=CC[C@H](N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC001588745528	963171070	/nfs/dbraw/zinc/17/10/70/963171070.db2.gz	KBXIGTFHYAVCCR-ZJUUUORDSA-N	-1	0	282.409	3.121	20	30		CGEDRM
C=C(CC)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1	ZINC001588444546	963265835	/nfs/dbraw/zinc/26/58/35/963265835.db2.gz	IFEUNYMMPHXHSV-UHFFFAOYSA-N	-1	0	287.359	3.057	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC001588529912	963277468	/nfs/dbraw/zinc/27/74/68/963277468.db2.gz	LIRAGVJFYXFYPQ-UHFFFAOYSA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=CC[C@@H]1N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1(C)C	ZINC001588457146	963278858	/nfs/dbraw/zinc/27/88/58/963278858.db2.gz	MUXHAEPIUISFBL-MJBXVCDLSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001588536188	963285751	/nfs/dbraw/zinc/28/57/51/963285751.db2.gz	PUKQSEAAWLKSRJ-MRVPVSSYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=C(CC)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12	ZINC001588605389	963295110	/nfs/dbraw/zinc/29/51/10/963295110.db2.gz	CPXPONUJMQAPAM-UHFFFAOYSA-N	-1	0	299.326	3.208	20	30		CGEDRM
C=C1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1	ZINC001588651041	963298050	/nfs/dbraw/zinc/29/80/50/963298050.db2.gz	UQUKFOFQRSWDDH-UHFFFAOYSA-N	-1	0	293.322	3.064	20	30		CGEDRM
C=C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1	ZINC001588711465	963304625	/nfs/dbraw/zinc/30/46/25/963304625.db2.gz	AJTFXGFHUPRHRC-KKUMJFAQSA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=C[C@@H](Nc1cc(Cl)ccc1OCCC)C(=O)[O-]	ZINC001588702780	963306364	/nfs/dbraw/zinc/30/63/64/963306364.db2.gz	YFALNZDSVULIHX-SNVBAGLBSA-N	-1	0	269.728	3.180	20	30		CGEDRM
C=CC[C@H](SC1CCC(F)(F)CC1)C(=O)[O-]	ZINC001588758199	963308177	/nfs/dbraw/zinc/30/81/77/963308177.db2.gz	FDUXYLXCNORKBW-VIFPVBQESA-N	-1	0	250.310	3.327	20	30		CGEDRM
C=CC[C@@H](OC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-]	ZINC001588754335	963308383	/nfs/dbraw/zinc/30/83/83/963308383.db2.gz	YEXHESVSYKETEX-GFCCVEGCSA-N	-1	0	298.285	3.129	20	30		CGEDRM
C=CCC(C)(C)C(=O)OCc1ccsc1C(=O)[O-]	ZINC001588736852	963308433	/nfs/dbraw/zinc/30/84/33/963308433.db2.gz	WVUUQPVUTCEUQD-UHFFFAOYSA-N	-1	0	268.334	3.092	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-]	ZINC001588790445	963313479	/nfs/dbraw/zinc/31/34/79/963313479.db2.gz	WZVWPPJXZJZNRH-ZIAGYGMSSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC001588789653	963318728	/nfs/dbraw/zinc/31/87/28/963318728.db2.gz	HIMYUSOCYWGXFN-MCIONIFRSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1	ZINC001588820419	963320373	/nfs/dbraw/zinc/32/03/73/963320373.db2.gz	BHAVLDREFTXLCH-UHFFFAOYSA-N	-1	0	285.299	3.119	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)NCC(C)(C)C(=O)[O-]	ZINC001588814896	963322428	/nfs/dbraw/zinc/32/24/28/963322428.db2.gz	XPYSJBJCBJZYLH-UHFFFAOYSA-N	-1	0	290.363	3.038	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588817302	963323137	/nfs/dbraw/zinc/32/31/37/963323137.db2.gz	HEIHXJBUOCDAAU-UHFFFAOYSA-N	-1	0	296.326	3.151	20	30		CGEDRM
C/C(=C\C(=O)[O-])CSc1cccc(Cl)c1C#N	ZINC001588951907	963333134	/nfs/dbraw/zinc/33/31/34/963333134.db2.gz	HGMHAPWSWDYUFU-VMPITWQZSA-N	-1	0	267.737	3.335	20	30		CGEDRM
CC(=NNc1ccc(Cl)nc1)c1cc(C(=O)[O-])cs1	ZINC001589016311	963343062	/nfs/dbraw/zinc/34/30/62/963343062.db2.gz	FDBIGKMHRJFFDW-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
C=CCCCCCCNC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000314887375	963825179	/nfs/dbraw/zinc/82/51/79/963825179.db2.gz	BTEBEEGQZRMUGB-UHFFFAOYSA-N	-1	0	291.351	3.038	20	30		CGEDRM
CCCCCCN(O)C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001589645929	964010428	/nfs/dbraw/zinc/01/04/28/964010428.db2.gz	XSUMDLBFMLZKJQ-UHFFFAOYSA-N	-1	0	279.336	3.105	20	30		CGEDRM
CCCCCCCNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001589645357	964012224	/nfs/dbraw/zinc/01/22/24/964012224.db2.gz	YJSHDYFBKWQORS-UHFFFAOYSA-N	-1	0	283.412	3.498	20	30		CGEDRM
CCCCCCCNC(=O)NCc1cccc(C(=O)[O-])c1	ZINC001589644839	964012985	/nfs/dbraw/zinc/01/29/85/964012985.db2.gz	CBFDLJTYSFPGEP-UHFFFAOYSA-N	-1	0	292.379	3.154	20	30		CGEDRM
C#CCCCCC(=O)OCc1c(Cl)cccc1C(=O)[O-]	ZINC001588440587	964040574	/nfs/dbraw/zinc/04/05/74/964040574.db2.gz	BRZVEKQIVQCBQM-UHFFFAOYSA-N	-1	0	294.734	3.275	20	30		CGEDRM
N#Cc1cccc(S[C@H](C(=O)[O-])C2CC2)c1Cl	ZINC001605619996	973941512	/nfs/dbraw/zinc/94/15/12/973941512.db2.gz	QHTIWCAJFQKCSK-NSHDSACASA-N	-1	0	267.737	3.167	20	30		CGEDRM
C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(CC#N)cc1	ZINC001592446522	978125227	/nfs/dbraw/zinc/12/52/27/978125227.db2.gz	YZPVXOZWINAOCV-LBPRGKRZSA-N	-1	0	274.364	3.444	20	30		CGEDRM
C[C@@H](CCC#N)CNc1cc(C(=O)[O-])cc2cccnc21	ZINC001592470147	978217702	/nfs/dbraw/zinc/21/77/02/978217702.db2.gz	DLCBGUOGWUJQAA-NSHDSACASA-N	-1	0	283.331	3.285	20	30		CGEDRM
C[C@@H](CCC#N)CN1CCCCc2cc(C(=O)[O-])ccc21	ZINC001592472002	978235535	/nfs/dbraw/zinc/23/55/35/978235535.db2.gz	ZEPDIZCYHFXWKT-ZDUSSCGKSA-N	-1	0	286.375	3.467	20	30		CGEDRM
CCCC[C@H](Sc1c(C#N)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC001595657785	982066774	/nfs/dbraw/zinc/06/67/74/982066774.db2.gz	SADZEMOHQGQORR-NSHDSACASA-N	-1	0	294.332	3.202	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001588690981	983877862	/nfs/dbraw/zinc/87/78/62/983877862.db2.gz	NRYNBUFTCPBQIF-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
CCc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F	ZINC001597483441	987987686	/nfs/dbraw/zinc/98/76/86/987987686.db2.gz	QWPNTBJCKHJIKV-INIZCTEOSA-N	-1	0	298.317	3.498	20	30		CGEDRM
CCc1ccc(NN=Cc2cccn2[C@H](C)C(=O)[O-])cc1	ZINC001597551519	988275928	/nfs/dbraw/zinc/27/59/28/988275928.db2.gz	JMPILBFEAOHZFH-GFCCVEGCSA-N	-1	0	285.347	3.142	20	30		CGEDRM
CCc1sc(C(=O)[O-])cc1-c1cnc(C#N)c(C)c1	ZINC001597821206	989464315	/nfs/dbraw/zinc/46/43/15/989464315.db2.gz	WOKVFBKIIJAQOA-UHFFFAOYSA-N	-1	0	272.329	3.251	20	30		CGEDRM
CC(C)N(CCC#N)Cc1ccc(C(=O)[O-])c(Cl)c1	ZINC001591574200	992781631	/nfs/dbraw/zinc/78/16/31/992781631.db2.gz	CDFQVEWKRCRJTQ-UHFFFAOYSA-N	-1	0	280.755	3.162	20	30		CGEDRM
C[C@@H](Sc1cccnc1C#N)c1ccc(C(=O)[O-])o1	ZINC001593679349	996099866	/nfs/dbraw/zinc/09/98/66/996099866.db2.gz	JBGZLXWJEDUBKH-MRVPVSSYSA-N	-1	0	274.301	3.098	20	30		CGEDRM
C[C@@]1(C#N)CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC001593742676	996362005	/nfs/dbraw/zinc/36/20/05/996362005.db2.gz	CXJLNDYCVWJJQQ-HNNXBMFYSA-N	-1	0	292.766	3.164	20	30		CGEDRM
COc1cc(C#N)ccc1CNc1ccc(C)c(C(=O)[O-])c1	ZINC001599347692	998037795	/nfs/dbraw/zinc/03/77/95/998037795.db2.gz	IZOHNHJSBAFMGZ-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
C[C@@H]1c2ccccc2C(=O)/C1=C\c1ccoc1C(=O)[O-]	ZINC001594120568	998271693	/nfs/dbraw/zinc/27/16/93/998271693.db2.gz	PFMHJQUTFFDBRA-PGEKAQRJSA-N	-1	0	268.268	3.361	20	30		CGEDRM
C[C@H]1c2ccccc2C(=O)/C1=C/c1ccoc1C(=O)[O-]	ZINC001594120566	998272159	/nfs/dbraw/zinc/27/21/59/998272159.db2.gz	PFMHJQUTFFDBRA-ITTMYVLYSA-N	-1	0	268.268	3.361	20	30		CGEDRM
CC[C@H](C)[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000591325219	346915717	/nfs/dbraw/zinc/91/57/17/346915717.db2.gz	ZUDMCBSGQCJJAK-GWCFXTLKSA-N	-1	0	289.379	3.162	20	30		CGEDRM
N#CC1CCC(CNc2ncc(C(=O)[O-])cc2Cl)CC1	ZINC000592421961	346986039	/nfs/dbraw/zinc/98/60/39/346986039.db2.gz	XXMHBMFXHMZYPY-UHFFFAOYSA-N	-1	0	293.754	3.175	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)sc1C	ZINC000091010755	345800468	/nfs/dbraw/zinc/80/04/68/345800468.db2.gz	ICUJTEILJQWCAZ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1cc(S(=O)(=O)[N-]c2ccsc2)ccc1Cl	ZINC000174735160	232305818	/nfs/dbraw/zinc/30/58/18/232305818.db2.gz	HNHAFVGSRXIKLC-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
COc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000254288020	346395213	/nfs/dbraw/zinc/39/52/13/346395213.db2.gz	QYRWFXBOPQEMCB-UHFFFAOYSA-N	-1	0	272.260	3.060	20	30		CGEDRM
CC1CCC(n2[n-]c(-c3cccc(C#N)c3)cc2=O)CC1	ZINC000601940126	347927132	/nfs/dbraw/zinc/92/71/32/347927132.db2.gz	RXGJIGMMLPUPEC-UHFFFAOYSA-N	-1	0	281.359	3.073	20	30		CGEDRM
CC1(Cn2[n-]c(-c3cccc(C#N)c3)cc2=O)CCCC1	ZINC000601949915	347928580	/nfs/dbraw/zinc/92/85/80/347928580.db2.gz	MCSCPKAPWMVQSW-UHFFFAOYSA-N	-1	0	281.359	3.075	20	30		CGEDRM
CCC(C)(C)c1n[n-]c(=N[C@H]2CCc3cc(C#N)ccc32)o1	ZINC000603366079	348074936	/nfs/dbraw/zinc/07/49/36/348074936.db2.gz	NSGKZLOBRXDLND-AWEZNQCLSA-N	-1	0	296.374	3.150	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041546222	369191094	/nfs/dbraw/zinc/19/10/94/369191094.db2.gz	LEQUGPYEBJPRQL-CYBMUJFWSA-N	-1	0	292.294	3.326	20	30		CGEDRM
N#CC(=C([O-])c1ccc(Cl)o1)c1nc2ccccc2[nH]1	ZINC000073972272	369868220	/nfs/dbraw/zinc/86/82/20/369868220.db2.gz	MWCYZKSCNDZZQT-QMMMGPOBSA-N	-1	0	285.690	3.299	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)o2)n1	ZINC000073975010	369868258	/nfs/dbraw/zinc/86/82/58/369868258.db2.gz	AHWCIIAECZINBJ-ZETCQYMHSA-N	-1	0	266.709	3.188	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C#N)o2)s1	ZINC000429563215	372373083	/nfs/dbraw/zinc/37/30/83/372373083.db2.gz	BSBWXWHZMNNPMJ-JTQLQIEISA-N	-1	0	299.355	3.395	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncs2)s1	ZINC000429567563	372375862	/nfs/dbraw/zinc/37/58/62/372375862.db2.gz	NPCQLLPRSJLYMB-QMMMGPOBSA-N	-1	0	291.401	3.387	20	30		CGEDRM
CCc1cncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000434622453	372694413	/nfs/dbraw/zinc/69/44/13/372694413.db2.gz	FAYUBIQJXUONRK-CYBMUJFWSA-N	-1	0	291.310	3.275	20	30		CGEDRM
CCS[C@H]1CCC[C@H](/N=C/c2ccc(O)c(O)c2O)C1	ZINC000176413863	373593421	/nfs/dbraw/zinc/59/34/21/373593421.db2.gz	HHVXMZXHDLHWQU-STQKSKDHSA-N	-1	0	295.404	3.287	20	30		CGEDRM
C=CCCCCCN=c1[n-]nc(C2CCOCC2)s1	ZINC000520428258	375854793	/nfs/dbraw/zinc/85/47/93/375854793.db2.gz	PFUURHOOVOHMPB-UHFFFAOYSA-N	-1	0	281.425	3.012	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000543565382	376655246	/nfs/dbraw/zinc/65/52/46/376655246.db2.gz	DIYWBHVTQHWXSW-QMMMGPOBSA-N	-1	0	287.281	3.284	20	30		CGEDRM
Cc1oc2ccccc2c1C([O-])=C(C#N)c1ccncn1	ZINC000343943739	378140106	/nfs/dbraw/zinc/14/01/06/378140106.db2.gz	KTYWOPHUKJYIGR-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CCCN=c1[n-]nc(S[C@H](C#N)c2ccccc2)s1	ZINC000579252869	378145242	/nfs/dbraw/zinc/14/52/42/378145242.db2.gz	GRDKUIRXXBSWMO-LLVKDONJSA-N	-1	0	290.417	3.139	20	30		CGEDRM
CCCCCCCC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1	ZINC000739328594	572410975	/nfs/dbraw/zinc/41/09/75/572410975.db2.gz	DQKCQQZGTNHLEQ-CYBMUJFWSA-N	-1	0	298.427	3.242	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1nc2ccccc2s1	ZINC000348559029	378993853	/nfs/dbraw/zinc/99/38/53/378993853.db2.gz	XYAHBTVJVSYCOD-QMMMGPOBSA-N	-1	0	285.353	3.243	20	30		CGEDRM
CCC[C@@H](CC)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000279841515	379531483	/nfs/dbraw/zinc/53/14/83/379531483.db2.gz	DALQARFHWCGDKX-GFCCVEGCSA-N	-1	0	290.392	3.118	20	30		CGEDRM
N#C[C@@H](C(=O)c1ccc2ccccc2c1)c1ccncn1	ZINC000354459696	380448007	/nfs/dbraw/zinc/44/80/07/380448007.db2.gz	FFDBXFHIERZMHA-OAHLLOKOSA-N	-1	0	273.295	3.120	20	30		CGEDRM
N#Cc1ccc2c(c1)CCC[C@H]2N=c1nc(C2CC2)[n-]s1	ZINC000419022318	380763973	/nfs/dbraw/zinc/76/39/73/380763973.db2.gz	ZSMPSZSBEVHJMH-CQSZACIVSA-N	-1	0	296.399	3.199	20	30		CGEDRM
N#Cc1cnccc1/C=C\c1ccc(C(=O)[O-])cc1Cl	ZINC000349108126	393137925	/nfs/dbraw/zinc/13/79/25/393137925.db2.gz	KSFNUXGWXZSNLO-UPHRSURJSA-N	-1	0	284.702	3.475	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1c([O-])cc(F)cc1F	ZINC000678894840	543569830	/nfs/dbraw/zinc/56/98/30/543569830.db2.gz	GBTKNDOFNMEHPV-VIFPVBQESA-N	-1	0	269.291	3.145	20	30		CGEDRM
N#CC(=C([O-])c1cc2ccc(F)cc2s1)c1ccncn1	ZINC000680617718	543719963	/nfs/dbraw/zinc/71/99/63/543719963.db2.gz	ZEHOTMCWZDZACW-LLVKDONJSA-N	-1	0	297.314	3.320	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)NCCCCCC(=O)[O-]	ZINC000659406921	418983847	/nfs/dbraw/zinc/98/38/47/418983847.db2.gz	SUIOONXMYGCMQI-UONOGXRCSA-N	-1	0	296.411	3.066	20	30		CGEDRM
N#CC(=C([O-])c1cc(C#N)cs1)c1nc2ccccc2o1	ZINC000083938581	260359922	/nfs/dbraw/zinc/35/99/22/260359922.db2.gz	JUQNBTRGGFMNSJ-JTQLQIEISA-N	-1	0	293.307	3.251	20	30		CGEDRM
Cn1ccc2c1cccc2NC(=O)c1ccc(C#N)c([O-])c1	ZINC000525948342	270121141	/nfs/dbraw/zinc/12/11/41/270121141.db2.gz	OKLFXSWRYLNRKB-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/CCOCC(F)F	ZINC000189559938	327867461	/nfs/dbraw/zinc/86/74/61/327867461.db2.gz	WZIDYBQYHUYLJG-FZSIALSZSA-N	-1	0	298.116	3.400	20	30		CGEDRM
C=CCn1c(SCC[C@H]2CCC[C@@H](C)C2)n[n-]c1=N	ZINC000531793595	328034855	/nfs/dbraw/zinc/03/48/55/328034855.db2.gz	CWUOSVVSFVZEGE-VXGBXAGGSA-N	-1	0	280.441	3.185	20	30		CGEDRM
Cc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cccs2)o1	ZINC000042243193	328762578	/nfs/dbraw/zinc/76/25/78/328762578.db2.gz	YEEFAHBVZDWVDV-VOTSOKGWSA-N	-1	0	297.357	3.008	20	30		CGEDRM
C=CCn1c([C@@H]2CC[C@H](C)O2)n[n-]c1=Nc1ccccc1C	ZINC000582946891	329292550	/nfs/dbraw/zinc/29/25/50/329292550.db2.gz	QQDPSCVPKPHSCZ-ZFWWWQNUSA-N	-1	0	298.390	3.178	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)CC1(C(=O)[O-])CCC1	ZINC000262517153	330019204	/nfs/dbraw/zinc/01/92/04/330019204.db2.gz	NBZLBEOUMBFBTA-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]	ZINC000262944922	330037422	/nfs/dbraw/zinc/03/74/22/330037422.db2.gz	CSCKEXHAZBIJHE-ZDUSSCGKSA-N	-1	0	281.396	3.151	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cscc2C)n1	ZINC000175081298	335172928	/nfs/dbraw/zinc/17/29/28/335172928.db2.gz	NXLQTQNONAKYNI-SECBINFHSA-N	-1	0	262.359	3.312	20	30		CGEDRM
CCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)s1	ZINC000581348289	336056238	/nfs/dbraw/zinc/05/62/38/336056238.db2.gz	VYGBVTHVEPIWBE-CLFYSBASSA-N	-1	0	285.372	3.134	20	30		CGEDRM
C=CCCCNc1cccc2c1CCN(C(=O)[O-])C2	ZINC000738493177	571804906	/nfs/dbraw/zinc/80/49/06/571804906.db2.gz	LAJWPTGRCDGJJS-UHFFFAOYSA-N	-1	0	260.337	3.101	20	30		CGEDRM
COc1cccc(/C=N/[C@@H](CC(=O)[O-])c2ccccc2)c1O	ZINC000738095857	572364077	/nfs/dbraw/zinc/36/40/77/572364077.db2.gz	KKIBTWZLFZQFJL-BGARDKSCSA-N	-1	0	299.326	3.036	20	30		CGEDRM
CCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000739331510	572366752	/nfs/dbraw/zinc/36/67/52/572366752.db2.gz	RJBGKMLFNOFMMN-AGUYFDCRSA-N	-1	0	296.411	3.137	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738471120	572377105	/nfs/dbraw/zinc/37/71/05/572377105.db2.gz	PVFXGXQQPLSRCK-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
C=CCNC(=S)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000730954796	572387444	/nfs/dbraw/zinc/38/74/44/572387444.db2.gz	KVWULQXWCGOVQK-NSHDSACASA-N	-1	0	291.445	3.411	20	30		CGEDRM
N#Cc1ccc([C@@H](Nc2ccc3[nH]ccc3c2)C(=O)[O-])cc1	ZINC000739109794	572402027	/nfs/dbraw/zinc/40/20/27/572402027.db2.gz	NDJZYZRVAWTZCQ-MRXNPFEDSA-N	-1	0	291.310	3.277	20	30		CGEDRM
N#Cc1cccc(OCCNc2cccc(NC(=O)[O-])c2)c1	ZINC000739140591	572402928	/nfs/dbraw/zinc/40/29/28/572402928.db2.gz	UMDOJXXHUSCFKG-UHFFFAOYSA-N	-1	0	297.314	3.139	20	30		CGEDRM
O=C([O-])C[C@@H](/N=C/c1ccccc1O)c1ccccc1	ZINC000739627723	572420754	/nfs/dbraw/zinc/42/07/54/572420754.db2.gz	ZELBAWBPWNVTPJ-SWEABUAFSA-N	-1	0	269.300	3.027	20	30		CGEDRM
O=C([O-])CC[C@H](/N=C/c1ccccc1O)c1ccccc1	ZINC000739659177	572422349	/nfs/dbraw/zinc/42/23/49/572422349.db2.gz	JXEOGDCOJGGLSC-BRFSQIRFSA-N	-1	0	283.327	3.417	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2\CCOc3ccccc3C2=O)o1	ZINC000740122412	572433180	/nfs/dbraw/zinc/43/31/80/572433180.db2.gz	CDVMPZRHCYSYMZ-MDZDMXLPSA-N	-1	0	284.267	3.027	20	30		CGEDRM
Cc1ccc(CC(N=Nc2nc(C)cc(=O)[n-]2)C(C)C)cc1	ZINC000741452001	572498810	/nfs/dbraw/zinc/49/88/10/572498810.db2.gz	ZXFFTZKZBNGAMN-UHFFFAOYSA-N	-1	0	298.390	3.466	20	30		CGEDRM
C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccs1	ZINC000736662927	572803563	/nfs/dbraw/zinc/80/35/63/572803563.db2.gz	VBDVVPOWSDGZGL-IINYFYTJSA-N	-1	0	286.356	3.096	20	30		CGEDRM
C=CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C(C)C	ZINC000746219531	572861983	/nfs/dbraw/zinc/86/19/83/572861983.db2.gz	UTGSAFVMCXFAKW-UHFFFAOYSA-N	-1	0	276.361	3.153	20	30		CGEDRM
CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1(C)C	ZINC000748003021	572957183	/nfs/dbraw/zinc/95/71/83/572957183.db2.gz	XOOLNABMJCLQEI-WFASDCNBSA-N	-1	0	284.359	3.441	20	30		CGEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCCC1	ZINC000749544933	573018775	/nfs/dbraw/zinc/01/87/75/573018775.db2.gz	QRVOFGVPABQZAE-SNVBAGLBSA-N	-1	0	258.321	3.029	20	30		CGEDRM
CCCCCCCCC(=O)N(C)C(C)(C)C(=O)[O-]	ZINC000108233703	599826702	/nfs/dbraw/zinc/82/67/02/599826702.db2.gz	YZUPTGNIKLFHRG-UHFFFAOYSA-N	-1	0	257.374	3.059	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000059214911	596932044	/nfs/dbraw/zinc/93/20/44/596932044.db2.gz	HIHJCDHKCDLCSA-UHFFFAOYSA-N	-1	0	269.385	3.060	20	30		CGEDRM
CC(C)[C@@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000062723803	597140423	/nfs/dbraw/zinc/14/04/23/597140423.db2.gz	IYOROVUUBDRIMS-GFHWABCWSA-N	-1	0	271.316	3.074	20	30		CGEDRM
CC(C)[C@@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000817926065	597141031	/nfs/dbraw/zinc/14/10/31/597141031.db2.gz	IYOROVUUBDRIMS-GESOSKEOSA-N	-1	0	271.316	3.074	20	30		CGEDRM
Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1C(=O)[O-]	ZINC000044767468	599914223	/nfs/dbraw/zinc/91/42/23/599914223.db2.gz	BANCCESBOLIOKC-UHFFFAOYSA-N	-1	0	286.331	3.106	20	30		CGEDRM
N#Cc1ccc2c(c1)CC/C(=C\c1ccoc1C(=O)[O-])C2=O	ZINC000833074086	600830336	/nfs/dbraw/zinc/83/03/36/600830336.db2.gz	OEXFXKBJDFCISY-XYOKQWHBSA-N	-1	0	293.278	3.062	20	30		CGEDRM
CCOc1ccc(O)c(C=Nc2ccccc2CC(=O)[O-])c1	ZINC000818244781	601365203	/nfs/dbraw/zinc/36/52/03/601365203.db2.gz	MQRDFOBNVGHDTO-UHFFFAOYSA-N	-1	0	299.326	3.169	20	30		CGEDRM
CCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000830059935	601445046	/nfs/dbraw/zinc/44/50/46/601445046.db2.gz	TXIXCNPPXGODHI-POHAHGRESA-N	-1	0	285.299	3.008	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)o1	ZINC000833095823	601763859	/nfs/dbraw/zinc/76/38/59/601763859.db2.gz	ZPFCEDZMOYFCBP-HNQUOIGGSA-N	-1	0	278.210	3.152	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cccc(Cl)c2)c[nH]1	ZINC000833093499	601791592	/nfs/dbraw/zinc/79/15/92/601791592.db2.gz	YTYGXGKUALYGFF-PLNGDYQASA-N	-1	0	275.691	3.262	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c(C)s1	ZINC000832859498	601792281	/nfs/dbraw/zinc/79/22/81/601792281.db2.gz	RKFRXGWPIHVECP-ONEGZZNKSA-N	-1	0	275.329	3.287	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(F)c(Cl)c2)c[nH]1	ZINC000833092974	601792569	/nfs/dbraw/zinc/79/25/69/601792569.db2.gz	QGTLGOQCAOAEMF-RJRFIUFISA-N	-1	0	293.681	3.402	20	30		CGEDRM
Cc1cc(F)ccc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1	ZINC000832890255	601793128	/nfs/dbraw/zinc/79/31/28/601793128.db2.gz	TVSPMCWKNNPXBG-DJWKRKHSSA-N	-1	0	273.263	3.057	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000825664960	602283455	/nfs/dbraw/zinc/28/34/55/602283455.db2.gz	RMAVJJCXMKUVJT-UHFFFAOYSA-N	-1	0	292.306	3.336	20	30		CGEDRM
Cc1cc(C)c(N=NCC2CCN(C(=O)[O-])CC2)c(C)c1	ZINC000829991234	603860280	/nfs/dbraw/zinc/86/02/80/603860280.db2.gz	PPMYKEPZOFZIPY-UHFFFAOYSA-N	-1	0	289.379	3.400	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2cccc(C)c2Cl)c1=O	ZINC000899361874	620667384	/nfs/dbraw/zinc/66/73/84/620667384.db2.gz	FDWZKUHUZNYAKM-LLVKDONJSA-N	-1	0	260.724	3.010	20	30		CGEDRM
N#Cc1csc(CNc2cccc3c2CCN3C(=O)[O-])c1	ZINC000831161809	604021493	/nfs/dbraw/zinc/02/14/93/604021493.db2.gz	MUQBGHWBBGREOA-UHFFFAOYSA-N	-1	0	299.355	3.272	20	30		CGEDRM
C=CCCCSCc1cccc(C(=O)[O-])c1C#N	ZINC000833373984	604536975	/nfs/dbraw/zinc/53/69/75/604536975.db2.gz	MEHMNILLXXXAHO-UHFFFAOYSA-N	-1	0	261.346	3.456	20	30		CGEDRM
C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc21	ZINC000833631052	604604521	/nfs/dbraw/zinc/60/45/21/604604521.db2.gz	ZMICSKWIGWGZGU-LBPRGKRZSA-N	-1	0	292.338	3.380	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1	ZINC000225174574	604626097	/nfs/dbraw/zinc/62/60/97/604626097.db2.gz	UMYOFASZZCEFBO-MDZDMXLPSA-N	-1	0	297.266	3.189	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C2/COc3ccc(F)cc32)cc1	ZINC000833310411	604628183	/nfs/dbraw/zinc/62/81/83/604628183.db2.gz	PIQKFJUMRIOQHC-GHXNOFRVSA-N	-1	0	298.269	3.183	20	30		CGEDRM
Cc1cc(C)cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763372076	604669100	/nfs/dbraw/zinc/66/91/00/604669100.db2.gz	QLKSIEAKTNKKJK-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(C)c1	ZINC000763376661	604669109	/nfs/dbraw/zinc/66/91/09/604669109.db2.gz	FTZVXDUCILIBFN-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
Cc1ccc(F)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763368843	605026007	/nfs/dbraw/zinc/02/60/07/605026007.db2.gz	AXLXTCZVFKVMPE-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1ccc(N)cc1C	ZINC000758098731	605097928	/nfs/dbraw/zinc/09/79/28/605097928.db2.gz	FPQAKCGSHVIGMY-UHFFFAOYSA-N	-1	0	283.331	3.112	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(C#N)cc1	ZINC000812442438	605100904	/nfs/dbraw/zinc/10/09/04/605100904.db2.gz	BUVZPXUOEJRGCR-UHFFFAOYSA-N	-1	0	279.299	3.093	20	30		CGEDRM
Cc1cccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1	ZINC000833752101	605147467	/nfs/dbraw/zinc/14/74/67/605147467.db2.gz	KMGHQKNDOKXFNE-YFHOEESVSA-N	-1	0	296.322	3.355	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccco1	ZINC000833386714	605156072	/nfs/dbraw/zinc/15/60/72/605156072.db2.gz	VBALEUVPVUMMQU-UHFFFAOYSA-N	-1	0	278.695	3.467	20	30		CGEDRM
CC(C)(C)CN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833422833	605158894	/nfs/dbraw/zinc/15/88/94/605158894.db2.gz	NXGNKOFWLHMDKF-UHFFFAOYSA-N	-1	0	254.717	3.482	20	30		CGEDRM
CN(Cc1ccccc1NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000828399958	605246310	/nfs/dbraw/zinc/24/63/10/605246310.db2.gz	KUEQAHYUFBZZCI-UHFFFAOYSA-N	-1	0	295.342	3.280	20	30		CGEDRM
N#Cc1ccc(CNc2ccc3c(c2)CCCN3C(=O)[O-])o1	ZINC000831127032	605253548	/nfs/dbraw/zinc/25/35/48/605253548.db2.gz	ZUNYBRFTKKXTJK-UHFFFAOYSA-N	-1	0	297.314	3.194	20	30		CGEDRM
N#CCc1ccc(COc2cccc(CNC(=O)[O-])c2)cc1	ZINC000833968722	605331943	/nfs/dbraw/zinc/33/19/43/605331943.db2.gz	WFIQVRSBBGJFPR-UHFFFAOYSA-N	-1	0	296.326	3.099	20	30		CGEDRM
C[C@]1(C#N)CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1	ZINC000833552007	605417332	/nfs/dbraw/zinc/41/73/32/605417332.db2.gz	XZLTUMJPXNUNMJ-UKRRQHHQSA-N	-1	0	292.766	3.091	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C#N)c(F)c1	ZINC000776758290	605593322	/nfs/dbraw/zinc/59/33/22/605593322.db2.gz	KUDJCGKTUSKCML-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
CN(Cc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])ccc1F	ZINC000833696772	605830800	/nfs/dbraw/zinc/83/08/00/605830800.db2.gz	RTHOPBMGFQOJAR-UHFFFAOYSA-N	-1	0	298.317	3.028	20	30		CGEDRM
Cc1cc(F)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254956261	617691214	/nfs/dbraw/zinc/69/12/14/617691214.db2.gz	NXVAOTYXKOCLRH-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c(F)c1	ZINC000806558817	617719653	/nfs/dbraw/zinc/71/96/53/617719653.db2.gz	MSZDNMUNRYUPPF-VOTSOKGWSA-N	-1	0	295.269	3.292	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccs2)n1	ZINC000255195773	618056855	/nfs/dbraw/zinc/05/68/55/618056855.db2.gz	ZONZOBLNALJRRH-DOGVGXBMSA-N	-1	0	274.370	3.403	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1cc(F)ccc1C)C(=O)[O-]	ZINC000900323213	620780984	/nfs/dbraw/zinc/78/09/84/620780984.db2.gz	XDFHHYYKVDQUEX-LBPRGKRZSA-N	-1	0	294.326	3.065	20	30		CGEDRM
N#Cc1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)s1	ZINC000255556488	618670239	/nfs/dbraw/zinc/67/02/39/618670239.db2.gz	TZYQHANNMYIGEV-CIIODKQPSA-N	-1	0	288.353	3.344	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2F)c1	ZINC000255584553	618734296	/nfs/dbraw/zinc/73/42/96/618734296.db2.gz	HACFCEQYBWEYPG-SXGWCWSVSA-N	-1	0	274.251	3.059	20	30		CGEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])sc1C	ZINC000176819566	618740487	/nfs/dbraw/zinc/74/04/87/618740487.db2.gz	KGNCDHOLCFBVNT-UHFFFAOYSA-N	-1	0	272.329	3.195	20	30		CGEDRM
CS[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179738811	618800041	/nfs/dbraw/zinc/80/00/41/618800041.db2.gz	HXOKXOVGPYYHNG-HNNXBMFYSA-N	-1	0	298.367	3.307	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1C	ZINC000909369125	619188539	/nfs/dbraw/zinc/18/85/39/619188539.db2.gz	ACOGLSIZZAGKED-CQSZACIVSA-N	-1	0	289.375	3.229	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000313949533	619203359	/nfs/dbraw/zinc/20/33/59/619203359.db2.gz	JTDAEINYMMDKBC-UONOGXRCSA-N	-1	0	298.427	3.099	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000048519078	619503576	/nfs/dbraw/zinc/50/35/76/619503576.db2.gz	AGIHOYCQGMGKRB-UHFFFAOYSA-N	-1	0	295.282	3.151	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909518585	619810532	/nfs/dbraw/zinc/81/05/32/619810532.db2.gz	BWIIFPUJHOKVLB-PXAZEXFGSA-N	-1	0	289.375	3.491	20	30		CGEDRM
Cc1cc(C)c(C(=O)/C=C\c2nccs2)c(O)c1	ZINC000799894790	620309124	/nfs/dbraw/zinc/30/91/24/620309124.db2.gz	FLVNLGQQTUDSQB-ARJAWSKDSA-N	-1	0	259.330	3.362	20	30		CGEDRM
CS[C@H]1CCCC(N=Nc2cccc(C(=O)[O-])c2)C1	ZINC000901122494	620834013	/nfs/dbraw/zinc/83/40/13/620834013.db2.gz	DGVZDFOHJWKEDV-ZDUSSCGKSA-N	-1	0	278.377	3.458	20	30		CGEDRM
CC#CC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-]	ZINC000904059162	621861079	/nfs/dbraw/zinc/86/10/79/621861079.db2.gz	SUYGVOGMMCLDPL-INIZCTEOSA-N	-1	0	297.354	3.211	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000907572348	622301520	/nfs/dbraw/zinc/30/15/20/622301520.db2.gz	GWPUUASONHNAKB-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC1(CC(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)CCCCC1	ZINC000907735944	622310067	/nfs/dbraw/zinc/31/00/67/622310067.db2.gz	BCPCFPBMWHSDMM-CZUORRHYSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000909097026	622391408	/nfs/dbraw/zinc/39/14/08/622391408.db2.gz	MGHAMJRPZCSFIT-JXMNSVBMSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000909096891	622391684	/nfs/dbraw/zinc/39/16/84/622391684.db2.gz	BLMYTWPUQUSJLM-JXMROGBWSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)C1	ZINC000909830812	622426864	/nfs/dbraw/zinc/42/68/64/622426864.db2.gz	AAIFQYLTMULJQY-NSHDSACASA-N	-1	0	273.332	3.170	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000910121476	622463977	/nfs/dbraw/zinc/46/39/77/622463977.db2.gz	VJBXXZNLAPQGTC-INIZCTEOSA-N	-1	0	279.380	3.001	20	30		CGEDRM
C=CC(C)(C)CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000910360398	622477806	/nfs/dbraw/zinc/47/78/06/622477806.db2.gz	AAHFATGDWNCEAP-GFCCVEGCSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C1CCC(CNC(=O)CC2CCC(C(=O)[O-])CC2)CC1	ZINC000910990171	622514066	/nfs/dbraw/zinc/51/40/66/622514066.db2.gz	IFHCHOPVYWRRBP-UHFFFAOYSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C[C@H]1CC[C@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000150951295	622706382	/nfs/dbraw/zinc/70/63/82/622706382.db2.gz	OCWKVLBUMIVFLX-QWRGUYRKSA-N	-1	0	258.321	3.029	20	30		CGEDRM
COc1ccc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000156688932	622835007	/nfs/dbraw/zinc/83/50/07/622835007.db2.gz	SLSUVRDXKBDDDE-XBXARRHUSA-N	-1	0	299.282	3.205	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NOC1CCCCC1	ZINC000814909344	623534037	/nfs/dbraw/zinc/53/40/37/623534037.db2.gz	HUBCNXBCYWDYCJ-WDEREUQCSA-N	-1	0	253.342	3.213	20	30		CGEDRM
N#CC(=C([O-])c1ccc(Cl)nc1)c1nc2ccccc2o1	ZINC000915104847	623896190	/nfs/dbraw/zinc/89/61/90/623896190.db2.gz	NHMKLGIJAPHALA-SNVBAGLBSA-N	-1	0	297.701	3.366	20	30		CGEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)cc1	ZINC000073086802	624067309	/nfs/dbraw/zinc/06/73/09/624067309.db2.gz	VBORTGLPVZTWLN-NSHDSACASA-N	-1	0	299.392	3.023	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000915990792	624095582	/nfs/dbraw/zinc/09/55/82/624095582.db2.gz	QCFYEBNNYXZPKA-JXMROGBWSA-N	-1	0	296.322	3.218	20	30		CGEDRM
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(O)cc1	ZINC000917143860	624246797	/nfs/dbraw/zinc/24/67/97/624246797.db2.gz	VWTJCJHFBAXWRW-BHQIHCQQSA-N	-1	0	275.285	3.258	20	30		CGEDRM
CCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000102008421	634444290	/nfs/dbraw/zinc/44/42/90/634444290.db2.gz	XNWZOFXSPQXPRE-OAHLLOKOSA-N	-1	0	291.391	3.159	20	30		CGEDRM
C#CCCCNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000751069152	626375790	/nfs/dbraw/zinc/37/57/90/626375790.db2.gz	BMTYAZBIKOEUOZ-UHFFFAOYSA-N	-1	0	287.746	3.342	20	30		CGEDRM
O=C([O-])c1csc(C=NNc2cccc3ncccc32)c1	ZINC000755650705	626633624	/nfs/dbraw/zinc/63/36/24/626633624.db2.gz	FGFRKRDELKPHGG-UHFFFAOYSA-N	-1	0	297.339	3.441	20	30		CGEDRM
C#CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000756845726	626737466	/nfs/dbraw/zinc/73/74/66/626737466.db2.gz	GKXBFJFFNFISKO-JIHKLPAASA-N	-1	0	294.310	3.484	20	30		CGEDRM
O=C(/C=C1/COc2ccc(F)cc21)c1cc(F)ccc1[O-]	ZINC000757467328	626780997	/nfs/dbraw/zinc/78/09/97/626780997.db2.gz	DJKLCPBDQQGVPQ-UITAMQMPSA-N	-1	0	288.249	3.329	20	30		CGEDRM
CCc1ccc(CCCN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000758130533	626829364	/nfs/dbraw/zinc/82/93/64/626829364.db2.gz	WYGOSIRTEQOZLF-UHFFFAOYSA-N	-1	0	297.358	3.373	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2(c3ccccc3F)CC2)c1	ZINC000759714238	626917890	/nfs/dbraw/zinc/91/78/90/626917890.db2.gz	YDMTUHMSOHWVHU-UHFFFAOYSA-N	-1	0	296.301	3.073	20	30		CGEDRM
Cc1oc2ccccc2c1C=NNc1ccc(C(=O)[O-])cn1	ZINC000763369611	627154257	/nfs/dbraw/zinc/15/42/57/627154257.db2.gz	YNIVJLCJRCLTCB-UHFFFAOYSA-N	-1	0	295.298	3.280	20	30		CGEDRM
CC(CC1CCCC1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763370549	627154357	/nfs/dbraw/zinc/15/43/57/627154357.db2.gz	RBFGCCVODWBZPA-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1	ZINC000763368944	627154376	/nfs/dbraw/zinc/15/43/76/627154376.db2.gz	QVRKCQJQKQRHEO-UHFFFAOYSA-N	-1	0	287.294	3.145	20	30		CGEDRM
C[C@@H]1CC(C)(C)CC1=NNc1cnnc([O-])c1Cl	ZINC000766003265	627285820	/nfs/dbraw/zinc/28/58/20/627285820.db2.gz	VSCMAVSUKBBIRQ-SSDOTTSWSA-N	-1	0	268.748	3.060	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@H](c3ccccc3)C2(C)C)n1	ZINC000768487697	627481872	/nfs/dbraw/zinc/48/18/72/627481872.db2.gz	ZFNWSHUMOGBPNU-CYBMUJFWSA-N	-1	0	296.374	3.472	20	30		CGEDRM
N#CC(=C([O-])C=C1CCSCC1)c1nc2ccccc2o1	ZINC000772649151	627810844	/nfs/dbraw/zinc/81/08/44/627810844.db2.gz	BVUWFTIVMBXUED-GFCCVEGCSA-N	-1	0	298.367	3.457	20	30		CGEDRM
CC(=NNc1ccc(F)cc1C)c1ccc(C(=O)[O-])o1	ZINC000773069654	627850139	/nfs/dbraw/zinc/85/01/39/627850139.db2.gz	VPPKHIZZVWEYJU-UHFFFAOYSA-N	-1	0	276.267	3.261	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccs2)c1	ZINC000774103606	627944898	/nfs/dbraw/zinc/94/48/98/627944898.db2.gz	GHSXIIUABDTDIP-SREVYHEPSA-N	-1	0	258.298	3.342	20	30		CGEDRM
C=CCCOCC(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000776619798	628223622	/nfs/dbraw/zinc/22/36/22/628223622.db2.gz	UCUVTKDLBOEPOB-UHFFFAOYSA-N	-1	0	299.326	3.069	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1ccc(CC(=O)[O-])cc1	ZINC000777464684	628274352	/nfs/dbraw/zinc/27/43/52/628274352.db2.gz	ZZAREEVTKSQSMU-UHFFFAOYSA-N	-1	0	289.253	3.007	20	30		CGEDRM
O=C(/C=C\c1ccc(F)nc1)c1ccc([O-])c(Cl)c1	ZINC000777468099	628275127	/nfs/dbraw/zinc/27/51/27/628275127.db2.gz	OUDNLLRIYAOOOU-RJRFIUFISA-N	-1	0	277.682	3.476	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(F)nc2C)c([O-])c1	ZINC000782341496	628640693	/nfs/dbraw/zinc/64/06/93/628640693.db2.gz	KTHRQGGDQOXLAA-XVNBXDOJSA-N	-1	0	287.290	3.139	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCCCS2)c1	ZINC000783681314	628738688	/nfs/dbraw/zinc/73/86/88/628738688.db2.gz	CFIIFSSILAVTQP-QENILXLESA-N	-1	0	280.349	3.005	20	30		CGEDRM
O=C([O-])c1ccc(C=NNC2CCCCC2)c(Cl)c1	ZINC000786042967	628910676	/nfs/dbraw/zinc/91/06/76/628910676.db2.gz	DRDCXYYDUQYKDT-UHFFFAOYSA-N	-1	0	280.755	3.294	20	30		CGEDRM
CC[C@@H](NN=C1CCC[C@H]1CCC(C)C)C(=O)[O-]	ZINC000793055740	629405928	/nfs/dbraw/zinc/40/59/28/629405928.db2.gz	BWYOCBSPOIUILY-NWDGAFQWSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@H](NN=C(CCC(C)(C)C)c1cscn1)C(=O)[O-]	ZINC000793054819	629405986	/nfs/dbraw/zinc/40/59/86/629405986.db2.gz	HKTHSZKTJRAWMS-JTQLQIEISA-N	-1	0	297.424	3.126	20	30		CGEDRM
CC[C@H](NN=C/C(C)=C\c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793080426	629408901	/nfs/dbraw/zinc/40/89/01/629408901.db2.gz	YWNBKPCZKFRKAO-LJQAHDHGSA-N	-1	0	280.755	3.182	20	30		CGEDRM
CC[C@@H](NN=C(C)[C@H](C)C1CCCCC1)C(=O)[O-]	ZINC000793081362	629408907	/nfs/dbraw/zinc/40/89/07/629408907.db2.gz	KINRLLCTOMLBDQ-GXFFZTMASA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CC(F)(F)C1	ZINC000863117717	629477583	/nfs/dbraw/zinc/47/75/83/629477583.db2.gz	BOTWEIVIVRLSGA-UHFFFAOYSA-N	-1	0	286.253	3.357	20	30		CGEDRM
Cc1cc(N=NC(C)CCCCCCC(=O)[O-])ccn1	ZINC000863159515	629485394	/nfs/dbraw/zinc/48/53/94/629485394.db2.gz	VERFPAMAHPVUOF-UHFFFAOYSA-N	-1	0	277.368	3.025	20	30		CGEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000806031255	629508366	/nfs/dbraw/zinc/50/83/66/629508366.db2.gz	ZOGGVAVBKCYEAA-UHFFFAOYSA-N	-1	0	289.441	3.126	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccnc(F)c1	ZINC000794721475	629571742	/nfs/dbraw/zinc/57/17/42/629571742.db2.gz	XZHVRYBADCGJKY-OWOJBTEDSA-N	-1	0	279.217	3.101	20	30		CGEDRM
C[C@@H]1CSCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000794854399	629589122	/nfs/dbraw/zinc/58/91/22/629589122.db2.gz	FWILNWZYGOHERG-SSDOTTSWSA-N	-1	0	284.768	3.189	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1cccc(F)n1	ZINC000795007432	629620432	/nfs/dbraw/zinc/62/04/32/629620432.db2.gz	ZJAPFVVYMDSPRM-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC000864176347	629791578	/nfs/dbraw/zinc/79/15/78/629791578.db2.gz	QWBFDDKRSCNUCZ-SOUVJXGZSA-N	-1	0	295.423	3.449	20	30		CGEDRM
C=CCC1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCC1	ZINC000864227360	629799591	/nfs/dbraw/zinc/79/95/91/629799591.db2.gz	XMOCAQHJDORTEE-CYBMUJFWSA-N	-1	0	299.370	3.338	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@H]2CCCS2)c1	ZINC000864347008	629814961	/nfs/dbraw/zinc/81/49/61/629814961.db2.gz	IJPSCBDUWGUIJK-OJLMPMFISA-N	-1	0	280.349	3.005	20	30		CGEDRM
N#CCC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000797397515	629939803	/nfs/dbraw/zinc/93/98/03/629939803.db2.gz	DORQKHHKXFQBDF-FRKPEAEDSA-N	-1	0	293.710	3.067	20	30		CGEDRM
N#Cc1ccc(COC(=O)c2cc([S-])ccc2F)cc1	ZINC000798718554	630092113	/nfs/dbraw/zinc/09/21/13/630092113.db2.gz	DONRLPXDDRDAJR-UHFFFAOYSA-N	-1	0	287.315	3.343	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1coc(C(C)C)n1	ZINC000799462172	630185181	/nfs/dbraw/zinc/18/51/81/630185181.db2.gz	JQWKIHGNSVIYFP-UHFFFAOYSA-N	-1	0	287.319	3.332	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC(F)(F)C2)c1	ZINC000800524099	630290994	/nfs/dbraw/zinc/29/09/94/630290994.db2.gz	ALUPTAAQUYGEBO-JTQLQIEISA-N	-1	0	280.274	3.028	20	30		CGEDRM
Cc1[nH]c(C=NNc2c(C)cc(C)cc2C)cc1C(=O)[O-]	ZINC000800813618	630301330	/nfs/dbraw/zinc/30/13/30/630301330.db2.gz	DGQXLMIPYGIDCU-UHFFFAOYSA-N	-1	0	285.347	3.393	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C=C(CCC)CCC)CC1	ZINC000810983147	630997747	/nfs/dbraw/zinc/99/77/47/630997747.db2.gz	JIPVIZBKFIEPLL-UHFFFAOYSA-N	-1	0	299.436	3.068	20	30		CGEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000127226750	635563510	/nfs/dbraw/zinc/56/35/10/635563510.db2.gz	UWXNDNZJSPZDSP-UHFFFAOYSA-N	-1	0	289.441	3.126	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000811694590	631110799	/nfs/dbraw/zinc/11/07/99/631110799.db2.gz	WYKKINMGRMIPCH-QPJJXVBHSA-N	-1	0	285.249	3.438	20	30		CGEDRM
Cn1cc(C=CC(=O)c2sccc2[O-])c(C(F)F)n1	ZINC000812241696	631231102	/nfs/dbraw/zinc/23/11/02/631231102.db2.gz	IGAVBCXUSYWIHX-IHWYPQMZSA-N	-1	0	284.287	3.021	20	30		CGEDRM
O=C([O-])c1cccc(N=NC=C2COc3ccccc3C2)c1	ZINC000812374940	631242107	/nfs/dbraw/zinc/24/21/07/631242107.db2.gz	OWESKCKSWCOOEC-UHFFFAOYSA-N	-1	0	294.310	3.259	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccc(F)cc2)CCCCC1	ZINC000837044722	634846788	/nfs/dbraw/zinc/84/67/88/634846788.db2.gz	RTKORGVJOIHOPE-UHFFFAOYSA-N	-1	0	277.339	3.261	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCCC2)n1	ZINC000842677546	631447813	/nfs/dbraw/zinc/44/78/13/631447813.db2.gz	CZQQBMWRUGUNGW-ZHRWSRJISA-N	-1	0	260.362	3.374	20	30		CGEDRM
[O-]c1cc(Cl)c(C=NOCC2CC2)cc1Cl	ZINC000814243670	631557547	/nfs/dbraw/zinc/55/75/47/631557547.db2.gz	JBPPZOMTOICFSD-UHFFFAOYSA-N	-1	0	260.120	3.460	20	30		CGEDRM
CC(CC(F)(F)F)N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680884	631620867	/nfs/dbraw/zinc/62/08/67/631620867.db2.gz	MQRSPFTWSCBBJU-UHFFFAOYSA-N	-1	0	260.215	3.125	20	30		CGEDRM
CC(C)c1cnc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000814687228	631623180	/nfs/dbraw/zinc/62/31/80/631623180.db2.gz	CPJBYTSHIJHORX-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
CC(C)[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)CS1	ZINC000814687950	631624366	/nfs/dbraw/zinc/62/43/66/631624366.db2.gz	YLKUFKBGDWFOAV-CYBMUJFWSA-N	-1	0	278.377	3.314	20	30		CGEDRM
C[C@H]1SCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814688893	631624408	/nfs/dbraw/zinc/62/44/08/631624408.db2.gz	OWRXDKJUYZWISV-SSDOTTSWSA-N	-1	0	284.768	3.332	20	30		CGEDRM
COc1cccc(N=NC(C)CC2(C(=O)[O-])CCC2)c1	ZINC000814777773	631637538	/nfs/dbraw/zinc/63/75/38/631637538.db2.gz	WYFIRPLFRQOLDC-UHFFFAOYSA-N	-1	0	276.336	3.128	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814790474	631639415	/nfs/dbraw/zinc/63/94/15/631639415.db2.gz	UKRAODJODUTSFK-UWVGGRQHSA-N	-1	0	264.300	3.114	20	30		CGEDRM
C[C@@H](NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1	ZINC000814814994	631647717	/nfs/dbraw/zinc/64/77/17/631647717.db2.gz	IHIJQMJYBAYXKQ-YRGRVCCFSA-N	-1	0	274.364	3.214	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccnc2ccccc12	ZINC000814841240	631652788	/nfs/dbraw/zinc/65/27/88/631652788.db2.gz	IBZAPHDZGKBMSD-UHFFFAOYSA-N	-1	0	297.358	3.090	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)cn2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814842456	631653941	/nfs/dbraw/zinc/65/39/41/631653941.db2.gz	ISLPZRRYFIYRMY-GXSJLCMTSA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@H]1CC(=NNCc2cccc(Cl)c2)CC[C@H]1C(=O)[O-]	ZINC000814867555	631659139	/nfs/dbraw/zinc/65/91/39/631659139.db2.gz	JTDTYJZRBUDZRW-IINYFYTJSA-N	-1	0	294.782	3.306	20	30		CGEDRM
Cc1ccc(F)c(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814872725	631661066	/nfs/dbraw/zinc/66/10/66/631661066.db2.gz	WSQORJTVAQMRRN-GHMZBOCLSA-N	-1	0	278.327	3.423	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC(C(C)C)C1	ZINC000814887322	631665740	/nfs/dbraw/zinc/66/57/40/631665740.db2.gz	QJLKPLWCXHIIAI-UHFFFAOYSA-N	-1	0	276.336	3.227	20	30		CGEDRM
C[C@H]1C(N=Nc2ccnc(F)c2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814902665	631672450	/nfs/dbraw/zinc/67/24/50/631672450.db2.gz	SJKOPMWTZGITHB-GXSJLCMTSA-N	-1	0	293.342	3.146	20	30		CGEDRM
COc1ccc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])nc1	ZINC000814909078	631676635	/nfs/dbraw/zinc/67/66/35/631676635.db2.gz	HKGRDTICEBPOOR-NSHDSACASA-N	-1	0	293.367	3.159	20	30		CGEDRM
C[C@@H]1CC(=NN[C@@H]2CCCC2(C)C)CC[C@H]1C(=O)[O-]	ZINC000814916809	631679889	/nfs/dbraw/zinc/67/98/89/631679889.db2.gz	FKZXDNMDYURVGK-RAIGVLPGSA-N	-1	0	266.385	3.032	20	30		CGEDRM
C[C@H]1C(N=NCC2CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814933431	631688687	/nfs/dbraw/zinc/68/86/87/631688687.db2.gz	NZQNKRZRJMGYOH-WCQYABFASA-N	-1	0	280.412	3.279	20	30		CGEDRM
C[C@@H](C#N)CN(Cc1cc(Cl)c(F)cc1[O-])C1CC1	ZINC000816519328	632001731	/nfs/dbraw/zinc/00/17/31/632001731.db2.gz	GOFKUKKCVATALU-VIFPVBQESA-N	-1	0	282.746	3.309	20	30		CGEDRM
C=CCN(C/C=C(/C)C(=O)[O-])Cc1ccc(Cl)s1	ZINC000825682432	633374177	/nfs/dbraw/zinc/37/41/77/633374177.db2.gz	ZXXSPBCATVMYEJ-POHAHGRESA-N	-1	0	285.796	3.420	20	30		CGEDRM
CC(C)(C)CC(C)(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000828147764	633573939	/nfs/dbraw/zinc/57/39/39/633573939.db2.gz	FSGSWMFAJUJZPX-UHFFFAOYSA-N	-1	0	274.364	3.431	20	30		CGEDRM
CCC(CC)(CC)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691182	633628119	/nfs/dbraw/zinc/62/81/19/633628119.db2.gz	GIILNAGRUMENSC-UHFFFAOYSA-N	-1	0	260.337	3.185	20	30		CGEDRM
N#CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000123720374	633804935	/nfs/dbraw/zinc/80/49/35/633804935.db2.gz	KWEUMVGCMLECNZ-UHFFFAOYSA-N	-1	0	285.174	3.435	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CCC(F)(F)C1	ZINC000872338554	634110839	/nfs/dbraw/zinc/11/08/39/634110839.db2.gz	SLEHVRZICJBOIG-SECBINFHSA-N	-1	0	268.263	3.218	20	30		CGEDRM
CC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCCC1	ZINC000872387836	634128381	/nfs/dbraw/zinc/12/83/81/634128381.db2.gz	WQPHEOMAVQQFMJ-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000872752771	634202514	/nfs/dbraw/zinc/20/25/14/634202514.db2.gz	PFFNTDXEAUCYOU-CLFYSBASSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=C(C)[C@H]1CCC(C)=C(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835007219	634311793	/nfs/dbraw/zinc/31/17/93/634311793.db2.gz	RDKYRVSIPGSINN-LBPRGKRZSA-N	-1	0	285.347	3.480	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1(C)C	ZINC000835010008	634314242	/nfs/dbraw/zinc/31/42/42/634314242.db2.gz	KQZOFXHUZVQXIQ-CYBMUJFWSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CC[C@H]1C[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010268	634314300	/nfs/dbraw/zinc/31/43/00/634314300.db2.gz	VQQGQTJNHFVYOV-PWSUYJOCSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837578780	634940902	/nfs/dbraw/zinc/94/09/02/634940902.db2.gz	OUDIMIZFKQZKIT-UHFFFAOYSA-N	-1	0	291.303	3.112	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)[C@H]1C[C@H]1C	ZINC000841632415	635202543	/nfs/dbraw/zinc/20/25/43/635202543.db2.gz	NYTIMZPVKOUALA-KOLCDFICSA-N	-1	0	276.336	3.227	20	30		CGEDRM
C[C@@H]1CCCCCC1=NNc1cnnc([O-])c1Cl	ZINC000844573429	635933944	/nfs/dbraw/zinc/93/39/44/635933944.db2.gz	NRTPTYKARWRZDZ-MRVPVSSYSA-N	-1	0	268.748	3.204	20	30		CGEDRM
Cc1c(N=NC2CC[C@H]2C2CC2)cccc1C(=O)[O-]	ZINC000844622249	635944719	/nfs/dbraw/zinc/94/47/19/635944719.db2.gz	BCNSHVMBPMATKJ-LBPRGKRZSA-N	-1	0	258.321	3.281	20	30		CGEDRM
CO[C@H](CN=Nc1cccc(C(=O)[O-])c1C)CC(C)C	ZINC000844624294	635945535	/nfs/dbraw/zinc/94/55/35/635945535.db2.gz	VPQHYPAVPSAUAE-LBPRGKRZSA-N	-1	0	278.352	3.152	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2C2CCCC2)c1	ZINC000845886223	636114396	/nfs/dbraw/zinc/11/43/96/636114396.db2.gz	DGTPUNLXIQGJOS-QWHCGFSZSA-N	-1	0	270.332	3.029	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(F)c2)CCCC1	ZINC000846542623	636197603	/nfs/dbraw/zinc/19/76/03/636197603.db2.gz	AYMQHGKPDSVQQX-GFCCVEGCSA-N	-1	0	277.339	3.260	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccccc2C)CCCC1	ZINC000846552649	636201036	/nfs/dbraw/zinc/20/10/36/636201036.db2.gz	MKYFLSHCBNSLJG-CQSZACIVSA-N	-1	0	273.376	3.429	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2c(F)cccc2F)CCC1	ZINC000846554599	636202003	/nfs/dbraw/zinc/20/20/03/636202003.db2.gz	MKXKFIIIVRELAT-SNVBAGLBSA-N	-1	0	281.302	3.009	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000129540591	636296995	/nfs/dbraw/zinc/29/69/95/636296995.db2.gz	MZAUJIPYHWZOAS-FNORWQNLSA-N	-1	0	294.266	3.068	20	30		CGEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)C1CCCC1	ZINC000848415309	636571529	/nfs/dbraw/zinc/57/15/29/636571529.db2.gz	LPNSDHILYVNJKE-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000085329027	636772339	/nfs/dbraw/zinc/77/23/39/636772339.db2.gz	MXRMUQSPXPUVPJ-PWSUYJOCSA-N	-1	0	298.264	3.242	20	30		CGEDRM
C=C(C)CNC(=S)[N-]c1cccc(F)c1SC	ZINC000849271168	636793500	/nfs/dbraw/zinc/79/35/00/636793500.db2.gz	BXFPXOQEDLOENR-UHFFFAOYSA-N	-1	0	270.398	3.410	20	30		CGEDRM
C[C@@]1(C/N=C/c2cc(Cl)ccc2O)CCCO1	ZINC000132417171	636807355	/nfs/dbraw/zinc/80/73/55/636807355.db2.gz	GQEIPWQCAPCLSM-LIOBOASVSA-N	-1	0	253.729	3.034	20	30		CGEDRM
CCSC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000852999061	637728879	/nfs/dbraw/zinc/72/88/79/637728879.db2.gz	VAPVSYSTPBXTOM-RIYZIHGNSA-N	-1	0	280.349	3.005	20	30		CGEDRM
CC[C@H](NN=Cc1cccc(C2CCCC2)c1)C(=O)[O-]	ZINC000853348193	637819915	/nfs/dbraw/zinc/81/99/15/637819915.db2.gz	COAZVJPUIRUXCZ-HNNXBMFYSA-N	-1	0	274.364	3.131	20	30		CGEDRM
C=C[C@@H](C)ON=C(C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853369861	637826693	/nfs/dbraw/zinc/82/66/93/637826693.db2.gz	VKSTXMFNNOEQKP-LLVKDONJSA-N	-1	0	291.347	3.487	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(Cl)cn2)CC[C@@H]1CC(=O)[O-]	ZINC000853436500	637841283	/nfs/dbraw/zinc/84/12/83/637841283.db2.gz	YFZUVYQKLGOAHJ-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccccc2Cl)CCC1	ZINC000856027698	638285767	/nfs/dbraw/zinc/28/57/67/638285767.db2.gz	XFXCGXLAFUXDBB-UHFFFAOYSA-N	-1	0	279.767	3.386	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccs2)n1	ZINC000047358386	640011506	/nfs/dbraw/zinc/01/15/06/640011506.db2.gz	ZONZOBLNALJRRH-SGUJLRQBSA-N	-1	0	274.370	3.403	20	30		CGEDRM
CCCCCCCCNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000159132904	640031521	/nfs/dbraw/zinc/03/15/21/640031521.db2.gz	AINPXGZSZZFKKW-UHFFFAOYSA-N	-1	0	283.412	3.498	20	30		CGEDRM
CCCSCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518397	640056941	/nfs/dbraw/zinc/05/69/41/640056941.db2.gz	SVAHNOXHNRDOIV-CSKARUKUSA-N	-1	0	299.417	3.087	20	30		CGEDRM
CCCCCC[C@@](C)(CC)C(=O)[N-]S(C)(=O)=O	ZINC000076758332	640212485	/nfs/dbraw/zinc/21/24/85/640212485.db2.gz	NHOSBVOWHZXVGU-GFCCVEGCSA-N	-1	0	263.403	3.289	20	30		CGEDRM
Cc1ccc2ncc(C=CC(=O)c3sccc3[O-])n2c1	ZINC000193148169	640435478	/nfs/dbraw/zinc/43/54/78/640435478.db2.gz	FUMKTKBQRLMSAK-ONEGZZNKSA-N	-1	0	284.340	3.306	20	30		CGEDRM
CCCCCCCC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000088211732	640615325	/nfs/dbraw/zinc/61/53/25/640615325.db2.gz	CMNFQDBVJINLNY-UHFFFAOYSA-N	-1	0	293.363	3.449	20	30		CGEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000088799473	640623334	/nfs/dbraw/zinc/62/33/34/640623334.db2.gz	KMHJMAUGXGWDRB-UHFFFAOYSA-N	-1	0	285.752	3.096	20	30		CGEDRM
Cc1ccsc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000254484681	640911874	/nfs/dbraw/zinc/91/18/74/640911874.db2.gz	XEZRVVOHNWTUAE-UHFFFAOYSA-N	-1	0	290.373	3.453	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)cc1	ZINC001250587652	805710058	/nfs/dbraw/zinc/71/00/58/805710058.db2.gz	XYGSWBMXJNRXEZ-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
Cc1ccc(-c2cc(C#N)ccc2F)cc1C(=O)[O-]	ZINC001250634150	805739556	/nfs/dbraw/zinc/73/95/56/805739556.db2.gz	MRPQYIJAZDIITF-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cccs2)c1C#N	ZINC001250928533	805802082	/nfs/dbraw/zinc/80/20/82/805802082.db2.gz	BJRSHPJXHNCEGP-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cn1c(-c2cc(C#N)ccc2[O-])nc2cccc(Cl)c21	ZINC001251180169	805859466	/nfs/dbraw/zinc/85/94/66/805859466.db2.gz	GWPQJYCXBUCEHP-UHFFFAOYSA-N	-1	0	283.718	3.471	20	30		CGEDRM
CC(=O)c1ccc2[nH]c(-c3cc(C#N)ccc3[O-])nc2c1	ZINC001251180127	805859680	/nfs/dbraw/zinc/85/96/80/805859680.db2.gz	CSXQFZQBAKYROD-UHFFFAOYSA-N	-1	0	277.283	3.010	20	30		CGEDRM
CCCCCCCCCC(=O)N[C@H](C)c1nn(C)cc1[O-]	ZINC001158297158	805934786	/nfs/dbraw/zinc/93/47/86/805934786.db2.gz	VRELXLGMZXFGOA-CYBMUJFWSA-N	-1	0	295.427	3.444	20	30		CGEDRM
Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)c(C#N)c1	ZINC001253032574	806155775	/nfs/dbraw/zinc/15/57/75/806155775.db2.gz	KSEPKKOSAKCYID-MDZDMXLPSA-N	-1	0	298.367	3.279	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000046929786	798891376	/nfs/dbraw/zinc/89/13/76/798891376.db2.gz	RVYYVYZJFZFGCH-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
C=CCC[C@H](NC(=O)Nc1cccc(Cl)c1C)C(=O)[O-]	ZINC000316526400	799242536	/nfs/dbraw/zinc/24/25/36/799242536.db2.gz	VUVHPACSWGSRDW-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C#C[C@@H](OCc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000378660669	799342796	/nfs/dbraw/zinc/34/27/96/799342796.db2.gz	GVIQOZCMULQUFE-MRXNPFEDSA-N	-1	0	266.296	3.276	20	30		CGEDRM
C=CCCCCCCN=c1nc(C2CC2)[n-]s1	ZINC000384165580	799412810	/nfs/dbraw/zinc/41/28/10/799412810.db2.gz	UXKKTKGYXGTZHE-UHFFFAOYSA-N	-1	0	251.399	3.386	20	30		CGEDRM
C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC001256493859	806906219	/nfs/dbraw/zinc/90/62/19/806906219.db2.gz	ZZSVINWCCLCOPF-UHFFFAOYSA-N	-1	0	297.788	3.184	20	30		CGEDRM
C[C@@H]1CC(=NNCc2ccccc2Cl)CC[C@@H]1C(=O)[O-]	ZINC001117742465	802484780	/nfs/dbraw/zinc/48/47/80/802484780.db2.gz	REHKWQHPQHWSEM-MFKMUULPSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C=CCSCC(=O)Nc1ccc2[n-]c(=S)sc2c1	ZINC001180560416	810010336	/nfs/dbraw/zinc/01/03/36/810010336.db2.gz	KUPCNBZFFXIIHX-UHFFFAOYSA-N	-1	0	296.442	3.443	20	30		CGEDRM
C=C(C)CCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC001123380201	802939493	/nfs/dbraw/zinc/93/94/93/802939493.db2.gz	NQVGUFVQJIZVRP-LBPRGKRZSA-N	-1	0	275.348	3.245	20	30		CGEDRM
COc1ccc(-c2ccccc2C=NO)c(C#N)c1	ZINC001243732834	802972435	/nfs/dbraw/zinc/97/24/35/802972435.db2.gz	ZAACKNKUYCGAQH-UHFFFAOYSA-N	-1	0	252.273	3.042	20	30		CGEDRM
N#Cc1ccccc1NC(=O)c1cccc(Cl)c1[O-]	ZINC001124260783	803007403	/nfs/dbraw/zinc/00/74/03/803007403.db2.gz	XDNLLUZGNFLCFG-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(OCCC#N)cc2)c1	ZINC001244177803	803228078	/nfs/dbraw/zinc/22/80/78/803228078.db2.gz	LNWNXIHGIBVCMX-UHFFFAOYSA-N	-1	0	297.310	3.353	20	30		CGEDRM
N#CCc1ccc(-c2ccc(CCC(=O)[O-])cc2)cc1	ZINC001244188175	803233465	/nfs/dbraw/zinc/23/34/65/803233465.db2.gz	ZYZDOCAISOGODJ-UHFFFAOYSA-N	-1	0	265.312	3.437	20	30		CGEDRM
N#Cc1cccnc1-c1cc(OC(F)(F)F)ccc1[O-]	ZINC001244455044	803377474	/nfs/dbraw/zinc/37/74/74/803377474.db2.gz	FZNFNQISNHBNBD-UHFFFAOYSA-N	-1	0	280.205	3.224	20	30		CGEDRM
Cc1ccc(-c2nc[n-]c3nc(=S)sc2-3)cc1C#N	ZINC001244483187	803393885	/nfs/dbraw/zinc/39/38/85/803393885.db2.gz	YERDLPWTCYBIEU-UHFFFAOYSA-N	-1	0	284.369	3.222	20	30		CGEDRM
N#Cc1cnc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)cn1	ZINC001244514221	803412715	/nfs/dbraw/zinc/41/27/15/803412715.db2.gz	YNABIBKXFMGEHE-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1cnnc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)c1	ZINC001244514351	803413791	/nfs/dbraw/zinc/41/37/91/803413791.db2.gz	APENBYWTWQNEFP-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001244610043	803463451	/nfs/dbraw/zinc/46/34/51/803463451.db2.gz	GIOQGLAVGDRXCS-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
Cc1ccnc(-c2cc(C(=O)[O-])c(Cl)cc2F)c1C#N	ZINC001244611028	803464353	/nfs/dbraw/zinc/46/43/53/803464353.db2.gz	YZXDWNBMDFNFQG-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1cc(-c2ccc(Cl)c([O-])c2F)ncc1C#N	ZINC001244631385	803473738	/nfs/dbraw/zinc/47/37/38/803473738.db2.gz	XKLBEQXMKXUYEY-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cc(-c2ccc(Cl)c([O-])c2F)cnc1F	ZINC001244631947	803474808	/nfs/dbraw/zinc/47/48/08/803474808.db2.gz	BJEHINIFBIHYIV-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(-c2cc(C(=O)[O-])cnc2F)n1	ZINC001244759937	803522411	/nfs/dbraw/zinc/52/24/11/803522411.db2.gz	XQSXVUJBIHJAAA-UHFFFAOYSA-N	-1	0	299.305	3.150	20	30		CGEDRM
Cc1cc(-c2ccc3ncc(C#N)n3c2)cc(C)c1C(=O)[O-]	ZINC001244947347	803587277	/nfs/dbraw/zinc/58/72/77/803587277.db2.gz	VWOSENOKZSAJIP-UHFFFAOYSA-N	-1	0	291.310	3.188	20	30		CGEDRM
CCc1cc(-c2ccccc2S(=O)(=O)[O-])ccc1C#N	ZINC001244951861	803589563	/nfs/dbraw/zinc/58/95/63/803589563.db2.gz	HZMFOZNGXSVAEK-UHFFFAOYSA-N	-1	0	287.340	3.034	20	30		CGEDRM
N#Cc1nccnc1-c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001244999556	803609192	/nfs/dbraw/zinc/60/91/92/803609192.db2.gz	YLHAYQPXAIBWDB-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(Cl)ccc1[O-])CCOC2	ZINC001245050361	803621926	/nfs/dbraw/zinc/62/19/26/803621926.db2.gz	SRHVNODJFNHDDU-UHFFFAOYSA-N	-1	0	286.718	3.052	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(Cl)ccc1[O-]	ZINC001245051526	803623191	/nfs/dbraw/zinc/62/31/91/803623191.db2.gz	ALHNYYPTJMLZRJ-UHFFFAOYSA-N	-1	0	269.691	3.412	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cccc(C(=O)[O-])c2C)n1	ZINC001245296541	803693300	/nfs/dbraw/zinc/69/33/00/803693300.db2.gz	GJPOIBHUCZQXPO-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2cccc(C(=O)[O-])c2C)c1	ZINC001245301897	803696040	/nfs/dbraw/zinc/69/60/40/803696040.db2.gz	YRVDJNHSPWAYIY-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
N#CCc1cc(-c2cc(CC(=O)[O-])ccc2F)ccc1F	ZINC001245319335	803699966	/nfs/dbraw/zinc/69/99/66/803699966.db2.gz	XPJINIGVZPKTAY-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(F)cc3ccoc32)c1	ZINC001137934462	803803257	/nfs/dbraw/zinc/80/32/57/803803257.db2.gz	YRNVVVDKUYXSFS-UHFFFAOYSA-N	-1	0	296.257	3.401	20	30		CGEDRM
C=CCOc1ccc(-c2c([O-])cccc2F)nc1C#N	ZINC001245653436	803884167	/nfs/dbraw/zinc/88/41/67/803884167.db2.gz	HHGHXAGMPWWHGX-UHFFFAOYSA-N	-1	0	270.263	3.030	20	30		CGEDRM
CC(=O)Oc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001212082340	814974220	/nfs/dbraw/zinc/97/42/20/814974220.db2.gz	XQZNPGIYWYWADC-UHFFFAOYSA-N	-1	0	286.262	3.072	20	30		CGEDRM
N#Cc1c(F)cncc1-c1cc(Cl)c([O-])cc1F	ZINC001245672519	803902664	/nfs/dbraw/zinc/90/26/64/803902664.db2.gz	VJBJYXJRNQQZLV-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3cccnc3Cl)[n-]2)cc1	ZINC001245932234	804061749	/nfs/dbraw/zinc/06/17/49/804061749.db2.gz	DVARMLMWJWWOGW-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
C[C@H]1CCC[C@H]1n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC001245936724	804067950	/nfs/dbraw/zinc/06/79/50/804067950.db2.gz	FBVBFUVXFGZIMY-XHDPSFHLSA-N	-1	0	267.332	3.488	20	30		CGEDRM
Cc1ccc(-c2cc(=O)n(-c3ccc(C#N)cc3)[n-]2)s1	ZINC001245946583	804080121	/nfs/dbraw/zinc/08/01/21/804080121.db2.gz	JEIPIIWKEIMKGU-UHFFFAOYSA-N	-1	0	281.340	3.487	20	30		CGEDRM
CCCCN(CC#N)Cc1ccc(Cl)cc1C(=O)[O-]	ZINC001142663697	804751043	/nfs/dbraw/zinc/75/10/43/804751043.db2.gz	RBOWUZFCJLXQLV-UHFFFAOYSA-N	-1	0	280.755	3.164	20	30		CGEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1F	ZINC001212513260	815044950	/nfs/dbraw/zinc/04/49/50/815044950.db2.gz	IFUSCPHODLEZNH-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249957481	805324105	/nfs/dbraw/zinc/32/41/05/805324105.db2.gz	ASSIKURWMYUJRB-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249960389	805327464	/nfs/dbraw/zinc/32/74/64/805327464.db2.gz	FNCKAEKTNTXRDN-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1cc([O-])c(F)c(F)c1F	ZINC001249965988	805331967	/nfs/dbraw/zinc/33/19/67/805331967.db2.gz	VYUXXVPBFFTYQV-UHFFFAOYSA-N	-1	0	279.221	3.007	20	30		CGEDRM
CCCCCCCCC[C@H](C)[NH2+]CCOP(=O)([O-])[O-]	ZINC001258230920	807379107	/nfs/dbraw/zinc/37/91/07/807379107.db2.gz	FDTXZOOXHOVZKH-ZDUSSCGKSA-N	-1	0	295.360	3.215	20	30		CGEDRM
N#Cc1cccc(-c2nnc(CC3CCCC3)o2)c1[O-]	ZINC001258695593	807550829	/nfs/dbraw/zinc/55/08/29/807550829.db2.gz	RVHSEVYEMMORFT-UHFFFAOYSA-N	-1	0	269.304	3.047	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccsc2C#N)c(C)c1	ZINC001259096299	807673522	/nfs/dbraw/zinc/67/35/22/807673522.db2.gz	XQVXOUSMKDYSRW-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1sc([N-]S(=O)(=O)C2CCCCC2)c(C#N)c1C	ZINC001259809169	807688263	/nfs/dbraw/zinc/68/82/63/807688263.db2.gz	RWHVMAUBDNMVDF-UHFFFAOYSA-N	-1	0	298.433	3.311	20	30		CGEDRM
N#Cc1ccc(CNc2ccccc2/C=C/C(=O)[O-])s1	ZINC001170203371	807795200	/nfs/dbraw/zinc/79/52/00/807795200.db2.gz	SEBHLPNKKSCZFR-VMPITWQZSA-N	-1	0	284.340	3.330	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1CCCSC1	ZINC001262039083	807812660	/nfs/dbraw/zinc/81/26/60/807812660.db2.gz	HDSZGHJWNUFVCU-CYBMUJFWSA-N	-1	0	286.441	3.273	20	30		CGEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001173851918	808713154	/nfs/dbraw/zinc/71/31/54/808713154.db2.gz	YAEOPSMAHKIHGO-UHFFFAOYSA-N	-1	0	260.318	3.468	20	30		CGEDRM
CC(C)CCn1cc(Nc2scc([O-])c2C#N)cn1	ZINC001174411667	809004726	/nfs/dbraw/zinc/00/47/26/809004726.db2.gz	GYWCPAVDLFHBIG-UHFFFAOYSA-N	-1	0	276.365	3.312	20	30		CGEDRM
COc1cc(Nc2cc(C)cc(C#N)c2)ccc1C(=O)[O-]	ZINC001174688451	809130811	/nfs/dbraw/zinc/13/08/11/809130811.db2.gz	XBUJPUCYSACLRV-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc2occc(=O)c2c1	ZINC001174941879	809208543	/nfs/dbraw/zinc/20/85/43/809208543.db2.gz	ARYUQCMFEPNFTI-UHFFFAOYSA-N	-1	0	284.296	3.175	20	30		CGEDRM
CN(C)c1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001174966717	809220261	/nfs/dbraw/zinc/22/02/61/809220261.db2.gz	JEUUIVCHLVBNTG-UHFFFAOYSA-N	-1	0	271.295	3.213	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1	ZINC001174982717	809225866	/nfs/dbraw/zinc/22/58/66/809225866.db2.gz	VEJMJLFKSGQLSY-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-n1cc(C#N)c2cc(N)ccc21	ZINC001174983958	809226863	/nfs/dbraw/zinc/22/68/63/809226863.db2.gz	FYSMQGZZLSVAQY-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175320515	809353307	/nfs/dbraw/zinc/35/33/07/809353307.db2.gz	RNTJINVVQISBNX-UHFFFAOYSA-N	-1	0	288.690	3.359	20	30		CGEDRM
COc1cc(Nc2scc([O-])c2C#N)ccc1F	ZINC001175395887	809390205	/nfs/dbraw/zinc/39/02/05/809390205.db2.gz	SDLMNJRZRANDMW-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
C=CCC1(C(=O)[N-]Oc2ccc(F)cc2)CCCC1	ZINC001300517621	809569529	/nfs/dbraw/zinc/56/95/29/809569529.db2.gz	MUDJMGFAAVULFB-UHFFFAOYSA-N	-1	0	263.312	3.372	20	30		CGEDRM
COc1cc(Nc2ccccc2C#N)cc(C(=O)[O-])c1	ZINC001213590718	815306994	/nfs/dbraw/zinc/30/69/94/815306994.db2.gz	HCAZHHFBPMEZPD-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
N#Cc1ccsc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213620922	815311598	/nfs/dbraw/zinc/31/15/98/815311598.db2.gz	GIQABUMEKDPMNK-UHFFFAOYSA-N	-1	0	272.329	3.381	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)c(C#N)c1	ZINC001176612940	809730429	/nfs/dbraw/zinc/73/04/29/809730429.db2.gz	NXLMXGLWKILKAN-UHFFFAOYSA-N	-1	0	259.265	3.080	20	30		CGEDRM
Cc1ccc(Nc2scc([O-])c2C#N)cc1[N+](=O)[O-]	ZINC001213663750	815320338	/nfs/dbraw/zinc/32/03/38/815320338.db2.gz	WMFDPGIYOZWWCT-UHFFFAOYSA-N	-1	0	275.289	3.286	20	30		CGEDRM
N#Cc1cc(CC(=O)Nc2ccccc2[S-])ccc1F	ZINC001181191457	810041930	/nfs/dbraw/zinc/04/19/30/810041930.db2.gz	XATSPAACDAZEHU-UHFFFAOYSA-N	-1	0	286.331	3.167	20	30		CGEDRM
CC[C@H](CC(C)C)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001181831150	810076044	/nfs/dbraw/zinc/07/60/44/810076044.db2.gz	JTZXFDGKRHAOGY-SNVBAGLBSA-N	-1	0	278.327	3.414	20	30		CGEDRM
Cc1nc2c(cccc2NC(=O)CCC(=O)C2=CC=C[CH]2)o1	ZINC001184245143	810185131	/nfs/dbraw/zinc/18/51/31/810185131.db2.gz	JXQSOZKUHRZZET-UHFFFAOYSA-N	-1	0	295.318	3.125	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCc1ccccc1C1CC1	ZINC001184243383	810185405	/nfs/dbraw/zinc/18/54/05/810185405.db2.gz	FEGXOAXPNKQCFN-UHFFFAOYSA-N	-1	0	294.374	3.230	20	30		CGEDRM
CC(C)c1ccc([N-]S(=O)(=O)c2ccoc2)c(C#N)c1	ZINC001188610572	810493323	/nfs/dbraw/zinc/49/33/23/810493323.db2.gz	QACWNKMLCHLOLV-UHFFFAOYSA-N	-1	0	290.344	3.075	20	30		CGEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccccc2)cs1	ZINC001193107287	810858520	/nfs/dbraw/zinc/85/85/20/810858520.db2.gz	SOINSQUQIUHETE-SNVBAGLBSA-N	-1	0	292.385	3.069	20	30		CGEDRM
Cc1cc2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cc2[nH]1	ZINC001193512894	810900601	/nfs/dbraw/zinc/90/06/01/810900601.db2.gz	VDYBBSHAPZZAPM-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
COc1cc(C)c(NC(=O)c2cccc(C#N)c2[O-])cc1C	ZINC001193652814	810929258	/nfs/dbraw/zinc/92/92/58/810929258.db2.gz	POZPNXVMNSCNIG-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)c1ccc(F)c([O-])c1F	ZINC001193799831	810958086	/nfs/dbraw/zinc/95/80/86/810958086.db2.gz	CQZJSLBMAQWTAN-UHFFFAOYSA-N	-1	0	281.233	3.097	20	30		CGEDRM
Cc1c(C)n(-c2c(Cl)ccc([O-])c2F)c(N)c1C#N	ZINC001214554616	815423119	/nfs/dbraw/zinc/42/31/19/815423119.db2.gz	WFDHVZPTNDLVNY-UHFFFAOYSA-N	-1	0	279.702	3.046	20	30		CGEDRM
C#C[C@@H](CCC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225878372	817203001	/nfs/dbraw/zinc/20/30/01/817203001.db2.gz	AZZLCSTXXZZZRB-LURJTMIESA-N	-1	0	262.202	3.129	20	30		CGEDRM
C[C@H](C#N)c1ccc(NC(=O)c2ccc(C#N)cc2[O-])cc1	ZINC001195751345	811286461	/nfs/dbraw/zinc/28/64/61/811286461.db2.gz	SOPSHIDEBAHNJW-LLVKDONJSA-N	-1	0	291.310	3.143	20	30		CGEDRM
C=CCCCCN(C)C(=S)Nc1ccc(C(=O)[O-])cc1	ZINC001197103914	811398346	/nfs/dbraw/zinc/39/83/46/811398346.db2.gz	XCAFWMAPBWCIOA-UHFFFAOYSA-N	-1	0	292.404	3.370	20	30		CGEDRM
N#Cc1cncc(Nc2cc(C(=O)[O-])c(Cl)cc2F)c1	ZINC001214736111	815447201	/nfs/dbraw/zinc/44/72/01/815447201.db2.gz	NFYFAPAFCSTLTC-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2F)cs1	ZINC001215274084	815501913	/nfs/dbraw/zinc/50/19/13/815501913.db2.gz	GKCRPWBKMXZQDD-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
COc1cccc(Nc2ccsc2C(=O)[O-])c1C#N	ZINC001215394963	815515702	/nfs/dbraw/zinc/51/57/02/815515702.db2.gz	CELIMLQUTQATTP-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1ccsc1C(=O)[O-]	ZINC001215395222	815515771	/nfs/dbraw/zinc/51/57/71/815515771.db2.gz	HKROONFKYZCBSY-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1ccsc1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203316648	812308326	/nfs/dbraw/zinc/30/83/26/812308326.db2.gz	ROKDTWLZNIGIQO-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1c(F)cc([N-]c2nnc(-c3ccco3)o2)cc1F	ZINC001203669975	812426308	/nfs/dbraw/zinc/42/63/08/812426308.db2.gz	XFZWZBDCIQBWPX-UHFFFAOYSA-N	-1	0	288.213	3.223	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3ccsc3C(=O)[O-])ccc12	ZINC001205586292	813013928	/nfs/dbraw/zinc/01/39/28/813013928.db2.gz	LUYHXYZNBCMJJM-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
N#CCc1ccc(-c2csc(C(=O)[O-])c2)c(F)c1	ZINC001206278478	813268944	/nfs/dbraw/zinc/26/89/44/813268944.db2.gz	IEOPCVYUSMFFNL-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1sccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209885844	814187340	/nfs/dbraw/zinc/18/73/40/814187340.db2.gz	NXCAUKAKSDNCSR-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)cc(C(=O)[O-])c2)cs1	ZINC001209888338	814188213	/nfs/dbraw/zinc/18/82/13/814188213.db2.gz	ANJULCLFMBUCLB-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1ccc(Nc2ccc(C#N)cc2C)cc1C(=O)[O-]	ZINC001209900206	814193998	/nfs/dbraw/zinc/19/39/98/814193998.db2.gz	HIQJUTKXDVDADB-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1ccc(Nc2c(F)cccc2C#N)cc1C(=O)[O-]	ZINC001209903536	814195042	/nfs/dbraw/zinc/19/50/42/814195042.db2.gz	XNZBWVDRXNWSGE-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1cccc(Nc2cccc(C(=O)[O-])c2F)c1	ZINC001210241308	814360036	/nfs/dbraw/zinc/36/00/36/814360036.db2.gz	WICUGBQEEZGKQV-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210242433	814361348	/nfs/dbraw/zinc/36/13/48/814361348.db2.gz	RYWSRLKJTIXJMV-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1nc(C#N)cnc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210926525	814678224	/nfs/dbraw/zinc/67/82/24/814678224.db2.gz	LQSAUOQMBJZHRL-UHFFFAOYSA-N	-1	0	295.129	3.413	20	30		CGEDRM
C#Cc1ccc(Nc2ccccc2C(=O)[O-])cc1F	ZINC001210968939	814696521	/nfs/dbraw/zinc/69/65/21/814696521.db2.gz	MEOORONCVSJGME-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
C#Cc1cccc(Nc2cccc(C(=O)[O-])c2OC)c1	ZINC001211036538	814714047	/nfs/dbraw/zinc/71/40/47/814714047.db2.gz	HQHIOHXQKYSBAR-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
COc1c(Nc2ccc(CC#N)cc2)cccc1C(=O)[O-]	ZINC001211037244	814714386	/nfs/dbraw/zinc/71/43/86/814714386.db2.gz	RTODXDCPBFATPU-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2cc(F)c(O)cc2F)cc1F	ZINC001211359833	814886686	/nfs/dbraw/zinc/88/66/86/814886686.db2.gz	OBFTVSVFQKXYHG-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
Cc1cc(Nc2ccccc2C#N)cc(C(=O)[O-])c1	ZINC001211542662	814904124	/nfs/dbraw/zinc/90/41/24/814904124.db2.gz	MYWBCDNFWYYGHX-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)cc(C)c1CO	ZINC001216119495	815703828	/nfs/dbraw/zinc/70/38/28/815703828.db2.gz	OFGXDBJNOSMOMR-UHFFFAOYSA-N	-1	0	274.345	3.178	20	30		CGEDRM
CN(C)c1cc(F)cc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001216162308	815717676	/nfs/dbraw/zinc/71/76/76/815717676.db2.gz	KRUSGGDAWLNSKU-UHFFFAOYSA-N	-1	0	289.285	3.352	20	30		CGEDRM
Cc1nc(C#N)c([N-]c2cc3c(cccc3F)o2)o1	ZINC001216291572	815769866	/nfs/dbraw/zinc/76/98/66/815769866.db2.gz	MIDMHALBPNGMTH-UHFFFAOYSA-N	-1	0	257.224	3.484	20	30		CGEDRM
N#Cc1ncncc1-c1cc(Cl)c([O-])c(Cl)c1	ZINC001242853490	823152696	/nfs/dbraw/zinc/15/26/96/823152696.db2.gz	PZHFMNZJPFYFHW-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216682047	815893384	/nfs/dbraw/zinc/89/33/84/815893384.db2.gz	URHQGMHTPGUTFV-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#CCc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1	ZINC001216683064	815893948	/nfs/dbraw/zinc/89/39/48/815893948.db2.gz	HRKCVNAOSSTACJ-UHFFFAOYSA-N	-1	0	284.290	3.262	20	30		CGEDRM
Cc1ccc(F)c(-c2noc(-c3cccc(C#N)c3[O-])n2)c1	ZINC001216979106	815904001	/nfs/dbraw/zinc/90/40/01/815904001.db2.gz	VPZYVQDMSGFJRO-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(CC#N)ccc1F	ZINC001242923897	823173465	/nfs/dbraw/zinc/17/34/65/823173465.db2.gz	HLHGVHAYKLDENF-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222407769	816436372	/nfs/dbraw/zinc/43/63/72/816436372.db2.gz	KCDBLLCWDFPPPN-UHFFFAOYSA-N	-1	0	299.236	3.030	20	30		CGEDRM
[O-]/N=C(\Cl)c1ccccc1C(F)(F)OC1CC1	ZINC001222940637	816539280	/nfs/dbraw/zinc/53/92/80/816539280.db2.gz	WXOZMKKCRJWLAX-GDNBJRDFSA-N	-1	0	261.655	3.290	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCC[C@@H](C)C2)c1	ZINC001223893471	816699001	/nfs/dbraw/zinc/69/90/01/816699001.db2.gz	WELBHIMKHQRERA-XHVRLZQUSA-N	-1	0	293.363	3.435	20	30		CGEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](OCCCC[P@@](=O)([O-])O)C1	ZINC001225023523	816934540	/nfs/dbraw/zinc/93/45/40/816934540.db2.gz	XCJSKIWIDONSEQ-ZIAGYGMSSA-N	-1	0	288.324	3.262	20	30		CGEDRM
C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1C#N	ZINC001225491555	817072818	/nfs/dbraw/zinc/07/28/18/817072818.db2.gz	QHQWODRWBPSFJV-JTQLQIEISA-N	-1	0	284.271	3.312	20	30		CGEDRM
COc1cccc(CC#N)c1O[C@@H](C)C1=CC=C[CH]1	ZINC001225842121	817194199	/nfs/dbraw/zinc/19/41/99/817194199.db2.gz	VGEFHPCTTGWHKD-LBPRGKRZSA-N	-1	0	254.309	3.229	20	30		CGEDRM
C[C@H]1CCC[C@H](C)C1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008532	817247334	/nfs/dbraw/zinc/24/73/34/817247334.db2.gz	HYBXRSUXRVROFT-IUCAKERBSA-N	-1	0	264.300	3.001	20	30		CGEDRM
CC[C@H](C[C@@H](C)CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009212	817248149	/nfs/dbraw/zinc/24/81/49/817248149.db2.gz	UUBTUDMIWLLRCV-GXSJLCMTSA-N	-1	0	266.316	3.392	20	30		CGEDRM
Cc1cccc2c1[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)CC2	ZINC001226012761	817249509	/nfs/dbraw/zinc/24/95/09/817249509.db2.gz	FFLUUFACFHAKES-ZDUSSCGKSA-N	-1	0	284.290	3.173	20	30		CGEDRM
C=CCOc1ccccc1[C@H](C)Oc1nc(C)cc(=O)[n-]1	ZINC001226159121	817287281	/nfs/dbraw/zinc/28/72/81/817287281.db2.gz	HZSYVNPNNMQYOZ-LBPRGKRZSA-N	-1	0	286.331	3.195	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCc3cc(F)ccc32)c1C#N	ZINC001226223311	817301467	/nfs/dbraw/zinc/30/14/67/817301467.db2.gz	NUIGOPHYQVFWRD-CQSZACIVSA-N	-1	0	284.290	3.173	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCc3cc(F)ccc32)c1C#N	ZINC001226223310	817302015	/nfs/dbraw/zinc/30/20/15/817302015.db2.gz	NUIGOPHYQVFWRD-AWEZNQCLSA-N	-1	0	284.290	3.173	20	30		CGEDRM
COc1ccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226221200	817302750	/nfs/dbraw/zinc/30/27/50/817302750.db2.gz	IQJGOKNLPVXUEX-NSHDSACASA-N	-1	0	284.315	3.116	20	30		CGEDRM
CCCCCCCCCC[C@@H](C)Oc1c([O-])c(=O)c1=O	ZINC001226608212	817412573	/nfs/dbraw/zinc/41/25/73/817412573.db2.gz	YFNBPQJDZGDNPI-GFCCVEGCSA-N	-1	0	282.380	3.286	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2ccnc(=S)[nH]2)C1	ZINC001226939880	817511756	/nfs/dbraw/zinc/51/17/56/817511756.db2.gz	JWCJQFUGYAYQKF-NWDGAFQWSA-N	-1	0	262.378	3.445	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cc(C)cc(C(=O)[O-])c2)n1	ZINC001243176648	823273847	/nfs/dbraw/zinc/27/38/47/823273847.db2.gz	AXKRYCBPNLITKU-UHFFFAOYSA-N	-1	0	299.355	3.052	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cnc3c(C#N)c[nH]c3c2)c1	ZINC001243178302	823275438	/nfs/dbraw/zinc/27/54/38/823275438.db2.gz	OGWKGJLPRWNGHL-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C)c(C#N)c(C)n2)c1	ZINC001243178484	823275476	/nfs/dbraw/zinc/27/54/76/823275476.db2.gz	KARYEGVJKSKOSS-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1ccc(-c2ccc3[nH]c(C#N)cc3n2)cc1C(=O)[O-]	ZINC001243193713	823284012	/nfs/dbraw/zinc/28/40/12/823284012.db2.gz	JXDDJGXLIKQPIT-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
COc1cccc(-c2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001243204259	823289875	/nfs/dbraw/zinc/28/98/75/823289875.db2.gz	KGSHDZUTFGQNST-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
CCCCCCCC[C@H](C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310161	817873214	/nfs/dbraw/zinc/87/32/14/817873214.db2.gz	CMRKGHQTPQKRIZ-NSHDSACASA-N	-1	0	283.372	3.109	20	30		CGEDRM
Cc1cc(-c2cc(C)c(C#N)c(C)n2)ccc1C(=O)[O-]	ZINC001243214163	823295616	/nfs/dbraw/zinc/29/56/16/823295616.db2.gz	NDQBPNDLPKZSGC-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
C[C@@H](CS)Oc1cc(-c2ccccc2)nc(=S)[nH]1	ZINC001228347652	817884144	/nfs/dbraw/zinc/88/41/44/817884144.db2.gz	UDYRXXVGNJDRMS-VIFPVBQESA-N	-1	0	278.402	3.129	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](Oc2[n-]ncc(=O)c2Cl)C(C)(C)O1	ZINC001228391304	817895110	/nfs/dbraw/zinc/89/51/10/817895110.db2.gz	VFQYPMFQIVLABJ-IINYFYTJSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=CC[C@H](CCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231259978	818066086	/nfs/dbraw/zinc/06/60/86/818066086.db2.gz	QNVLYIYSUZWBKZ-SNVBAGLBSA-N	-1	0	266.297	3.127	20	30		CGEDRM
N#Cc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)nc1F	ZINC001243324058	823347596	/nfs/dbraw/zinc/34/75/96/823347596.db2.gz	KSGRUBQBMXRKIV-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ccc2ncc(-c3ccc([O-])c(F)c3F)nc2c1	ZINC001243338985	823352454	/nfs/dbraw/zinc/35/24/54/823352454.db2.gz	GHSWHYDPSSGIGA-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
C=CCOc1ccc(-c2ccc([O-])c(F)c2F)nc1C#N	ZINC001243339147	823352522	/nfs/dbraw/zinc/35/25/22/823352522.db2.gz	LOKUVFFMXQYLCL-UHFFFAOYSA-N	-1	0	288.253	3.169	20	30		CGEDRM
Cc1cc(O)c(Cl)cc1O[C@@H]1CC[C@H](C#N)C1	ZINC001233591982	818651986	/nfs/dbraw/zinc/65/19/86/818651986.db2.gz	ITEZYJFEVFNYLG-VHSXEESVSA-N	-1	0	251.713	3.425	20	30		CGEDRM
N#CC[C@H](Oc1ccc2c(c1)C(=O)CO2)c1ccccc1	ZINC001233677901	818676936	/nfs/dbraw/zinc/67/69/36/818676936.db2.gz	POJGNLDSPXPLBJ-INIZCTEOSA-N	-1	0	279.295	3.295	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234519690	818871906	/nfs/dbraw/zinc/87/19/06/818871906.db2.gz	LGZLBPIGDBEEKT-GFCCVEGCSA-N	-1	0	283.331	3.331	20	30		CGEDRM
C=C[C@H](C#CC(C)(C)C)Oc1ccccc1C=N[O-]	ZINC001234819097	818926009	/nfs/dbraw/zinc/92/60/09/818926009.db2.gz	HGAIANZZAPUSPY-CQSZACIVSA-N	-1	0	257.333	3.478	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(/C=C/C(=O)[O-])cc3)nc2)CC1	ZINC001235078776	818995989	/nfs/dbraw/zinc/99/59/89/818995989.db2.gz	RPBSDUBYPMITGK-FPYGCLRLSA-N	-1	0	290.322	3.402	20	30		CGEDRM
N#Cc1cc2ccccc2nc1-c1ccc(C(=O)[O-])cc1	ZINC001236054242	819290337	/nfs/dbraw/zinc/29/03/37/819290337.db2.gz	SUZQPFXLOQZNPW-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccc(C(=O)[O-])cc1	ZINC001236063845	819296527	/nfs/dbraw/zinc/29/65/27/819296527.db2.gz	ITSSFJBZXVMBHV-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
O=c1cc(-c2cc(C=N[O-])cc(C(F)(F)F)c2)cc[nH]1	ZINC001243429649	823402982	/nfs/dbraw/zinc/40/29/82/823402982.db2.gz	YVQXULJSLVTDFP-CNHKJKLMSA-N	-1	0	282.221	3.281	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)cc(F)c1[O-])CCCC2	ZINC001243503516	823422295	/nfs/dbraw/zinc/42/22/95/823422295.db2.gz	HHVIFTZLSMIKEY-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
CCCCN(CC#N)Cc1cc(F)cc(Cl)c1[O-]	ZINC001237804283	819844429	/nfs/dbraw/zinc/84/44/29/819844429.db2.gz	CEASRKKGOVRNLA-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
C=CCN(CC=C)Cc1cc(Cl)c([O-])cc1F	ZINC001238151483	819942349	/nfs/dbraw/zinc/94/23/49/819942349.db2.gz	FUASHBHDMLRGLN-UHFFFAOYSA-N	-1	0	255.720	3.359	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001243578851	823452820	/nfs/dbraw/zinc/45/28/20/823452820.db2.gz	VPAOITJBMBVCPT-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1	ZINC001239254887	820241221	/nfs/dbraw/zinc/24/12/21/820241221.db2.gz	SIKPTAOPYRFYOF-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239352236	820286770	/nfs/dbraw/zinc/28/67/70/820286770.db2.gz	RNMJXTGVHMPSQP-UHFFFAOYSA-N	-1	0	299.236	3.030	20	30		CGEDRM
N#CCc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1C#N	ZINC001239353596	820287374	/nfs/dbraw/zinc/28/73/74/820287374.db2.gz	ZALFOENVBUZXSW-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240548211	821134511	/nfs/dbraw/zinc/13/45/11/821134511.db2.gz	KBYVVLCMSSEVIM-QPJJXVBHSA-N	-1	0	297.285	3.493	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C)c(C#N)c(F)c1	ZINC001240737107	821289264	/nfs/dbraw/zinc/28/92/64/821289264.db2.gz	QOMQOPLBSWSVFB-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)c(C)c1	ZINC001240737216	821289590	/nfs/dbraw/zinc/28/95/90/821289590.db2.gz	UKISPCCRJPNWQZ-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
COc1cc(-c2cccc(F)c2CC#N)ccc1C(=O)[O-]	ZINC001240746705	821297626	/nfs/dbraw/zinc/29/76/26/821297626.db2.gz	ZPAGYWXAYMLHMW-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc2ccccc2nc1-c1ccc(CC(=O)[O-])cc1	ZINC001240971464	821456544	/nfs/dbraw/zinc/45/65/44/821456544.db2.gz	APRUHCGWFHXXMU-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(F)c1C#N	ZINC001241001006	821479330	/nfs/dbraw/zinc/47/93/30/821479330.db2.gz	QHJPZWUFWIUBCP-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2c(F)cc([O-])cc2F)n1	ZINC001241118010	821572923	/nfs/dbraw/zinc/57/29/23/821572923.db2.gz	CBTIBGCQVMWZPZ-UHFFFAOYSA-N	-1	0	278.258	3.001	20	30		CGEDRM
N#Cc1c2c(cnc1-c1c(F)cc([O-])cc1F)CCCC2	ZINC001241118299	821573144	/nfs/dbraw/zinc/57/31/44/821573144.db2.gz	BQSUUCNXBWSMBA-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2c(F)cc(O)cc2F)c1	ZINC001241122399	821578341	/nfs/dbraw/zinc/57/83/41/821578341.db2.gz	BWKMCYWDWCWXEI-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001241184725	821621921	/nfs/dbraw/zinc/62/19/21/821621921.db2.gz	BHHNBTPQDYWGKE-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])c(Cl)c1)CCC2	ZINC001241348513	821752125	/nfs/dbraw/zinc/75/21/25/821752125.db2.gz	XDKJQOVDSXYMHW-UHFFFAOYSA-N	-1	0	298.729	3.461	20	30		CGEDRM
Cc1nc(-c2cccc(C(=O)[O-])c2)c(C#N)c(C)c1C	ZINC001241357688	821759176	/nfs/dbraw/zinc/75/91/76/821759176.db2.gz	GKEWBYPHMLGMCI-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2)cc1CC#N	ZINC001241359521	821760496	/nfs/dbraw/zinc/76/04/96/821760496.db2.gz	KUCMCJXTTCMJKV-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
C/C(=N\O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC001241361676	821762720	/nfs/dbraw/zinc/76/27/20/821762720.db2.gz	FSAJZLODJCAOOD-MHWRWJLKSA-N	-1	0	255.273	3.250	20	30		CGEDRM
COc1ccc(-c2ccccc2CC#N)cc1C(=O)[O-]	ZINC001241868957	822187815	/nfs/dbraw/zinc/18/78/15/822187815.db2.gz	VFHRBJFQLNPRAY-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
COc1ccc(-c2ccc(F)c(C#N)c2F)cc1C(=O)[O-]	ZINC001241880019	822191269	/nfs/dbraw/zinc/19/12/69/822191269.db2.gz	KCXSHXCROVXIHS-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(C2(C#N)CC2)cn1	ZINC001242204771	822909494	/nfs/dbraw/zinc/90/94/94/822909494.db2.gz	GUCQQXLZRZIPFC-UHFFFAOYSA-N	-1	0	296.301	3.450	20	30		CGEDRM
Cc1cnc(-c2cc(C(=O)[O-])cc(F)c2C)c(/C=N/O)c1	ZINC001242208226	822910906	/nfs/dbraw/zinc/91/09/06/822910906.db2.gz	DLTVKRVZAJNWDG-CNHKJKLMSA-N	-1	0	288.278	3.011	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(CC#N)c(C#N)c1	ZINC001242211132	822911605	/nfs/dbraw/zinc/91/16/05/822911605.db2.gz	SMBYNEFICCLXHO-UHFFFAOYSA-N	-1	0	294.285	3.437	20	30		CGEDRM
N#Cc1cnc(-c2cccc(CC(=O)[O-])c2)c2ccccc12	ZINC001242259968	822929533	/nfs/dbraw/zinc/92/95/33/822929533.db2.gz	KRVNWGWBKGRURO-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#Cc1cc2cc(-c3cccc(CC(=O)[O-])c3)ccc2[nH]1	ZINC001242264260	822930256	/nfs/dbraw/zinc/93/02/56/822930256.db2.gz	WAISIKFUYKLBTE-UHFFFAOYSA-N	-1	0	276.295	3.334	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cccc(Cl)c2[O-])n1	ZINC001242362569	822967177	/nfs/dbraw/zinc/96/71/77/822967177.db2.gz	JPCHIICADHPAFX-UHFFFAOYSA-N	-1	0	277.736	3.096	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cccc(C(=O)[O-])c1F	ZINC001242381973	822975429	/nfs/dbraw/zinc/97/54/29/822975429.db2.gz	KHXQOWMAOMJHOX-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(CC#N)ccc1F	ZINC001242392357	822979626	/nfs/dbraw/zinc/97/96/26/822979626.db2.gz	SQYQJVIXXLAJGN-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cccc2c1CC[C@H]2Nc1ccccc1C(=O)[O-]	ZINC001171064512	928185449	/nfs/dbraw/zinc/18/54/49/928185449.db2.gz	GPBZEQIJVNZWNP-MRXNPFEDSA-N	-1	0	278.311	3.356	20	30		CGEDRM
CCCCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H](C)CC	ZINC001362238553	937230502	/nfs/dbraw/zinc/23/05/02/937230502.db2.gz	IQDDWGMEVFEOHQ-GFCCVEGCSA-N	-1	0	289.379	3.008	20	30		CGEDRM
O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccccc1	ZINC000206599474	928716534	/nfs/dbraw/zinc/71/65/34/928716534.db2.gz	PSWZFOFXPNFRHH-HJWRWDBZSA-N	-1	0	293.369	3.107	20	30		CGEDRM
C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1[O-]	ZINC001436687071	937286058	/nfs/dbraw/zinc/28/60/58/937286058.db2.gz	KKTXEDXYEZPDRR-CQSZACIVSA-N	-1	0	299.345	3.449	20	30		CGEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230662778	932606062	/nfs/dbraw/zinc/60/60/62/932606062.db2.gz	GASINOFPDLFWHJ-JTQLQIEISA-N	-1	0	282.299	3.262	20	30		CGEDRM
C=CC(C=C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231051032	932666405	/nfs/dbraw/zinc/66/64/05/932666405.db2.gz	WZRBMBKSRFQSCY-UHFFFAOYSA-N	-1	0	270.119	3.384	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(F)cc1[O-]	ZINC001306892006	932891953	/nfs/dbraw/zinc/89/19/53/932891953.db2.gz	ZRRNLZILRRHSJA-UHFFFAOYSA-N	-1	0	265.328	3.254	20	30		CGEDRM
COc1cc(O)ccc1/C=C\C(=O)c1ccccc1[O-]	ZINC001319243078	933846946	/nfs/dbraw/zinc/84/69/46/933846946.db2.gz	HXBNENMARBAMFE-CLFYSBASSA-N	-1	0	270.284	3.003	20	30		CGEDRM
C=CC[C@H](NC(=O)Nc1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC001333952479	936077233	/nfs/dbraw/zinc/07/72/33/936077233.db2.gz	FWVHWHBJFHGQHH-NSHDSACASA-N	-1	0	296.754	3.108	20	30		CGEDRM
CC(N=Nc1ccc(C#N)cn1)[C@H](C)CCCCC(=O)[O-]	ZINC001337006437	936231884	/nfs/dbraw/zinc/23/18/84/936231884.db2.gz	GCDFBJYJKDKBFR-LLVKDONJSA-N	-1	0	288.351	3.022	20	30		CGEDRM
CC(C)(Nc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001546334666	938000601	/nfs/dbraw/zinc/00/06/01/938000601.db2.gz	WZLALKWUSWXHPU-UHFFFAOYSA-N	-1	0	295.342	3.093	20	30		CGEDRM
N#CC(=C([O-])C=CC1CCCC1)c1ncc(F)cc1F	ZINC001520448534	938025796	/nfs/dbraw/zinc/02/57/96/938025796.db2.gz	HXRZHIIMVUIACO-FJOGCWAESA-N	-1	0	276.286	3.282	20	30		CGEDRM
C=C(CC(C)C)C(=O)NCc1cccc(Cl)c1O	ZINC001529187548	938071669	/nfs/dbraw/zinc/07/16/69/938071669.db2.gz	GJDMWLWMVSPPCB-UHFFFAOYSA-N	-1	0	267.756	3.264	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cccc(F)c1[O-]	ZINC001537138815	938108283	/nfs/dbraw/zinc/10/82/83/938108283.db2.gz	YTRCTILZUNRDHY-UHFFFAOYSA-N	-1	0	265.328	3.254	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](OCC1CCCC1)c1ccccc1	ZINC001556633884	938204762	/nfs/dbraw/zinc/20/47/62/938204762.db2.gz	XXBJRKKMMBNDRO-INIZCTEOSA-N	-1	0	289.375	3.168	20	30		CGEDRM
C=C1CCC(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1	ZINC001602713169	971360989	/nfs/dbraw/zinc/36/09/89/971360989.db2.gz	OFVGWZJASADURF-HZPDHXFCSA-N	-1	0	299.370	3.162	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1	ZINC001602718901	971378246	/nfs/dbraw/zinc/37/82/46/971378246.db2.gz	YQYVRBZJWSDHFZ-DOMZBBRYSA-N	-1	0	287.359	3.250	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001602722672	971387940	/nfs/dbraw/zinc/38/79/40/971387940.db2.gz	FPMGXKSUWNPUGJ-LBPRGKRZSA-N	-1	0	295.404	3.010	20	30		CGEDRM
C=CCC(C)(C)CNc1ncc(C(=O)[O-])cc1Cl	ZINC000380915770	971725532	/nfs/dbraw/zinc/72/55/32/971725532.db2.gz	AMQOMUZYUKFMNZ-UHFFFAOYSA-N	-1	0	268.744	3.447	20	30		CGEDRM
N#Cc1ccc(CNc2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC000063006121	957633596	/nfs/dbraw/zinc/63/35/96/957633596.db2.gz	RVZWGZYTPLOVPW-UHFFFAOYSA-N	-1	0	288.253	3.147	20	30		CGEDRM
C=CC[C@H](Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-]	ZINC001588752332	960491436	/nfs/dbraw/zinc/49/14/36/960491436.db2.gz	VZKLVXUBLPFDBQ-NSHDSACASA-N	-1	0	273.254	3.233	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2cc(C)c(C(=O)[O-])o2)oc1C	ZINC001600076120	960543801	/nfs/dbraw/zinc/54/38/01/960543801.db2.gz	ZYBVIXNDTDMILA-SNAWJCMRSA-N	-1	0	274.272	3.392	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3ccncc3c2)c1	ZINC001567073269	961107834	/nfs/dbraw/zinc/10/78/34/961107834.db2.gz	RLULVINKIAJVSN-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
C#C[C@](C)(CC)N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F	ZINC001573303180	962671591	/nfs/dbraw/zinc/67/15/91/962671591.db2.gz	WBDDDMLEYOAMSR-TZMCWYRMSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C=C(CCC)CCC)C(=O)[O-]	ZINC001573321731	962761924	/nfs/dbraw/zinc/76/19/24/962761924.db2.gz	QWERWUFWDUEYMJ-ZDUSSCGKSA-N	-1	0	267.369	3.049	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccccc1	ZINC001573331821	962816688	/nfs/dbraw/zinc/81/66/88/962816688.db2.gz	BTKHOSBCHLAIPQ-OAHLLOKOSA-N	-1	0	287.359	3.161	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C(C)(C)C	ZINC001573332301	962829770	/nfs/dbraw/zinc/82/97/70/962829770.db2.gz	HBGFXFVSTGKUJH-HNNXBMFYSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=CCCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000302290717	963071135	/nfs/dbraw/zinc/07/11/35/963071135.db2.gz	ADVITYJLSWEZKX-UHFFFAOYSA-N	-1	0	282.727	3.126	20	30		CGEDRM
C=C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000304229716	963129396	/nfs/dbraw/zinc/12/93/96/963129396.db2.gz	RJKBKICPGRODDH-SECBINFHSA-N	-1	0	262.252	3.437	20	30		CGEDRM
C=CCC(C)(C)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588736844	963157667	/nfs/dbraw/zinc/15/76/67/963157667.db2.gz	WRSWFSUTTBKTHN-RYUDHWBXSA-N	-1	0	268.353	3.023	20	30		CGEDRM
C=C(C)CCSCc1ccc(OC)c(-c2nn[nH]n2)c1	ZINC001588424080	963267359	/nfs/dbraw/zinc/26/73/59/963267359.db2.gz	FZVHDJYBWRYKLO-UHFFFAOYSA-N	-1	0	290.392	3.075	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588438996	963271968	/nfs/dbraw/zinc/27/19/68/963271968.db2.gz	CCGKYCNCWBYMLZ-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCCCN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588459969	963274293	/nfs/dbraw/zinc/27/42/93/963274293.db2.gz	OKWQVZHDPOFLNZ-UHFFFAOYSA-N	-1	0	294.326	3.344	20	30		CGEDRM
C#CCN(Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1	ZINC001588469751	963276803	/nfs/dbraw/zinc/27/68/03/963276803.db2.gz	QFMQNKURYUBUTD-KRWDZBQOSA-N	-1	0	297.329	3.087	20	30		CGEDRM
C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001588452697	963278699	/nfs/dbraw/zinc/27/86/99/963278699.db2.gz	QMUZIJWFQJYRPD-ZIAGYGMSSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)[O-]	ZINC001588546337	963281884	/nfs/dbraw/zinc/28/18/84/963281884.db2.gz	HFZMUFIPXYNVOM-CYBMUJFWSA-N	-1	0	299.326	3.096	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)C(=O)[O-]	ZINC001588537690	963283462	/nfs/dbraw/zinc/28/34/62/963283462.db2.gz	WAMIVPGLEJVPLE-PFSRBDOWSA-N	-1	0	295.423	3.375	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCCC)cc1C	ZINC001588634576	963291424	/nfs/dbraw/zinc/29/14/24/963291424.db2.gz	XMBVBROQYRHBFV-UHFFFAOYSA-N	-1	0	291.347	3.143	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001588682810	963296593	/nfs/dbraw/zinc/29/65/93/963296593.db2.gz	QNDHSOHOIBSYER-BONVTDFDSA-N	-1	0	280.320	3.493	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588681716	963298565	/nfs/dbraw/zinc/29/85/65/963298565.db2.gz	DEZVNKSOMRWIGH-CQSZACIVSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C[C@@H](C)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1	ZINC001588687210	963299059	/nfs/dbraw/zinc/29/90/59/963299059.db2.gz	LOICJYORSLGFBW-SNVBAGLBSA-N	-1	0	284.315	3.234	20	30		CGEDRM
C=CCC(C)(C)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC001588736922	963312095	/nfs/dbraw/zinc/31/20/95/963312095.db2.gz	ZRYVWHLKBPGLSA-SECBINFHSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CCC[C@H](C(=O)O[C@H](C)CC(=O)[O-])c1ccccc1	ZINC001588776941	963314050	/nfs/dbraw/zinc/31/40/50/963314050.db2.gz	NXOFTUXQHJYWIL-OCCSQVGLSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@H](F)CC1CCCCC1)C(=O)[O-]	ZINC001588786976	963315335	/nfs/dbraw/zinc/31/53/35/963315335.db2.gz	SAWDJDDTCXYUHR-ZIAGYGMSSA-N	-1	0	299.386	3.221	20	30		CGEDRM
C=CCCCC(=O)N(CCCC(=O)[O-])Cc1ccccc1	ZINC001588781819	963316359	/nfs/dbraw/zinc/31/63/59/963316359.db2.gz	JCBVVIYLUFRGES-UHFFFAOYSA-N	-1	0	289.375	3.236	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1cccc(Cl)c1C)C(=O)[O-]	ZINC001588793651	963316747	/nfs/dbraw/zinc/31/67/47/963316747.db2.gz	VWOLFRCKCNWPAX-CYBMUJFWSA-N	-1	0	295.766	3.188	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC001588792989	963318281	/nfs/dbraw/zinc/31/82/81/963318281.db2.gz	JPKVYXRIXZCXQD-LBPRGKRZSA-N	-1	0	299.729	3.018	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)c1cccc(C(=O)[O-])n1	ZINC001588817289	963323098	/nfs/dbraw/zinc/32/30/98/963323098.db2.gz	GWENYYQODWRKID-UHFFFAOYSA-N	-1	0	296.326	3.151	20	30		CGEDRM
CC#CCCCC(=O)O[C@H](CC1CCCCC1)C(=O)[O-]	ZINC001588927075	963330029	/nfs/dbraw/zinc/33/00/29/963330029.db2.gz	LUELYWPMHYGKIN-CQSZACIVSA-N	-1	0	280.364	3.147	20	30		CGEDRM
CC#CCCCC(=O)Nc1ncc(C(=O)[O-])c2ccccc21	ZINC001588927022	963334015	/nfs/dbraw/zinc/33/40/15/963334015.db2.gz	JCQCPGZKZNZVAX-UHFFFAOYSA-N	-1	0	296.326	3.065	20	30		CGEDRM
CC(C)(C#N)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001589553587	963998503	/nfs/dbraw/zinc/99/85/03/963998503.db2.gz	FDKASBHIBSMZKD-UHFFFAOYSA-N	-1	0	298.701	3.056	20	30		CGEDRM
CC(C)c1[nH]c(CN(CC#N)C2CCCC2)cc1C(=O)[O-]	ZINC001591910943	976327703	/nfs/dbraw/zinc/32/77/03/976327703.db2.gz	QSRVQHUZGMWJEE-UHFFFAOYSA-N	-1	0	289.379	3.104	20	30		CGEDRM
CC(C)n1cncc1/C=C/C(=O)c1cc(C(=O)[O-])cs1	ZINC001592145425	977002213	/nfs/dbraw/zinc/00/22/13/977002213.db2.gz	DOZHZVMEIDHKPQ-ONEGZZNKSA-N	-1	0	290.344	3.120	20	30		CGEDRM
CC[C@@](C/N=C\c1ccccc1O)(C(=O)[O-])c1ccccc1	ZINC001595130888	979545216	/nfs/dbraw/zinc/54/52/16/979545216.db2.gz	DPAOZQSYRFGWDC-IZILLXMLSA-N	-1	0	297.354	3.244	20	30		CGEDRM
C[C@H](Cc1ccc(NCC#Cc2ccccc2)cc1)C(=O)[O-]	ZINC001592877590	979744971	/nfs/dbraw/zinc/74/49/71/979744971.db2.gz	NICNKXONSZAXMG-OAHLLOKOSA-N	-1	0	293.366	3.413	20	30		CGEDRM
CCCC(C)(C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001595539007	981395949	/nfs/dbraw/zinc/39/59/49/981395949.db2.gz	VCJSPIXMOOOYDN-UHFFFAOYSA-N	-1	0	289.331	3.126	20	30		CGEDRM
CCCC[C@H](Nc1ccccc1O[C@H](C)C#N)C(=O)[O-]	ZINC001595645308	981987974	/nfs/dbraw/zinc/98/79/74/981987974.db2.gz	HNLJWRKQWFTRED-YPMHNXCESA-N	-1	0	276.336	3.033	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)Nc1[nH]cnc1C(=O)[O-]	ZINC001595705427	982285681	/nfs/dbraw/zinc/28/56/81/982285681.db2.gz	ZPZKMMWLOSXJHD-NSHDSACASA-N	-1	0	295.383	3.433	20	30		CGEDRM
CCNc1ccc(C#N)cc1NCc1cccc(C(=O)[O-])c1	ZINC001596501235	984253822	/nfs/dbraw/zinc/25/38/22/984253822.db2.gz	KDXFLTONESLQTH-UHFFFAOYSA-N	-1	0	295.342	3.300	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1	ZINC001597146266	986909883	/nfs/dbraw/zinc/90/98/83/986909883.db2.gz	XGHIUPHCLMOWSQ-VURMDHGXSA-N	-1	0	286.283	3.273	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC001594721877	987206448	/nfs/dbraw/zinc/20/64/48/987206448.db2.gz	GFLJGGCXKNWSFG-UHFFFAOYSA-N	-1	0	295.722	3.274	20	30		CGEDRM
CC(C)(C)C[C@@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001589743285	988024902	/nfs/dbraw/zinc/02/49/02/988024902.db2.gz	JPIHIVRWENXKIY-FNQVVVRFSA-N	-1	0	283.755	3.354	20	30		CGEDRM
CC(C)(C)C[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001589743284	988025101	/nfs/dbraw/zinc/02/51/01/988025101.db2.gz	JPIHIVRWENXKIY-AXLKIAQESA-N	-1	0	283.755	3.354	20	30		CGEDRM
CCc1ccccc1CON=Cc1ccc(C(=O)[O-])cc1	ZINC001597609500	988495469	/nfs/dbraw/zinc/49/54/69/988495469.db2.gz	OXXGFKGEGMRQLE-UHFFFAOYSA-N	-1	0	283.327	3.498	20	30		CGEDRM
CC1(C)CCCN(Cc2ccc(C(=O)[O-])cc2F)[C@@H]1C#N	ZINC001593910094	996789434	/nfs/dbraw/zinc/78/94/34/996789434.db2.gz	BAQSSHWNXHDFPS-CQSZACIVSA-N	-1	0	290.338	3.038	20	30		CGEDRM
COCc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1	ZINC001599294222	997109948	/nfs/dbraw/zinc/10/99/48/997109948.db2.gz	NSGIAQAAFJUGBZ-SREVYHEPSA-N	-1	0	286.283	3.020	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1OCCN=c1[n-]c(C#N)c(Cl)s1	ZINC000590573481	346851611	/nfs/dbraw/zinc/85/16/11/346851611.db2.gz	YUEHBXNMEONOPS-MWLCHTKSSA-N	-1	0	299.827	3.097	20	30		CGEDRM
Cc1nsc(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1C#N	ZINC000593326622	347063881	/nfs/dbraw/zinc/06/38/81/347063881.db2.gz	IEWDJHZNGSQTJL-DGCLKSJQSA-N	-1	0	299.355	3.048	20	30		CGEDRM
CC(C)C[C@H](CNc1cccc(F)c1C#N)CC(=O)[O-]	ZINC000093396368	345877854	/nfs/dbraw/zinc/87/78/54/345877854.db2.gz	YBQYTQOJQMNRSF-NSHDSACASA-N	-1	0	278.327	3.246	20	30		CGEDRM
N#Cc1c(NC[C@@H](C(=O)[O-])C2CCC2)cccc1C(F)F	ZINC000595977144	347373547	/nfs/dbraw/zinc/37/35/47/347373547.db2.gz	FQZLIYNINFBHBK-GFCCVEGCSA-N	-1	0	294.301	3.409	20	30		CGEDRM
Cc1cccc(-c2nc(=NCCCCC#N)s[n-]2)c1	ZINC000601113514	347871108	/nfs/dbraw/zinc/87/11/08/347871108.db2.gz	HNWBCGWVIYYXSO-UHFFFAOYSA-N	-1	0	272.377	3.041	20	30		CGEDRM
Cc1[n-]n(-c2nc3ccccc3cc2C)c(=O)c1CCC#N	ZINC000601950064	347928635	/nfs/dbraw/zinc/92/86/35/347928635.db2.gz	TWHFEFBAPAIDAN-CQSZACIVSA-N	-1	0	292.342	3.186	20	30		CGEDRM
CCCCc1[n-]n(-c2ccc(C#N)cc2)c(=O)c1C	ZINC000601930097	347924890	/nfs/dbraw/zinc/92/48/90/347924890.db2.gz	AHYQEKFTRMJNMK-NSHDSACASA-N	-1	0	255.321	3.087	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C)cc2Cl)c(=O)c1CCC#N	ZINC000601933642	347925713	/nfs/dbraw/zinc/92/57/13/347925713.db2.gz	DPQDKFNHSGHAEZ-LLVKDONJSA-N	-1	0	275.739	3.291	20	30		CGEDRM
C=CCC1(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCCC1	ZINC000630291306	350821209	/nfs/dbraw/zinc/82/12/09/350821209.db2.gz	AFLCKRPHENPGOQ-KGLIPLIRSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000630320430	350823218	/nfs/dbraw/zinc/82/32/18/350823218.db2.gz	WKSDCHSXIVMPRW-HNNXBMFYSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000630314913	350823395	/nfs/dbraw/zinc/82/33/95/350823395.db2.gz	WPSRFQURRLWZOY-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
N#Cc1ccnc(/C=C/c2cc(F)c([O-])c(F)c2)c1	ZINC000336493758	213367551	/nfs/dbraw/zinc/36/75/51/213367551.db2.gz	XPTRYTIZFYXXSK-OWOJBTEDSA-N	-1	0	258.227	3.107	20	30		CGEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[n-]c1C#N	ZINC000329230511	303215860	/nfs/dbraw/zinc/21/58/60/303215860.db2.gz	DNRTYHONKAFZJB-SDDRHHMPSA-N	-1	0	297.362	3.348	20	30		CGEDRM
C=CC[C@@H](C(=O)[N-]OC1CCCC1)c1ccccc1	ZINC000275377637	193014785	/nfs/dbraw/zinc/01/47/85/193014785.db2.gz	WTVMGCVGVKAUTR-OAHLLOKOSA-N	-1	0	259.349	3.337	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1	ZINC000033374246	368963573	/nfs/dbraw/zinc/96/35/73/368963573.db2.gz	JOAXGODDHKAEDJ-YWEYNIOJSA-N	-1	0	272.275	3.436	20	30		CGEDRM
CCc1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1	ZINC000065042096	369663693	/nfs/dbraw/zinc/66/36/93/369663693.db2.gz	DWMKDCZRYYAKHJ-VIFPVBQESA-N	-1	0	296.355	3.072	20	30		CGEDRM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C(C)C)c1C	ZINC000069603949	369764943	/nfs/dbraw/zinc/76/49/43/369764943.db2.gz	RTFAVEINZHGZAM-UHFFFAOYSA-N	-1	0	283.393	3.221	20	30		CGEDRM
Cc1ccsc1S(=O)(=O)[N-]c1cccc(C)c1C#N	ZINC000343850620	216948283	/nfs/dbraw/zinc/94/82/83/216948283.db2.gz	YQCAYUDXONGJCR-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430623939	372392574	/nfs/dbraw/zinc/39/25/74/372392574.db2.gz	HLCTXSGMBXDMEO-VIFPVBQESA-N	-1	0	289.360	3.227	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)c([O-])c1	ZINC000176953909	373643137	/nfs/dbraw/zinc/64/31/37/373643137.db2.gz	VFPHKQIJGVLUPV-QPJJXVBHSA-N	-1	0	286.331	3.074	20	30		CGEDRM
CCC(CC)(CC(=O)Nc1cc(C)cc(C#N)c1)C(=O)[O-]	ZINC000308092274	374160990	/nfs/dbraw/zinc/16/09/90/374160990.db2.gz	ODNVDUBXEWKJKO-UHFFFAOYSA-N	-1	0	288.347	3.086	20	30		CGEDRM
C=CC[C@H](C)[NH2+]Cc1cccc(O)c1Br	ZINC000314936781	374323450	/nfs/dbraw/zinc/32/34/50/374323450.db2.gz	AROUXBLJQGOEHB-VIFPVBQESA-N	-1	0	270.170	3.209	20	30		CGEDRM
CC[C@H](CC#N)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000183910350	374472553	/nfs/dbraw/zinc/47/25/53/374472553.db2.gz	IZPBGYZUYNXGFL-MRVPVSSYSA-N	-1	0	287.146	3.121	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1	ZINC000188879514	375286550	/nfs/dbraw/zinc/28/65/50/375286550.db2.gz	XNRMXZHNGNIXGI-CVEARBPZSA-N	-1	0	289.375	3.311	20	30		CGEDRM
Cc1cc(C)cc(N(C)C(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000190841664	375542650	/nfs/dbraw/zinc/54/26/50/375542650.db2.gz	RYQIKVUKWFTRBU-UHFFFAOYSA-N	-1	0	280.327	3.157	20	30		CGEDRM
N#Cc1cscc1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000334266143	206281464	/nfs/dbraw/zinc/28/14/64/206281464.db2.gz	YUFIWWSDGOFHSP-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
N#Cc1cccc(CNCc2cccc(O)c2Cl)c1	ZINC000336887306	376018400	/nfs/dbraw/zinc/01/84/00/376018400.db2.gz	CWDWQFFUGOZJJU-UHFFFAOYSA-N	-1	0	272.735	3.207	20	30		CGEDRM
Cc1sc(/C=C/c2ccc(F)c(C#N)c2)nc1C(=O)[O-]	ZINC000339113520	376687913	/nfs/dbraw/zinc/68/79/13/376687913.db2.gz	DOPVIUXRKDSRLC-HWKANZROSA-N	-1	0	288.303	3.331	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000274489019	378840411	/nfs/dbraw/zinc/84/04/11/378840411.db2.gz	JRSCMVPPRXKEDM-JTQLQIEISA-N	-1	0	261.321	3.136	20	30		CGEDRM
CCC[C@@H](CC(C)C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410544661	380103996	/nfs/dbraw/zinc/10/39/96/380103996.db2.gz	WMLTVROOJWHSLH-ZDUSSCGKSA-N	-1	0	290.411	3.158	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)CC(C)(C)C(=O)[O-]	ZINC000519668554	542737874	/nfs/dbraw/zinc/73/78/74/542737874.db2.gz	PBWNTODMWQQMHF-UHFFFAOYSA-N	-1	0	281.396	3.082	20	30		CGEDRM
CCc1cc(=O)[nH]c(S[C@@H](C)c2cccc(C#N)c2)n1	ZINC000195071507	392954304	/nfs/dbraw/zinc/95/43/04/392954304.db2.gz	FOJHZLUHLAWCTJ-JTQLQIEISA-N	-1	0	285.372	3.057	20	30		CGEDRM
CC[C@H](C)[C@H](Nc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000416403499	393309143	/nfs/dbraw/zinc/30/91/43/393309143.db2.gz	ZNYAYNLWGAURNP-BONVTDFDSA-N	-1	0	283.331	3.018	20	30		CGEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000007056942	170264861	/nfs/dbraw/zinc/26/48/61/170264861.db2.gz	BRWNQVQQNLPFIF-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
C=CCCOCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000680942071	543748011	/nfs/dbraw/zinc/74/80/11/543748011.db2.gz	JWRQZCFXDGORFA-UHFFFAOYSA-N	-1	0	290.146	3.230	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1ccc2ccccc2n1	ZINC000683689375	543932018	/nfs/dbraw/zinc/93/20/18/543932018.db2.gz	UBCMLVMRGCVRMD-LLVKDONJSA-N	-1	0	279.324	3.181	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1	ZINC000654982290	419012484	/nfs/dbraw/zinc/01/24/84/419012484.db2.gz	CNMZUZPESGMVCU-VIFPVBQESA-N	-1	0	290.344	3.358	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)cc(F)c2)n1	ZINC000336169678	228202968	/nfs/dbraw/zinc/20/29/68/228202968.db2.gz	XZSIAWCLIDPWJD-LBPRGKRZSA-N	-1	0	274.320	3.389	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000178318150	261385651	/nfs/dbraw/zinc/38/56/51/261385651.db2.gz	AXWQSCBWOPGGRY-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC[C@H]2CCCCO2)c1	ZINC000184306928	262015645	/nfs/dbraw/zinc/01/56/45/262015645.db2.gz	VFWJAMRAEWBDNN-DSQDWWTGSA-N	-1	0	292.335	3.069	20	30		CGEDRM
C=C[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-]	ZINC000340879634	263311212	/nfs/dbraw/zinc/31/12/12/263311212.db2.gz	OQJBZYHQKASZAI-LBPRGKRZSA-N	-1	0	299.374	3.006	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ns1	ZINC000519581768	265478610	/nfs/dbraw/zinc/47/86/10/265478610.db2.gz	QWJBNEMTCJPGME-VIFPVBQESA-N	-1	0	283.312	3.083	20	30		CGEDRM
C[C@H](C(=O)[N-]S(C)(=O)=O)c1c(Cl)cccc1Cl	ZINC000071892358	297944390	/nfs/dbraw/zinc/94/43/90/297944390.db2.gz	WYKYDVPGTNBOBG-LURJTMIESA-N	-1	0	296.175	3.013	20	30		CGEDRM
CC(=Cc1ccccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000571145965	322291099	/nfs/dbraw/zinc/29/10/99/322291099.db2.gz	IBBRKFKSUSRWOZ-VQHVLOKHSA-N	-1	0	285.734	3.164	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000184554589	329260083	/nfs/dbraw/zinc/26/00/83/329260083.db2.gz	NRQLPJFWVMBOJP-SECBINFHSA-N	-1	0	283.312	3.083	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000263026400	330039318	/nfs/dbraw/zinc/03/93/18/330039318.db2.gz	MMOKYMUDJIHNPY-ZFWWWQNUSA-N	-1	0	289.375	3.148	20	30		CGEDRM
Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000429731249	330554003	/nfs/dbraw/zinc/55/40/03/330554003.db2.gz	JWBYOXLTJVTINQ-NSHDSACASA-N	-1	0	277.283	3.021	20	30		CGEDRM
CC#CCCCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436647320	330682069	/nfs/dbraw/zinc/68/20/69/330682069.db2.gz	QKJLIDSJUDBNII-UHFFFAOYSA-N	-1	0	273.332	3.117	20	30		CGEDRM
CC#CCCSc1n[n-]c(=NC2CCCCC2)s1	ZINC000462372663	331320748	/nfs/dbraw/zinc/32/07/48/331320748.db2.gz	ZHJGVWZBWBTXFC-UHFFFAOYSA-N	-1	0	281.450	3.210	20	30		CGEDRM
Cc1ccncc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000492256317	332389354	/nfs/dbraw/zinc/38/93/54/332389354.db2.gz	GNKOQUSMFJPGNX-NSHDSACASA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000540703956	333742580	/nfs/dbraw/zinc/74/25/80/333742580.db2.gz	SYVTYRDSETZFSR-UHFFFAOYSA-N	-1	0	279.380	3.049	20	30		CGEDRM
N#Cc1ccc(CNc2ccc(CCC(=O)[O-])cc2)c(F)c1	ZINC000738433077	571745637	/nfs/dbraw/zinc/74/56/37/571745637.db2.gz	WLBSXQMWDNSWRI-UHFFFAOYSA-N	-1	0	298.317	3.327	20	30		CGEDRM
Cc1ccc(CC(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000748411812	571677014	/nfs/dbraw/zinc/67/70/14/571677014.db2.gz	ZBRQXRAFXRSWFC-UHFFFAOYSA-N	-1	0	280.327	3.062	20	30		CGEDRM
COc1cccc(/C=N/[C@H](CC(=O)[O-])c2ccccc2)c1O	ZINC000738095863	572364633	/nfs/dbraw/zinc/36/46/33/572364633.db2.gz	KKIBTWZLFZQFJL-XWAFYUISSA-N	-1	0	299.326	3.036	20	30		CGEDRM
Cc1cc(NC(=O)C2(C#N)CCCCC2)sc1C(=O)[O-]	ZINC000738422656	572374669	/nfs/dbraw/zinc/37/46/69/572374669.db2.gz	NLSOFVVRUMAQPR-UHFFFAOYSA-N	-1	0	292.360	3.167	20	30		CGEDRM
Cc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C	ZINC000738627146	572383422	/nfs/dbraw/zinc/38/34/22/572383422.db2.gz	GLHPKGGBPCRNGM-INIZCTEOSA-N	-1	0	280.327	3.413	20	30		CGEDRM
Cc1ccc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nc1	ZINC000738660891	572386065	/nfs/dbraw/zinc/38/60/65/572386065.db2.gz	XTAHNFXGQKECFM-CQSZACIVSA-N	-1	0	284.340	3.180	20	30		CGEDRM
N#Cc1ccccc1SCc1ccoc1C(=O)[O-]	ZINC000739141894	572402782	/nfs/dbraw/zinc/40/27/82/572402782.db2.gz	CJUWNPRIKWWMLU-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
O=C([O-])c1ccc2[nH]cc(C=NNc3cccc(F)c3)c2c1	ZINC000740190766	572435534	/nfs/dbraw/zinc/43/55/34/572435534.db2.gz	REERDERWJDZEFF-UHFFFAOYSA-N	-1	0	297.289	3.451	20	30		CGEDRM
N#Cc1ccc(SCC2CCN(C(=O)[O-])CC2)c(F)c1	ZINC000740320127	572439762	/nfs/dbraw/zinc/43/97/62/572439762.db2.gz	HSGPWBFNXPRKDS-UHFFFAOYSA-N	-1	0	294.351	3.179	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2nccc3ccccc32)c1	ZINC000740760625	572455598	/nfs/dbraw/zinc/45/55/98/572455598.db2.gz	ZANKJGBWXLFBIM-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C=CCCCOC(=O)c1cc(-c2ccc(C)o2)[nH]n1	ZINC000735529471	572727870	/nfs/dbraw/zinc/72/78/70/572727870.db2.gz	BQXNZBLZKMKTRZ-UHFFFAOYSA-N	-1	0	260.293	3.101	20	30		CGEDRM
C#CCOc1ccc(F)cc1NCc1cccc(C(=O)[O-])c1	ZINC000736088843	572767937	/nfs/dbraw/zinc/76/79/37/572767937.db2.gz	FGDNBAUUUSVWBI-UHFFFAOYSA-N	-1	0	299.301	3.148	20	30		CGEDRM
C=CCCNc1cc(C(=O)[O-])c(F)cc1Br	ZINC000736102133	572768385	/nfs/dbraw/zinc/76/83/85/572768385.db2.gz	BAIQHKGXLCIIJX-UHFFFAOYSA-N	-1	0	288.116	3.274	20	30		CGEDRM
CC(C)C[C@H](C/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000736404046	572787614	/nfs/dbraw/zinc/78/76/14/572787614.db2.gz	OHYUDQXGACLUOK-PFJSLNBISA-N	-1	0	283.755	3.211	20	30		CGEDRM
CCCCCCCCCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736984344	572832384	/nfs/dbraw/zinc/83/23/84/572832384.db2.gz	XIIQEHOLTLNNMD-CQSZACIVSA-N	-1	0	298.427	3.386	20	30		CGEDRM
CCOc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737212213	572865922	/nfs/dbraw/zinc/86/59/22/572865922.db2.gz	BJWUAMCLAATFIG-MRXNPFEDSA-N	-1	0	296.326	3.195	20	30		CGEDRM
O=C(/C=C/c1ccc(Cl)nc1)c1ccc([O-])c(F)c1	ZINC000748999507	572987953	/nfs/dbraw/zinc/98/79/53/572987953.db2.gz	YRJYAJPRVYAWNH-DAFODLJHSA-N	-1	0	277.682	3.476	20	30		CGEDRM
COc1cccc(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000749860360	573048817	/nfs/dbraw/zinc/04/88/17/573048817.db2.gz	YUYKVBXLGMVHOH-UHFFFAOYSA-N	-1	0	278.258	3.125	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000044750585	599820763	/nfs/dbraw/zinc/82/07/63/599820763.db2.gz	SRQCGTSHCLFGLR-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000405458122	600267893	/nfs/dbraw/zinc/26/78/93/600267893.db2.gz	UQRKCKPJAPVYMC-AWEZNQCLSA-N	-1	0	295.423	3.450	20	30		CGEDRM
C=CCOc1ccc(OCc2cc(C(=O)[O-])oc2C)cc1	ZINC000825698827	600808251	/nfs/dbraw/zinc/80/82/51/600808251.db2.gz	MJYTUNSJGNVMKW-UHFFFAOYSA-N	-1	0	288.299	3.430	20	30		CGEDRM
CCCC[C@@H](Sc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000829296789	600840946	/nfs/dbraw/zinc/84/09/46/600840946.db2.gz	YSTWTRRARCEKJD-GFCCVEGCSA-N	-1	0	267.325	3.433	20	30		CGEDRM
C=CCCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000825671544	601126662	/nfs/dbraw/zinc/12/66/62/601126662.db2.gz	SNYOHKWLZNGAIK-UHFFFAOYSA-N	-1	0	267.350	3.358	20	30		CGEDRM
Cc1ccc(NCc2ccccc2C#N)cc1C(=O)[O-]	ZINC000832951501	601301963	/nfs/dbraw/zinc/30/19/63/601301963.db2.gz	GGOUELQETNYSGL-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
N#Cc1cccc([C@H](Nc2ccc3[nH]ccc3c2)C(=O)[O-])c1	ZINC000833075969	601305833	/nfs/dbraw/zinc/30/58/33/601305833.db2.gz	PCYSYEXFPWENDW-INIZCTEOSA-N	-1	0	291.310	3.277	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1	ZINC000829618544	601444484	/nfs/dbraw/zinc/44/44/84/601444484.db2.gz	DZPVOGIDSHDNGB-NTMALXAHSA-N	-1	0	299.326	3.330	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NCCCC(C)(C)C#N	ZINC000832915645	601553349	/nfs/dbraw/zinc/55/33/49/601553349.db2.gz	MFAMEADJWYXKQM-UHFFFAOYSA-N	-1	0	260.337	3.435	20	30		CGEDRM
C[C@@H](CC(=O)[O-])SCC#Cc1ccc(Cl)cc1	ZINC000827385043	601577164	/nfs/dbraw/zinc/57/71/64/601577164.db2.gz	DGPPOGFQMSFXCB-JTQLQIEISA-N	-1	0	268.765	3.288	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1CON=Cc1ccc(F)cc1	ZINC000833031264	601629012	/nfs/dbraw/zinc/62/90/12/601629012.db2.gz	KCKHCNZTOKXIHS-UHFFFAOYSA-N	-1	0	293.319	3.445	20	30		CGEDRM
CCCOc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829528460	601791883	/nfs/dbraw/zinc/79/18/83/601791883.db2.gz	ZFTWFFGLQAJFJC-FPYGCLRLSA-N	-1	0	299.326	3.398	20	30		CGEDRM
CCOc1cccc(/C=N/Cc2cccc(C(=O)[O-])c2)c1O	ZINC000830100134	601845252	/nfs/dbraw/zinc/84/52/52/601845252.db2.gz	WUIZJGOEPNITHU-WOJGMQOQSA-N	-1	0	299.326	3.108	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(Cl)cc2C)c1=O	ZINC000899348322	620652421	/nfs/dbraw/zinc/65/24/21/620652421.db2.gz	UYOXIDCHNUQHSG-GFCCVEGCSA-N	-1	0	260.724	3.010	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000109061796	602004570	/nfs/dbraw/zinc/00/45/70/602004570.db2.gz	MTBSMVQAYUFGKS-HNNXBMFYSA-N	-1	0	269.385	3.060	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1	ZINC000238090826	602079478	/nfs/dbraw/zinc/07/94/78/602079478.db2.gz	XPOKDENBAGVCSK-OAHLLOKOSA-N	-1	0	287.359	3.087	20	30		CGEDRM
N#Cc1cc(CNc2cccc(F)c2C(=O)[O-])ccc1F	ZINC000833068826	602102246	/nfs/dbraw/zinc/10/22/46/602102246.db2.gz	MLQCSLONGYRTHQ-UHFFFAOYSA-N	-1	0	288.253	3.147	20	30		CGEDRM
C=CCCCc1nc(-c2cccc(NC(=O)[O-])c2)no1	ZINC000823496505	604039330	/nfs/dbraw/zinc/03/93/30/604039330.db2.gz	KHKLUVLIZWKRBM-UHFFFAOYSA-N	-1	0	273.292	3.335	20	30		CGEDRM
O=C(/C=C\c1cnn(C2CCC2)c1)c1cc(F)ccc1[O-]	ZINC000899362145	620669095	/nfs/dbraw/zinc/66/90/95/620669095.db2.gz	LPIIBZHQRJBLJM-XQRVVYSFSA-N	-1	0	286.306	3.349	20	30		CGEDRM
N#Cc1ccc(N2CCC[C@@H]2CC(=O)[O-])cc1C(F)(F)F	ZINC000042162180	604469422	/nfs/dbraw/zinc/46/94/22/604469422.db2.gz	NXMXXWQPBUKEIB-SNVBAGLBSA-N	-1	0	298.264	3.021	20	30		CGEDRM
COc1ccc(C)cc1NCc1cccc(C(=O)[O-])c1C#N	ZINC000833730887	604539098	/nfs/dbraw/zinc/53/90/98/604539098.db2.gz	IUKIDJSTIXVJEC-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
CC(=NNCc1ccccc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814752438	604634833	/nfs/dbraw/zinc/63/48/33/604634833.db2.gz	MMBOGSZPIHUCED-ZDUSSCGKSA-N	-1	0	276.380	3.433	20	30		CGEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1	ZINC000763368015	604666069	/nfs/dbraw/zinc/66/60/69/604666069.db2.gz	IOHNMPXTCMSEQO-JTQLQIEISA-N	-1	0	287.294	3.120	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H](C)c1ccccc1	ZINC000763369705	604667026	/nfs/dbraw/zinc/66/70/26/604667026.db2.gz	JHYLEPDFFKTBEC-LLVKDONJSA-N	-1	0	283.331	3.371	20	30		CGEDRM
C[C@@H](CSCc1ccccc1C(C)(C)C#N)C(=O)[O-]	ZINC000827580767	604746327	/nfs/dbraw/zinc/74/63/27/604746327.db2.gz	GICAPGKKOYWIRN-NSHDSACASA-N	-1	0	277.389	3.442	20	30		CGEDRM
O=C([O-])Nc1cccc(NCC#Cc2ccc(F)cc2)c1	ZINC000833288309	604816766	/nfs/dbraw/zinc/81/67/66/604816766.db2.gz	CMLLNYODMNYJPV-UHFFFAOYSA-N	-1	0	284.290	3.379	20	30		CGEDRM
C=CCC[C@@H](C)OC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833373118	604991883	/nfs/dbraw/zinc/99/18/83/604991883.db2.gz	GEHJJYUQSRZBKU-SNVBAGLBSA-N	-1	0	263.293	3.288	20	30		CGEDRM
C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C#N)cc1	ZINC000833530806	605068621	/nfs/dbraw/zinc/06/86/21/605068621.db2.gz	UCVYSFSPEAYRFB-NSHDSACASA-N	-1	0	289.331	3.053	20	30		CGEDRM
Cc1cccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1	ZINC000023164430	605144603	/nfs/dbraw/zinc/14/46/03/605144603.db2.gz	KMGHQKNDOKXFNE-JXMROGBWSA-N	-1	0	296.322	3.355	20	30		CGEDRM
C[C@H]1C[C@H]1CN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605830	605156712	/nfs/dbraw/zinc/15/67/12/605156712.db2.gz	TUPNGXGMHYJKRY-YUMQZZPRSA-N	-1	0	252.701	3.092	20	30		CGEDRM
CC(C)CCN=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833482932	605156760	/nfs/dbraw/zinc/15/67/60/605156760.db2.gz	IJAWGYHXTQXLMC-UHFFFAOYSA-N	-1	0	254.717	3.482	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cccc2cnccc12	ZINC000782900156	605262509	/nfs/dbraw/zinc/26/25/09/605262509.db2.gz	GEAAMLBSMGEVST-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833371859	605280221	/nfs/dbraw/zinc/28/02/21/605280221.db2.gz	XWNOHWKXQZLYHQ-QMMMGPOBSA-N	-1	0	281.287	3.002	20	30		CGEDRM
O=C(/C=C/c1cnn(C2CCC2)c1)c1c([O-])cccc1F	ZINC000899389497	620684771	/nfs/dbraw/zinc/68/47/71/620684771.db2.gz	LMSQRMMGLKJCKU-BQYQJAHWSA-N	-1	0	286.306	3.349	20	30		CGEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000042233092	620702182	/nfs/dbraw/zinc/70/21/82/620702182.db2.gz	SUOBVJLMVIEQMV-UHFFFAOYSA-N	-1	0	289.356	3.451	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(F)cc1	ZINC000049417585	617607737	/nfs/dbraw/zinc/60/77/37/617607737.db2.gz	BOVJEQCMVKKZQU-JTQLQIEISA-N	-1	0	287.356	3.014	20	30		CGEDRM
C=CCCCN(CC)C(=O)c1cc(Cl)ccc1O	ZINC000890815078	617871029	/nfs/dbraw/zinc/87/10/29/617871029.db2.gz	UFRYOLRJTSFICY-UHFFFAOYSA-N	-1	0	267.756	3.474	20	30		CGEDRM
CO[C@H](C)CCC(=O)N(O)Cc1cccc2ccccc21	ZINC000900093987	620761447	/nfs/dbraw/zinc/76/14/47/620761447.db2.gz	FCMBDFBNVLBAOI-CYBMUJFWSA-N	-1	0	287.359	3.373	20	30		CGEDRM
CCCCc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049418034	618061393	/nfs/dbraw/zinc/06/13/93/618061393.db2.gz	UPDWJMPBVJIGMR-UHFFFAOYSA-N	-1	0	283.393	3.072	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Sc1ccccc1	ZINC000846545461	618092204	/nfs/dbraw/zinc/09/22/04/618092204.db2.gz	OKAKGFVTZCGHBY-YPMHNXCESA-N	-1	0	265.378	3.180	20	30		CGEDRM
Cc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022769040	618415337	/nfs/dbraw/zinc/41/53/37/618415337.db2.gz	HXRNCDFNARWNAC-MHWRWJLKSA-N	-1	0	270.288	3.228	20	30		CGEDRM
O=C(/C=C/c1cnn2ccccc12)c1cc(F)ccc1[O-]	ZINC000176955669	618770026	/nfs/dbraw/zinc/77/00/26/618770026.db2.gz	JDVSZCBJXBYTQF-GQCTYLIASA-N	-1	0	282.274	3.075	20	30		CGEDRM
CCc1cccc(CC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000162355757	619074764	/nfs/dbraw/zinc/07/47/64/619074764.db2.gz	HPQHLXDGTQJMDI-UHFFFAOYSA-N	-1	0	280.327	3.007	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518308	619502506	/nfs/dbraw/zinc/50/25/06/619502506.db2.gz	ZTSCCNXUYGBZAW-KHPPLWFESA-N	-1	0	267.350	3.134	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C=C(C)c1ccccc1	ZINC000048619388	619513466	/nfs/dbraw/zinc/51/34/66/619513466.db2.gz	ASPRJSMYZTWQKS-QXMHVHEDSA-N	-1	0	281.377	3.176	20	30		CGEDRM
C[C@@H](F)CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707297	620087687	/nfs/dbraw/zinc/08/76/87/620087687.db2.gz	UNHGVKASSXXJGC-UNDSANKCSA-N	-1	0	274.679	3.121	20	30		CGEDRM
CC(C[C@@H]1CCOC1)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000751517748	620187897	/nfs/dbraw/zinc/18/78/97/620187897.db2.gz	VKSNIOBRKQZLHU-JTQLQIEISA-N	-1	0	296.754	3.253	20	30		CGEDRM
CCCCCC[C@H](C)NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800814497	620357774	/nfs/dbraw/zinc/35/77/74/620357774.db2.gz	WOGXFJWAEIKDHY-NSHDSACASA-N	-1	0	279.384	3.304	20	30		CGEDRM
Cc1csc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000067734973	620376603	/nfs/dbraw/zinc/37/66/03/620376603.db2.gz	YNADZGSARLROAR-ISKYKNHCSA-N	-1	0	291.332	3.245	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1	ZINC000041664265	620570121	/nfs/dbraw/zinc/57/01/21/620570121.db2.gz	RKANJCUNLJZGLF-UHFFFAOYSA-N	-1	0	291.228	3.043	20	30		CGEDRM
O=C([N-]C1(C(F)(F)F)CCC(F)(F)CC1)C(F)(F)F	ZINC000899237452	620631087	/nfs/dbraw/zinc/63/10/87/620631087.db2.gz	NDDFIQVVUSJNIW-UHFFFAOYSA-N	-1	0	299.161	3.175	20	30		CGEDRM
CC1(C)CC2(CC(N=Nc3ccc(C(=O)[O-])cc3)C2)CO1	ZINC000901119619	620834159	/nfs/dbraw/zinc/83/41/59/620834159.db2.gz	OIFQYGZEMMYUAL-UHFFFAOYSA-N	-1	0	288.347	3.132	20	30		CGEDRM
C=CC(C)(C)CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000902014406	621100493	/nfs/dbraw/zinc/10/04/93/621100493.db2.gz	FDEAVWQPGWFENB-KBPBESRZSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=CC[C@@H](C)[C@@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC000905750071	622099929	/nfs/dbraw/zinc/09/99/29/622099929.db2.gz	CZWSCNXYLPLUSH-VXGBXAGGSA-N	-1	0	287.363	3.134	20	30		CGEDRM
Cc1ccccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000149019616	622113869	/nfs/dbraw/zinc/11/38/69/622113869.db2.gz	MCOTUYJADAGCEY-RMKNXTFCSA-N	-1	0	254.285	3.302	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000907572347	622301905	/nfs/dbraw/zinc/30/19/05/622301905.db2.gz	GWPUUASONHNAKB-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000907681780	622307206	/nfs/dbraw/zinc/30/72/06/622307206.db2.gz	RBFAQOASACGLLX-RYUDHWBXSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CC1(CC(=O)N[C@@H](CC(=C)Cl)C(=O)[O-])CCCCC1	ZINC000907743579	622309342	/nfs/dbraw/zinc/30/93/42/622309342.db2.gz	KIDQXYPRMBDUAJ-LBPRGKRZSA-N	-1	0	299.798	3.225	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000909223022	622408150	/nfs/dbraw/zinc/40/81/50/622408150.db2.gz	LUHKAFDMJFJCCW-OAHLLOKOSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1	ZINC000909273204	622410286	/nfs/dbraw/zinc/41/02/86/622410286.db2.gz	XZMCVSHPRPHBBP-UHFFFAOYSA-N	-1	0	279.723	3.333	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000909725748	622420211	/nfs/dbraw/zinc/42/02/11/622420211.db2.gz	RIIRTFXFFNPZOY-CYBMUJFWSA-N	-1	0	289.375	3.178	20	30		CGEDRM
C=C1CCC(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1	ZINC000910069652	622460020	/nfs/dbraw/zinc/46/00/20/622460020.db2.gz	MOAWWMCXPFPEMX-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000910474228	622487707	/nfs/dbraw/zinc/48/77/07/622487707.db2.gz	XVFVQYGPWHFQMK-UONOGXRCSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C#CCCCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910701178	622498517	/nfs/dbraw/zinc/49/85/17/622498517.db2.gz	QWJXSJDXRXZYFT-UHFFFAOYSA-N	-1	0	294.376	3.097	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1sccc1SC)C(=O)[O-]	ZINC000910913683	622508556	/nfs/dbraw/zinc/50/85/56/622508556.db2.gz	AJEYMLROQNHUPT-VIFPVBQESA-N	-1	0	299.417	3.009	20	30		CGEDRM
CCCON=C(C)c1cc(Br)cc(F)c1[O-]	ZINC000842551411	625573654	/nfs/dbraw/zinc/57/36/54/625573654.db2.gz	AGVFWZLGQVGUJB-UHFFFAOYSA-N	-1	0	290.132	3.444	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccsc2)c([O-])c1	ZINC000156620216	622830404	/nfs/dbraw/zinc/83/04/04/622830404.db2.gz	OQORHFPZBNFQQV-GORDUTHDSA-N	-1	0	260.314	3.358	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C/c2ccc(C#N)s2)c1	ZINC000156686053	622833554	/nfs/dbraw/zinc/83/35/54/622833554.db2.gz	KROMRHVEESNRFQ-FNORWQNLSA-N	-1	0	285.324	3.230	20	30		CGEDRM
CC[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000087509148	623085105	/nfs/dbraw/zinc/08/51/05/623085105.db2.gz	WOVDIYGIEYVJNK-MRVPVSSYSA-N	-1	0	286.253	3.100	20	30		CGEDRM
Cc1ncccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000171419750	623161198	/nfs/dbraw/zinc/16/11/98/623161198.db2.gz	DCIYXIDDJPMHPZ-GQCTYLIASA-N	-1	0	257.264	3.131	20	30		CGEDRM
COc1ccccc1C(C)=NNc1cccc(C(=O)[O-])c1	ZINC000916255296	624126477	/nfs/dbraw/zinc/12/64/77/624126477.db2.gz	PXWQECZNIOHLQZ-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
O=[N+]([O-])c1cc(C=NNc2ccc(F)cc2F)ccc1[O-]	ZINC000916251007	624131625	/nfs/dbraw/zinc/13/16/25/624131625.db2.gz	WRRXMWLTBTXTER-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000916870408	624220309	/nfs/dbraw/zinc/22/03/09/624220309.db2.gz	HOZWOQQQCMOWJG-HNNXBMFYSA-N	-1	0	293.322	3.211	20	30		CGEDRM
COc1ccccc1C=CC(=O)c1sccc1[O-]	ZINC000184516452	625243203	/nfs/dbraw/zinc/24/32/03/625243203.db2.gz	NZMCSWKUACJJFX-VOTSOKGWSA-N	-1	0	260.314	3.358	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096872	626130943	/nfs/dbraw/zinc/13/09/43/626130943.db2.gz	PHEYVYIOKNUPFT-CYBMUJFWSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=CCCOC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC000923131847	626132411	/nfs/dbraw/zinc/13/24/11/626132411.db2.gz	LCHKHYOFEVKKKT-UHFFFAOYSA-N	-1	0	298.364	3.223	20	30		CGEDRM
C[C@@H]1Cc2ccccc2C1N=Nc1ccc(C(=O)[O-])cc1	ZINC000751128115	626376773	/nfs/dbraw/zinc/37/67/73/626376773.db2.gz	WIVAEUREVKSZFU-LLVKDONJSA-N	-1	0	280.327	3.393	20	30		CGEDRM
CC1(C)CCC[C@H](C=NNc2cnnc([O-])c2Cl)C1	ZINC000752723749	626435925	/nfs/dbraw/zinc/43/59/25/626435925.db2.gz	NYQBHWTWVAJGCL-VIFPVBQESA-N	-1	0	282.775	3.450	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)nc1	ZINC000753539937	626454554	/nfs/dbraw/zinc/45/45/54/626454554.db2.gz	YQEQVJOVMXHWJP-LLVKDONJSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CCc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc1	ZINC000756900750	626740152	/nfs/dbraw/zinc/74/01/52/626740152.db2.gz	BSKNPMVLKUJSKP-UHFFFAOYSA-N	-1	0	298.342	3.402	20	30		CGEDRM
Cc1ncccc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000757475845	626782167	/nfs/dbraw/zinc/78/21/67/626782167.db2.gz	MXGLLVOBTBHEBE-PLNGDYQASA-N	-1	0	275.254	3.270	20	30		CGEDRM
CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1ccc(N)cc1C	ZINC000758081918	626826215	/nfs/dbraw/zinc/82/62/15/626826215.db2.gz	ACNTTZNHKWTUTI-UHFFFAOYSA-N	-1	0	283.331	3.112	20	30		CGEDRM
CC(=NNC1CC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000758133317	626829444	/nfs/dbraw/zinc/82/94/44/626829444.db2.gz	MDCOIIQHJKJNPQ-UHFFFAOYSA-N	-1	0	259.136	3.175	20	30		CGEDRM
COc1cccc2c1CCC2=NNc1ccccc1C(=O)[O-]	ZINC000759649040	626911589	/nfs/dbraw/zinc/91/15/89/626911589.db2.gz	SONCGZLZIIMFJS-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)ncn3C)c1	ZINC000761205002	627024592	/nfs/dbraw/zinc/02/45/92/627024592.db2.gz	JUNCOMCQXOQPLQ-VMPITWQZSA-N	-1	0	292.338	3.483	20	30		CGEDRM
CCCCCCCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000762227504	627102233	/nfs/dbraw/zinc/10/22/33/627102233.db2.gz	GWGWWSYZSWNYDG-CZUORRHYSA-N	-1	0	283.412	3.497	20	30		CGEDRM
C/C(=C\C(=O)Nc1cc(C#N)ccc1[O-])C(C)(C)C	ZINC000762818607	627125636	/nfs/dbraw/zinc/12/56/36/627125636.db2.gz	OURAHAVAZYHJDO-JXMROGBWSA-N	-1	0	258.321	3.195	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(OC)cc1	ZINC000763369650	627154243	/nfs/dbraw/zinc/15/42/43/627154243.db2.gz	YSGJAHNHEXFEED-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1	ZINC000765823417	627273737	/nfs/dbraw/zinc/27/37/37/627273737.db2.gz	DVPVUQRIQUGLAO-XQRVVYSFSA-N	-1	0	296.278	3.010	20	30		CGEDRM
Cc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1C#N	ZINC000766492330	627337640	/nfs/dbraw/zinc/33/76/40/627337640.db2.gz	WFDIGFKTIICVII-CLTKARDFSA-N	-1	0	279.295	3.174	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NO[C@H]1CCCCO1	ZINC000768367463	627476507	/nfs/dbraw/zinc/47/65/07/627476507.db2.gz	RJIGFOAYGOOTLN-NSHDSACASA-N	-1	0	273.691	3.062	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)c([O-])c1	ZINC000770572875	627627442	/nfs/dbraw/zinc/62/74/42/627627442.db2.gz	TWMPGXYKELWHDF-CLTKARDFSA-N	-1	0	297.285	3.308	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C\c2ccc(F)c(C#N)c2)c1	ZINC000770572646	627627618	/nfs/dbraw/zinc/62/76/18/627627618.db2.gz	QOCGHNZQKMZGSV-UTCJRWHESA-N	-1	0	297.285	3.308	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)c([O-])c1	ZINC000772804602	627824613	/nfs/dbraw/zinc/82/46/13/627824613.db2.gz	YQVKMQZQQUTHAE-DAXSKMNVSA-N	-1	0	297.285	3.308	20	30		CGEDRM
N#Cc1ccc(C=CC(=O)c2sccc2[O-])c(F)c1	ZINC000773142768	627861573	/nfs/dbraw/zinc/86/15/73/627861573.db2.gz	FHCLYPLHEODEBO-ONEGZZNKSA-N	-1	0	273.288	3.361	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Oc3cc(F)ccc3C2=O)c1	ZINC000773169930	627864760	/nfs/dbraw/zinc/86/47/60/627864760.db2.gz	BJCIUSYQHGCJSD-AUWJEWJLSA-N	-1	0	284.242	3.140	20	30		CGEDRM
COc1cccc2c1C/C(=C/c1cccc(C(=O)[O-])c1)C2=O	ZINC000774137484	627949795	/nfs/dbraw/zinc/94/97/95/627949795.db2.gz	WNXHSIWZKBRVLX-LCYFTJDESA-N	-1	0	294.306	3.216	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccsc2)c1	ZINC000774140048	627950151	/nfs/dbraw/zinc/95/01/51/627950151.db2.gz	RJOUMCVAMMYAEB-PLNGDYQASA-N	-1	0	258.298	3.342	20	30		CGEDRM
Cc1cc2ccccc2nc1NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000776783979	628231738	/nfs/dbraw/zinc/23/17/38/628231738.db2.gz	FFWORDZMDKWKST-UHFFFAOYSA-N	-1	0	294.314	3.016	20	30		CGEDRM
C#CCOc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1C=O	ZINC000874970712	634662215	/nfs/dbraw/zinc/66/22/15/634662215.db2.gz	XIKXPFCJMFTJRL-UHFFFAOYSA-N	-1	0	298.269	3.015	20	30		CGEDRM
CC1=C[C@H](C)C[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000789636032	629156622	/nfs/dbraw/zinc/15/66/22/629156622.db2.gz	FVZXTAYSCQEGBE-JQWIXIFHSA-N	-1	0	273.336	3.170	20	30		CGEDRM
C#C[C@@H](CCC)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790098024	629183857	/nfs/dbraw/zinc/18/38/57/629183857.db2.gz	DHBHYPXJIXTFCQ-UXYFDLPDSA-N	-1	0	280.711	3.175	20	30		CGEDRM
C#C[C@H](CCC)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000791737695	629297851	/nfs/dbraw/zinc/29/78/51/629297851.db2.gz	GRJJWWVRVRHWKD-SECBINFHSA-N	-1	0	286.158	3.231	20	30		CGEDRM
CC[C@H](NN=C(C)[C@H]1C[C@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793054889	629405836	/nfs/dbraw/zinc/40/58/36/629405836.db2.gz	HVNMUEAPQWXRPX-DYEKYZERSA-N	-1	0	294.782	3.272	20	30		CGEDRM
CC[C@@H](NN=Cc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-]	ZINC000793073373	629408159	/nfs/dbraw/zinc/40/81/59/629408159.db2.gz	UHNBXDZVAMCDHQ-CQSZACIVSA-N	-1	0	286.331	3.042	20	30		CGEDRM
CCC[C@](C)(CC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793734513	629498822	/nfs/dbraw/zinc/49/88/22/629498822.db2.gz	DCTMIQMPTCOJGM-HNNXBMFYSA-N	-1	0	260.337	3.419	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cscn1	ZINC000794945593	629604704	/nfs/dbraw/zinc/60/47/04/629604704.db2.gz	ISZXROKJUGDGAG-ARJAWSKDSA-N	-1	0	287.340	3.354	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)c1cccc(C(C)C)c1)C(=O)[O-]	ZINC000864186909	629794687	/nfs/dbraw/zinc/79/46/87/629794687.db2.gz	ZIOUBTBBIGNCAJ-CYBMUJFWSA-N	-1	0	295.766	3.136	20	30		CGEDRM
CC(C)C[C@@H](C)C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000799107061	630142994	/nfs/dbraw/zinc/14/29/94/630142994.db2.gz	TTYPKKHVYDRGLJ-LLVKDONJSA-N	-1	0	289.404	3.201	20	30		CGEDRM
CC1(C)CC=C(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000836780254	634800551	/nfs/dbraw/zinc/80/05/51/634800551.db2.gz	PMBIORMAOYRGFH-UHFFFAOYSA-N	-1	0	270.332	3.339	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccc(Cl)s2)c1	ZINC000801178944	630326988	/nfs/dbraw/zinc/32/69/88/630326988.db2.gz	PRNONMUFTHADOM-UHFFFAOYSA-N	-1	0	292.747	3.160	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000806559000	630566763	/nfs/dbraw/zinc/56/67/63/630566763.db2.gz	RKNRBQYPQOGVJZ-SNAWJCMRSA-N	-1	0	283.308	3.214	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NN[C@@H]1CCSC1	ZINC000808000945	630614607	/nfs/dbraw/zinc/61/46/07/630614607.db2.gz	WVLHBEBKACQSLJ-SECBINFHSA-N	-1	0	291.203	3.128	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000811628406	631094108	/nfs/dbraw/zinc/09/41/08/631094108.db2.gz	WUMAUEKOONYOMR-CABCVRRESA-N	-1	0	293.407	3.296	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2c(Cl)cccc2Cl)CC1	ZINC000837047417	634847684	/nfs/dbraw/zinc/84/76/84/634847684.db2.gz	FGRPYCFJPVOHTE-UHFFFAOYSA-N	-1	0	286.158	3.259	20	30		CGEDRM
CCCC(=NNc1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000814680902	631620412	/nfs/dbraw/zinc/62/04/12/631620412.db2.gz	NKCSDEXLDHEHFW-UHFFFAOYSA-N	-1	0	283.331	3.396	20	30		CGEDRM
COCC(Cc1ccccc1)N=Nc1cccc(C(=O)[O-])c1	ZINC000814687545	631622703	/nfs/dbraw/zinc/62/27/03/631622703.db2.gz	KUHCZPLKEOSDRI-UHFFFAOYSA-N	-1	0	298.342	3.042	20	30		CGEDRM
Cc1cccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814687568	631623040	/nfs/dbraw/zinc/62/30/40/631623040.db2.gz	LQULEQDXQGJREY-NEPJUHHUSA-N	-1	0	260.337	3.284	20	30		CGEDRM
Cc1cc(N=NC(C)CCCCCCC(=O)[O-])nc(C)n1	ZINC000814807457	631644792	/nfs/dbraw/zinc/64/47/92/631644792.db2.gz	WXQOCYJVQDKDGF-UHFFFAOYSA-N	-1	0	292.383	3.306	20	30		CGEDRM
CC(=NOC1CCCC1)c1cc(C(=O)[O-])cs1	ZINC000814895470	631668451	/nfs/dbraw/zinc/66/84/51/631668451.db2.gz	XZLXOGADOAAJJX-UHFFFAOYSA-N	-1	0	253.323	3.130	20	30		CGEDRM
COc1cccc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])n1	ZINC000814900237	631670536	/nfs/dbraw/zinc/67/05/36/631670536.db2.gz	JTQMLODXDOSNCT-NSHDSACASA-N	-1	0	293.367	3.159	20	30		CGEDRM
Cc1cccc(F)c1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814904988	631674682	/nfs/dbraw/zinc/67/46/82/631674682.db2.gz	JBQHESVIWCNTNN-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
CC(=NNCCC(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814920210	631681679	/nfs/dbraw/zinc/68/16/79/631681679.db2.gz	FCCRJCDZCHZUJJ-ZJUUUORDSA-N	-1	0	294.317	3.041	20	30		CGEDRM
CCc1cccc(C)c1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814923762	631683656	/nfs/dbraw/zinc/68/36/56/631683656.db2.gz	YIMZGSWXCUINJP-UHFFFAOYSA-N	-1	0	271.320	3.030	20	30		CGEDRM
C[C@@H]1C(=NOC2CCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814936510	631690362	/nfs/dbraw/zinc/69/03/62/631690362.db2.gz	WLSPQUMQCYUYFS-KOLCDFICSA-N	-1	0	253.342	3.068	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@H](C)C(C)(C)C	ZINC000814937428	631691797	/nfs/dbraw/zinc/69/17/97/631691797.db2.gz	GEIRPJRCZAAPEZ-GFCCVEGCSA-N	-1	0	276.380	3.360	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(Cl)n2)CC[C@@H]1CC(=O)[O-]	ZINC000814939479	631692841	/nfs/dbraw/zinc/69/28/41/631692841.db2.gz	RLNFRNGKIMXFMJ-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CC[C@H](C)CON=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814939431	631692969	/nfs/dbraw/zinc/69/29/69/631692969.db2.gz	QLGFEXHPXLTKMM-VIFPVBQESA-N	-1	0	269.728	3.435	20	30		CGEDRM
C#C[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000824263836	633219765	/nfs/dbraw/zinc/21/97/65/633219765.db2.gz	GXJPJOIXLKLBLT-VIFPVBQESA-N	-1	0	298.169	3.184	20	30		CGEDRM
C=CCC[C@H](NCc1cccc(Cl)c1[O-])C(=O)OCC	ZINC000825118360	633330262	/nfs/dbraw/zinc/33/02/62/633330262.db2.gz	RWBYNPGFKRWLLV-ZDUSSCGKSA-N	-1	0	297.782	3.033	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCc3sccc32)c1	ZINC000870691303	633627301	/nfs/dbraw/zinc/62/73/01/633627301.db2.gz	IIPNVVZROXRNQW-AWEZNQCLSA-N	-1	0	298.367	3.150	20	30		CGEDRM
Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692218	633628186	/nfs/dbraw/zinc/62/81/86/633628186.db2.gz	YRUPTWMGQDOGCB-KBPBESRZSA-N	-1	0	298.367	3.142	20	30		CGEDRM
O=C([O-])c1cc(N=NC2CCC[C@H]2F)ccc1Cl	ZINC000872325096	634109741	/nfs/dbraw/zinc/10/97/41/634109741.db2.gz	CBPMLPNNIOLCHQ-SNVBAGLBSA-N	-1	0	270.691	3.328	20	30		CGEDRM
CC[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835006715	634311897	/nfs/dbraw/zinc/31/18/97/634311897.db2.gz	IBKXCRJTIONLGB-SNVBAGLBSA-N	-1	0	261.325	3.148	20	30		CGEDRM
C[C@@]1(CN=Nc2ccc(C(=O)[O-])cc2F)CCCS1	ZINC000835007930	634312648	/nfs/dbraw/zinc/31/26/48/634312648.db2.gz	CFBIVFOLDQMHFE-ZDUSSCGKSA-N	-1	0	282.340	3.207	20	30		CGEDRM
CC(C)[C@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835007965	634312880	/nfs/dbraw/zinc/31/28/80/634312880.db2.gz	DDZANIPPBMUGPY-SNVBAGLBSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C[C@@H]1CC[C@H](C)C(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835009965	634314622	/nfs/dbraw/zinc/31/46/22/634314622.db2.gz	JKYUBBUTWMHDLH-ZJUUUORDSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC[C@@H]1C[C@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010269	634314646	/nfs/dbraw/zinc/31/46/46/634314646.db2.gz	VQQGQTJNHFVYOV-ZYHUDNBSSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCSCCCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011327	634315407	/nfs/dbraw/zinc/31/54/07/634315407.db2.gz	DRONDDCQVRCHHU-UHFFFAOYSA-N	-1	0	270.329	3.065	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC3(CCC3)C2)c(F)c1	ZINC000835012806	634316998	/nfs/dbraw/zinc/31/69/98/634316998.db2.gz	VQAJODRHHJBPQN-UHFFFAOYSA-N	-1	0	262.284	3.256	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cs1	ZINC000835057881	634340968	/nfs/dbraw/zinc/34/09/68/634340968.db2.gz	VEWZNAKPLXNLRS-LBPRGKRZSA-N	-1	0	292.404	3.076	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)[C@H]1CC1(C)C	ZINC000841630802	635201924	/nfs/dbraw/zinc/20/19/24/635201924.db2.gz	DEPUYVKLWNCEDI-SNVBAGLBSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C=CCO[N-]C(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1	ZINC000880229236	635943144	/nfs/dbraw/zinc/94/31/44/635943144.db2.gz	SWRKHFMSOTUCJI-HAQNSBGRSA-N	-1	0	294.420	3.213	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)o1	ZINC000845840954	636106638	/nfs/dbraw/zinc/10/66/38/636106638.db2.gz	OPHFCGANDAZJOM-CQSZACIVSA-N	-1	0	293.322	3.211	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc(CC)cc1	ZINC000846538308	636195088	/nfs/dbraw/zinc/19/50/88/636195088.db2.gz	UWLPQQMJIOYJQQ-UHFFFAOYSA-N	-1	0	261.365	3.151	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2Cl)CCC1	ZINC000846553440	636200934	/nfs/dbraw/zinc/20/09/34/636200934.db2.gz	ATZAZKWMBVXUCS-NSHDSACASA-N	-1	0	279.767	3.384	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(F)c1	ZINC000129508284	636289456	/nfs/dbraw/zinc/28/94/56/636289456.db2.gz	JVBUFVZKSSLJFD-FNORWQNLSA-N	-1	0	287.246	3.336	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000129508057	636289814	/nfs/dbraw/zinc/28/98/14/636289814.db2.gz	KQEQJBIFTYXEHT-XBXARRHUSA-N	-1	0	294.266	3.068	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c([O-])c1	ZINC000849247558	636779819	/nfs/dbraw/zinc/77/98/19/636779819.db2.gz	UZFLCDVKKQBUIU-BQYQJAHWSA-N	-1	0	282.343	3.208	20	30		CGEDRM
N#Cc1cccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000136512985	637387971	/nfs/dbraw/zinc/38/79/71/637387971.db2.gz	REDIWJTXKNQSFJ-GQCTYLIASA-N	-1	0	294.266	3.068	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)CC(C)(C)C#N	ZINC000853326067	637811303	/nfs/dbraw/zinc/81/13/03/637811303.db2.gz	UBFCLKUMIXQPRL-UHFFFAOYSA-N	-1	0	289.335	3.121	20	30		CGEDRM
O=C(/C=C/c1ccsc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000034275969	638667033	/nfs/dbraw/zinc/66/70/33/638667033.db2.gz	FJKIVHWJVXXBJJ-HNQUOIGGSA-N	-1	0	275.285	3.258	20	30		CGEDRM
C#Cc1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1	ZINC000118764256	639653279	/nfs/dbraw/zinc/65/32/79/639653279.db2.gz	URXGESVEWMIUMJ-UHFFFAOYSA-N	-1	0	294.335	3.350	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042321370	639914701	/nfs/dbraw/zinc/91/47/01/639914701.db2.gz	VCJILNCBIRQDIN-ZHACJKMWSA-N	-1	0	281.377	3.380	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c(F)c2)c1	ZINC000159382633	640042919	/nfs/dbraw/zinc/04/29/19/640042919.db2.gz	CIYMZCOKXNKBPM-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)cc2)s1	ZINC000048515204	640056573	/nfs/dbraw/zinc/05/65/73/640056573.db2.gz	XWFPGKYJWAVPDM-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC2CCC2)c1	ZINC000076757684	640212596	/nfs/dbraw/zinc/21/25/96/640212596.db2.gz	FHGXUHPFZJKJHM-UHFFFAOYSA-N	-1	0	281.377	3.139	20	30		CGEDRM
Cc1ccccc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000013357600	640966380	/nfs/dbraw/zinc/96/63/80/640966380.db2.gz	QIPCZKNSENRMKN-MDZDMXLPSA-N	-1	0	296.322	3.355	20	30		CGEDRM
N#Cc1cc(NC(=O)c2ccc3[nH]ccc3c2F)ccc1O	ZINC001155420545	805580584	/nfs/dbraw/zinc/58/05/84/805580584.db2.gz	MXLPKULTGYTSHU-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#Cc1ccccc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001250581147	805705743	/nfs/dbraw/zinc/70/57/43/805705743.db2.gz	PZPSRJYAKWQMAV-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1ccc(F)c(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001250635160	805740613	/nfs/dbraw/zinc/74/06/13/805740613.db2.gz	QFWFGGQAVFMMLB-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1	ZINC001211658310	814927718	/nfs/dbraw/zinc/92/77/18/814927718.db2.gz	JODPVROSAGIXJC-UHFFFAOYSA-N	-1	0	281.311	3.449	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2C#N)ccc1C(=O)[O-]	ZINC001211663544	814928956	/nfs/dbraw/zinc/92/89/56/814928956.db2.gz	OXGUYBLXCKADOX-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000027082750	798841961	/nfs/dbraw/zinc/84/19/61/798841961.db2.gz	YNKMDBDIDYJMFY-MHWRWJLKSA-N	-1	0	270.288	3.228	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000398034961	799525814	/nfs/dbraw/zinc/52/58/14/799525814.db2.gz	MHYNZLJONSTDFG-KGLIPLIRSA-N	-1	0	296.411	3.160	20	30		CGEDRM
O=C(/C=C\c1cccnc1)c1ccc([O-])c(Cl)c1	ZINC000588480332	799699556	/nfs/dbraw/zinc/69/95/56/799699556.db2.gz	GUEMFCZIKMOYMR-HYXAFXHYSA-N	-1	0	259.692	3.337	20	30		CGEDRM
N#Cc1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588495735	799701920	/nfs/dbraw/zinc/70/19/20/799701920.db2.gz	FRPZQJSRUHGCKV-WAYWQWQTSA-N	-1	0	255.298	3.221	20	30		CGEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000588534950	799707302	/nfs/dbraw/zinc/70/73/02/799707302.db2.gz	BZAYRMWXJJGPRL-HYXAFXHYSA-N	-1	0	297.141	3.329	20	30		CGEDRM
CN(C)c1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588599263	799719819	/nfs/dbraw/zinc/71/98/19/799719819.db2.gz	VNVRYCJBZOYWFX-YVMONPNESA-N	-1	0	273.357	3.416	20	30		CGEDRM
O=C(/C=C/c1cnccn1)c1ccc2ccccc2c1[O-]	ZINC000809158766	800414619	/nfs/dbraw/zinc/41/46/19/800414619.db2.gz	WLGLNARHGGGDJU-SOFGYWHQSA-N	-1	0	276.295	3.232	20	30		CGEDRM
Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1C#N	ZINC000809471652	800439246	/nfs/dbraw/zinc/43/92/46/800439246.db2.gz	UGVYBWQHYQLKMG-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1ccsc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC001256246866	806853941	/nfs/dbraw/zinc/85/39/41/806853941.db2.gz	MDQGYMNGDFPVSN-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1	ZINC001120732962	802769178	/nfs/dbraw/zinc/76/91/78/802769178.db2.gz	BZHHYPWWMHBNEQ-NSHDSACASA-N	-1	0	281.302	3.241	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)c([O-])c(F)c1)CCCC2	ZINC001244092563	803180699	/nfs/dbraw/zinc/18/06/99/803180699.db2.gz	WBKWZKLIARDWKK-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cc(F)c([O-])c(F)c3)c1-2	ZINC001244092252	803181156	/nfs/dbraw/zinc/18/11/56/803181156.db2.gz	PZSUNDPCHXSWGY-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#Cc1cnccc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001244336834	803312392	/nfs/dbraw/zinc/31/23/92/803312392.db2.gz	IDUSUENWCYXNAW-IFRROFPPSA-N	-1	0	291.232	3.447	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1nc(C)c(C)cc1C#N	ZINC001244418479	803360808	/nfs/dbraw/zinc/36/08/08/803360808.db2.gz	PISUVNFAEOTNHK-UHFFFAOYSA-N	-1	0	296.326	3.334	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccc(C)c(C#N)n1	ZINC001244418217	803360997	/nfs/dbraw/zinc/36/09/97/803360997.db2.gz	LXGKAHUNCGVSLI-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1cc(OC(F)(F)F)ccc1[O-]	ZINC001244455617	803377381	/nfs/dbraw/zinc/37/73/81/803377381.db2.gz	JCFFNYKLJLAKBI-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
N#Cc1cccnc1-c1ccc(OC(F)(F)F)cc1[O-]	ZINC001244464848	803382182	/nfs/dbraw/zinc/38/21/82/803382182.db2.gz	VSQNQHUWYPIKQP-UHFFFAOYSA-N	-1	0	280.205	3.224	20	30		CGEDRM
N#CCc1ccnc(-c2cc(F)c([O-])c(Cl)c2)c1	ZINC001244500224	803406082	/nfs/dbraw/zinc/40/60/82/803406082.db2.gz	IVKLLASVVQCPDW-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244501699	803407992	/nfs/dbraw/zinc/40/79/92/803407992.db2.gz	ORUSCAGAPPXHSQ-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cc(F)c([O-])c(Cl)c1	ZINC001244504456	803410467	/nfs/dbraw/zinc/41/04/67/803410467.db2.gz	ORUSPBCKJNDXIT-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(-c2nnc(C)c(C)c2C#N)cc(Cl)c1[O-]	ZINC001244530787	803421969	/nfs/dbraw/zinc/42/19/69/803421969.db2.gz	AFOMWIQALCQNFY-UHFFFAOYSA-N	-1	0	273.723	3.300	20	30		CGEDRM
N#CCc1cc(-c2ccc(Cl)c([O-])c2F)ccn1	ZINC001244632626	803475797	/nfs/dbraw/zinc/47/57/97/803475797.db2.gz	CTRDOYNBNAUNKV-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
[O-]/N=C/c1ccc(F)c(-c2ccc(CO)c(F)c2F)c1	ZINC001244721303	803513344	/nfs/dbraw/zinc/51/33/44/803513344.db2.gz	GMULHLNGWSYFFE-NGYBGAFCSA-N	-1	0	281.233	3.071	20	30		CGEDRM
N#Cc1ccc2nccc(-c3cnc(F)c(C(=O)[O-])c3)c2c1	ZINC001244752751	803520091	/nfs/dbraw/zinc/52/00/91/803520091.db2.gz	JGUAXZHRYGKSHL-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#CC1(c2cccc(-c3cnc(F)c(C(=O)[O-])c3)c2)CC1	ZINC001244754647	803520903	/nfs/dbraw/zinc/52/09/03/803520903.db2.gz	LSHNLJWJROODCG-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
Cc1cc(-c2cc(C)c(C(=O)[O-])c(C)c2)ncc1C#N	ZINC001244945084	803586039	/nfs/dbraw/zinc/58/60/39/803586039.db2.gz	ATUJJTWAWIUQLN-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cc(-c2cc(CC#N)cnc2F)cc(C)c1C(=O)[O-]	ZINC001244948247	803587844	/nfs/dbraw/zinc/58/78/44/803587844.db2.gz	PCJHAIVIQIGEHV-UHFFFAOYSA-N	-1	0	284.290	3.269	20	30		CGEDRM
CCc1cc(-c2cnc(C(=O)[O-])c(C)c2)ccc1C#N	ZINC001244955534	803590832	/nfs/dbraw/zinc/59/08/32/803590832.db2.gz	KHMRVQMESPMYIC-UHFFFAOYSA-N	-1	0	266.300	3.189	20	30		CGEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2C)nc(C)c1C#N	ZINC001245297834	803694180	/nfs/dbraw/zinc/69/41/80/803694180.db2.gz	SSXMVELJNHPZKV-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cccc(CC#N)c1	ZINC001245299443	803695059	/nfs/dbraw/zinc/69/50/59/803695059.db2.gz	GYKGBRKAHODTPJ-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
N#CCc1cccc(-c2cc(CC(=O)[O-])ccc2F)c1F	ZINC001245315238	803698475	/nfs/dbraw/zinc/69/84/75/803698475.db2.gz	AAWTWGLJZYNKHF-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
N#CCc1ccc(F)c(-c2cc(CC(=O)[O-])ccc2F)c1	ZINC001245319317	803699953	/nfs/dbraw/zinc/69/99/53/803699953.db2.gz	LFRIZJYGVGKHKD-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])cc2Cl)c(C#N)c1	ZINC001245373526	803718622	/nfs/dbraw/zinc/71/86/22/803718622.db2.gz	ZESGMDQHKZCQCV-UHFFFAOYSA-N	-1	0	282.686	3.449	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1c(F)ccc([O-])c1Cl	ZINC001245826083	803980897	/nfs/dbraw/zinc/98/08/97/803980897.db2.gz	BAUFTEDAFJWNCP-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ncccc3Cl)[n-]2)c1	ZINC001245937660	804068959	/nfs/dbraw/zinc/06/89/59/804068959.db2.gz	RSKRLSNKGBGEDN-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
CCCCCCCCNC(=S)N[C@H]1[CH]CC=C1	ZINC001247186952	804677483	/nfs/dbraw/zinc/67/74/83/804677483.db2.gz	ZVOXFPPBHPWTCI-CYBMUJFWSA-N	-1	0	253.435	3.344	20	30		CGEDRM
N#Cc1ccc(-c2nnc(CC3CCCCC3)o2)c([O-])c1	ZINC001257082268	807046236	/nfs/dbraw/zinc/04/62/36/807046236.db2.gz	BFSKPNXHCGKEQP-UHFFFAOYSA-N	-1	0	283.331	3.437	20	30		CGEDRM
C=C[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001150694735	805264364	/nfs/dbraw/zinc/26/43/64/805264364.db2.gz	AXTNIGJOTKMVAI-ZCFIWIBFSA-N	-1	0	260.120	3.003	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cc3c(cccc3F)[nH]2)ccc1O	ZINC001151108741	805283327	/nfs/dbraw/zinc/28/33/27/805283327.db2.gz	MLPOARKTRJHFLX-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#Cc1ccc(F)c(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC001152995104	805378120	/nfs/dbraw/zinc/37/81/20/805378120.db2.gz	HUASXXZGVWNSQW-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cs2)cc1	ZINC001258053308	807279474	/nfs/dbraw/zinc/27/94/74/807279474.db2.gz	BASGZTSIFCWHMS-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1ccc(-c2ccc(NCc3cc(=O)[n-]o3)cc2)o1	ZINC001169485420	807650977	/nfs/dbraw/zinc/65/09/77/807650977.db2.gz	LTHYBNLEYFZWHA-UHFFFAOYSA-N	-1	0	281.271	3.124	20	30		CGEDRM
COc1ccc(Nc2scc([O-])c2C#N)c(C)c1	ZINC001174022843	808829135	/nfs/dbraw/zinc/82/91/35/808829135.db2.gz	SPSFMPAXUYKSGH-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
COc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1C#N	ZINC001174496420	809042817	/nfs/dbraw/zinc/04/28/17/809042817.db2.gz	LMGQVIYBVFFECO-VMPITWQZSA-N	-1	0	294.310	3.408	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001174504653	809052047	/nfs/dbraw/zinc/05/20/47/809052047.db2.gz	WIYDXHPQUHHUNB-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(-c2cc[nH]n2)c1	ZINC001174508233	809053738	/nfs/dbraw/zinc/05/37/38/809053738.db2.gz	YRYCONMUZFLULW-UHFFFAOYSA-N	-1	0	282.328	3.459	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc(CC(=O)[O-])cc2)s1	ZINC001174950183	809212148	/nfs/dbraw/zinc/21/21/48/809212148.db2.gz	RZFVKDUSVFFDEV-UHFFFAOYSA-N	-1	0	272.329	3.299	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC001174955037	809214698	/nfs/dbraw/zinc/21/46/98/809214698.db2.gz	YZRRJBSELLKUOS-UHFFFAOYSA-N	-1	0	251.285	3.039	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC001175159415	809292542	/nfs/dbraw/zinc/29/25/42/809292542.db2.gz	AOOATYLWGKQCSA-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175218584	809311980	/nfs/dbraw/zinc/31/19/80/809311980.db2.gz	GQRRHGFATIIDIF-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(-n2cccn2)cc1	ZINC001175370173	809381729	/nfs/dbraw/zinc/38/17/29/809381729.db2.gz	WQZHMPRNKYUXFO-UHFFFAOYSA-N	-1	0	282.328	3.255	20	30		CGEDRM
Cn1ncc2c1cccc2Nc1cc(C#N)c(F)cc1[O-]	ZINC001175439040	809405312	/nfs/dbraw/zinc/40/53/12/809405312.db2.gz	OHXMXRHMMHQTKN-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
Cc1ccc(Nc2csc(C(=O)[O-])c2)cc1C#N	ZINC001176439329	809698528	/nfs/dbraw/zinc/69/85/28/809698528.db2.gz	ORTPQERMMJWQCP-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
COc1cccc(C#N)c1Nc1csc(C(=O)[O-])c1	ZINC001176439413	809698538	/nfs/dbraw/zinc/69/85/38/809698538.db2.gz	VFRUGBZOSAYBLJ-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1csc(C(=O)[O-])c1	ZINC001176440589	809699262	/nfs/dbraw/zinc/69/92/62/809699262.db2.gz	JVPDKYUSGNCDOV-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#CCc1cc(Nc2csc(C(=O)[O-])c2)ccc1F	ZINC001176442742	809699277	/nfs/dbraw/zinc/69/92/77/809699277.db2.gz	CGCULDQQLSGFOS-UHFFFAOYSA-N	-1	0	276.292	3.395	20	30		CGEDRM
Cc1cc(C#N)c(Nc2ccc(C(=O)[O-])cc2)cc1F	ZINC001176713340	809747899	/nfs/dbraw/zinc/74/78/99/809747899.db2.gz	DVVBINMRJFHLDU-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cccc(O)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213634064	815315492	/nfs/dbraw/zinc/31/54/92/815315492.db2.gz	JJRWAGJSPXRFEE-UHFFFAOYSA-N	-1	0	282.299	3.025	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1[N+](=O)[O-]	ZINC001213670182	815321343	/nfs/dbraw/zinc/32/13/43/815321343.db2.gz	MEJLFMQLAQPNHH-UHFFFAOYSA-N	-1	0	287.250	3.363	20	30		CGEDRM
COc1cccc(O)c1C(=O)Nc1ccc(CCC#N)cc1	ZINC001178224373	809853314	/nfs/dbraw/zinc/85/33/14/809853314.db2.gz	HYWIMECWMRINLF-UHFFFAOYSA-N	-1	0	296.326	3.109	20	30		CGEDRM
CC#CCCCCCCCC(=O)NCc1ncccc1O	ZINC001182770732	810124065	/nfs/dbraw/zinc/12/40/65/810124065.db2.gz	WXRDJQYZCUFZIU-UHFFFAOYSA-N	-1	0	288.391	3.157	20	30		CGEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1scnc1C1CC1	ZINC001184241427	810185444	/nfs/dbraw/zinc/18/54/44/810185444.db2.gz	SWHXYXGDMKTUQD-UHFFFAOYSA-N	-1	0	287.364	3.009	20	30		CGEDRM
CC(C)(CNC(=O)CCC(=O)C1=CC=C[CH]1)c1ccccc1	ZINC001184243623	810185482	/nfs/dbraw/zinc/18/54/82/810185482.db2.gz	HHRQMNAYHHVVPF-UHFFFAOYSA-N	-1	0	296.390	3.130	20	30		CGEDRM
CCOC(=O)c1cnoc1[N-]c1ccc(C#N)cc1Cl	ZINC001213989741	815355175	/nfs/dbraw/zinc/35/51/75/815355175.db2.gz	KEEPBBDNVGSNHK-UHFFFAOYSA-N	-1	0	291.694	3.120	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cc(C3CCCC3)no2)CC1	ZINC001190766189	810646738	/nfs/dbraw/zinc/64/67/38/810646738.db2.gz	OBDZDXYZIWMTEX-UHFFFAOYSA-N	-1	0	296.392	3.183	20	30		CGEDRM
Cc1cccc(CNC(=O)Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001191002043	810663073	/nfs/dbraw/zinc/66/30/73/810663073.db2.gz	XKPPLCZOEUVQNQ-UHFFFAOYSA-N	-1	0	299.305	3.033	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)o1	ZINC001192682600	810815302	/nfs/dbraw/zinc/81/53/02/810815302.db2.gz	FJLBJEDIZCPWQA-UHFFFAOYSA-N	-1	0	297.097	3.416	20	30		CGEDRM
C=C1CC=C(F)C=C1NC(=O)c1c([O-])ccc(F)c1F	ZINC001192785059	810819558	/nfs/dbraw/zinc/81/95/58/810819558.db2.gz	BWRJKPLLWQJOHH-UHFFFAOYSA-N	-1	0	281.233	3.097	20	30		CGEDRM
C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193494416	810896290	/nfs/dbraw/zinc/89/62/90/810896290.db2.gz	LKICSFQEAZQSCN-GFCCVEGCSA-N	-1	0	292.338	3.023	20	30		CGEDRM
C=CC[C@@H](NC(=O)c1ccc([O-])c(C#N)c1)c1ccccc1	ZINC001193519258	810902448	/nfs/dbraw/zinc/90/24/48/810902448.db2.gz	UXIKPHDNLWYABK-MRXNPFEDSA-N	-1	0	292.338	3.311	20	30		CGEDRM
N#Cc1cnoc1Nc1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC001214511513	815418343	/nfs/dbraw/zinc/41/83/43/815418343.db2.gz	AZXCEJWWYSEWRK-UHFFFAOYSA-N	-1	0	298.085	3.295	20	30		CGEDRM
CCC1(NC(=O)c2ccc(C#N)cc2[O-])CCCCC1	ZINC001195764549	811289648	/nfs/dbraw/zinc/28/96/48/811289648.db2.gz	LWWPFZWLYRHBKJ-UHFFFAOYSA-N	-1	0	272.348	3.107	20	30		CGEDRM
N#Cc1cccnc1Nc1cc(C(=O)[O-])c(Cl)cc1F	ZINC001214735700	815446671	/nfs/dbraw/zinc/44/66/71/815446671.db2.gz	CCBAZFQGSVCMTE-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1c(C)n(-c2ccc(Cl)c([O-])c2F)c(N)c1C#N	ZINC001214794036	815453377	/nfs/dbraw/zinc/45/33/77/815453377.db2.gz	WAQBHMGKKNIFIQ-UHFFFAOYSA-N	-1	0	279.702	3.046	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1C#N	ZINC001215004642	815475468	/nfs/dbraw/zinc/47/54/68/815475468.db2.gz	SYYLNHYASNAXJD-UHFFFAOYSA-N	-1	0	283.262	3.027	20	30		CGEDRM
Cc1ccccc1NC(=O)Nc1ccc(O)c(C#N)c1	ZINC001202185299	812032206	/nfs/dbraw/zinc/03/22/06/812032206.db2.gz	QZXQUPCIQACZNO-UHFFFAOYSA-N	-1	0	267.288	3.216	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)s1	ZINC001203287826	812293510	/nfs/dbraw/zinc/29/35/10/812293510.db2.gz	JGTRYNNALVHWOW-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccc(C(=O)[O-])cc2F)cn1	ZINC001203286133	812293751	/nfs/dbraw/zinc/29/37/51/812293751.db2.gz	IWPRLDMSAZVJPO-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001203325217	812311695	/nfs/dbraw/zinc/31/16/95/812311695.db2.gz	ZXRBBHMWPSHJRJ-UHFFFAOYSA-N	-1	0	299.236	3.150	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1F	ZINC001203327650	812312611	/nfs/dbraw/zinc/31/26/11/812312611.db2.gz	JSFSMWOQYILFSU-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1c(Cl)c(Nc2cncc(C#N)c2)ccc1C(=O)[O-]	ZINC001215689924	815558698	/nfs/dbraw/zinc/55/86/98/815558698.db2.gz	FZUOVHMAXBMUGI-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205100620	812865488	/nfs/dbraw/zinc/86/54/88/812865488.db2.gz	UBTROHPMNMFREO-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
COc1nc(C)c(-c2ccsc2C(=O)[O-])c(C)c1C#N	ZINC001205572055	813007923	/nfs/dbraw/zinc/00/79/23/813007923.db2.gz	BUQWIIGXEROICG-UHFFFAOYSA-N	-1	0	288.328	3.005	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccsc1C(=O)[O-]	ZINC001205586817	813013595	/nfs/dbraw/zinc/01/35/95/813013595.db2.gz	SCXTVQXYVYQROZ-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1cc(Nc2cc(Cl)cc(Cl)c2[O-])ccn1	ZINC001206619002	813377127	/nfs/dbraw/zinc/37/71/27/813377127.db2.gz	GNXVOPLLSQNTBI-UHFFFAOYSA-N	-1	0	280.114	3.131	20	30		CGEDRM
COc1ccc(C)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001209840333	814158414	/nfs/dbraw/zinc/15/84/14/814158414.db2.gz	HWWUSQJPZYOWEN-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890606	814190788	/nfs/dbraw/zinc/19/07/88/814190788.db2.gz	QWTNQZSUBJILKK-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1ccc(Nc2cccc(OC)c2C#N)cc1C(=O)[O-]	ZINC001209902808	814194491	/nfs/dbraw/zinc/19/44/91/814194491.db2.gz	OXEPRJZEPUMRIC-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC001210400904	814447626	/nfs/dbraw/zinc/44/76/26/814447626.db2.gz	NDHABQPAZIDYDF-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
CC(C)c1nnc([N-]c2cc(Cl)cc(C#N)c2)o1	ZINC001210536554	814513508	/nfs/dbraw/zinc/51/35/08/814513508.db2.gz	RZBKPHVNGXKVMQ-UHFFFAOYSA-N	-1	0	262.700	3.462	20	30		CGEDRM
COc1c(F)cc(F)cc1Nc1scc([O-])c1C#N	ZINC001210866420	814658024	/nfs/dbraw/zinc/65/80/24/814658024.db2.gz	OBXFCOZECBKQRX-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
N#Cc1cc(Nc2cc(Cl)c([O-])c(Cl)c2)ccn1	ZINC001210924925	814676457	/nfs/dbraw/zinc/67/64/57/814676457.db2.gz	XVJRJNVUDJXBLQ-UHFFFAOYSA-N	-1	0	280.114	3.131	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccccc1C(=O)[O-]	ZINC001210967236	814694208	/nfs/dbraw/zinc/69/42/08/814694208.db2.gz	XAAQLQHFHSNHOR-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
COc1c(Nc2cc(C#N)ccc2C)cccc1C(=O)[O-]	ZINC001211036708	814713983	/nfs/dbraw/zinc/71/39/83/814713983.db2.gz	BLUMOLZOYSNSGV-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(F)c([N+](=O)[O-])c1	ZINC001211191131	814843521	/nfs/dbraw/zinc/84/35/21/814843521.db2.gz	ROHCMRWCIGWSIO-UHFFFAOYSA-N	-1	0	279.252	3.116	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)ccc2F)cc(C(=O)[O-])c1	ZINC001211544615	814904476	/nfs/dbraw/zinc/90/44/76/814904476.db2.gz	FZSALOJUBKDQJC-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
COc1cccc(C#N)c1Nc1cc(C)cc(C(=O)[O-])c1	ZINC001211544487	814905088	/nfs/dbraw/zinc/90/50/88/814905088.db2.gz	BXBVXNRKACMWCM-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211606710	814917005	/nfs/dbraw/zinc/91/70/05/814917005.db2.gz	XIFKKIXWPVQIAQ-UHFFFAOYSA-N	-1	0	281.315	3.350	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cccc2C#N)cc([O-])c1F	ZINC001216079245	815684590	/nfs/dbraw/zinc/68/45/90/815684590.db2.gz	YPYXBLZRWYYCRF-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(O)c1F	ZINC001216083772	815686751	/nfs/dbraw/zinc/68/67/51/815686751.db2.gz	TVPNIARODFNINV-UHFFFAOYSA-N	-1	0	276.242	3.300	20	30		CGEDRM
Cc1c(C#N)cccc1Nc1ccc(C(=O)[O-])cc1	ZINC001216177379	815722571	/nfs/dbraw/zinc/72/25/71/815722571.db2.gz	LVOXUACUCAQJCB-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1cc(Nc2ncccc2C#N)cc(C)c1C(=O)[O-]	ZINC001216307750	815774457	/nfs/dbraw/zinc/77/44/57/815774457.db2.gz	JDSWQHIMXYDELR-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1cnoc1Nc1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001216358051	815799388	/nfs/dbraw/zinc/79/93/88/815799388.db2.gz	JJXRWUYTPZJXKE-UHFFFAOYSA-N	-1	0	298.085	3.295	20	30		CGEDRM
Cc1c(Nc2c(F)cccc2C#N)cccc1C(=O)[O-]	ZINC001216660257	815887694	/nfs/dbraw/zinc/88/76/94/815887694.db2.gz	HPCHLTAYIAQJEO-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1c(Nc2ccc(F)c(C#N)c2)cccc1C(=O)[O-]	ZINC001216659942	815887701	/nfs/dbraw/zinc/88/77/01/815887701.db2.gz	ANTZCSMRZLQKLW-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cccc(Nc2cc(CC(=O)[O-])ccc2F)c1F	ZINC001216681418	815892068	/nfs/dbraw/zinc/89/20/68/815892068.db2.gz	PIHLLMCVLUVWJL-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)s1	ZINC001216680698	815892172	/nfs/dbraw/zinc/89/21/72/815892172.db2.gz	DTTQPBXLUCSZPZ-UHFFFAOYSA-N	-1	0	276.292	3.130	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3ccccc3F)no2)ccc1[O-]	ZINC001216968484	815903688	/nfs/dbraw/zinc/90/36/88/815903688.db2.gz	YMOHGXFSLJNPFR-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
Cc1ccc(-c2noc(-c3ccc([O-])c(C#N)c3)n2)c(F)c1	ZINC001216968162	815903844	/nfs/dbraw/zinc/90/38/44/815903844.db2.gz	ULDVPZOEVCWLMB-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1ccc(F)cc1-c1noc(-c2cccc(C#N)c2[O-])n1	ZINC001216979989	815905598	/nfs/dbraw/zinc/90/55/98/815905598.db2.gz	NXLCKOXGNZSWRN-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
Cc1nc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ccc1C#N	ZINC001222662542	816493962	/nfs/dbraw/zinc/49/39/62/816493962.db2.gz	MYMQVUXWPBDIRS-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
N#C[C@@H]1CC[C@@H](O/C(=N\[O-])c2ccc(Cl)cc2)C1	ZINC001223597345	816655214	/nfs/dbraw/zinc/65/52/14/816655214.db2.gz	SOZCPVQQBRBJGE-CEYARYBBSA-N	-1	0	264.712	3.185	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)C(F)(F)F	ZINC001223888702	816697107	/nfs/dbraw/zinc/69/71/07/816697107.db2.gz	QYMCHKDRCLOKIN-UXTYQUMQSA-N	-1	0	269.169	3.068	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1cccnc1F	ZINC001223890084	816697717	/nfs/dbraw/zinc/69/77/17/816697717.db2.gz	NMDDIZQPTDXKBU-SCRAEEPHSA-N	-1	0	296.248	3.413	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCCC[C@H]2F)c1	ZINC001223891920	816698898	/nfs/dbraw/zinc/69/88/98/816698898.db2.gz	WADIFLNYOKYFHV-NAFRVWLBSA-N	-1	0	297.326	3.137	20	30		CGEDRM
CCCCCCC[C@H](CC)OCCCS(=O)(=O)[O-]	ZINC001224897645	816905113	/nfs/dbraw/zinc/90/51/13/816905113.db2.gz	HWPXNHLSXWCJHR-ZDUSSCGKSA-N	-1	0	280.430	3.420	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](OCCCC[P@@](=O)([O-])O)C1	ZINC001225023301	816933750	/nfs/dbraw/zinc/93/37/50/816933750.db2.gz	XCJSKIWIDONSEQ-KBPBESRZSA-N	-1	0	288.324	3.262	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518280	817082542	/nfs/dbraw/zinc/08/25/42/817082542.db2.gz	WNRPEDDKCBUOEF-GFCCVEGCSA-N	-1	0	284.377	3.447	20	30		CGEDRM
C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)ncc1F	ZINC001225885086	817205616	/nfs/dbraw/zinc/20/56/16/817205616.db2.gz	LELQHYIKKGXDGH-SNVBAGLBSA-N	-1	0	290.294	3.026	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1F	ZINC001225886209	817207346	/nfs/dbraw/zinc/20/73/46/817207346.db2.gz	UQZRWANUHDNBKQ-SCVCMEIPSA-N	-1	0	266.316	3.081	20	30		CGEDRM
CCC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)(C)C	ZINC001226009031	817247886	/nfs/dbraw/zinc/24/78/86/817247886.db2.gz	QMHOTRPPRKUZCD-LLVKDONJSA-N	-1	0	266.316	3.392	20	30		CGEDRM
Cc1cccc([C@H](C)Oc2[n-]c(=O)c(F)cc2C#N)c1	ZINC001226009367	817248354	/nfs/dbraw/zinc/24/83/54/817248354.db2.gz	WEOLRJJHOZAHRI-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](CC#N)c2ccccc2)c1C#N	ZINC001226223071	817301849	/nfs/dbraw/zinc/30/18/49/817301849.db2.gz	KIRYBGVFVKGLPK-CQSZACIVSA-N	-1	0	279.299	3.001	20	30		CGEDRM
Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222238	817302185	/nfs/dbraw/zinc/30/21/85/817302185.db2.gz	WTHUMAZSKHNGHO-HNNXBMFYSA-N	-1	0	280.327	3.342	20	30		CGEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226408388	817349924	/nfs/dbraw/zinc/34/99/24/817349924.db2.gz	JRMPGWHZGKEESJ-NSHDSACASA-N	-1	0	274.295	3.045	20	30		CGEDRM
CC(=O)c1ccc(O)c(O[C@@H](CC#N)c2ccccc2)c1O	ZINC001226482455	817371189	/nfs/dbraw/zinc/37/11/89/817371189.db2.gz	NWIYRUXIXNOBCY-HNNXBMFYSA-N	-1	0	297.310	3.334	20	30		CGEDRM
C=C[C@@H](CC)Oc1cc(O)cc2oc(=O)cc(C)c12	ZINC001226483034	817372314	/nfs/dbraw/zinc/37/23/14/817372314.db2.gz	ABZHCRIOMBEZGX-NSHDSACASA-N	-1	0	260.289	3.150	20	30		CGEDRM
C=C(C)C[C@@H](Oc1n[n-]c(=O)cc1Br)C(=C)C	ZINC001226848270	817483713	/nfs/dbraw/zinc/48/37/13/817483713.db2.gz	CPYBWNCOBODJMB-SNVBAGLBSA-N	-1	0	299.168	3.234	20	30		CGEDRM
N#Cc1cnccc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001243157069	823266962	/nfs/dbraw/zinc/26/69/62/823266962.db2.gz	BHHLOBKSDPBFFK-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274733	817615197	/nfs/dbraw/zinc/61/51/97/817615197.db2.gz	POXPTFUBXNRHJU-JTQLQIEISA-N	-1	0	261.325	3.177	20	30		CGEDRM
CC#Cc1cncc(-c2cc(C)cc(C(=O)[O-])c2)c1	ZINC001243178363	823275149	/nfs/dbraw/zinc/27/51/49/823275149.db2.gz	PAUYZLFEMUABAI-UHFFFAOYSA-N	-1	0	251.285	3.127	20	30		CGEDRM
COc1ccc(-c2cc(C)cc(C(=O)[O-])c2)cc1CC#N	ZINC001243182493	823277859	/nfs/dbraw/zinc/27/78/59/823277859.db2.gz	PZXHKTXGCQRHSS-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
C[C@H]1CCC[C@H](C)C1Oc1ccc(O)c(C#N)c1C#N	ZINC001227623455	817685688	/nfs/dbraw/zinc/68/56/88/817685688.db2.gz	RSRUOLCNTNNTFZ-QWRGUYRKSA-N	-1	0	270.332	3.339	20	30		CGEDRM
C[C@H](Oc1cc(F)c(C#N)cc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001227874950	817740388	/nfs/dbraw/zinc/74/03/88/817740388.db2.gz	KYPHSOWXLSOTRV-VIFPVBQESA-N	-1	0	273.243	3.073	20	30		CGEDRM
N#CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F	ZINC001231458482	818102752	/nfs/dbraw/zinc/10/27/52/818102752.db2.gz	JVKYCDWYNXAEEP-UHFFFAOYSA-N	-1	0	298.317	3.050	20	30		CGEDRM
CC#Cc1cncc(-c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001243327006	823349711	/nfs/dbraw/zinc/34/97/11/823349711.db2.gz	VBIKHXGEYZBFKR-UHFFFAOYSA-N	-1	0	271.703	3.472	20	30		CGEDRM
N#CCc1cncc(-c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001243326408	823348791	/nfs/dbraw/zinc/34/87/91/823348791.db2.gz	VKCLLJRGXFKQHS-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2n[n-]c(=O)cc2Cl)O1	ZINC001233585258	818649710	/nfs/dbraw/zinc/64/97/10/818649710.db2.gz	CAFYZQMCQWJDMN-IINYFYTJSA-N	-1	0	298.770	3.117	20	30		CGEDRM
N#CC[C@@H](Oc1ccc2c(c1)C(=O)CO2)c1ccccc1	ZINC001233677903	818677267	/nfs/dbraw/zinc/67/72/67/818677267.db2.gz	POJGNLDSPXPLBJ-MRXNPFEDSA-N	-1	0	279.295	3.295	20	30		CGEDRM
CCCC[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511850	818870391	/nfs/dbraw/zinc/87/03/91/818870391.db2.gz	XHZWFKTYEAGUPR-JTQLQIEISA-N	-1	0	271.320	3.165	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530979	818876035	/nfs/dbraw/zinc/87/60/35/818876035.db2.gz	QCMLDFCJTSZRTR-HZMBPMFUSA-N	-1	0	283.331	3.165	20	30		CGEDRM
N#CC1(c2ccc(-c3c(F)cc(F)c([O-])c3F)nc2)CC1	ZINC001235985958	819260189	/nfs/dbraw/zinc/26/01/89/819260189.db2.gz	QDIYIRIZOJLXHJ-UHFFFAOYSA-N	-1	0	290.244	3.427	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2)c(F)c1	ZINC001236060042	819293927	/nfs/dbraw/zinc/29/39/27/819293927.db2.gz	HUXNOYDQSRQGOO-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])cc2)c2cc[nH]c21	ZINC001236064450	819297083	/nfs/dbraw/zinc/29/70/83/819297083.db2.gz	DKXUHWOIYWUQIB-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc2)CC1	ZINC001243424093	823401412	/nfs/dbraw/zinc/40/14/12/823401412.db2.gz	JKIABNDWJJRJIF-UHFFFAOYSA-N	-1	0	299.351	3.155	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2c(F)ccc(C)c2[O-])n1	ZINC001236389884	819446680	/nfs/dbraw/zinc/44/66/80/819446680.db2.gz	HDLJMHKMYGONBX-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
[O-]/N=C/c1cc(-c2ccc(CO)nc2)cc(C(F)(F)F)c1	ZINC001243471224	823414350	/nfs/dbraw/zinc/41/43/50/823414350.db2.gz	WHIWOATWCSCJGG-KPSZGOFPSA-N	-1	0	296.248	3.068	20	30		CGEDRM
Cc1n[nH]cc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001240520882	821117867	/nfs/dbraw/zinc/11/78/67/821117867.db2.gz	CUSCKGVNZPTPQN-YAXRCOADSA-N	-1	0	269.226	3.212	20	30		CGEDRM
N#Cc1nc2[nH]ccc2cc1-c1cccc(C=CC(=O)[O-])c1	ZINC001240549988	821136969	/nfs/dbraw/zinc/13/69/69/821136969.db2.gz	KUULHTJXILYJIT-SNAWJCMRSA-N	-1	0	289.294	3.151	20	30		CGEDRM
COc1cc(-c2cc(F)ccc2CC#N)ccc1C(=O)[O-]	ZINC001240743658	821295238	/nfs/dbraw/zinc/29/52/38/821295238.db2.gz	YCMVPRGBLVISCZ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(OC)c2)c(CC#N)c1	ZINC001240744741	821295651	/nfs/dbraw/zinc/29/56/51/821295651.db2.gz	MNRBLJUUSSKESS-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1cc(-c2ccccc2CS)ccc1C(=O)[O-]	ZINC001240746154	821296117	/nfs/dbraw/zinc/29/61/17/821296117.db2.gz	XLNYSPDUKFKDRD-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
N#CCc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1	ZINC001240973566	821457444	/nfs/dbraw/zinc/45/74/44/821457444.db2.gz	MDAOGAFSEHNFGK-UHFFFAOYSA-N	-1	0	251.285	3.047	20	30		CGEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1C#N	ZINC001241184928	821621767	/nfs/dbraw/zinc/62/17/67/821621767.db2.gz	JGKCNEWHEVWSFN-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
COc1cccc(-c2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001241186144	821623853	/nfs/dbraw/zinc/62/38/53/821623853.db2.gz	YFYPJQDIOQOZOH-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#Cc1c2ccccc2cnc1-c1cccc(C(=O)[O-])c1	ZINC001241357539	821758760	/nfs/dbraw/zinc/75/87/60/821758760.db2.gz	VUUAMQGDORDVLO-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#CCc1cc(-c2cccc(C(=O)[O-])c2)ccc1F	ZINC001241358854	821759970	/nfs/dbraw/zinc/75/99/70/821759970.db2.gz	MTNRSHOEDPDSML-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1ccc(OC)c(C(=O)[O-])c1	ZINC001241856718	822181490	/nfs/dbraw/zinc/18/14/90/822181490.db2.gz	XXORNBWZLOLKSR-UHFFFAOYSA-N	-1	0	283.327	3.492	20	30		CGEDRM
COc1ccc(-c2cc(F)cc(CC#N)c2)cc1C(=O)[O-]	ZINC001241881004	822191498	/nfs/dbraw/zinc/19/14/98/822191498.db2.gz	KEAVFKVGZBYHDC-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(/C=N/O)ccc1F	ZINC001242211721	822911688	/nfs/dbraw/zinc/91/16/88/822911688.db2.gz	QPGXHMUWLWNYKU-CNHKJKLMSA-N	-1	0	291.253	3.447	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1ccc(F)cc1[O-]	ZINC001242216352	822914498	/nfs/dbraw/zinc/91/44/98/822914498.db2.gz	QYAMAEMBVNLENF-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CCc1cc(-c2ccc(F)cc2[O-])ccc1C#N	ZINC001242220702	822916722	/nfs/dbraw/zinc/91/67/22/822916722.db2.gz	LYAGYFXPWINFQL-UHFFFAOYSA-N	-1	0	252.248	3.136	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cccc(F)c3[O-])c2c1	ZINC001242347839	822959594	/nfs/dbraw/zinc/95/95/94/822959594.db2.gz	COLUIPMYSMFWMG-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
C=CCOc1ccc(-c2cccc(C(=O)[O-])c2F)nc1C#N	ZINC001242378614	822974132	/nfs/dbraw/zinc/97/41/32/822974132.db2.gz	CTSHSRXLRDMEAE-UHFFFAOYSA-N	-1	0	298.273	3.022	20	30		CGEDRM
CC(C)c1ccc(C#N)c(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562256	823032595	/nfs/dbraw/zinc/03/25/95/823032595.db2.gz	OEWNJAOLBGAFRA-UHFFFAOYSA-N	-1	0	263.300	3.321	20	30		CGEDRM
N#Cc1cc(-c2ccc(C#N)c(C(F)(F)F)n2)ccc1[O-]	ZINC001242562487	823032661	/nfs/dbraw/zinc/03/26/61/823032661.db2.gz	BJAFYXFYAOGCKM-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(-c2ccc([O-])c(C#N)c2)n1	ZINC001242563527	823032997	/nfs/dbraw/zinc/03/29/97/823032997.db2.gz	SAJRSIMQGTWDLF-UHFFFAOYSA-N	-1	0	277.327	3.495	20	30		CGEDRM
N#Cc1cnc(-c2ccc([O-])c(C#N)c2)c2sccc21	ZINC001242563296	823033048	/nfs/dbraw/zinc/03/30/48/823033048.db2.gz	DCYIJFQUWADJBD-UHFFFAOYSA-N	-1	0	277.308	3.412	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001347188939	936873143	/nfs/dbraw/zinc/87/31/43/936873143.db2.gz	MNTLJVSDWQTIJP-LLVKDONJSA-N	-1	0	272.279	3.256	20	30		CGEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(C(C)C)cc1	ZINC001361854673	937229557	/nfs/dbraw/zinc/22/95/57/937229557.db2.gz	KGSVRBMEDGEDKN-UHFFFAOYSA-N	-1	0	295.342	3.343	20	30		CGEDRM
CCCC[C@H](CCC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362034122	937229931	/nfs/dbraw/zinc/22/99/31/937229931.db2.gz	GDZLQUIIHLPTQP-ZDUSSCGKSA-N	-1	0	289.379	3.056	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cc(F)cc(F)c1[O-]	ZINC001454582501	937409647	/nfs/dbraw/zinc/40/96/47/937409647.db2.gz	GNKTVGCLMKVODY-UHFFFAOYSA-N	-1	0	283.318	3.393	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](Oc2nc[n-]c(=O)c2Cl)C(C)(C)O1	ZINC001230018082	932522934	/nfs/dbraw/zinc/52/29/34/932522934.db2.gz	MMBAKPYPWRMVIO-LKFCYVNXSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885009	932634420	/nfs/dbraw/zinc/63/44/20/932634420.db2.gz	IECOCMUVZHXARL-MRVPVSSYSA-N	-1	0	264.712	3.332	20	30		CGEDRM
Cc1ccc(-c2nnc(-c3ccc([O-])c(C#N)c3)o2)cc1	ZINC001252697527	932721756	/nfs/dbraw/zinc/72/17/56/932721756.db2.gz	STVLWBQYBYBJAK-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
C=CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001304872028	932859478	/nfs/dbraw/zinc/85/94/78/932859478.db2.gz	XBWYLLYSWIHKJP-UHFFFAOYSA-N	-1	0	274.147	3.393	20	30		CGEDRM
O=C(/C=C\c1ccc2c(c1)CCC2)c1ccc(O)cc1[O-]	ZINC001319589259	933897198	/nfs/dbraw/zinc/89/71/98/933897198.db2.gz	XYSHFWBFULUXDZ-UITAMQMPSA-N	-1	0	280.323	3.483	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)c2c(F)cccc2Cl)c1	ZINC001471086257	937761515	/nfs/dbraw/zinc/76/15/15/937761515.db2.gz	RXDBVZIVDONDOR-UHFFFAOYSA-N	-1	0	290.681	3.075	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC001336760512	936214781	/nfs/dbraw/zinc/21/47/81/936214781.db2.gz	UJNWKHBCAZMZKM-SECBINFHSA-N	-1	0	299.292	3.380	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H](C)c1nn(C)cc1[O-]	ZINC001558682371	938217071	/nfs/dbraw/zinc/21/70/71/938217071.db2.gz	BFBXEGOGLWVOIV-LBPRGKRZSA-N	-1	0	281.400	3.054	20	30		CGEDRM
C=CCCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000381671684	971768955	/nfs/dbraw/zinc/76/89/55/971768955.db2.gz	ADEXWYLIFZOLLW-UHFFFAOYSA-N	-1	0	282.727	3.126	20	30		CGEDRM
CC[C@@H](Sc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000162510873	959217328	/nfs/dbraw/zinc/21/73/28/959217328.db2.gz	JCCZMRLISUSQFB-SECBINFHSA-N	-1	0	255.726	3.167	20	30		CGEDRM
N#Cc1cccc(NC2CCC(CC(=O)[O-])CC2)c1	ZINC000215846675	959760817	/nfs/dbraw/zinc/76/08/17/959760817.db2.gz	WXEWRWRIDMBIQO-UHFFFAOYSA-N	-1	0	258.321	3.004	20	30		CGEDRM
CCCCCCCCCn1cc([N+](=O)[O-])c(C(=O)[O-])n1	ZINC000229735856	960091438	/nfs/dbraw/zinc/09/14/38/960091438.db2.gz	RKYBCQSBCFJKIF-UHFFFAOYSA-N	-1	0	283.328	3.240	20	30		CGEDRM
N#Cc1ncc(-c2ccc3oc(=S)[n-]c3c2)cc1F	ZINC001238992808	960413864	/nfs/dbraw/zinc/41/38/64/960413864.db2.gz	OMZJJVUGZZHVSF-UHFFFAOYSA-N	-1	0	271.276	3.189	20	30		CGEDRM
CC(C)(C#N)CCCCOC(=O)c1ccccc1C(=O)[O-]	ZINC001589553985	960496942	/nfs/dbraw/zinc/49/69/42/960496942.db2.gz	REGYUGDZRGDVFS-UHFFFAOYSA-N	-1	0	289.331	3.262	20	30		CGEDRM
C=C[C@@H](SC1=Nc2ccccc2CS1)C(=O)[O-]	ZINC001602826475	960548816	/nfs/dbraw/zinc/54/88/16/960548816.db2.gz	BQDMWNXNPLFSDX-SNVBAGLBSA-N	-1	0	265.359	3.293	20	30		CGEDRM
C=CCCN[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F	ZINC001602881496	960551163	/nfs/dbraw/zinc/55/11/63/960551163.db2.gz	YDNPERZGBNIGAK-NSHDSACASA-N	-1	0	273.254	3.154	20	30		CGEDRM
C[C@@H](Sc1cc(C(F)(F)F)c(F)cc1C#N)C(=O)[O-]	ZINC001603284414	972520452	/nfs/dbraw/zinc/52/04/52/972520452.db2.gz	SYGAALOESGKCMM-RXMQYKEDSA-N	-1	0	293.241	3.281	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1s[n-]c(=O)c1Cl	ZINC001565858105	960843903	/nfs/dbraw/zinc/84/39/03/960843903.db2.gz	CLCNAAAHPALGQV-UHFFFAOYSA-N	-1	0	288.800	3.321	20	30		CGEDRM
C=CC1(CC(=O)Nc2cccnc2C(=O)[O-])CCCCC1	ZINC001573330384	962244472	/nfs/dbraw/zinc/24/44/72/962244472.db2.gz	YFEHYCRNVNAATC-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C#CCCCCCC(=O)N1CCCc2ccc(C(=O)[O-])cc21	ZINC001573302245	962648628	/nfs/dbraw/zinc/64/86/28/962648628.db2.gz	SPCDECTYUUFZMB-UHFFFAOYSA-N	-1	0	299.370	3.248	20	30		CGEDRM
C=C(C)C[C@H](Nc1nc(C2CCCCC2)ns1)C(=O)[O-]	ZINC001573323765	962776574	/nfs/dbraw/zinc/77/65/74/962776574.db2.gz	HHVBBBIVAHKGHK-NSHDSACASA-N	-1	0	295.408	3.417	20	30		CGEDRM
C=C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001573346990	962945645	/nfs/dbraw/zinc/94/56/45/962945645.db2.gz	INFQAZKYRUSPSP-INIZCTEOSA-N	-1	0	296.322	3.398	20	30		CGEDRM
C=CC[C@H](Sc1c(F)cc(F)cc1F)C(=O)[O-]	ZINC001573352401	962987158	/nfs/dbraw/zinc/98/71/58/962987158.db2.gz	BGTGZSQJENBMGH-VIFPVBQESA-N	-1	0	262.252	3.225	20	30		CGEDRM
C=CCC1(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCCC1	ZINC001573352862	962993140	/nfs/dbraw/zinc/99/31/40/962993140.db2.gz	LQPISRKLIGTGMB-UONOGXRCSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CCCO[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	ZINC001586065563	963063839	/nfs/dbraw/zinc/06/38/39/963063839.db2.gz	DRWZSBQABXZYPR-SOUVJXGZSA-N	-1	0	283.412	3.088	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1ccc(Cl)c([O-])c1	ZINC001587670528	963215072	/nfs/dbraw/zinc/21/50/72/963215072.db2.gz	OMGCPEGXJOOOQC-UHFFFAOYSA-N	-1	0	253.729	3.084	20	30		CGEDRM
C=C(C)CCSc1ccc(C)cc1-c1nn[nH]n1	ZINC001588424960	963272597	/nfs/dbraw/zinc/27/25/97/963272597.db2.gz	RZTCSHSRLMZAGE-UHFFFAOYSA-N	-1	0	260.366	3.233	20	30		CGEDRM
C=CC[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1	ZINC001588452676	963277759	/nfs/dbraw/zinc/27/77/59/963277759.db2.gz	QKJRDZDYWPPTSI-OAHLLOKOSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C=CCCCC(=O)N1CCCc2cc(C(=O)[O-])ccc21	ZINC001588457796	963279367	/nfs/dbraw/zinc/27/93/67/963279367.db2.gz	DRRSVBYZFZQZIN-UHFFFAOYSA-N	-1	0	273.332	3.020	20	30		CGEDRM
C=CCC1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCCC1	ZINC001588458119	963279606	/nfs/dbraw/zinc/27/96/06/963279606.db2.gz	QTMCUKKBSXIMNL-UHFFFAOYSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C(C)C[C@H](Nc1ncnc2sc(CC)cc21)C(=O)[O-]	ZINC001588554424	963282269	/nfs/dbraw/zinc/28/22/69/963282269.db2.gz	GZYZTGGABQUXPN-NSHDSACASA-N	-1	0	291.376	3.085	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)OC1CCC(CC(=O)[O-])CC1	ZINC001588535289	963286875	/nfs/dbraw/zinc/28/68/75/963286875.db2.gz	GYVZDERODYXPQX-PNESKVBLSA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC001588629357	963293420	/nfs/dbraw/zinc/29/34/20/963293420.db2.gz	INCPMGLYAMZDDO-UHFFFAOYSA-N	-1	0	288.130	3.353	20	30		CGEDRM
C=C(CC)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1	ZINC001588605727	963294328	/nfs/dbraw/zinc/29/43/28/963294328.db2.gz	KNCPYQCLXGJKAD-AWEZNQCLSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc2c3c(cccc31)CC2	ZINC001588633649	963294586	/nfs/dbraw/zinc/29/45/86/963294586.db2.gz	LOYNUJIFIYCBBH-UHFFFAOYSA-N	-1	0	295.338	3.298	20	30		CGEDRM
C=CC(C)(C)C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588671773	963300288	/nfs/dbraw/zinc/30/02/88/963300288.db2.gz	ILMHFYSIQCZXDQ-UHFFFAOYSA-N	-1	0	282.723	3.294	20	30		CGEDRM
C=C[C@H](Nc1cc(NC(=O)C(C)(C)C)ccc1C)C(=O)[O-]	ZINC001588702049	963303489	/nfs/dbraw/zinc/30/34/89/963303489.db2.gz	HGMIXBVUZZEDAX-LBPRGKRZSA-N	-1	0	290.363	3.031	20	30		CGEDRM
C=C[C@H](Sc1nc2ccc(F)cc2s1)C(=O)[O-]	ZINC001588714380	963305070	/nfs/dbraw/zinc/30/50/70/963305070.db2.gz	GGENMVYPTRAYKD-QMMMGPOBSA-N	-1	0	269.322	3.167	20	30		CGEDRM
C=C[C@H](Nc1ccccc1COC(C)(C)CC)C(=O)[O-]	ZINC001588701971	963307068	/nfs/dbraw/zinc/30/70/68/963307068.db2.gz	FFILLPFYCQMGQX-ZDUSSCGKSA-N	-1	0	277.364	3.443	20	30		CGEDRM
C=C[C@H](Nc1ccc(Oc2cccnc2)c(C)c1)C(=O)[O-]	ZINC001588702232	963307205	/nfs/dbraw/zinc/30/72/05/963307205.db2.gz	NSEBPOXPBWFDJH-AWEZNQCLSA-N	-1	0	284.315	3.233	20	30		CGEDRM
C=CC[C@H](Nc1ccc(C)c(OCC(F)F)c1)C(=O)[O-]	ZINC001588751269	963310589	/nfs/dbraw/zinc/31/05/89/963310589.db2.gz	KNWLANVCEIKLMK-NSHDSACASA-N	-1	0	285.290	3.080	20	30		CGEDRM
C=CCC(F)(F)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-]	ZINC001588742853	963312037	/nfs/dbraw/zinc/31/20/37/963312037.db2.gz	LYWAVGDMTGKLPH-UHFFFAOYSA-N	-1	0	283.274	3.152	20	30		CGEDRM
C=CCC[C@@H](C(=O)O[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC001588776939	963314564	/nfs/dbraw/zinc/31/45/64/963314564.db2.gz	NXOFTUXQHJYWIL-GXTWGEPZSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C=CCCC(=O)N(c1ccccc1C(=O)[O-])C1CCC1	ZINC001588773750	963315483	/nfs/dbraw/zinc/31/54/83/963315483.db2.gz	IEQRTFZQBWVSHS-UHFFFAOYSA-N	-1	0	273.332	3.237	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-]	ZINC001588790443	963317529	/nfs/dbraw/zinc/31/75/29/963317529.db2.gz	WZVWPPJXZJZNRH-KGLIPLIRSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCC1(C(=O)OCc2ccccc2C(=O)[O-])CCC1	ZINC001588767092	963318338	/nfs/dbraw/zinc/31/83/38/963318338.db2.gz	ILGHTAJTYJIGDT-UHFFFAOYSA-N	-1	0	274.316	3.174	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1	ZINC001588832921	963320994	/nfs/dbraw/zinc/32/09/94/963320994.db2.gz	YBRGPBMNPMLTHQ-UHFFFAOYSA-N	-1	0	285.343	3.474	20	30		CGEDRM
C=CCCCOc1c(C(=O)[O-])cncc1C(F)(F)F	ZINC001588803714	963323934	/nfs/dbraw/zinc/32/39/34/963323934.db2.gz	GBJJFOXZRRUADT-UHFFFAOYSA-N	-1	0	275.226	3.144	20	30		CGEDRM
C=CCOc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001588872816	963327040	/nfs/dbraw/zinc/32/70/40/963327040.db2.gz	LQLKYYYPJCDBAR-SREVYHEPSA-N	-1	0	298.294	3.439	20	30		CGEDRM
C=CCOc1ccc(O[C@@H](C)c2nc(C(=O)[O-])co2)cc1	ZINC001588872965	963327782	/nfs/dbraw/zinc/32/77/82/963327782.db2.gz	WNDIYFXNMYTUBR-JTQLQIEISA-N	-1	0	289.287	3.078	20	30		CGEDRM
C[C@H](CCC#N)CN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC001589011999	963337571	/nfs/dbraw/zinc/33/75/71/963337571.db2.gz	BUTGJAXEPOYULW-TZMCWYRMSA-N	-1	0	272.348	3.005	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001588440760	964043254	/nfs/dbraw/zinc/04/32/54/964043254.db2.gz	PJTOEHJTOXRWLW-UHFFFAOYSA-N	-1	0	291.322	3.355	20	30		CGEDRM
Cc1cc(F)c(C#N)c(N[C@@H](Cc2ccccc2)C(=O)[O-])c1	ZINC001605179135	972891465	/nfs/dbraw/zinc/89/14/65/972891465.db2.gz	JJPBJIPJVJSWQU-INIZCTEOSA-N	-1	0	298.317	3.114	20	30		CGEDRM
CC[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)[O-]	ZINC001603585849	973756244	/nfs/dbraw/zinc/75/62/44/973756244.db2.gz	NEPMDWBLOIWEBB-HNNXBMFYSA-N	-1	0	297.314	3.021	20	30		CGEDRM
CCC/C(C)=C\C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001595566051	981459055	/nfs/dbraw/zinc/45/90/55/981459055.db2.gz	MTXHJTMLKWPKLL-FLIBITNWSA-N	-1	0	287.315	3.046	20	30		CGEDRM
CCCC[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC001595634371	981886283	/nfs/dbraw/zinc/88/62/83/981886283.db2.gz	MTIUJQRJDZWSCI-UXYFDLPDSA-N	-1	0	269.728	3.108	20	30		CGEDRM
CCCCCCCCCN(C)c1nccc(C(=O)[O-])n1	ZINC001595704761	982278632	/nfs/dbraw/zinc/27/86/32/982278632.db2.gz	GSGWZXUPJDWYPU-UHFFFAOYSA-N	-1	0	279.384	3.362	20	30		CGEDRM
CCCCCCCCCN(C)C(=O)c1cc(C(=O)[O-])no1	ZINC001595704967	982282005	/nfs/dbraw/zinc/28/20/05/982282005.db2.gz	MEDINMGNCUWLDK-UHFFFAOYSA-N	-1	0	296.367	3.195	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)c1cc(C(=O)[O-])on1	ZINC001595705263	982283475	/nfs/dbraw/zinc/28/34/75/982283475.db2.gz	TUZUHXVCBJEXMV-LLVKDONJSA-N	-1	0	296.367	3.099	20	30		CGEDRM
CCc1ccccc1NN=C(C)c1cc(C(=O)[O-])co1	ZINC001597614969	988526950	/nfs/dbraw/zinc/52/69/50/988526950.db2.gz	MZTZJXDILJSRMT-UHFFFAOYSA-N	-1	0	272.304	3.376	20	30		CGEDRM
N#Cc1cc(Cl)ccc1N1CCC(CCC(=O)[O-])CC1	ZINC000052856449	345108246	/nfs/dbraw/zinc/10/82/46/345108246.db2.gz	IWAXHBDSFZUNLC-UHFFFAOYSA-N	-1	0	292.766	3.293	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCCC2)s1	ZINC000069579408	345382261	/nfs/dbraw/zinc/38/22/61/345382261.db2.gz	GCDNBKYAIJGIGW-UHFFFAOYSA-N	-1	0	287.406	3.282	20	30		CGEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(Cl)s2)nc(C)n1	ZINC000075442259	345507909	/nfs/dbraw/zinc/50/79/09/345507909.db2.gz	WNGVYEFRFHRLBG-SECBINFHSA-N	-1	0	291.763	3.298	20	30		CGEDRM
N#Cc1nc2ccccc2cc1-c1ccccc1C(=O)[O-]	ZINC000158367535	346164501	/nfs/dbraw/zinc/16/45/01/346164501.db2.gz	WDUZIGRRFIRQHR-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1ccc(CCN=c2nc(C3CCCC3)[n-]s2)cc1	ZINC000596321548	347416509	/nfs/dbraw/zinc/41/65/09/347416509.db2.gz	IZMSICXJIDSZLG-UHFFFAOYSA-N	-1	0	298.415	3.144	20	30		CGEDRM
CS[C@@H]1CCCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596290977	347411399	/nfs/dbraw/zinc/41/13/99/347411399.db2.gz	SBOPPTAJONOJHO-VXNVDRBHSA-N	-1	0	287.841	3.176	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2cccc(C(F)F)c2C#N)C1	ZINC000595968235	347373313	/nfs/dbraw/zinc/37/33/13/347373313.db2.gz	JDSRNPQYZXYQSI-ZJUUUORDSA-N	-1	0	294.301	3.043	20	30		CGEDRM
C[C@@H]1CN(c2cccc(C(F)F)c2C#N)CC[C@@H]1C(=O)[O-]	ZINC000600802110	347837879	/nfs/dbraw/zinc/83/78/79/347837879.db2.gz	SIIMXYOZWMTKSV-ZJUUUORDSA-N	-1	0	294.301	3.043	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1CCC#N	ZINC000601939253	347926678	/nfs/dbraw/zinc/92/66/78/347926678.db2.gz	MWKFSPOAQUKGPL-GFCCVEGCSA-N	-1	0	295.264	3.348	20	30		CGEDRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(C#N)c1	ZINC000601985424	347931101	/nfs/dbraw/zinc/93/11/01/347931101.db2.gz	VWSZVJMMYHMETI-INIZCTEOSA-N	-1	0	288.347	3.024	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000608552728	348317392	/nfs/dbraw/zinc/31/73/92/348317392.db2.gz	AJRDOJAXCUEELD-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C[C@H](N=c1[n-]nc(C(F)(F)F)s1)c1cccc(C#N)c1	ZINC000614135623	348651912	/nfs/dbraw/zinc/65/19/12/348651912.db2.gz	ISCTXKJZPBYDCL-ZETCQYMHSA-N	-1	0	298.293	3.024	20	30		CGEDRM
C[C@H](N=c1nc(-c2ccccc2)o[n-]1)c1cccc(C#N)c1	ZINC000613855275	348635979	/nfs/dbraw/zinc/63/59/79/348635979.db2.gz	DZHOQLDSWHBFGE-LBPRGKRZSA-N	-1	0	290.326	3.203	20	30		CGEDRM
C[C@@H](CCNC(=O)c1cc(O)cc(C#N)c1)CC(C)(C)C	ZINC000615491069	348744738	/nfs/dbraw/zinc/74/47/38/348744738.db2.gz	PCDHLFYDEVEXIJ-LBPRGKRZSA-N	-1	0	288.391	3.456	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000617781329	349010278	/nfs/dbraw/zinc/01/02/78/349010278.db2.gz	KALGNOBLOYZZFU-JTQLQIEISA-N	-1	0	281.302	3.099	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000630319788	350823369	/nfs/dbraw/zinc/82/33/69/350823369.db2.gz	HWICSGQUTWKJLQ-UKRRQHHQSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000630327041	350823797	/nfs/dbraw/zinc/82/37/97/350823797.db2.gz	VMQJQEIOABBLGX-KGLIPLIRSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)[O-]	ZINC000630326390	350823844	/nfs/dbraw/zinc/82/38/44/350823844.db2.gz	PHTBRIHDDAHCJD-OCCSQVGLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-]	ZINC000630951921	350914310	/nfs/dbraw/zinc/91/43/10/350914310.db2.gz	QTBDJGXBISOHIQ-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(F)cc(Cl)c2[O-])C1	ZINC000632517285	351203190	/nfs/dbraw/zinc/20/31/90/351203190.db2.gz	HCSIODKSOSHYFP-UHFFFAOYSA-N	-1	0	269.703	3.480	20	30		CGEDRM
C=CC[C@H]1N(C(=O)C(C)(C)CCC(=O)[O-])CCCC1(C)C	ZINC000634936263	351605818	/nfs/dbraw/zinc/60/58/18/351605818.db2.gz	DUAQIYPSRNCGAE-CYBMUJFWSA-N	-1	0	295.423	3.471	20	30		CGEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1	ZINC000041497232	369188083	/nfs/dbraw/zinc/18/80/83/369188083.db2.gz	SHAOHEKXRKASJR-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)s1	ZINC000042317773	369213794	/nfs/dbraw/zinc/21/37/94/369213794.db2.gz	GJUSBZVDKJYRDL-UHFFFAOYSA-N	-1	0	275.395	3.138	20	30		CGEDRM
Cc1cscc1[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000161626509	372341656	/nfs/dbraw/zinc/34/16/56/372341656.db2.gz	SJFDDABDGGHEEU-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CCc1occc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000430529934	372390072	/nfs/dbraw/zinc/39/00/72/372390072.db2.gz	JHWNZDGRNKCHMG-LLVKDONJSA-N	-1	0	280.283	3.473	20	30		CGEDRM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)s1	ZINC000311848464	374260078	/nfs/dbraw/zinc/26/00/78/374260078.db2.gz	IPERLVDWZQKTTK-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc3c(n2)CCCC3)n1	ZINC000532757734	375954080	/nfs/dbraw/zinc/95/40/80/375954080.db2.gz	QOQPGXVSDWNZTJ-GFCCVEGCSA-N	-1	0	297.383	3.215	20	30		CGEDRM
Cc1nc(NC[C@@H](CC(C)C)C(=O)[O-])c(Cl)cc1C#N	ZINC000336834133	375996923	/nfs/dbraw/zinc/99/69/23/375996923.db2.gz	QDGSDTBXFMVJFJ-LLVKDONJSA-N	-1	0	295.770	3.074	20	30		CGEDRM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230333660	376506661	/nfs/dbraw/zinc/50/66/61/376506661.db2.gz	RPLMNMORLDRNDY-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2)ccc1CC#N	ZINC000563206212	377421377	/nfs/dbraw/zinc/42/13/77/377421377.db2.gz	FZGQFSUKBDXXQM-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
C=CCNC(=S)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000730954795	572387462	/nfs/dbraw/zinc/38/74/62/572387462.db2.gz	KVWULQXWCGOVQK-LLVKDONJSA-N	-1	0	291.445	3.411	20	30		CGEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000182841710	542225826	/nfs/dbraw/zinc/22/58/26/542225826.db2.gz	RVUNEUZIGZQKGF-CYBMUJFWSA-N	-1	0	284.340	3.144	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1	ZINC000345394928	378276064	/nfs/dbraw/zinc/27/60/64/378276064.db2.gz	LGGAKTILKBNQOA-LLVKDONJSA-N	-1	0	279.299	3.263	20	30		CGEDRM
Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1C(=O)[O-]	ZINC000346002959	378436589	/nfs/dbraw/zinc/43/65/89/378436589.db2.gz	XJLOXUSASRUIJN-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C[C@@H]1CCc2sc(C([O-])=C(C#N)c3ccncn3)cc2C1	ZINC000354481818	380454865	/nfs/dbraw/zinc/45/48/65/380454865.db2.gz	YQEYLSFZDSEHHC-ZYHUDNBSSA-N	-1	0	297.383	3.153	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc(C3CCC3)cn2)cc1[O-]	ZINC000360072514	381436804	/nfs/dbraw/zinc/43/68/04/381436804.db2.gz	AIBOPNPFHNMEMH-UHFFFAOYSA-N	-1	0	293.326	3.179	20	30		CGEDRM
CC(=Cc1cn(C(C)C)nc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000281045715	195081103	/nfs/dbraw/zinc/08/11/03/195081103.db2.gz	RWLGFDTTXJAKRY-UXBLZVDNSA-N	-1	0	297.362	3.009	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1	ZINC000353895894	220393657	/nfs/dbraw/zinc/39/36/57/220393657.db2.gz	PCKJFUJPFIUZLF-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#Cc1cccnc1/C=C/c1cc(F)c([O-])c(F)c1	ZINC000336157106	392836703	/nfs/dbraw/zinc/83/67/03/392836703.db2.gz	HVCPYZPPIWSEFF-ONEGZZNKSA-N	-1	0	258.227	3.107	20	30		CGEDRM
Cc1cc(C)cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000519989761	392903899	/nfs/dbraw/zinc/90/38/99/392903899.db2.gz	LQNAHGAWZVIYBX-HYXAFXHYSA-N	-1	0	278.311	3.439	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cs1	ZINC000671780080	543189214	/nfs/dbraw/zinc/18/92/14/543189214.db2.gz	LRHUKPCEPWLCTA-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
N#Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1Cl	ZINC000061845257	175656104	/nfs/dbraw/zinc/65/61/04/175656104.db2.gz	MJXMSFCRAVOCEB-UHFFFAOYSA-N	-1	0	278.739	3.267	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000679104487	543591880	/nfs/dbraw/zinc/59/18/80/543591880.db2.gz	CSRDSRAFKTWFNN-CQSZACIVSA-N	-1	0	293.407	3.104	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)co1	ZINC000681351722	543782217	/nfs/dbraw/zinc/78/22/17/543782217.db2.gz	ICRSFCTVNYIGDP-LBPRGKRZSA-N	-1	0	291.310	3.275	20	30		CGEDRM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000334655066	225258419	/nfs/dbraw/zinc/25/84/19/225258419.db2.gz	LWNFMIVHFIOYSS-SREIQFSDSA-N	-1	0	285.130	3.187	20	30		CGEDRM
CCC(=O)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1	ZINC000685451601	544071995	/nfs/dbraw/zinc/07/19/95/544071995.db2.gz	SGPJFYZVHREIRN-UHFFFAOYSA-N	-1	0	294.310	3.109	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccc(C#N)n2)n1	ZINC000685788494	544096683	/nfs/dbraw/zinc/09/66/83/544096683.db2.gz	JOKIZQSVVSQFRQ-NSHDSACASA-N	-1	0	296.355	3.023	20	30		CGEDRM
CCS[C@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)C(C)C	ZINC000066629090	260247568	/nfs/dbraw/zinc/24/75/68/260247568.db2.gz	SBEGCGWLVXYMAY-LURJTMIESA-N	-1	0	296.318	3.189	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)cc1	ZINC000049514247	260662034	/nfs/dbraw/zinc/66/20/34/260662034.db2.gz	ZJDQESYLRZAALR-UHFFFAOYSA-N	-1	0	295.404	3.210	20	30		CGEDRM
C=CCCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000237946882	260713846	/nfs/dbraw/zinc/71/38/46/260713846.db2.gz	WOUFPWBEELEXMX-UHFFFAOYSA-N	-1	0	299.326	3.208	20	30		CGEDRM
COCCCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000151836124	261055886	/nfs/dbraw/zinc/05/58/86/261055886.db2.gz	YIHVZBBMEOKGMD-UHFFFAOYSA-N	-1	0	293.411	3.159	20	30		CGEDRM
C=CCOc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1	ZINC000343245351	263820292	/nfs/dbraw/zinc/82/02/92/263820292.db2.gz	FQZRGUFNLLMRLE-UHFFFAOYSA-N	-1	0	287.388	3.014	20	30		CGEDRM
CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H](C)O	ZINC000331357636	264208698	/nfs/dbraw/zinc/20/86/98/264208698.db2.gz	UFIYLKCDRNUVNL-RCOVLWMOSA-N	-1	0	292.162	3.163	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000357511759	266313431	/nfs/dbraw/zinc/31/34/31/266313431.db2.gz	OJQXYVQXKMMJCY-VIFPVBQESA-N	-1	0	283.312	3.083	20	30		CGEDRM
Cc1ccc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188205771	327747142	/nfs/dbraw/zinc/74/71/42/327747142.db2.gz	YDVHBOAKDDFWJI-UHFFFAOYSA-N	-1	0	266.300	3.133	20	30		CGEDRM
O=C1c2ccc(O)cc2O/C1=C\c1cccnc1Cl	ZINC000171540066	329077302	/nfs/dbraw/zinc/07/73/02/329077302.db2.gz	GXMWFMIUKIJOND-SDQBBNPISA-N	-1	0	273.675	3.057	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccnc2)n1	ZINC000177747024	329186510	/nfs/dbraw/zinc/18/65/10/329186510.db2.gz	BOMXBYFHBPLCDR-NSHDSACASA-N	-1	0	271.345	3.152	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000398112074	329433747	/nfs/dbraw/zinc/43/37/47/329433747.db2.gz	YXINKIGLXVZCEV-BBRMVZONSA-N	-1	0	296.411	3.160	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000262975686	330037959	/nfs/dbraw/zinc/03/79/59/330037959.db2.gz	MYWQIWRYYNZANW-UKRRQHHQSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C/C(Cl)=C\Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000530160245	333526169	/nfs/dbraw/zinc/52/61/69/333526169.db2.gz	HPCXJCWZFJLJBO-JXMROGBWSA-N	-1	0	281.787	3.485	20	30		CGEDRM
N#Cc1ccc(/C=C/c2cc(F)c([O-])c(F)c2)nc1	ZINC000175324523	335180186	/nfs/dbraw/zinc/18/01/86/335180186.db2.gz	BATRDGZOLMQPES-HNQUOIGGSA-N	-1	0	258.227	3.107	20	30		CGEDRM
C=CCCCCCNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000566804579	334665157	/nfs/dbraw/zinc/66/51/57/334665157.db2.gz	GMUACHJBPFXORS-UHFFFAOYSA-N	-1	0	281.396	3.274	20	30		CGEDRM
Cc1ccc2oc(C([O-])=C(C#N)c3ccncn3)cc2c1	ZINC000354468048	534536126	/nfs/dbraw/zinc/53/61/26/534536126.db2.gz	OYGJRTZHNVZGCZ-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(C#N)c2)c1	ZINC000436652136	528462489	/nfs/dbraw/zinc/46/24/89/528462489.db2.gz	KFXVKHSMGZTVCH-UHFFFAOYSA-N	-1	0	294.310	3.109	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1cccnc1Cl)O2	ZINC000728699157	571815830	/nfs/dbraw/zinc/81/58/30/571815830.db2.gz	QLXHMIXTOSAJEA-SDQBBNPISA-N	-1	0	287.702	3.365	20	30		CGEDRM
C[C@H](NC(=O)[O-])c1ccc(NCc2ccc(C#N)cc2)cc1	ZINC000739017149	572398439	/nfs/dbraw/zinc/39/84/39/572398439.db2.gz	OCYXIALEZJUEDY-LBPRGKRZSA-N	-1	0	295.342	3.499	20	30		CGEDRM
CC(C)[C@@H](C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000739426202	572414012	/nfs/dbraw/zinc/41/40/12/572414012.db2.gz	KCAZOPSSSHEOHH-CEITULEQSA-N	-1	0	250.298	3.011	20	30		CGEDRM
O=C([O-])N1CCC[C@@H](/N=C/c2c(O)ccc3ccccc32)C1	ZINC000739924161	572426875	/nfs/dbraw/zinc/42/68/75/572426875.db2.gz	CMNNEBQQRKOMHR-HVOBPNNYSA-N	-1	0	298.342	3.107	20	30		CGEDRM
O=C([O-])c1cc(F)ccc1CON=Cc1cccc(F)c1	ZINC000740078890	572431209	/nfs/dbraw/zinc/43/12/09/572431209.db2.gz	WJANNCMTHGBICU-UHFFFAOYSA-N	-1	0	291.253	3.214	20	30		CGEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cccc2ncccc12	ZINC000740620649	572448737	/nfs/dbraw/zinc/44/87/37/572448737.db2.gz	RREUTTFRXOWSQY-NSHDSACASA-N	-1	0	298.346	3.070	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C/C=C/c2ccccc2)c1	ZINC000732925622	572492422	/nfs/dbraw/zinc/49/24/22/572492422.db2.gz	AWDNKQTUFPWFJG-RPECDIRHSA-N	-1	0	282.299	3.433	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)cc1	ZINC000742435946	572582416	/nfs/dbraw/zinc/58/24/16/572582416.db2.gz	CFRFKHKWGAGERY-FPYGCLRLSA-N	-1	0	294.306	3.311	20	30		CGEDRM
CCC(CC)NN=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000734366510	572649810	/nfs/dbraw/zinc/64/98/10/572649810.db2.gz	UYXBJEOSIBZAJZ-UHFFFAOYSA-N	-1	0	278.352	3.105	20	30		CGEDRM
CC(C)(C)CCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736252048	572777169	/nfs/dbraw/zinc/77/71/69/572777169.db2.gz	XTIYHWUUAQUHKH-CQSZACIVSA-N	-1	0	289.331	3.053	20	30		CGEDRM
Cc1ccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000748132089	572962358	/nfs/dbraw/zinc/96/23/58/572962358.db2.gz	QNQGEZAZABBOLS-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
O=[N+]([O-])c1ccc(C=NNc2ccc(F)cc2F)cc1[O-]	ZINC000748132763	572962489	/nfs/dbraw/zinc/96/24/89/572962489.db2.gz	ZZDXWKXDIXWIJW-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(C(F)F)cc2)c1	ZINC000748410841	572975842	/nfs/dbraw/zinc/97/58/42/572975842.db2.gz	RCUILBDOIATENL-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
CC(=NNc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749603336	573022711	/nfs/dbraw/zinc/02/27/11/573022711.db2.gz	GNVUJTVEIAEQHZ-UHFFFAOYSA-N	-1	0	271.276	3.137	20	30		CGEDRM
Cc1cc(NCc2ccc(C#N)cc2)ccc1C(=O)[O-]	ZINC000127280706	599960815	/nfs/dbraw/zinc/96/08/15/599960815.db2.gz	FOBJZDQZNZWGQG-UHFFFAOYSA-N	-1	0	266.300	3.177	20	30		CGEDRM
C=CCCCC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC000825664795	601126974	/nfs/dbraw/zinc/12/69/74/601126974.db2.gz	LTULHMSCXICSBW-AWEZNQCLSA-N	-1	0	275.348	3.239	20	30		CGEDRM
CCOc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000830094622	601331395	/nfs/dbraw/zinc/33/13/95/601331395.db2.gz	RVGJRVPWFSLEQH-CLFYSBASSA-N	-1	0	285.299	3.008	20	30		CGEDRM
CCc1oc(C(=O)[O-])cc1CNc1ccc(C#N)cc1	ZINC000830379438	601389359	/nfs/dbraw/zinc/38/93/59/601389359.db2.gz	WFXIYCBOASJEOE-UHFFFAOYSA-N	-1	0	270.288	3.024	20	30		CGEDRM
O=C([O-])c1ccc(CON=Cc2cccs2)cc1F	ZINC000833314650	601629135	/nfs/dbraw/zinc/62/91/35/601629135.db2.gz	IJPCWKWZHDNTBT-UHFFFAOYSA-N	-1	0	279.292	3.136	20	30		CGEDRM
CCCCCCCCCC(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000829356874	601660692	/nfs/dbraw/zinc/66/06/92/601660692.db2.gz	LPJLJUYMRNWVEQ-OAHLLOKOSA-N	-1	0	287.375	3.152	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/Cc3cc(Cl)ccc3C2=O)c[nH]1	ZINC000833297443	601794377	/nfs/dbraw/zinc/79/43/77/601794377.db2.gz	GESVCMKXHYOVRE-KMKOMSMNSA-N	-1	0	287.702	3.189	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000825660057	602165490	/nfs/dbraw/zinc/16/54/90/602165490.db2.gz	PEUVFNVVJFYNLJ-UHFFFAOYSA-N	-1	0	288.347	3.161	20	30		CGEDRM
N#CCN(CC(=O)[O-])Cc1ccc(C2CCCCC2)cc1	ZINC000833066815	602205226	/nfs/dbraw/zinc/20/52/26/602205226.db2.gz	JWPLFZOERYRSGW-UHFFFAOYSA-N	-1	0	286.375	3.144	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(NCc2ccc(C#N)o2)cc1	ZINC000825449150	603178980	/nfs/dbraw/zinc/17/89/80/603178980.db2.gz	KXQKOJWOLUEEQJ-SNVBAGLBSA-N	-1	0	285.303	3.092	20	30		CGEDRM
O=C(/C=C\c1ccnn1C1CCC1)c1ccccc1[O-]	ZINC000899362251	620668869	/nfs/dbraw/zinc/66/88/69/620668869.db2.gz	OCHWYDKTVQQGRM-HJWRWDBZSA-N	-1	0	268.316	3.210	20	30		CGEDRM
CCOc1ccc(NCc2cccc(C(=O)[O-])c2C#N)cc1	ZINC000833662606	604538869	/nfs/dbraw/zinc/53/88/69/604538869.db2.gz	HGNXDBXAHIZOCW-UHFFFAOYSA-N	-1	0	296.326	3.267	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1C)OCC	ZINC000833367139	604541995	/nfs/dbraw/zinc/54/19/95/604541995.db2.gz	IWILLBNWBOCVIP-CQSZACIVSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Oc1ccc(NC(=O)[O-])cc1)OCC	ZINC000833368642	604543482	/nfs/dbraw/zinc/54/34/82/604543482.db2.gz	OACKKPRSAUEWAE-ZDUSSCGKSA-N	-1	0	293.319	3.053	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1	ZINC000225174545	604626086	/nfs/dbraw/zinc/62/60/86/604626086.db2.gz	UMYOFASZZCEFBO-KTKRTIGZSA-N	-1	0	297.266	3.189	20	30		CGEDRM
CC(=NNCc1cccc(F)c1)c1ccc(C(=O)[O-])cc1	ZINC000825804582	604638704	/nfs/dbraw/zinc/63/87/04/604638704.db2.gz	MXIVOGYBKJNHFK-UHFFFAOYSA-N	-1	0	286.306	3.038	20	30		CGEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])s2)c(F)c1	ZINC000232362530	604648164	/nfs/dbraw/zinc/64/81/64/604648164.db2.gz	HTOFIJSJDCFIFK-UHFFFAOYSA-N	-1	0	277.276	3.036	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1Cl	ZINC000763369783	604668432	/nfs/dbraw/zinc/66/84/32/604668432.db2.gz	XGLDWHICYDYWOO-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1	ZINC000833370368	604748087	/nfs/dbraw/zinc/74/80/87/604748087.db2.gz	COCQOLIUEJYRCJ-GFCCVEGCSA-N	-1	0	296.326	3.078	20	30		CGEDRM
COc1ccc(C#N)cc1CNc1cccc(C(=O)[O-])c1C	ZINC000832153126	604984698	/nfs/dbraw/zinc/98/46/98/604984698.db2.gz	UJDQWHRYUWISOC-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833362854	605274487	/nfs/dbraw/zinc/27/44/87/605274487.db2.gz	NFWYGGFYKXLWNS-UHFFFAOYSA-N	-1	0	278.283	3.048	20	30		CGEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000135309343	605396520	/nfs/dbraw/zinc/39/65/20/605396520.db2.gz	AZIDQVIQKWFTLO-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
N#Cc1ccc(SCc2cccc(NC(=O)[O-])c2)nc1	ZINC000833976370	605574758	/nfs/dbraw/zinc/57/47/58/605574758.db2.gz	FSEYXSSOKHNVTN-UHFFFAOYSA-N	-1	0	285.328	3.335	20	30		CGEDRM
C#CCCCCCc1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000833361607	605577428	/nfs/dbraw/zinc/57/74/28/605577428.db2.gz	CZXYOYAAGNHUHN-UHFFFAOYSA-N	-1	0	284.315	3.171	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000819701069	605604976	/nfs/dbraw/zinc/60/49/76/605604976.db2.gz	ZHUHQEFMSBXIHE-UHFFFAOYSA-N	-1	0	277.295	3.046	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000049501839	617611315	/nfs/dbraw/zinc/61/13/15/617611315.db2.gz	LPSGOCACEHCGJQ-UHFFFAOYSA-N	-1	0	289.422	3.446	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C=C(C)c1ccc(F)cc1	ZINC000049416874	617607336	/nfs/dbraw/zinc/60/73/36/617607336.db2.gz	JJUGBLCYFPSYMP-KHPPLWFESA-N	-1	0	299.367	3.315	20	30		CGEDRM
CCC[C@@H](C(=O)[N-]S(=O)(=O)C(C)C)c1ccccc1	ZINC000049417745	617608110	/nfs/dbraw/zinc/60/81/10/617608110.db2.gz	BMMGAXHBEFZEIU-CYBMUJFWSA-N	-1	0	283.393	3.265	20	30		CGEDRM
CC(=NOC/C=C/Cl)c1cc(F)cc(F)c1[O-]	ZINC000811670291	617707917	/nfs/dbraw/zinc/70/79/17/617707917.db2.gz	OOPDWBNZCCNXQY-QZTIGZJLSA-N	-1	0	261.655	3.164	20	30		CGEDRM
Cc1c(F)cccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000255050837	617799099	/nfs/dbraw/zinc/79/90/99/617799099.db2.gz	OMNXMTZANGBNOG-UHFFFAOYSA-N	-1	0	274.251	3.499	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc1	ZINC000806578017	617803957	/nfs/dbraw/zinc/80/39/57/617803957.db2.gz	KLFRIJRBJLLPQM-XFFZJAGNSA-N	-1	0	299.713	3.256	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(F)cc1C)C(=O)[O-]	ZINC000900322633	620780891	/nfs/dbraw/zinc/78/08/91/620780891.db2.gz	OTWLYGWHCFUPOD-ZDUSSCGKSA-N	-1	0	294.326	3.065	20	30		CGEDRM
O=C(/C=C\c1ccc2c(c1)CCO2)c1ccccc1[O-]	ZINC000255336494	618209187	/nfs/dbraw/zinc/20/91/87/618209187.db2.gz	IODDFMMYPWXCMM-ALCCZGGFSA-N	-1	0	266.296	3.223	20	30		CGEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000089967974	618340922	/nfs/dbraw/zinc/34/09/22/618340922.db2.gz	ROAHYRVGKBPMQM-JYOAFUTRSA-N	-1	0	291.372	3.226	20	30		CGEDRM
CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000084692191	618540060	/nfs/dbraw/zinc/54/00/60/618540060.db2.gz	PTVUEHZUQFCEPJ-UHFFFAOYSA-N	-1	0	289.422	3.466	20	30		CGEDRM
Cc1ccc(CCC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176834710	618744281	/nfs/dbraw/zinc/74/42/81/618744281.db2.gz	VOFFSNBUFKHSHT-UHFFFAOYSA-N	-1	0	280.327	3.144	20	30		CGEDRM
O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc([O-])c(F)c1	ZINC000255620818	618765903	/nfs/dbraw/zinc/76/59/03/618765903.db2.gz	UYHATVOFGRXZSK-RJRFIUFISA-N	-1	0	284.286	3.362	20	30		CGEDRM
N#CCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000255697447	618778435	/nfs/dbraw/zinc/77/84/35/618778435.db2.gz	YVYQLUIDAYUUOU-UHFFFAOYSA-N	-1	0	281.271	3.117	20	30		CGEDRM
COc1cc(F)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000255738009	618783220	/nfs/dbraw/zinc/78/32/20/618783220.db2.gz	CKVNDDGRYZCDEB-UHFFFAOYSA-N	-1	0	290.250	3.199	20	30		CGEDRM
CCCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179738324	618800110	/nfs/dbraw/zinc/80/01/10/618800110.db2.gz	CJDSJNVHPHKFNS-GFCCVEGCSA-N	-1	0	260.337	3.419	20	30		CGEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000072595057	625312414	/nfs/dbraw/zinc/31/24/14/625312414.db2.gz	FSSYTIUYQBNKQN-VIFPVBQESA-N	-1	0	289.784	3.421	20	30		CGEDRM
COc1cc(C(=O)/C=C/c2ccc(O)cc2)ccc1O	ZINC000008322713	619245113	/nfs/dbraw/zinc/24/51/13/619245113.db2.gz	DSAIYCOKCDZCTB-XBXARRHUSA-N	-1	0	270.284	3.003	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CC1CCCC1	ZINC000048517955	619502509	/nfs/dbraw/zinc/50/25/09/619502509.db2.gz	KJEYGCHSVUAJAH-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
C#CCCN(Cc1cc(F)cc(F)c1[O-])CC(F)(F)F	ZINC000894474794	619549168	/nfs/dbraw/zinc/54/91/68/619549168.db2.gz	XROQKCCSYQDNIF-UHFFFAOYSA-N	-1	0	293.235	3.058	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000793164750	619701024	/nfs/dbraw/zinc/70/10/24/619701024.db2.gz	XWPDQODIQMYOQM-SECBINFHSA-N	-1	0	266.297	3.087	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000909464645	619749259	/nfs/dbraw/zinc/74/92/59/619749259.db2.gz	QITHCLJDRIMKHH-HNNXBMFYSA-N	-1	0	281.396	3.130	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCCCC(C)C	ZINC000814887355	619763645	/nfs/dbraw/zinc/76/36/45/619763645.db2.gz	QZYKGORLGQEIKM-UHFFFAOYSA-N	-1	0	264.325	3.227	20	30		CGEDRM
C[C@@H](F)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840707294	620087653	/nfs/dbraw/zinc/08/76/53/620087653.db2.gz	UNHGVKASSXXJGC-IOCLVDNSSA-N	-1	0	274.679	3.121	20	30		CGEDRM
Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1C#N	ZINC000799712825	620302448	/nfs/dbraw/zinc/30/24/48/620302448.db2.gz	KWIJJBUBJSUIBK-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(C)c(C)o1	ZINC000799865488	620306181	/nfs/dbraw/zinc/30/61/81/620306181.db2.gz	HAIPFDMPNFQNRQ-UHFFFAOYSA-N	-1	0	272.304	3.431	20	30		CGEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000073086691	625429669	/nfs/dbraw/zinc/42/96/69/625429669.db2.gz	BUPFFGAXSYTXNI-UHFFFAOYSA-N	-1	0	289.356	3.451	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2C[C@H]3CC[C@@H](C2)S3)c1	ZINC000899230478	620628260	/nfs/dbraw/zinc/62/82/60/620628260.db2.gz	IDWPUWCSUOESSS-CTZBCFRASA-N	-1	0	292.360	3.146	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cncn2C(C)C)cc(O)c1O	ZINC000901522680	620912345	/nfs/dbraw/zinc/91/23/45/620912345.db2.gz	MUIXWJJBNUMGBT-PLNGDYQASA-N	-1	0	286.331	3.080	20	30		CGEDRM
C=CC[C@@H](C)[C@H](C)Nc1cccc(OCC(=O)[O-])c1	ZINC000901577305	620944352	/nfs/dbraw/zinc/94/43/52/620944352.db2.gz	ARMMKVRQLIQVKO-NEPJUHHUSA-N	-1	0	263.337	3.163	20	30		CGEDRM
C=CCC[C@H](N[C@H](CCc1ccccc1)C(F)F)C(=O)[O-]	ZINC000901690774	620990487	/nfs/dbraw/zinc/99/04/87/620990487.db2.gz	QPIGYEDYTLZJME-KGLIPLIRSA-N	-1	0	297.345	3.262	20	30		CGEDRM
C=C(Cl)C[C@@H](N[C@H](C)c1cc2cnccc2o1)C(=O)[O-]	ZINC000901937727	621069820	/nfs/dbraw/zinc/06/98/20/621069820.db2.gz	DGINJIOSBVIMPM-MWLCHTKSSA-N	-1	0	294.738	3.074	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cccc(C(=O)[O-])c2OC)CC1	ZINC000906498865	622240337	/nfs/dbraw/zinc/24/03/37/622240337.db2.gz	FTBHWJUNJAYLON-UHFFFAOYSA-N	-1	0	289.331	3.078	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000907577138	622302118	/nfs/dbraw/zinc/30/21/18/622302118.db2.gz	PNWAMVRHRMYRNA-UKRRQHHQSA-N	-1	0	289.375	3.311	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000907583273	622302178	/nfs/dbraw/zinc/30/21/78/622302178.db2.gz	AWFWXWZSGXUIDU-IOASZLSFSA-N	-1	0	289.375	3.167	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000907643292	622304772	/nfs/dbraw/zinc/30/47/72/622304772.db2.gz	IDNGFEVEWNWMDS-NSHDSACASA-N	-1	0	291.347	3.072	20	30		CGEDRM
C=CC1(CC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)CCCCC1	ZINC000907749107	622310264	/nfs/dbraw/zinc/31/02/64/622310264.db2.gz	XNKUQPKEISDDFL-INIZCTEOSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3ccc(C(=O)[O-])cc32)CCC1	ZINC000908065137	622327277	/nfs/dbraw/zinc/32/72/77/622327277.db2.gz	IKVLRFQEJDHWOU-UHFFFAOYSA-N	-1	0	285.343	3.020	20	30		CGEDRM
C=C1CCC(C(=O)NC2(CC(=O)[O-])CCCCC2)CC1	ZINC000909058678	622387368	/nfs/dbraw/zinc/38/73/68/622387368.db2.gz	ITNCPSJEMPUXPZ-UHFFFAOYSA-N	-1	0	279.380	3.027	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000909836450	622429750	/nfs/dbraw/zinc/42/97/50/622429750.db2.gz	PTAPBEAXGPQONB-MEDUHNTESA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000909838226	622430219	/nfs/dbraw/zinc/43/02/19/622430219.db2.gz	ABFMOJUGZYYSDJ-NSHDSACASA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CCC(=O)[O-]	ZINC000909989944	622446904	/nfs/dbraw/zinc/44/69/04/622446904.db2.gz	OZHCDFYVVACNMO-GASCZTMLSA-N	-1	0	299.370	3.027	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910301210	622472633	/nfs/dbraw/zinc/47/26/33/622472633.db2.gz	IQIXBSQFSWJXHS-UONOGXRCSA-N	-1	0	287.359	3.416	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000911386904	622531114	/nfs/dbraw/zinc/53/11/14/622531114.db2.gz	KZOVWLNYYMXGRA-MRXNPFEDSA-N	-1	0	286.331	3.407	20	30		CGEDRM
O=C(/C=C/c1cnc2ccccn12)c1ccc(F)cc1[O-]	ZINC000156715883	622841311	/nfs/dbraw/zinc/84/13/11/622841311.db2.gz	NWRHQUFVYDXGMV-FNORWQNLSA-N	-1	0	282.274	3.075	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000045097805	622842948	/nfs/dbraw/zinc/84/29/48/622842948.db2.gz	FZKXEYINPJLDOO-UHFFFAOYSA-N	-1	0	297.376	3.115	20	30		CGEDRM
Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)O2	ZINC000915993461	624095533	/nfs/dbraw/zinc/09/55/33/624095533.db2.gz	QTWVUOWGUAGQLG-AUWJEWJLSA-N	-1	0	296.278	3.015	20	30		CGEDRM
Cc1nc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cs1	ZINC000916259490	624127711	/nfs/dbraw/zinc/12/77/11/624127711.db2.gz	KGZGYUVIWRIFCI-UHFFFAOYSA-N	-1	0	295.751	3.249	20	30		CGEDRM
Cc1ccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000916250136	624131823	/nfs/dbraw/zinc/13/18/23/624131823.db2.gz	MKDVMROOEICUIQ-UHFFFAOYSA-N	-1	0	271.276	3.055	20	30		CGEDRM
CC(CCc1ccco1)N=Nc1cccc(C(=O)[O-])c1	ZINC000917023425	624227817	/nfs/dbraw/zinc/22/78/17/624227817.db2.gz	UIENMTFMPBFQBA-UHFFFAOYSA-N	-1	0	272.304	3.398	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)o1	ZINC000175323045	624629690	/nfs/dbraw/zinc/62/96/90/624629690.db2.gz	HNVFWSPBBFFHSX-ONEGZZNKSA-N	-1	0	264.227	3.468	20	30		CGEDRM
CCOC(=O)c1ccc(C=CC(=O)c2sccc2[O-])o1	ZINC000184516372	625243134	/nfs/dbraw/zinc/24/31/34/625243134.db2.gz	HARPAIIUEHASHI-HWKANZROSA-N	-1	0	292.312	3.120	20	30		CGEDRM
N#CC[C@@H](NCc1c([O-])ccc(Cl)c1F)C(F)(F)F	ZINC000922648152	626025175	/nfs/dbraw/zinc/02/51/75/626025175.db2.gz	XDTTYQDWVNUTEV-SECBINFHSA-N	-1	0	296.651	3.119	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1c(F)cccc1F	ZINC000751133707	626376959	/nfs/dbraw/zinc/37/69/59/626376959.db2.gz	RPZJFHBMFVFWTM-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
O=C([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)F	ZINC000754747771	626586113	/nfs/dbraw/zinc/58/61/13/626586113.db2.gz	WSWMYILTCQBSKK-ZETCQYMHSA-N	-1	0	289.150	3.108	20	30		CGEDRM
CCC(=NO[C@H]1CCCCO1)c1cc(C(=O)[O-])ccc1F	ZINC000756895243	626739968	/nfs/dbraw/zinc/73/99/68/626739968.db2.gz	JRQHYUPLOHFROM-AWEZNQCLSA-N	-1	0	295.310	3.181	20	30		CGEDRM
CC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756906259	626740436	/nfs/dbraw/zinc/74/04/36/626740436.db2.gz	XGZWLYWPYNOWNY-JTQLQIEISA-N	-1	0	276.336	3.371	20	30		CGEDRM
O=C(/C=C/c1cccc2c1OCO2)c1cc(F)ccc1[O-]	ZINC000757468291	626781037	/nfs/dbraw/zinc/78/10/37/626781037.db2.gz	PZLJZQWOAUMXKE-GQCTYLIASA-N	-1	0	286.258	3.156	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccc(OCC#N)c2)c([O-])c1	ZINC000757475801	626782395	/nfs/dbraw/zinc/78/23/95/626782395.db2.gz	LKQOBKBVJSBMOT-SOFGYWHQSA-N	-1	0	293.322	3.499	20	30		CGEDRM
O=c1[n-]c(N=NC[C@@H]2CC=CCC2)nc2ccccc21	ZINC000757585168	626790853	/nfs/dbraw/zinc/79/08/53/626790853.db2.gz	ZHLYBQDFXIXKAH-LLVKDONJSA-N	-1	0	268.320	3.089	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000759091831	626873985	/nfs/dbraw/zinc/87/39/85/626873985.db2.gz	VOFYJKHYGMRFES-FNORWQNLSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CC(C)[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763369296	627154321	/nfs/dbraw/zinc/15/43/21/627154321.db2.gz	DVDIPKZUHDKEIE-LBPRGKRZSA-N	-1	0	275.352	3.394	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccccc2C2CC2)nc1	ZINC000763371949	627154919	/nfs/dbraw/zinc/15/49/19/627154919.db2.gz	NMNLMLAZBNNAIJ-UHFFFAOYSA-N	-1	0	281.315	3.103	20	30		CGEDRM
Cc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cn1	ZINC000764886878	627231547	/nfs/dbraw/zinc/23/15/47/627231547.db2.gz	UNTHSIQKLFHNNU-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
Cc1cc(Cl)ccc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000767385300	627404548	/nfs/dbraw/zinc/40/45/48/627404548.db2.gz	HHPOCIDBQGFQKM-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
CN(C(=O)c1c([O-])cccc1Cl)c1cccc(C#N)c1	ZINC000769725927	627574819	/nfs/dbraw/zinc/57/48/19/627574819.db2.gz	FPSDKBGNYJALDU-UHFFFAOYSA-N	-1	0	286.718	3.194	20	30		CGEDRM
CC(=NNc1ccc(C#N)cc1)c1sccc1[O-]	ZINC000769780299	627577341	/nfs/dbraw/zinc/57/73/41/627577341.db2.gz	HSFJLNIZTDWPKJ-UHFFFAOYSA-N	-1	0	257.318	3.161	20	30		CGEDRM
Cc1nn(C)c(Cl)c1C=CC(=O)c1sccc1[O-]	ZINC000773143387	627862587	/nfs/dbraw/zinc/86/25/87/627862587.db2.gz	RYLRRPRWXNEKGC-ONEGZZNKSA-N	-1	0	282.752	3.045	20	30		CGEDRM
COc1cc(C)c(C=CC(=O)c2sccc2[O-])c(C)n1	ZINC000773151876	627863070	/nfs/dbraw/zinc/86/30/70/627863070.db2.gz	YTGNJGKESBGVAC-SNAWJCMRSA-N	-1	0	289.356	3.370	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Cc3ccc(F)cc3C2=O)c1	ZINC000774131272	627949064	/nfs/dbraw/zinc/94/90/64/627949064.db2.gz	QADJQPUESMURGU-NTUHNPAUSA-N	-1	0	282.270	3.346	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cn1	ZINC000774314228	627975349	/nfs/dbraw/zinc/97/53/49/627975349.db2.gz	ZSKRZYIFNURKTK-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
N#Cc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC000775637260	628117678	/nfs/dbraw/zinc/11/76/78/628117678.db2.gz	MUKHMUDOMYRVFE-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1ccc(C(=O)[O-])cc1	ZINC000777458773	628273267	/nfs/dbraw/zinc/27/32/67/628273267.db2.gz	CWTMTCKFLOSZQR-UHFFFAOYSA-N	-1	0	275.226	3.078	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/Cc3c(cccc3F)C2=O)c1	ZINC000782199562	628624303	/nfs/dbraw/zinc/62/43/03/628624303.db2.gz	HGUSTUGKINWWJG-YWEYNIOJSA-N	-1	0	288.299	3.408	20	30		CGEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000782327662	628639020	/nfs/dbraw/zinc/63/90/20/628639020.db2.gz	HCTNPUGOKRRCIB-SOFGYWHQSA-N	-1	0	299.301	3.052	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCCCS2)c1	ZINC000783681316	628739168	/nfs/dbraw/zinc/73/91/68/628739168.db2.gz	CFIIFSSILAVTQP-UGMNDJHYSA-N	-1	0	280.349	3.005	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000783776902	628747596	/nfs/dbraw/zinc/74/75/96/628747596.db2.gz	MHWUCZWMXOMODY-GFCCVEGCSA-N	-1	0	282.727	3.005	20	30		CGEDRM
CC[C@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000783862132	628752416	/nfs/dbraw/zinc/75/24/16/628752416.db2.gz	IJJRZJWGWXJLEC-RYUDHWBXSA-N	-1	0	275.352	3.394	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cncs2)c1Cl	ZINC000787171624	629000059	/nfs/dbraw/zinc/00/00/59/629000059.db2.gz	CNRDGPKJUAIINQ-SNAWJCMRSA-N	-1	0	293.731	3.391	20	30		CGEDRM
CC(C)(C)C1CCN(N=Cc2ccccc2C(=O)[O-])CC1	ZINC000790180934	629189279	/nfs/dbraw/zinc/18/92/79/629189279.db2.gz	LPHMOXRHPQXUSJ-UHFFFAOYSA-N	-1	0	288.391	3.477	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1	ZINC000862543895	629397532	/nfs/dbraw/zinc/39/75/32/629397532.db2.gz	MPZHNBNNSYLDKK-SNVBAGLBSA-N	-1	0	288.372	3.155	20	30		CGEDRM
CC[C@H](NN=C(C)[C@H](C)C1CCCCC1)C(=O)[O-]	ZINC000793081361	629408839	/nfs/dbraw/zinc/40/88/39/629408839.db2.gz	KINRLLCTOMLBDQ-GWCFXTLKSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)C1CC(F)(F)C1	ZINC000863118503	629478282	/nfs/dbraw/zinc/47/82/82/629478282.db2.gz	ZKIFWBKUHGYQHI-UHFFFAOYSA-N	-1	0	286.253	3.357	20	30		CGEDRM
Cc1cccc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])n1	ZINC000863160526	629486045	/nfs/dbraw/zinc/48/60/45/629486045.db2.gz	IQUJGODWIUAYPP-NSHDSACASA-N	-1	0	277.368	3.459	20	30		CGEDRM
CCCCCCCC(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000864160382	629787658	/nfs/dbraw/zinc/78/76/58/629787658.db2.gz	LRBKOQXORZQYBQ-UHFFFAOYSA-N	-1	0	291.391	3.290	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC000864160459	629788245	/nfs/dbraw/zinc/78/82/45/629788245.db2.gz	MLLLHXPUMCYJDH-SNVBAGLBSA-N	-1	0	293.750	3.076	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000864189325	629795968	/nfs/dbraw/zinc/79/59/68/629795968.db2.gz	NZKODMVYKGXHOQ-GHMZBOCLSA-N	-1	0	289.803	3.161	20	30		CGEDRM
CC(C)(F)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000864347290	629816058	/nfs/dbraw/zinc/81/60/58/629816058.db2.gz	OANQFPXUSDFPDR-RZNTYIFUSA-N	-1	0	274.679	3.121	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1ccc2ccccc2n1	ZINC000796713344	629818420	/nfs/dbraw/zinc/81/84/20/629818420.db2.gz	HVDMJQFRJKASEJ-CYBMUJFWSA-N	-1	0	287.278	3.190	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1coc(C(C)C)n1	ZINC000799473517	630185771	/nfs/dbraw/zinc/18/57/71/630185771.db2.gz	HSOKRNLNVQYOQB-UHFFFAOYSA-N	-1	0	287.319	3.332	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1C#N	ZINC000799496993	630191092	/nfs/dbraw/zinc/19/10/92/630191092.db2.gz	CHVJQCQYQSSAEV-HWKANZROSA-N	-1	0	285.324	3.230	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2cc(C)ccc2[O-])ccc1C#N	ZINC000799497562	630191133	/nfs/dbraw/zinc/19/11/33/630191133.db2.gz	UYOKECIYDVGEGR-YVMONPNESA-N	-1	0	293.322	3.477	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccsc2)c1	ZINC000806558617	630566974	/nfs/dbraw/zinc/56/69/74/630566974.db2.gz	HQZDLCPYNYJKKM-PLNGDYQASA-N	-1	0	258.298	3.342	20	30		CGEDRM
CSC(C)(C)CCN=Nc1ccc(C(=O)[O-])cc1	ZINC000814680198	631620032	/nfs/dbraw/zinc/62/00/32/631620032.db2.gz	FJRAVWQCDFUZCK-UHFFFAOYSA-N	-1	0	266.366	3.314	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CC[C@H]1C1CCC1	ZINC000814768374	631635462	/nfs/dbraw/zinc/63/54/62/631635462.db2.gz	TZISZYLJEUXDEI-NSHDSACASA-N	-1	0	258.321	3.363	20	30		CGEDRM
CCCNN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000814804290	631643818	/nfs/dbraw/zinc/64/38/18/631643818.db2.gz	IPJYRPIGPRWRRJ-UHFFFAOYSA-N	-1	0	288.347	3.092	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NNc1ccnc(F)c1	ZINC000814901951	631671457	/nfs/dbraw/zinc/67/14/57/631671457.db2.gz	CIVZQYLDUZARLL-UHFFFAOYSA-N	-1	0	299.305	3.071	20	30		CGEDRM
COc1cc(F)ccc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814916864	631681075	/nfs/dbraw/zinc/68/10/75/631681075.db2.gz	XONANERTYJOWJP-UWVGGRQHSA-N	-1	0	294.326	3.123	20	30		CGEDRM
C[C@@H]1CC(=NN[C@H]2CCCCC2(C)C)CC[C@@H]1C(=O)[O-]	ZINC000814918054	631681166	/nfs/dbraw/zinc/68/11/66/631681166.db2.gz	ZJSQJNDEZCHFRG-XBFCOCLRSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(=NNCC1CCCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814933376	631688860	/nfs/dbraw/zinc/68/88/60/631688860.db2.gz	MLXKQBRWPORBTO-GFCCVEGCSA-N	-1	0	268.401	3.423	20	30		CGEDRM
CO[C@H](C#N)c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000844205099	635832362	/nfs/dbraw/zinc/83/23/62/635832362.db2.gz	NKLWOSGJUQWIAZ-OAHLLOKOSA-N	-1	0	267.284	3.263	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1cccnc1)C1CCCCC1	ZINC000869153568	633408842	/nfs/dbraw/zinc/40/88/42/633408842.db2.gz	CYMBDERMUHWTGX-XJKSGUPXSA-N	-1	0	288.391	3.368	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C(C)C)c(Cl)c1	ZINC000828158511	633576142	/nfs/dbraw/zinc/57/61/42/633576142.db2.gz	YVCPVFHEDJZMJS-UHFFFAOYSA-N	-1	0	295.766	3.176	20	30		CGEDRM
CCCCCC[C@H](C)n1[n-]c(C)c(CCC#N)c1=O	ZINC000871959697	633928590	/nfs/dbraw/zinc/92/85/90/633928590.db2.gz	OVWLLPRJLAZPNW-JSGCOSHPSA-N	-1	0	263.385	3.483	20	30		CGEDRM
C=CCC1(CN=Nc2ccccc2C(=O)[O-])CCOCC1	ZINC000872338531	634110469	/nfs/dbraw/zinc/11/04/69/634110469.db2.gz	RWMUAVUQORAKCS-UHFFFAOYSA-N	-1	0	288.347	3.155	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCOC1	ZINC000872379543	634126465	/nfs/dbraw/zinc/12/64/65/634126465.db2.gz	CBIZIOSTFZTPDW-SNVBAGLBSA-N	-1	0	294.326	3.128	20	30		CGEDRM
N#Cc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000834802650	634244718	/nfs/dbraw/zinc/24/47/18/634244718.db2.gz	CONLZECITKQTMO-PLNGDYQASA-N	-1	0	283.308	3.214	20	30		CGEDRM
CC(C)[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006297	634311945	/nfs/dbraw/zinc/31/19/45/634311945.db2.gz	CMKKOKKIGDBMIC-LLVKDONJSA-N	-1	0	261.325	3.004	20	30		CGEDRM
O=C([O-])C1CCC(=NN[C@@H]2CCc3c2cccc3F)CC1	ZINC000835021888	634323132	/nfs/dbraw/zinc/32/31/32/634323132.db2.gz	RPDBBYFPOHTDLI-GENIYJEYSA-N	-1	0	290.338	3.033	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000837266278	634879415	/nfs/dbraw/zinc/87/94/15/634879415.db2.gz	LSSJCHRJQMTPIM-UHFFFAOYSA-N	-1	0	267.275	3.193	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(C)(C)Oc1cccc(Cl)c1	ZINC000846538758	636194880	/nfs/dbraw/zinc/19/48/80/636194880.db2.gz	LDJDPQVBIMLKRO-UHFFFAOYSA-N	-1	0	283.755	3.121	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1ccc(F)cc1)C(C)C	ZINC000846546821	636198310	/nfs/dbraw/zinc/19/83/10/636198310.db2.gz	GOCDJJOYXKOBTQ-FZMZJTMJSA-N	-1	0	265.328	3.188	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1ccccc1OC(C)C	ZINC000848244565	636546305	/nfs/dbraw/zinc/54/63/05/636546305.db2.gz	AWIQTSVXSSSCOH-UHFFFAOYSA-N	-1	0	299.317	3.190	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000107821584	636647828	/nfs/dbraw/zinc/64/78/28/636647828.db2.gz	WIZZABAGCPIMHF-AWEZNQCLSA-N	-1	0	283.412	3.450	20	30		CGEDRM
Cn1ncc(C2CCC2)c1C=CC(=O)c1sccc1[O-]	ZINC000849250609	636781708	/nfs/dbraw/zinc/78/17/08/636781708.db2.gz	VLOQUMNJCMZUFA-WAYWQWQTSA-N	-1	0	288.372	3.351	20	30		CGEDRM
N#C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1	ZINC000109290424	637038708	/nfs/dbraw/zinc/03/87/08/637038708.db2.gz	GSOWKNXADAGCCT-QMMMGPOBSA-N	-1	0	297.063	3.237	20	30		CGEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C2CCCC2)c1	ZINC000850761318	637147059	/nfs/dbraw/zinc/14/70/59/637147059.db2.gz	KHNQOXMPKGMBAA-MRXNPFEDSA-N	-1	0	298.386	3.191	20	30		CGEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1	ZINC000850768372	637147962	/nfs/dbraw/zinc/14/79/62/637147962.db2.gz	PRIPBTDRSYJSAK-MRXNPFEDSA-N	-1	0	298.386	3.191	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1c2ccccc2nnc1C(=O)[O-]	ZINC000851705227	637468025	/nfs/dbraw/zinc/46/80/25/637468025.db2.gz	FRQJBTIVLMEABT-TXEJJXNPSA-N	-1	0	295.342	3.015	20	30		CGEDRM
C=C1CCC(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1	ZINC000887328042	637798704	/nfs/dbraw/zinc/79/87/04/637798704.db2.gz	JDFKJCJTMJNVJE-UHFFFAOYSA-N	-1	0	287.359	3.389	20	30		CGEDRM
Cc1c(N=NC2CCCSCC2)cccc1C(=O)[O-]	ZINC000853369910	637826504	/nfs/dbraw/zinc/82/65/04/637826504.db2.gz	AXRHWYVJZBXYAI-UHFFFAOYSA-N	-1	0	278.377	3.378	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2ccc(C)cc2)CCC1	ZINC000856027318	638286387	/nfs/dbraw/zinc/28/63/87/638286387.db2.gz	HWUZPNPXGAIYOF-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000048407551	640052687	/nfs/dbraw/zinc/05/26/87/640052687.db2.gz	LXUPEAYYPLKCJI-YGRLFVJLSA-N	-1	0	289.356	3.141	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)C1CC1	ZINC000048474907	640055434	/nfs/dbraw/zinc/05/54/34/640055434.db2.gz	MSMWEENUMATAGB-FMIVXFBMSA-N	-1	0	293.388	3.305	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519783	640055987	/nfs/dbraw/zinc/05/59/87/640055987.db2.gz	KBNZDGMPBKFQQA-UHFFFAOYSA-N	-1	0	291.319	3.046	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1)C1CC1	ZINC000048518401	640056870	/nfs/dbraw/zinc/05/68/70/640056870.db2.gz	FGAKDRKEODCBAZ-PVHUKWJHSA-N	-1	0	291.372	3.300	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1Cl	ZINC000080302368	640464720	/nfs/dbraw/zinc/46/47/20/640464720.db2.gz	YFODCDNEXZUPNT-UHFFFAOYSA-N	-1	0	289.784	3.340	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1ccccc1C#N	ZINC001250582208	805707522	/nfs/dbraw/zinc/70/75/22/805707522.db2.gz	BVKJFYUIIFABHO-UHFFFAOYSA-N	-1	0	267.284	3.322	20	30		CGEDRM
N#Cc1cc(-c2c(F)cc(C(=O)[O-])cc2F)ccc1F	ZINC001250637627	805743343	/nfs/dbraw/zinc/74/33/43/805743343.db2.gz	JCFMILZPUCMNND-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1cc(Cl)cc2[nH]c(-c3cc(C#N)ccc3[O-])nc21	ZINC001251180106	805859713	/nfs/dbraw/zinc/85/97/13/805859713.db2.gz	BTLPBQFIMMGFPR-UHFFFAOYSA-N	-1	0	299.717	3.469	20	30		CGEDRM
Cc1coc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001211655340	814926365	/nfs/dbraw/zinc/92/63/65/814926365.db2.gz	WAYNLHVJSLJKMN-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)cnc2C)ccc1C(=O)[O-]	ZINC001211652861	814926889	/nfs/dbraw/zinc/92/68/89/814926889.db2.gz	QNBBANOSOLMCSZ-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1cccc(-c2nnc(-c3cccc(F)c3)o2)c1[O-]	ZINC001254212590	806366017	/nfs/dbraw/zinc/36/60/17/806366017.db2.gz	LUGKNRTVSDWTEQ-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000046929268	798890813	/nfs/dbraw/zinc/89/08/13/798890813.db2.gz	XYPGONLOYQAQQQ-UHFFFAOYSA-N	-1	0	283.393	3.385	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)C1CC1	ZINC000176520531	799098529	/nfs/dbraw/zinc/09/85/29/799098529.db2.gz	NXVCVUSTNYJNOJ-IINYFYTJSA-N	-1	0	294.354	3.414	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1	ZINC000379054562	799346595	/nfs/dbraw/zinc/34/65/95/799346595.db2.gz	MXPKGOCJVFCPBC-QWHCGFSZSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCCCCCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000398929233	799533264	/nfs/dbraw/zinc/53/32/64/799533264.db2.gz	OAJWVTZWUATJBJ-UONOGXRCSA-N	-1	0	298.427	3.099	20	30		CGEDRM
O=C(C=Cc1ccc2c(c1)OCCO2)c1sccc1[O-]	ZINC000588495755	799701386	/nfs/dbraw/zinc/70/13/86/799701386.db2.gz	NPFBPURDUJIZAD-IWQZZHSRSA-N	-1	0	288.324	3.121	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000716503306	800173809	/nfs/dbraw/zinc/17/38/09/800173809.db2.gz	AFQYBBJWLGSROF-UHFFFAOYSA-N	-1	0	275.348	3.025	20	30		CGEDRM
O=C([O-])c1cc(/C=C2\Cc3c(cccc3F)C2=O)ccc1O	ZINC000809154146	800413387	/nfs/dbraw/zinc/41/33/87/800413387.db2.gz	OANJBQZFCHQVPM-UXBLZVDNSA-N	-1	0	298.269	3.052	20	30		CGEDRM
CC1(C)CCC/C(=C/c2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000809157254	800414651	/nfs/dbraw/zinc/41/46/51/800414651.db2.gz	IVZDUJDIHZCGJK-FLIBITNWSA-N	-1	0	274.316	3.253	20	30		CGEDRM
N#Cc1ccsc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC001256715501	806952923	/nfs/dbraw/zinc/95/29/23/806952923.db2.gz	ZIYQQEHJLUWKQX-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
N#Cc1nc(Cl)ccc1Nc1ccc(C(=O)[O-])s1	ZINC001174806003	809166818	/nfs/dbraw/zinc/16/68/18/809166818.db2.gz	NIXCWXNYVNRTQY-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC001120097524	802735014	/nfs/dbraw/zinc/73/50/14/802735014.db2.gz	HKHXRFUXHDZXCP-SECBINFHSA-N	-1	0	286.158	3.490	20	30		CGEDRM
Cc1noc(C(C)C)c1C([O-])=C(C#N)c1cccc(F)n1	ZINC001122714732	802881914	/nfs/dbraw/zinc/88/19/14/802881914.db2.gz	OFFFNLLIGMEORB-JTQLQIEISA-N	-1	0	287.294	3.131	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(C3(C#N)CC3)ccn2)c1	ZINC001244176326	803225987	/nfs/dbraw/zinc/22/59/87/803225987.db2.gz	DOKIMMMKIIBDFY-UHFFFAOYSA-N	-1	0	294.310	3.011	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2nc(C(C)C)ccc2C#N)c1	ZINC001244176221	803226261	/nfs/dbraw/zinc/22/62/61/803226261.db2.gz	RSINVUXGGDNPEM-UHFFFAOYSA-N	-1	0	296.326	3.450	20	30		CGEDRM
Cc1cc(C#N)cc(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC001129808939	803255989	/nfs/dbraw/zinc/25/59/89/803255989.db2.gz	HUBBXPQERAWXQA-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
C=CCN(C(=O)c1cccc(Cl)c1[O-])C(C)(C)C	ZINC001131104924	803311775	/nfs/dbraw/zinc/31/17/75/803311775.db2.gz	WXFSZCQDILBUDO-UHFFFAOYSA-N	-1	0	267.756	3.472	20	30		CGEDRM
N#Cc1cccc(-c2ccc(OC(F)(F)F)cc2[O-])n1	ZINC001244463678	803381367	/nfs/dbraw/zinc/38/13/67/803381367.db2.gz	KYKJDOZKQCSDPB-UHFFFAOYSA-N	-1	0	280.205	3.224	20	30		CGEDRM
N#Cc1nccnc1-c1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC001244510697	803412331	/nfs/dbraw/zinc/41/23/31/803412331.db2.gz	LTKFTDWOKOSDMR-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
COc1cc(-c2cc(C)c([O-])c(Cl)c2)ncc1C#N	ZINC001244530298	803422168	/nfs/dbraw/zinc/42/21/68/803422168.db2.gz	JXSXEYQDQNAVBV-UHFFFAOYSA-N	-1	0	274.707	3.296	20	30		CGEDRM
N#Cc1c(F)cncc1-c1ccc(Cl)c([O-])c1F	ZINC001244631955	803475084	/nfs/dbraw/zinc/47/50/84/803475084.db2.gz	BPCLBHPXCUORLO-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2Cl)cn1	ZINC001245372549	803718046	/nfs/dbraw/zinc/71/80/46/803718046.db2.gz	VHSDAAHGNBDYSZ-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cn1	ZINC001211960750	814962162	/nfs/dbraw/zinc/96/21/62/814962162.db2.gz	LCVZCIKVIJKCRA-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1cc(Nc2ccc(O)c(F)c2F)c([O-])cc1F	ZINC001212014104	814968265	/nfs/dbraw/zinc/96/82/65/814968265.db2.gz	ZWSZYPAVTMEWHW-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc([O-])c(F)c(F)c2F)nc1C	ZINC001245636228	803871397	/nfs/dbraw/zinc/87/13/97/803871397.db2.gz	KGFXIHIJDBIJJH-UHFFFAOYSA-N	-1	0	278.233	3.360	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc([O-])c(F)c(F)c3F)ccc12	ZINC001245637386	803874068	/nfs/dbraw/zinc/87/40/68/803874068.db2.gz	YOSLFEPNKGCCGN-UHFFFAOYSA-N	-1	0	289.216	3.224	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1cc(Cl)c([O-])cc1F	ZINC001245668539	803896505	/nfs/dbraw/zinc/89/65/05/803896505.db2.gz	ULTKRBLHULDLHH-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2cc(F)cc(F)c2)cc1=O	ZINC001245921366	804049252	/nfs/dbraw/zinc/04/92/52/804049252.db2.gz	PICNNSWEPCPRIX-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1	ZINC001245924353	804053332	/nfs/dbraw/zinc/05/33/32/804053332.db2.gz	DGDXXVHJNUIVRW-UHFFFAOYSA-N	-1	0	275.311	3.040	20	30		CGEDRM
N#CCCn1[n-]c(-c2cccc(OC(F)(F)F)c2)cc1=O	ZINC001245929691	804058357	/nfs/dbraw/zinc/05/83/57/804058357.db2.gz	NWFOZJFEBBLKQY-UHFFFAOYSA-N	-1	0	297.236	3.068	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccc(Cl)cn3)[n-]2)cc1	ZINC001245933300	804062132	/nfs/dbraw/zinc/06/21/32/804062132.db2.gz	PDPNSEWAJRIJBC-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccc(F)c(F)c3)[n-]2)cc1	ZINC001245933844	804065982	/nfs/dbraw/zinc/06/59/82/804065982.db2.gz	UCBPFLJQUODVCI-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(CCc3ccccc3)[n-]2)c1	ZINC001245937261	804066458	/nfs/dbraw/zinc/06/64/58/804066458.db2.gz	KIFJNHSOLCFRKS-UHFFFAOYSA-N	-1	0	289.338	3.370	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3ccc(F)cc3F)[n-]2)cc1	ZINC001245937794	804069837	/nfs/dbraw/zinc/06/98/37/804069837.db2.gz	VQEJGAHVJSVJSH-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
N#CC1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC001140829414	804529686	/nfs/dbraw/zinc/52/96/86/804529686.db2.gz	IVTLNDCYHRNCLX-UHFFFAOYSA-N	-1	0	285.174	3.435	20	30		CGEDRM
C[C@@H](C#N)N(C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC001141360927	804633953	/nfs/dbraw/zinc/63/39/53/804633953.db2.gz	RSZACDQTYMVPGG-ZDUSSCGKSA-N	-1	0	294.354	3.396	20	30		CGEDRM
CN(Cc1ccc(C#N)cc1)Cc1cc(F)c(O)cc1F	ZINC001144666443	805027787	/nfs/dbraw/zinc/02/77/87/805027787.db2.gz	IOYFWVXMELFNLJ-UHFFFAOYSA-N	-1	0	288.297	3.174	20	30		CGEDRM
Cc1ccc(C#N)c([N-]c2noc(C(C)(C)C)n2)c1	ZINC001249895660	805287351	/nfs/dbraw/zinc/28/73/51/805287351.db2.gz	LRXIYSFKKBIIDM-UHFFFAOYSA-N	-1	0	256.309	3.291	20	30		CGEDRM
N#Cc1ccccc1Cc1c(F)cc(C(=O)[O-])cc1F	ZINC001250047356	805386448	/nfs/dbraw/zinc/38/64/48/805386448.db2.gz	IWUGBPBPCRNEKC-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
CC(C)Oc1c(F)cc(F)c([N-]c2oncc2C#N)c1F	ZINC001212642565	815093074	/nfs/dbraw/zinc/09/30/74/815093074.db2.gz	DBZCGUSJPPBNMQ-UHFFFAOYSA-N	-1	0	297.236	3.494	20	30		CGEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1csc(Cl)c1	ZINC001258202171	807361158	/nfs/dbraw/zinc/36/11/58/807361158.db2.gz	XYPMKOIQOVUHLJ-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
Cc1ccccc1Cc1nnc(-c2ccc([O-])c(C#N)c2)o1	ZINC001258464389	807465741	/nfs/dbraw/zinc/46/57/41/807465741.db2.gz	XKRLWUIMFUWADX-UHFFFAOYSA-N	-1	0	291.310	3.213	20	30		CGEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)c(OC)c1	ZINC001213117161	815240368	/nfs/dbraw/zinc/24/03/68/815240368.db2.gz	MJMRWDMTYXWCNB-UHFFFAOYSA-N	-1	0	290.344	3.476	20	30		CGEDRM
N#Cc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1[O-])C2	ZINC001277424577	809074900	/nfs/dbraw/zinc/07/49/00/809074900.db2.gz	GRQTWIGZRJZZHU-UHFFFAOYSA-N	-1	0	298.729	3.073	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cc(F)cc(C#N)c1	ZINC001174677576	809127022	/nfs/dbraw/zinc/12/70/22/809127022.db2.gz	OLZYFQUJOHTPLT-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174809174	809168534	/nfs/dbraw/zinc/16/85/34/809168534.db2.gz	CKAMXNVRDLLZQS-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1ccc(F)cc1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953582	809213125	/nfs/dbraw/zinc/21/31/25/809213125.db2.gz	GTKWGPZAOKNNKM-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
COc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1C	ZINC001175018589	809241019	/nfs/dbraw/zinc/24/10/19/809241019.db2.gz	WPUHEOBZQXISOP-UHFFFAOYSA-N	-1	0	272.279	3.464	20	30		CGEDRM
Cc1ccc(N(CCC#N)C(=O)c2cccc(F)c2[O-])cc1	ZINC001292455724	809432917	/nfs/dbraw/zinc/43/29/17/809432917.db2.gz	CFCKJFQILQZOMJ-UHFFFAOYSA-N	-1	0	298.317	3.400	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])c(F)c1	ZINC001295827946	809494655	/nfs/dbraw/zinc/49/46/55/809494655.db2.gz	LEYKIKCHNTVVIE-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
N#CC[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1	ZINC001296234055	809501093	/nfs/dbraw/zinc/50/10/93/809501093.db2.gz	PZLZLDSFSVKISI-INIZCTEOSA-N	-1	0	298.317	3.071	20	30		CGEDRM
N#Cc1ccc(Nc2cncc(C(=O)[O-])c2)c(F)c1Cl	ZINC001175842358	809553928	/nfs/dbraw/zinc/55/39/28/809553928.db2.gz	CKOWQWBTYYHACT-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1ccc(Cl)cc1Nc1cncc(C(=O)[O-])c1	ZINC001175842624	809554294	/nfs/dbraw/zinc/55/42/94/809554294.db2.gz	AYXKLIRLPMRMAR-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
N#Cc1c(Cl)cccc1Nc1cncc(C(=O)[O-])c1	ZINC001175843766	809554879	/nfs/dbraw/zinc/55/48/79/809554879.db2.gz	UWDFXWCDCAASEP-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
COc1cc(Nc2ccc(C)cc2C#N)cc(C(=O)[O-])c1	ZINC001213591096	815307456	/nfs/dbraw/zinc/30/74/56/815307456.db2.gz	PLQKIRUCRHILDK-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(Nc2ccc(C#N)c(F)c2)cc(C(=O)[O-])c1	ZINC001213592868	815308136	/nfs/dbraw/zinc/30/81/36/815308136.db2.gz	QERFHWSTEPPLJP-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#CCc1ccc(Nc2csc(C(=O)[O-])c2)cc1	ZINC001176435257	809696038	/nfs/dbraw/zinc/69/60/38/809696038.db2.gz	AMXYLZZOQBDDLN-UHFFFAOYSA-N	-1	0	258.302	3.256	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176592519	809726484	/nfs/dbraw/zinc/72/64/84/809726484.db2.gz	GTRRSCWZQXOMMA-RMKNXTFCSA-N	-1	0	289.294	3.271	20	30		CGEDRM
N#Cc1cc(N)ccc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176670558	809740403	/nfs/dbraw/zinc/74/04/03/809740403.db2.gz	GNWMYCWSIWSHSA-UHFFFAOYSA-N	-1	0	279.221	3.007	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(O)c1	ZINC001213633982	815315107	/nfs/dbraw/zinc/31/51/07/815315107.db2.gz	GNSQNTDIYPOJNE-UHFFFAOYSA-N	-1	0	282.299	3.025	20	30		CGEDRM
N#Cc1cc(Nc2cnccc2C2CC2)c([O-])cc1F	ZINC001213878492	815343324	/nfs/dbraw/zinc/34/33/24/815343324.db2.gz	HNFASSSPARAIPW-UHFFFAOYSA-N	-1	0	269.279	3.419	20	30		CGEDRM
CC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001181831144	810075516	/nfs/dbraw/zinc/07/55/16/810075516.db2.gz	JTZXFDGKRHAOGY-JTQLQIEISA-N	-1	0	278.327	3.414	20	30		CGEDRM
Cc1cccc(C)c1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001189056057	810538351	/nfs/dbraw/zinc/53/83/51/810538351.db2.gz	BWKVARIBEBYEGJ-UHFFFAOYSA-N	-1	0	284.290	3.272	20	30		CGEDRM
CCCCCCCNC(=O)Nc1ccc(O)c(C#N)c1	ZINC001191106878	810676460	/nfs/dbraw/zinc/67/64/60/810676460.db2.gz	VBNMCKKQEJZAAC-UHFFFAOYSA-N	-1	0	275.352	3.356	20	30		CGEDRM
CC(C)c1ccc([N-]S(=O)(=O)CC2CCC2)c(C#N)c1	ZINC001193514736	810900752	/nfs/dbraw/zinc/90/07/52/810900752.db2.gz	UFGATMUDJZKEKW-UHFFFAOYSA-N	-1	0	292.404	3.223	20	30		CGEDRM
C=CCN(C(=O)c1cccc(C#N)c1[O-])C1CCCCC1	ZINC001193646103	810928044	/nfs/dbraw/zinc/92/80/44/810928044.db2.gz	BXOWJSDDYXSRIB-UHFFFAOYSA-N	-1	0	284.359	3.225	20	30		CGEDRM
C[C@H](C#N)c1ccc(NC(=O)c2cccc(C#N)c2[O-])cc1	ZINC001193652851	810929348	/nfs/dbraw/zinc/92/93/48/810929348.db2.gz	QBKZHMOGSCGCKN-LLVKDONJSA-N	-1	0	291.310	3.143	20	30		CGEDRM
CC(C)(NC(=O)c1cccc(C#N)c1[O-])c1cccc(F)c1	ZINC001193657927	810930845	/nfs/dbraw/zinc/93/08/45/810930845.db2.gz	LUOVGSYKPNUCEK-UHFFFAOYSA-N	-1	0	298.317	3.068	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccc3ccncc3c2)c([O-])c1	ZINC001195751043	811286263	/nfs/dbraw/zinc/28/62/63/811286263.db2.gz	PUAHQIRFIKMSNL-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
CN(C(=O)c1ccc(C#N)cc1[O-])[C@H]1CCc2ccccc21	ZINC001195751135	811286734	/nfs/dbraw/zinc/28/67/34/811286734.db2.gz	QODLGVGFRJRIQB-INIZCTEOSA-N	-1	0	292.338	3.023	20	30		CGEDRM
CC(=O)c1cc(Nc2scc([O-])c2C#N)cs1	ZINC001214776638	815450322	/nfs/dbraw/zinc/45/03/22/815450322.db2.gz	OTVCTDRJULEWSC-UHFFFAOYSA-N	-1	0	264.331	3.333	20	30		CGEDRM
CCOc1ncc(Nc2scc([O-])c2C#N)cc1C	ZINC001214930440	815462535	/nfs/dbraw/zinc/46/25/35/815462535.db2.gz	CUPJBBHUNIQGRS-UHFFFAOYSA-N	-1	0	275.333	3.171	20	30		CGEDRM
Cc1ccc(C)c(Nc2cc(C(=O)[O-])cnc2F)c1C#N	ZINC001215135756	815487643	/nfs/dbraw/zinc/48/76/43/815487643.db2.gz	OFURXJTZALLKMO-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1ncccn1	ZINC001201830945	811968462	/nfs/dbraw/zinc/96/84/62/811968462.db2.gz	ODGVXAGOUWLTDS-UHFFFAOYSA-N	-1	0	299.440	3.359	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)s1	ZINC001215272017	815501713	/nfs/dbraw/zinc/50/17/13/815501713.db2.gz	RHEDGDNVPKLGIJ-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1sccc1Nc1ccsc1C(=O)[O-]	ZINC001215387031	815513987	/nfs/dbraw/zinc/51/39/87/815513987.db2.gz	OELQUWIULCGZCO-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccsc1C(=O)[O-]	ZINC001215392200	815515217	/nfs/dbraw/zinc/51/52/17/815515217.db2.gz	XVEHSFMEIWAUTI-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1cc(Nc2ccsc2C(=O)[O-])ccc1C#N	ZINC001215396118	815516336	/nfs/dbraw/zinc/51/63/36/815516336.db2.gz	XLDJOBDBUUJQHT-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])cc2F)cc(F)c1F	ZINC001203293379	812297599	/nfs/dbraw/zinc/29/75/99/812297599.db2.gz	JQKQWQCMMYIAKI-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)ccc1F	ZINC001204643328	812699204	/nfs/dbraw/zinc/69/92/04/812699204.db2.gz	LMDZFEKEQHPMTH-UHFFFAOYSA-N	-1	0	297.309	3.386	20	30		CGEDRM
O=C(CCc1nc(-c2ccccc2F)no1)C1=CC=C[CH]1	ZINC001204644951	812700700	/nfs/dbraw/zinc/70/07/00/812700700.db2.gz	WEFNUJZFEFZZRI-UHFFFAOYSA-N	-1	0	283.282	3.078	20	30		CGEDRM
N#Cc1ncccc1Nc1ccc(Cl)c(C(=O)[O-])c1F	ZINC001215694357	815559715	/nfs/dbraw/zinc/55/97/15/815559715.db2.gz	BEUUAEPDAIOZOX-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cnc(-c2ccsc2C(=O)[O-])cc1C(F)(F)F	ZINC001205542402	812997862	/nfs/dbraw/zinc/99/78/62/812997862.db2.gz	CQGSGFHECRNTOH-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#CCc1ccc(-c2ccsc2C(=O)[O-])c(F)c1	ZINC001205572095	813007108	/nfs/dbraw/zinc/00/71/08/813007108.db2.gz	CJJPITHOSOKLBA-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccsc2C(=O)[O-])cn1	ZINC001205585742	813013760	/nfs/dbraw/zinc/01/37/60/813013760.db2.gz	IEXPVNLRIPEOJB-UHFFFAOYSA-N	-1	0	272.329	3.309	20	30		CGEDRM
N#CCc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)ccc1C#N	ZINC001206038809	813177124	/nfs/dbraw/zinc/17/71/24/813177124.db2.gz	SJIKGSOZKHSXGS-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1csc(C(=O)[O-])c1	ZINC001206291596	813274122	/nfs/dbraw/zinc/27/41/22/813274122.db2.gz	UAHYYJYIGKOQIN-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(F)c1	ZINC001209888374	814188382	/nfs/dbraw/zinc/18/83/82/814188382.db2.gz	CIGGPHWKNGCYKJ-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccsc1Nc1cccc(C(=O)[O-])c1F	ZINC001210239720	814359537	/nfs/dbraw/zinc/35/95/37/814359537.db2.gz	VHLGLHSPNCXQDF-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccccc1CC#N	ZINC001210258040	814369259	/nfs/dbraw/zinc/36/92/59/814369259.db2.gz	AXKWATNDGINAHN-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1csc(C#N)c1	ZINC001210255689	814369673	/nfs/dbraw/zinc/36/96/73/814369673.db2.gz	XTNOVVBHIFTPHF-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cc(C(=O)[O-])ccc1OC	ZINC001210259200	814371272	/nfs/dbraw/zinc/37/12/72/814371272.db2.gz	DQTAHJAPYQTGRW-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccccc1C(=O)[O-]	ZINC001210969451	814696489	/nfs/dbraw/zinc/69/64/89/814696489.db2.gz	RLARMPQXDAFWTR-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cc(F)c([O-])cc3F)c12	ZINC001211350603	814883935	/nfs/dbraw/zinc/88/39/35/814883935.db2.gz	UVTKJLRYXLHCBM-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)nc1C	ZINC001211618568	814918743	/nfs/dbraw/zinc/91/87/43/814918743.db2.gz	GOHAPDGCDXRVFM-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1cc(Nc2ccc(N)cc2C#N)cc(C)c1C(=O)[O-]	ZINC001216312638	815775992	/nfs/dbraw/zinc/77/59/92/815775992.db2.gz	OERCMROWGKJQTL-UHFFFAOYSA-N	-1	0	281.315	3.199	20	30		CGEDRM
N#Cc1cc(-c2cccc([S-])c2)nc(C2CC2)n1	ZINC001242864396	823157347	/nfs/dbraw/zinc/15/73/47/823157347.db2.gz	PCPDZHSEBJCWMH-UHFFFAOYSA-N	-1	0	253.330	3.181	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-n1cc(C#N)c2ccc(N)cc21	ZINC001216661703	815888945	/nfs/dbraw/zinc/88/89/45/815888945.db2.gz	OIHJOQLVMNNWTK-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
N#Cc1cccc(Nc2cc(CC(=O)[O-])ccc2F)c1	ZINC001216683393	815893258	/nfs/dbraw/zinc/89/32/58/815893258.db2.gz	OGDYLYAPXIBAQW-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
Cc1cc(-c2c(C)cc(C#N)cc2C)cnc1C(=O)[O-]	ZINC001222666554	816494850	/nfs/dbraw/zinc/49/48/50/816494850.db2.gz	HVUPBDLPNQKBCR-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
N#C[C@H]1CC[C@@H](O/C(=N\[O-])c2ccc(Cl)cc2)C1	ZINC001223597346	816655885	/nfs/dbraw/zinc/65/58/85/816655885.db2.gz	SOZCPVQQBRBJGE-FKMQKICOSA-N	-1	0	264.712	3.185	20	30		CGEDRM
C#C[C@@H](CCCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223743484	816673025	/nfs/dbraw/zinc/67/30/25/816673025.db2.gz	FOGGNQWSMQVAKL-AWEZNQCLSA-N	-1	0	296.388	3.032	20	30		CGEDRM
C=CC[C@H](CCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223744670	816674313	/nfs/dbraw/zinc/67/43/13/816674313.db2.gz	OYIJJYXYTDUNHN-CYBMUJFWSA-N	-1	0	284.377	3.195	20	30		CGEDRM
C=C(C)C[C@H](OCc1ccc(S(=O)(=O)[O-])cc1)C(=C)C	ZINC001223746271	816674365	/nfs/dbraw/zinc/67/43/65/816674365.db2.gz	OEFJGGXXIBOGEN-HNNXBMFYSA-N	-1	0	296.388	3.361	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ccncc1F	ZINC001223889340	816696998	/nfs/dbraw/zinc/69/69/98/816696998.db2.gz	CFNJUEJYEIPMRX-OGWOSMHVSA-N	-1	0	296.248	3.413	20	30		CGEDRM
C=CC[C@@H](OCC[P@](=O)([O-])O)c1ccc(Cl)cc1	ZINC001224602093	816831249	/nfs/dbraw/zinc/83/12/49/816831249.db2.gz	NYXVWYGAXLQOLW-GFCCVEGCSA-N	-1	0	290.683	3.152	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225493218	817073070	/nfs/dbraw/zinc/07/30/70/817073070.db2.gz	CDIRJSMKBNXEOY-LLVKDONJSA-N	-1	0	251.282	3.424	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1F	ZINC001225886207	817206623	/nfs/dbraw/zinc/20/66/23/817206623.db2.gz	UQZRWANUHDNBKQ-NHCYSSNCSA-N	-1	0	266.316	3.081	20	30		CGEDRM
C=CCC[C@H](CC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225976684	817236719	/nfs/dbraw/zinc/23/67/19/817236719.db2.gz	BJRIIWMGURGASA-QMMMGPOBSA-N	-1	0	276.258	3.325	20	30		CGEDRM
CCC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)[C@@H](C)CC	ZINC001226008517	817247400	/nfs/dbraw/zinc/24/74/00/817247400.db2.gz	HWGDGAKEOZPJFG-CABZTGNLSA-N	-1	0	266.316	3.392	20	30		CGEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226067019	817263552	/nfs/dbraw/zinc/26/35/52/817263552.db2.gz	DKBPEQYUUSXBNJ-MRVPVSSYSA-N	-1	0	286.253	3.411	20	30		CGEDRM
Cc1cccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c1	ZINC001226223083	817302006	/nfs/dbraw/zinc/30/20/06/817302006.db2.gz	KQRTVIVBMCFIAP-LBPRGKRZSA-N	-1	0	268.316	3.416	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)CCc2ccccc2)c1C#N	ZINC001226222014	817302276	/nfs/dbraw/zinc/30/22/76/817302276.db2.gz	SDZMPAHEVSENAI-CYBMUJFWSA-N	-1	0	282.343	3.367	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCC=CCCC2)c1C#N	ZINC001226221751	817302529	/nfs/dbraw/zinc/30/25/29/817302529.db2.gz	QNGPORSVPZLFKT-GFCCVEGCSA-N	-1	0	258.321	3.235	20	30		CGEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C(=C)C	ZINC001226222421	817302772	/nfs/dbraw/zinc/30/27/72/817302772.db2.gz	AUGRPOQRQGMWMW-CYBMUJFWSA-N	-1	0	258.321	3.257	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226420509	817350628	/nfs/dbraw/zinc/35/06/28/817350628.db2.gz	KDZVQBPPWMOKCX-JTQLQIEISA-N	-1	0	254.305	3.143	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=S)nnc2C)C1	ZINC001227597365	817678058	/nfs/dbraw/zinc/67/80/58/817678058.db2.gz	BIAASCDZWYWPME-NWDGAFQWSA-N	-1	0	277.393	3.149	20	30		CGEDRM
Cc1ccc(-c2cc(C)c(C#N)c(C)n2)cc1C(=O)[O-]	ZINC001243195040	823284818	/nfs/dbraw/zinc/28/48/18/823284818.db2.gz	PSUSQJRFFNOEGA-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(/C=N/O)ccc1F	ZINC001243205837	823290282	/nfs/dbraw/zinc/29/02/82/823290282.db2.gz	OEJSGWQJQUSNTC-CAOOACKPSA-N	-1	0	273.263	3.307	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243217971	823297657	/nfs/dbraw/zinc/29/76/57/823297657.db2.gz	QCCSSBDAYQIFGD-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
C#C[C@@H](C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231210594	818058233	/nfs/dbraw/zinc/05/82/33/818058233.db2.gz	TZRSLKGBXIPHLN-GFCCVEGCSA-N	-1	0	266.296	3.024	20	30		CGEDRM
COc1cc(/C=N/O)ccc1O[C@H](C(C)C)C(F)(F)F	ZINC001233801420	818707533	/nfs/dbraw/zinc/70/75/33/818707533.db2.gz	ZOBBZNKFOBFUBY-KOSUEXCASA-N	-1	0	291.269	3.469	20	30		CGEDRM
C[C@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511593	818869864	/nfs/dbraw/zinc/86/98/64/818869864.db2.gz	RPBCYDPVZGSRMF-GXFFZTMASA-N	-1	0	283.331	3.165	20	30		CGEDRM
C=C[C@@H](CCCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234519073	818871948	/nfs/dbraw/zinc/87/19/48/818871948.db2.gz	DCTJBKDMMGTBGD-LBPRGKRZSA-N	-1	0	283.331	3.331	20	30		CGEDRM
Cc1cnc(F)c([C@H](C)Oc2ccccc2C=N[O-])c1	ZINC001234819035	818925449	/nfs/dbraw/zinc/92/54/49/818925449.db2.gz	GLWYXOMEMOTMIQ-NSHDSACASA-N	-1	0	274.295	3.477	20	30		CGEDRM
Cc1cnc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1C#N	ZINC001235267472	819057466	/nfs/dbraw/zinc/05/74/66/819057466.db2.gz	AIPHJTYYGMHPGB-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
CC#Cc1cncc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001236002913	819268921	/nfs/dbraw/zinc/26/89/21/819268921.db2.gz	UVYSPGRCVNRTFJ-UHFFFAOYSA-N	-1	0	263.218	3.243	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccc(C(=O)[O-])cc1	ZINC001236056047	819290984	/nfs/dbraw/zinc/29/09/84/819290984.db2.gz	XMQBKCYCKHCOKQ-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1ccc(C(=O)[O-])cc1	ZINC001236064321	819297431	/nfs/dbraw/zinc/29/74/31/819297431.db2.gz	CQLSWCOVNKAGFF-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236145213	819345578	/nfs/dbraw/zinc/34/55/78/819345578.db2.gz	WQVMNPYVXKWMMY-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
N#CCc1cc(-c2ccc(Cl)c(C(=O)[O-])c2F)ccn1	ZINC001236165479	819350706	/nfs/dbraw/zinc/35/07/06/819350706.db2.gz	ZWEZKYDKEWARAE-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(F)c2F)ccc1CC#N	ZINC001243511376	823426396	/nfs/dbraw/zinc/42/63/96/823426396.db2.gz	DFYHVZFIKUSQPA-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
N#CCc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239346189	820284732	/nfs/dbraw/zinc/28/47/32/820284732.db2.gz	ODUKLYXGWMQQRR-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(F)cc(C)c1C#N	ZINC001240734938	821288194	/nfs/dbraw/zinc/28/81/94/821288194.db2.gz	NCYUUZHSISYWOX-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc(CC(=O)[O-])cc2)cc1F	ZINC001240974312	821458325	/nfs/dbraw/zinc/45/83/25/821458325.db2.gz	YGJRPFLIBUHZGR-UHFFFAOYSA-N	-1	0	273.238	3.131	20	30		CGEDRM
Cc1cc(CC#N)ccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240976220	821460346	/nfs/dbraw/zinc/46/03/46/821460346.db2.gz	UBKGJOFKIIHYEW-UHFFFAOYSA-N	-1	0	265.312	3.355	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2cc(C(=O)[O-])ccc2C)c1	ZINC001241002247	821481065	/nfs/dbraw/zinc/48/10/65/821481065.db2.gz	UROZUWLFACIPOX-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1ccc(-c2nc3c(cc2C#N)CCC3)c([O-])c1	ZINC001241036463	821512064	/nfs/dbraw/zinc/51/20/64/821512064.db2.gz	WRELCMBUJDHWPU-UHFFFAOYSA-N	-1	0	250.301	3.123	20	30		CGEDRM
CCc1nnc(-c2c(F)cc([O-])cc2F)c(C#N)c1CC	ZINC001241120240	821575387	/nfs/dbraw/zinc/57/53/87/821575387.db2.gz	XAYVHRZCKCRCFF-UHFFFAOYSA-N	-1	0	289.285	3.124	20	30		CGEDRM
N#Cc1cc2c(nc1-c1c(F)cc([O-])cc1F)CCC2	ZINC001241120527	821576071	/nfs/dbraw/zinc/57/60/71/821576071.db2.gz	YTQVHCLASXXKAZ-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
N#Cc1c2c(cnc1-c1c(F)cc([O-])cc1F)CCC2	ZINC001241119781	821576243	/nfs/dbraw/zinc/57/62/43/821576243.db2.gz	PLLAWYSMEJLIGB-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc(C(=O)[O-])c(F)c1	ZINC001241182785	821620815	/nfs/dbraw/zinc/62/08/15/821620815.db2.gz	AUXCBOIVLMWZNE-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(F)c(C(=O)[O-])c1	ZINC001241244386	821665486	/nfs/dbraw/zinc/66/54/86/821665486.db2.gz	GQNSERSFYBFCCQ-UHFFFAOYSA-N	-1	0	297.289	3.122	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(F)c(C(=O)[O-])c1)CCCC2	ZINC001241244934	821665695	/nfs/dbraw/zinc/66/56/95/821665695.db2.gz	JAEORJREWWTVAM-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241246560	821667784	/nfs/dbraw/zinc/66/77/84/821667784.db2.gz	VXZYFDNBEKYLQE-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1	ZINC001241350646	821752865	/nfs/dbraw/zinc/75/28/65/821752865.db2.gz	XDESWCJOQIMMLR-UHFFFAOYSA-N	-1	0	282.686	3.449	20	30		CGEDRM
N#Cc1cc2ccccc2nc1-c1cccc(C(=O)[O-])c1	ZINC001241357047	821758198	/nfs/dbraw/zinc/75/81/98/821758198.db2.gz	OSNKFAZXXKHIGB-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1c(C#N)c(F)ccc1-c1cccc(C(=O)[O-])c1	ZINC001241361163	821762492	/nfs/dbraw/zinc/76/24/92/821762492.db2.gz	SNOVFEVHTXOZGX-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(-c2cncc(C(=O)[O-])c2)n1	ZINC001241801136	822150508	/nfs/dbraw/zinc/15/05/08/822150508.db2.gz	YFOIUGABTHNPRH-UHFFFAOYSA-N	-1	0	281.315	3.011	20	30		CGEDRM
C=CCOc1ccc(-c2cc(F)cc(C(=O)[O-])c2)nc1C#N	ZINC001241821175	822161871	/nfs/dbraw/zinc/16/18/71/822161871.db2.gz	ODJFQLSETIICOV-UHFFFAOYSA-N	-1	0	298.273	3.022	20	30		CGEDRM
N#CCOc1ccccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241828963	822167393	/nfs/dbraw/zinc/16/73/93/822167393.db2.gz	PJXGCJCAIVDPPD-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
COc1ccc(-c2cc(F)cc(C(=O)[O-])c2)c(CC#N)c1	ZINC001241834728	822170745	/nfs/dbraw/zinc/17/07/45/822170745.db2.gz	WUDCQEJRHHCPDJ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc(-c2ccc(F)cc2[O-])nc(C(F)(F)F)c1	ZINC001242215561	822913686	/nfs/dbraw/zinc/91/36/86/822913686.db2.gz	DAYPKOHUAWCFMF-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ncccc1-c1ccc2oc(=S)[n-]c2c1	ZINC001242310445	822947156	/nfs/dbraw/zinc/94/71/56/822947156.db2.gz	LVUCNBGLMHUPOQ-UHFFFAOYSA-N	-1	0	253.286	3.050	20	30		CGEDRM
N#Cc1cc(-c2nc3c(cc2C#N)CCCC3)ccc1[O-]	ZINC001242563837	823034328	/nfs/dbraw/zinc/03/43/28/823034328.db2.gz	MJKFZQAYGVJUJJ-UHFFFAOYSA-N	-1	0	275.311	3.076	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1	ZINC001346348947	936845737	/nfs/dbraw/zinc/84/57/37/936845737.db2.gz	CYKWMTKDRUPKKT-SNVBAGLBSA-N	-1	0	279.361	3.017	20	30		CGEDRM
CO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC001349818028	936964078	/nfs/dbraw/zinc/96/40/78/936964078.db2.gz	NKICSUNQSJQJNI-LBPRGKRZSA-N	-1	0	294.326	3.271	20	30		CGEDRM
N#Cc1sccc1C(=O)Nc1cc(Cl)ccc1[O-]	ZINC001546000169	937371052	/nfs/dbraw/zinc/37/10/52/937371052.db2.gz	DYIYPMVOCDLJKM-UHFFFAOYSA-N	-1	0	278.720	3.231	20	30		CGEDRM
Cc1cc(C#N)ccc1C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC001450991957	937388486	/nfs/dbraw/zinc/38/84/86/937388486.db2.gz	QWSTWIAKTQVKIA-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
Cc1ccc2c(c1)nc(=O)[n-]c2OC1CCC(C#N)CC1	ZINC001230888086	932635754	/nfs/dbraw/zinc/63/57/54/932635754.db2.gz	JTMFQZJXLMHYSO-UHFFFAOYSA-N	-1	0	283.331	3.105	20	30		CGEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230885582	932636285	/nfs/dbraw/zinc/63/62/85/932636285.db2.gz	XUGGFSLCUDVXRM-NSHDSACASA-N	-1	0	274.295	3.045	20	30		CGEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074952	932673047	/nfs/dbraw/zinc/67/30/47/932673047.db2.gz	UBWLSXJIIUBVTM-SNVBAGLBSA-N	-1	0	274.295	3.045	20	30		CGEDRM
CCCCN(CCCC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001464179570	937687506	/nfs/dbraw/zinc/68/75/06/937687506.db2.gz	BRGORRYOOSHICK-UHFFFAOYSA-N	-1	0	289.379	3.010	20	30		CGEDRM
CCc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001466537051	937709929	/nfs/dbraw/zinc/70/99/29/937709929.db2.gz	QKJFLJIMVZZLOU-UHFFFAOYSA-N	-1	0	284.290	3.218	20	30		CGEDRM
Nc1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC001327707390	935079045	/nfs/dbraw/zinc/07/90/45/935079045.db2.gz	WWTLIPBHEBDBGL-UHFFFAOYSA-N	-1	0	289.722	3.066	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1	ZINC001546332295	938000324	/nfs/dbraw/zinc/00/03/24/938000324.db2.gz	DADLLPZOVADMJX-STQMWFEESA-N	-1	0	284.359	3.419	20	30		CGEDRM
CCCCCC[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001540574729	938132139	/nfs/dbraw/zinc/13/21/39/938132139.db2.gz	UHSWGRYMOORZFH-GFCCVEGCSA-N	-1	0	289.379	3.056	20	30		CGEDRM
C=CCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001556532076	938204320	/nfs/dbraw/zinc/20/43/20/938204320.db2.gz	JURIZHYVATYNLG-UHFFFAOYSA-N	-1	0	292.335	3.167	20	30		CGEDRM
CC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1C	ZINC001557236380	938208676	/nfs/dbraw/zinc/20/86/76/938208676.db2.gz	NUYRZJQBTXHWIN-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
Cc1cc(F)c(C#N)c(N2CCC(CCC(=O)[O-])CC2)c1	ZINC001600224455	970778541	/nfs/dbraw/zinc/77/85/41/970778541.db2.gz	XPQZCAYQCKYEJF-UHFFFAOYSA-N	-1	0	290.338	3.087	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1ccccc1C(=O)[O-]	ZINC000312482556	950761727	/nfs/dbraw/zinc/76/17/27/950761727.db2.gz	NRCXZEDHOGFJDU-UHFFFAOYSA-N	-1	0	276.336	3.109	20	30		CGEDRM
CCc1cc(C#N)ccc1OC(=O)c1cccc(C(=O)[O-])c1	ZINC001593628453	953572493	/nfs/dbraw/zinc/57/24/93/953572493.db2.gz	IYLXFNGYSXXYFI-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
N#Cc1cccc(SCCOc2ccccc2C(=O)[O-])c1	ZINC001594628817	956337962	/nfs/dbraw/zinc/33/79/62/956337962.db2.gz	QOUVGMOUQMRKFR-UHFFFAOYSA-N	-1	0	299.351	3.428	20	30		CGEDRM
C=CCCC(=O)Nc1cc(Br)ccc1C(=O)[O-]	ZINC000054399914	957530576	/nfs/dbraw/zinc/53/05/76/957530576.db2.gz	JGOOMPIXJRUEJF-UHFFFAOYSA-N	-1	0	298.136	3.052	20	30		CGEDRM
Cc1cccc(C(=O)[O-])c1NC(=O)CC#Cc1ccccc1	ZINC001594388277	958695067	/nfs/dbraw/zinc/69/50/67/958695067.db2.gz	UJOGEVCFJZGNBF-UHFFFAOYSA-N	-1	0	293.322	3.074	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000232925963	960305503	/nfs/dbraw/zinc/30/55/03/960305503.db2.gz	UYARUIGDNHIYTM-CHWSQXEVSA-N	-1	0	269.385	3.059	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001589645403	960505815	/nfs/dbraw/zinc/50/58/15/960505815.db2.gz	ZSIOFKWROSMJTO-ZENOOKHLSA-N	-1	0	283.412	3.210	20	30		CGEDRM
N#Cc1ncccc1S[C@H](C(=O)[O-])c1ccccc1F	ZINC001601135394	960544693	/nfs/dbraw/zinc/54/46/93/960544693.db2.gz	UAPGAGURMROKOJ-ZDUSSCGKSA-N	-1	0	288.303	3.010	20	30		CGEDRM
C=CC[C@H](C(=O)[O-])N1CCC(C)(C)c2ccccc21	ZINC001602835096	960552350	/nfs/dbraw/zinc/55/23/50/960552350.db2.gz	JOLORRLSRKXTTJ-CQSZACIVSA-N	-1	0	259.349	3.204	20	30		CGEDRM
C=CCCc1ccccc1NC(=O)C1(CC(=O)[O-])CCC1	ZINC001573328855	962248908	/nfs/dbraw/zinc/24/89/08/962248908.db2.gz	PTBIBFMSPJRLLP-UHFFFAOYSA-N	-1	0	287.359	3.389	20	30		CGEDRM
C=C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1	ZINC001573329319	962249441	/nfs/dbraw/zinc/24/94/41/962249441.db2.gz	CWICSJVFHODRMG-INIZCTEOSA-N	-1	0	296.322	3.398	20	30		CGEDRM
Cc1nc(Nc2cccc(CCC(=O)[O-])c2)ccc1C#N	ZINC001574423897	962305024	/nfs/dbraw/zinc/30/50/24/962305024.db2.gz	IEXNQMFHQOCOFM-UHFFFAOYSA-N	-1	0	281.315	3.023	20	30		CGEDRM
N#Cc1cccc(SCCC2(C(=O)[O-])CCC2)c1	ZINC001574489770	962308407	/nfs/dbraw/zinc/30/84/07/962308407.db2.gz	OZWHNUSVKBZLIJ-UHFFFAOYSA-N	-1	0	261.346	3.295	20	30		CGEDRM
C#Cc1ccc(NCc2cc(C(=O)[O-])co2)c(Cl)c1	ZINC001573313115	962726309	/nfs/dbraw/zinc/72/63/09/962726309.db2.gz	BOWDLOVPLHPQKK-UHFFFAOYSA-N	-1	0	275.691	3.225	20	30		CGEDRM
C=C(C)CCC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21	ZINC001573324366	962783352	/nfs/dbraw/zinc/78/33/52/962783352.db2.gz	QRDOYMRSECERHT-UHFFFAOYSA-N	-1	0	287.359	3.329	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001573346573	962940999	/nfs/dbraw/zinc/94/09/99/962940999.db2.gz	CQVLAXUJVXQKKE-UHFFFAOYSA-N	-1	0	284.315	3.084	20	30		CGEDRM
C=CC1(CC(=O)Nc2ccc(C(=O)[O-])cn2)CCCCC1	ZINC001573350045	962962704	/nfs/dbraw/zinc/96/27/04/962962704.db2.gz	AFOHPZACCQPBSF-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C=CCCCNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001573365743	963055404	/nfs/dbraw/zinc/05/54/04/963055404.db2.gz	HUCFTCAGUKSVRF-UHFFFAOYSA-N	-1	0	294.376	3.194	20	30		CGEDRM
C=CCC(C)(C)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588736846	963159090	/nfs/dbraw/zinc/15/90/90/963159090.db2.gz	WRSWFSUTTBKTHN-VXGBXAGGSA-N	-1	0	268.353	3.023	20	30		CGEDRM
C#C[C@H](N[C@H](CCCC)C(=O)[O-])c1ccc(Cl)cc1	ZINC001588376103	963270347	/nfs/dbraw/zinc/27/03/47/963270347.db2.gz	BHKVFBFXKFRYCP-UONOGXRCSA-N	-1	0	279.767	3.247	20	30		CGEDRM
C#CCCCS[C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC001588345749	963270743	/nfs/dbraw/zinc/27/07/43/963270743.db2.gz	QAZHOODRXIMYLY-LLVKDONJSA-N	-1	0	272.377	3.074	20	30		CGEDRM
C=CCCCCCN(C)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC001588458239	963273715	/nfs/dbraw/zinc/27/37/15/963273715.db2.gz	MURNUHKLOCRKMS-UHFFFAOYSA-N	-1	0	295.423	3.328	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588529872	963276964	/nfs/dbraw/zinc/27/69/64/963276964.db2.gz	JZRHSRWIRDBEQY-UHFFFAOYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CC1CCC(C)(C)CC1)C(=O)[O-]	ZINC001588540931	963285115	/nfs/dbraw/zinc/28/51/15/963285115.db2.gz	PEANZGMLDQIUCA-ZDUSSCGKSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N([C@@H](C)c1ccccc1)C1CC1	ZINC001588611964	963294036	/nfs/dbraw/zinc/29/40/36/963294036.db2.gz	DBDXOOGLPXKWCM-ZDUSSCGKSA-N	-1	0	287.359	3.160	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(C(C)(F)F)c1	ZINC001588633768	963295460	/nfs/dbraw/zinc/29/54/60/963295460.db2.gz	NSRKEDDGFRMPDC-UHFFFAOYSA-N	-1	0	283.274	3.158	20	30		CGEDRM
C=C1CCC(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)CC1	ZINC001588649784	963296913	/nfs/dbraw/zinc/29/69/13/963296913.db2.gz	CVIWRIJYOWHDCA-UHFFFAOYSA-N	-1	0	294.376	3.089	20	30		CGEDRM
C=C[C@H](N[C@@H](C)c1oc2ccc(OC)cc2c1C)C(=O)[O-]	ZINC001588693273	963302522	/nfs/dbraw/zinc/30/25/22/963302522.db2.gz	VNHUXMNACAERKA-GWCFXTLKSA-N	-1	0	289.331	3.040	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC001588691336	963304690	/nfs/dbraw/zinc/30/46/90/963304690.db2.gz	YIUCIGYTZFUDEJ-LBPRGKRZSA-N	-1	0	275.348	3.340	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588719473	963306691	/nfs/dbraw/zinc/30/66/91/963306691.db2.gz	UIZKAQBEOZLJNS-ZDUSSCGKSA-N	-1	0	288.347	3.266	20	30		CGEDRM
C=CC[C@H](Sc1ccc2ccccc2n1)C(=O)[O-]	ZINC001588757549	963310168	/nfs/dbraw/zinc/31/01/68/963310168.db2.gz	AWZLUJHRXQUVGV-LBPRGKRZSA-N	-1	0	259.330	3.356	20	30		CGEDRM
C=CC[C@@H](Sc1ccc2ccccc2n1)C(=O)[O-]	ZINC001588757547	963312737	/nfs/dbraw/zinc/31/27/37/963312737.db2.gz	AWZLUJHRXQUVGV-GFCCVEGCSA-N	-1	0	259.330	3.356	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1OC(=O)c1cncc(C(=O)[O-])c1	ZINC001588771085	963314991	/nfs/dbraw/zinc/31/49/91/963314991.db2.gz	NQAVICLVZASTSR-FZMZJTMJSA-N	-1	0	289.331	3.072	20	30		CGEDRM
C=CCCc1ccccc1N[C@H](C)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588817552	963320172	/nfs/dbraw/zinc/32/01/72/963320172.db2.gz	LQURDDPOHWNMPD-XBFCOCLRSA-N	-1	0	259.349	3.326	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1c(C)coc1CC(=O)[O-]	ZINC001588799806	963322202	/nfs/dbraw/zinc/32/22/02/963322202.db2.gz	JEGFZKOJDKBOEX-UHFFFAOYSA-N	-1	0	293.363	3.034	20	30		CGEDRM
CC#CCCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC001588926882	963331169	/nfs/dbraw/zinc/33/11/69/963331169.db2.gz	BHWBJFUGDJKTJT-AWEZNQCLSA-N	-1	0	294.734	3.203	20	30		CGEDRM
CC(=NNc1cc(F)cc(F)c1)c1cc(C(=O)[O-])co1	ZINC001589016614	963343440	/nfs/dbraw/zinc/34/34/40/963343440.db2.gz	CXHMKIPQMDSUCP-UHFFFAOYSA-N	-1	0	280.230	3.092	20	30		CGEDRM
N#Cc1cc(Cl)cc(OCc2ccc(C(=O)[O-])cc2)c1	ZINC000312424519	963561819	/nfs/dbraw/zinc/56/18/19/963561819.db2.gz	UPXFWMVOHRVYOY-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
C=CCCCCNC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000314169556	963720601	/nfs/dbraw/zinc/72/06/01/963720601.db2.gz	JLAPRQYQBCWYBV-UHFFFAOYSA-N	-1	0	290.363	3.182	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000314425385	963752384	/nfs/dbraw/zinc/75/23/84/963752384.db2.gz	ZMFHQIUKZDKUNH-UHFFFAOYSA-N	-1	0	290.363	3.089	20	30		CGEDRM
CC[C@@H](C)c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC001589463923	963991934	/nfs/dbraw/zinc/99/19/34/963991934.db2.gz	KODPEDJXFKQWBA-BDJLRTHQSA-N	-1	0	288.347	3.143	20	30		CGEDRM
C[C@H](C(=O)[O-])c1cccc(NCc2ccc(C#N)s2)c1	ZINC001589531999	963993680	/nfs/dbraw/zinc/99/36/80/963993680.db2.gz	MXRJWZRUXHMVCN-JTQLQIEISA-N	-1	0	286.356	3.420	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC001589641253	964011641	/nfs/dbraw/zinc/01/16/41/964011641.db2.gz	OGYBVNNJXITWCH-SMDDNHRTSA-N	-1	0	272.348	3.153	20	30		CGEDRM
C#CCN(CC(=O)[O-])[C@H](C)c1ccc(Cl)c(Cl)c1	ZINC000092492097	967598883	/nfs/dbraw/zinc/59/88/83/967598883.db2.gz	KUIOHZHOYRRPKL-SECBINFHSA-N	-1	0	286.158	3.074	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000393748498	972635507	/nfs/dbraw/zinc/63/55/07/972635507.db2.gz	RUORHBFRCOGTHI-JTQLQIEISA-N	-1	0	280.299	3.000	20	30		CGEDRM
N#Cc1ccc(NC[C@H](CC2CC2)C(=O)[O-])cc1Cl	ZINC000405340541	973835604	/nfs/dbraw/zinc/83/56/04/973835604.db2.gz	HYAXFTFUCOQCGH-NSHDSACASA-N	-1	0	278.739	3.124	20	30		CGEDRM
C[C@H](CC(=O)[O-])SCC#Cc1ccccc1Cl	ZINC001592421323	978032410	/nfs/dbraw/zinc/03/24/10/978032410.db2.gz	SCAMTGMRWDZURU-SNVBAGLBSA-N	-1	0	268.765	3.288	20	30		CGEDRM
CCCC[C@H](SCC#Cc1ccccc1)C(=O)[O-]	ZINC001595655001	982042536	/nfs/dbraw/zinc/04/25/36/982042536.db2.gz	GZCRJHAXLWBAIR-AWEZNQCLSA-N	-1	0	262.374	3.415	20	30		CGEDRM
CCCCCCCCCC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001595704640	982277685	/nfs/dbraw/zinc/27/76/85/982277685.db2.gz	FNBKWMWZCQLZAQ-UHFFFAOYSA-N	-1	0	295.383	3.198	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)c1cc(C(=O)[O-])on1	ZINC001595705264	982283591	/nfs/dbraw/zinc/28/35/91/982283591.db2.gz	TUZUHXVCBJEXMV-NSHDSACASA-N	-1	0	296.367	3.099	20	30		CGEDRM
CCCCCCCC[C@H](C)C(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001595705360	982284303	/nfs/dbraw/zinc/28/43/03/982284303.db2.gz	XXBUINXKMOVAFL-NSHDSACASA-N	-1	0	295.383	3.433	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001595705358	982284366	/nfs/dbraw/zinc/28/43/66/982284366.db2.gz	XWTAFKALKLKGBV-YOEHRIQHSA-N	-1	0	295.423	3.450	20	30		CGEDRM
CCCCCCCCC(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC001595705432	982285526	/nfs/dbraw/zinc/28/55/26/982285526.db2.gz	ZRDUMTJLDOOXOD-HNNXBMFYSA-N	-1	0	292.379	3.074	20	30		CGEDRM
CCOc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001597149381	986918492	/nfs/dbraw/zinc/91/84/92/986918492.db2.gz	GEFACDJNKPBLDJ-VOTSOKGWSA-N	-1	0	286.283	3.273	20	30		CGEDRM
COc1ccc(N=NC2CC(CC(=O)[O-])C2)cc1Cl	ZINC001599597011	993761756	/nfs/dbraw/zinc/76/17/56/993761756.db2.gz	GALZWLJJPJIWSQ-UHFFFAOYSA-N	-1	0	282.727	3.001	20	30		CGEDRM
COc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1C#N	ZINC001599597752	993771053	/nfs/dbraw/zinc/77/10/53/993771053.db2.gz	WKCVAFHUUKBJML-UHFFFAOYSA-N	-1	0	288.347	3.012	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1F	ZINC001599477846	998561899	/nfs/dbraw/zinc/56/18/99/998561899.db2.gz	FMHPWRUGZXXJKQ-RQOWECAXSA-N	-1	0	290.246	3.022	20	30		CGEDRM
C[C@@H]1CCCCN1N=Cc1ccc(C(=O)[O-])c(Cl)c1	ZINC001594376333	999419138	/nfs/dbraw/zinc/41/91/38/999419138.db2.gz	LOAMIYBMSHOZGU-SNVBAGLBSA-N	-1	0	280.755	3.247	20	30		CGEDRM
N#Cc1c(Cl)cccc1NC1CCC(C(=O)[O-])CC1	ZINC000052903183	345110407	/nfs/dbraw/zinc/11/04/07/345110407.db2.gz	XRGJZLDLOGRXQO-UHFFFAOYSA-N	-1	0	278.739	3.267	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1c([O-])cc(F)cc1F	ZINC000064070830	345256588	/nfs/dbraw/zinc/25/65/88/345256588.db2.gz	TVYAYVUFMMXKJF-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1Cl	ZINC000133115243	346075404	/nfs/dbraw/zinc/07/54/04/346075404.db2.gz	YRKAIZCURDXADN-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000172378886	346220358	/nfs/dbraw/zinc/22/03/58/346220358.db2.gz	OOEDFGKEXMFRGN-SECBINFHSA-N	-1	0	283.312	3.083	20	30		CGEDRM
N#Cc1nc(NCC2CCC(F)(F)CC2)sc1Cl	ZINC000596228000	347401030	/nfs/dbraw/zinc/40/10/30/347401030.db2.gz	UVRKIWGJSQBKOO-UHFFFAOYSA-N	-1	0	291.754	3.327	20	30		CGEDRM
CC(=Cc1csc(C)c1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000601044062	347855354	/nfs/dbraw/zinc/85/53/54/347855354.db2.gz	MHDCXEUEUXXBAE-YVMONPNESA-N	-1	0	285.372	3.189	20	30		CGEDRM
CCc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C	ZINC000601940092	347927076	/nfs/dbraw/zinc/92/70/76/347927076.db2.gz	OHDYVCUXAHLWML-MRVPVSSYSA-N	-1	0	295.264	3.326	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000607008869	348214422	/nfs/dbraw/zinc/21/44/22/348214422.db2.gz	AXQMCWBYDWAPES-LBPRGKRZSA-N	-1	0	291.310	3.275	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc2ccccc2c1O	ZINC000620301680	349352939	/nfs/dbraw/zinc/35/29/39/349352939.db2.gz	JAVNYGFDBLTHOM-OKILXGFUSA-N	-1	0	294.354	3.264	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000620305393	349354232	/nfs/dbraw/zinc/35/42/32/349354232.db2.gz	DYZOSDSERCZHDX-DTORHVGOSA-N	-1	0	297.276	3.133	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cccc(C(=O)[O-])c1	ZINC000630314758	350823401	/nfs/dbraw/zinc/82/34/01/350823401.db2.gz	USUJUVRYLBLGJE-UHFFFAOYSA-N	-1	0	275.348	3.107	20	30		CGEDRM
C=CCCC(C)(C)NC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000634933114	351606015	/nfs/dbraw/zinc/60/60/15/351606015.db2.gz	PYFUYGIKHHSPDA-UHFFFAOYSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CC[C@@H]1CCN(C(=O)CC2(CC(=O)[O-])CCCCC2)C1	ZINC000634938148	351606443	/nfs/dbraw/zinc/60/64/43/351606443.db2.gz	BRGNLVWZGORVEM-CQSZACIVSA-N	-1	0	293.407	3.226	20	30		CGEDRM
COc1cc(/C=C/C(=O)c2ccccc2[O-])cc(OC)c1	ZINC000027550856	368873143	/nfs/dbraw/zinc/87/31/43/368873143.db2.gz	ITYKWBGUHDCECN-BQYQJAHWSA-N	-1	0	284.311	3.306	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)c1	ZINC000046929371	369300289	/nfs/dbraw/zinc/30/02/89/369300289.db2.gz	KPAPDWZCAJEOEY-ZDUSSCGKSA-N	-1	0	293.388	3.305	20	30		CGEDRM
N#Cc1ccc(SCc2nc(=O)c3sccc3[n-]2)cc1	ZINC000048512152	369357183	/nfs/dbraw/zinc/35/71/83/369357183.db2.gz	JTDHUNHRIXHZKQ-UHFFFAOYSA-N	-1	0	299.380	3.149	20	30		CGEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514081	369405610	/nfs/dbraw/zinc/40/56/10/369405610.db2.gz	XOMOBOVPHUVKNT-GFCCVEGCSA-N	-1	0	285.409	3.209	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)oc1C	ZINC000128575198	370964047	/nfs/dbraw/zinc/96/40/47/370964047.db2.gz	NFKYCZIGHHMUOZ-LLVKDONJSA-N	-1	0	279.299	3.263	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000112483424	370428669	/nfs/dbraw/zinc/42/86/69/370428669.db2.gz	XXXXZWRLRGNJRT-VIFPVBQESA-N	-1	0	297.339	3.368	20	30		CGEDRM
C=C(CNC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000436733309	372840480	/nfs/dbraw/zinc/84/04/80/372840480.db2.gz	GNVYZSLXWMVICF-UHFFFAOYSA-N	-1	0	287.746	3.489	20	30		CGEDRM
CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)C1	ZINC000442958284	373133836	/nfs/dbraw/zinc/13/38/36/373133836.db2.gz	QTNFSZKAVATGHC-IUODEOHRSA-N	-1	0	286.375	3.208	20	30		CGEDRM
Cc1cc(C(=O)[C@H](C#N)c2nc3c(cccc3C)[nH]2)co1	ZINC000444453595	373189790	/nfs/dbraw/zinc/18/97/90/373189790.db2.gz	JNOBHYKOPKWRDI-LBPRGKRZSA-N	-1	0	279.299	3.263	20	30		CGEDRM
CCC(CC)(CNc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000316447756	374334503	/nfs/dbraw/zinc/33/45/03/374334503.db2.gz	FVJLOMJEBJNXRS-UHFFFAOYSA-N	-1	0	297.358	3.409	20	30		CGEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000330270059	374452693	/nfs/dbraw/zinc/45/26/93/374452693.db2.gz	SUKAOGUWTFFERQ-HBNTYKKESA-N	-1	0	280.397	3.223	20	30		CGEDRM
C[C@@H](C(=O)Nc1ccc(F)cc1O)c1cccc(C#N)c1	ZINC000334399706	374716755	/nfs/dbraw/zinc/71/67/55/374716755.db2.gz	XXWFYHAVBLOUOC-SNVBAGLBSA-N	-1	0	284.290	3.145	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccccc2Cl)cc1[O-]	ZINC000188208549	375177475	/nfs/dbraw/zinc/17/74/75/375177475.db2.gz	ZGMKIGYAMJJGDT-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)s1	ZINC000335836758	375469807	/nfs/dbraw/zinc/46/98/07/375469807.db2.gz	DVHOPZNGFYPSOE-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000192883841	375798367	/nfs/dbraw/zinc/79/83/67/375798367.db2.gz	DZGZADHUZOTKQJ-NSHDSACASA-N	-1	0	261.321	3.234	20	30		CGEDRM
CC(=Cc1ccc(C)c(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193608440	375897782	/nfs/dbraw/zinc/89/77/82/375897782.db2.gz	MLKLCHDWRQGPNH-POHAHGRESA-N	-1	0	299.761	3.472	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1onc(C)c1C	ZINC000194796627	376043788	/nfs/dbraw/zinc/04/37/88/376043788.db2.gz	GUEBUKIYYRXSHE-UHFFFAOYSA-N	-1	0	274.386	3.004	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c[nH]1	ZINC000334360981	206423691	/nfs/dbraw/zinc/42/36/91/206423691.db2.gz	BGOQYCCDZAMMFS-UHFFFAOYSA-N	-1	0	296.113	3.151	20	30		CGEDRM
C=CCn1c(-c2ccoc2)n[n-]c1=Nc1ccccc1C	ZINC000563752675	377472356	/nfs/dbraw/zinc/47/23/56/377472356.db2.gz	CAUXWKXNUZJEGE-UHFFFAOYSA-N	-1	0	280.331	3.198	20	30		CGEDRM
CCCc1occc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000342633376	377700473	/nfs/dbraw/zinc/70/04/73/377700473.db2.gz	NJNWQKXYICHUQF-LLVKDONJSA-N	-1	0	274.345	3.487	20	30		CGEDRM
CC(C)(CCC#N)CNc1cccc(CC(=O)[O-])c1	ZINC000578738026	378096341	/nfs/dbraw/zinc/09/63/41/378096341.db2.gz	DGUBYQUIJWZGLS-UHFFFAOYSA-N	-1	0	260.337	3.056	20	30		CGEDRM
CC[C@H](C)Oc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1	ZINC000354459367	380448285	/nfs/dbraw/zinc/44/82/85/380448285.db2.gz	DQZXLVXSMFJCNO-SWLSCSKDSA-N	-1	0	295.342	3.144	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000238090873	542319825	/nfs/dbraw/zinc/31/98/25/542319825.db2.gz	PQXUYXDFKORLRK-GFCCVEGCSA-N	-1	0	293.388	3.149	20	30		CGEDRM
C[C@H](CC#N)N(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000093090795	392234894	/nfs/dbraw/zinc/23/48/94/392234894.db2.gz	QDNYRVTUPJQINQ-MRVPVSSYSA-N	-1	0	273.163	3.433	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)o1	ZINC000647374633	392710478	/nfs/dbraw/zinc/71/04/78/392710478.db2.gz	HZYSEMXDGVOEQE-SNVBAGLBSA-N	-1	0	272.329	3.412	20	30		CGEDRM
C=CC[C@H](Cc1ccccc1)N=c1[n-]nc(C(F)F)o1	ZINC000413584687	393027976	/nfs/dbraw/zinc/02/79/76/393027976.db2.gz	UAVHLYDOSJOGLK-LLVKDONJSA-N	-1	0	279.290	3.028	20	30		CGEDRM
N#Cc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1	ZINC000084920028	287081676	/nfs/dbraw/zinc/08/16/76/287081676.db2.gz	CDVWVEAZQPNABY-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
CC(C)C[C@H](CNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000094703539	165391415	/nfs/dbraw/zinc/39/14/15/165391415.db2.gz	NCEWBCDWMBAUJM-LLVKDONJSA-N	-1	0	280.755	3.370	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000679104486	543591393	/nfs/dbraw/zinc/59/13/93/543591393.db2.gz	CSRDSRAFKTWFNN-AWEZNQCLSA-N	-1	0	293.407	3.104	20	30		CGEDRM
C=CCCC1(CNC(=O)C[C@@H](C)CC(=O)[O-])CCCC1	ZINC000659166854	418963146	/nfs/dbraw/zinc/96/31/46/418963146.db2.gz	LEUCRHSRKQNCFU-CYBMUJFWSA-N	-1	0	281.396	3.130	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000653328667	419027233	/nfs/dbraw/zinc/02/72/33/419027233.db2.gz	LFJCRPVCVPAAQG-NILFDRSVSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000237268742	260675034	/nfs/dbraw/zinc/67/50/34/260675034.db2.gz	NSJSBSILVJTTHC-UHFFFAOYSA-N	-1	0	287.359	3.112	20	30		CGEDRM
C=C(C)Cn1c(C(C)C)n[n-]c1=Nc1cccc(OC)c1	ZINC000460554739	261622685	/nfs/dbraw/zinc/62/26/85/261622685.db2.gz	JYNRUVDHCZFJDD-UHFFFAOYSA-N	-1	0	286.379	3.152	20	30		CGEDRM
N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1ccccn1	ZINC000108624506	262056072	/nfs/dbraw/zinc/05/60/72/262056072.db2.gz	DIUHSUAZPZARJL-LLVKDONJSA-N	-1	0	295.323	3.288	20	30		CGEDRM
N#CC1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCC1	ZINC000274284155	263022726	/nfs/dbraw/zinc/02/27/26/263022726.db2.gz	KRKVFIYWBGTJJM-UHFFFAOYSA-N	-1	0	285.130	3.331	20	30		CGEDRM
CC(C)(C)c1[n-]n(CCC(C)(C)C#N)c(=O)c1CCC#N	ZINC000281823918	263072047	/nfs/dbraw/zinc/07/20/47/263072047.db2.gz	HVUJCGZMTXEGHY-UHFFFAOYSA-N	-1	0	288.395	3.282	20	30		CGEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000287118409	263100968	/nfs/dbraw/zinc/10/09/68/263100968.db2.gz	YPNVKEWJSKBGSK-GFCCVEGCSA-N	-1	0	270.691	3.063	20	30		CGEDRM
N#CCN(Cc1cc(Cl)c(F)cc1[O-])C1CCCC1	ZINC000295321513	263176144	/nfs/dbraw/zinc/17/61/44/263176144.db2.gz	LKNLLCJYAOCUJF-UHFFFAOYSA-N	-1	0	282.746	3.453	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(CC#N)c1	ZINC000341120453	263323089	/nfs/dbraw/zinc/32/30/89/263323089.db2.gz	LRADMHANIJMEEO-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C[C@@H]1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000331095202	264120637	/nfs/dbraw/zinc/12/06/37/264120637.db2.gz	ZYBLQQKLQSGKQN-NXEZZACHSA-N	-1	0	278.308	3.041	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000192846963	264606415	/nfs/dbraw/zinc/60/64/15/264606415.db2.gz	QULOGKWLAVYBCD-FZMZJTMJSA-N	-1	0	293.338	3.060	20	30		CGEDRM
C=CCC(F)(F)C(=O)NCc1cc(F)c(Cl)cc1F	ZINC000294145508	265000041	/nfs/dbraw/zinc/00/00/41/265000041.db2.gz	HRXLURKXIHYWPW-UHFFFAOYSA-N	-1	0	295.663	3.446	20	30		CGEDRM
CC[C@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000094079816	265215947	/nfs/dbraw/zinc/21/59/47/265215947.db2.gz	UOEHQVUTEPOTKF-SECBINFHSA-N	-1	0	288.734	3.231	20	30		CGEDRM
N#Cc1cccc(CCN=c2nc(C3CCCC3)[n-]s2)c1	ZINC000568983887	322230134	/nfs/dbraw/zinc/23/01/34/322230134.db2.gz	CKDIBQXBXCTFSW-UHFFFAOYSA-N	-1	0	298.415	3.144	20	30		CGEDRM
O=C(C=Cc1ccccc1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513485	328367535	/nfs/dbraw/zinc/36/75/35/328367535.db2.gz	BPHSUVKXDRANJE-VAWYXSNFSA-N	-1	0	293.388	3.319	20	30		CGEDRM
C=CCCCCCN(C)C(=O)N=c1[n-]nc(C2CC2)s1	ZINC000564403854	327198882	/nfs/dbraw/zinc/19/88/82/327198882.db2.gz	IVTKFHFSPZMIML-UHFFFAOYSA-N	-1	0	294.424	3.048	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n[nH]1	ZINC000177749114	329186358	/nfs/dbraw/zinc/18/63/58/329186358.db2.gz	MXMVRIJXAYQMHC-SNVBAGLBSA-N	-1	0	288.376	3.042	20	30		CGEDRM
CCc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n[nH]1	ZINC000177749129	329186488	/nfs/dbraw/zinc/18/64/88/329186488.db2.gz	MXMVRIJXAYQMHC-JTQLQIEISA-N	-1	0	288.376	3.042	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccnc2)n1	ZINC000177747032	329186636	/nfs/dbraw/zinc/18/66/36/329186636.db2.gz	BOMXBYFHBPLCDR-LLVKDONJSA-N	-1	0	271.345	3.152	20	30		CGEDRM
COc1csc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1	ZINC000177588575	329187792	/nfs/dbraw/zinc/18/77/92/329187792.db2.gz	YQZOIITZZHWRAL-JTQLQIEISA-N	-1	0	297.339	3.123	20	30		CGEDRM
C=C[C@@H](CC(=O)N(CC(=O)[O-])[C@H](C)CC)c1ccccc1	ZINC000262826162	330034486	/nfs/dbraw/zinc/03/44/86/330034486.db2.gz	WUCADCVOTHAUIL-KGLIPLIRSA-N	-1	0	289.375	3.058	20	30		CGEDRM
N#C[C@@H]1CCC[C@H](Nc2cccc(CCC(=O)[O-])c2)C1	ZINC000263490652	330057704	/nfs/dbraw/zinc/05/77/04/330057704.db2.gz	ILIQOCVIAGEORG-HIFRSBDPSA-N	-1	0	272.348	3.198	20	30		CGEDRM
CC(C)(C)c1[n-]n(CCC2CC2)c(=O)c1CCC#N	ZINC000438320508	330721598	/nfs/dbraw/zinc/72/15/98/330721598.db2.gz	JXOIPIXJPSHBRF-UHFFFAOYSA-N	-1	0	261.369	3.142	20	30		CGEDRM
C#C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1	ZINC000491639506	332259585	/nfs/dbraw/zinc/25/95/85/332259585.db2.gz	WRVVNYSOTJRKHX-BFERYNQYSA-N	-1	0	298.273	3.233	20	30		CGEDRM
C#CCN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC000191015136	333213447	/nfs/dbraw/zinc/21/34/47/333213447.db2.gz	SQAFVYLPNZPINJ-UHFFFAOYSA-N	-1	0	299.757	3.418	20	30		CGEDRM
O=C([O-])c1cccc(CNC(=O)[C@@H]2CC23CCCC3)c1	ZINC000329280061	534547719	/nfs/dbraw/zinc/54/77/19/534547719.db2.gz	MRIUTMOEMFGJCB-ZDUSSCGKSA-N	-1	0	273.332	3.422	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCC1	ZINC000263085360	534594455	/nfs/dbraw/zinc/59/44/55/534594455.db2.gz	HIGMMZFCOILQTI-UHFFFAOYSA-N	-1	0	273.332	3.378	20	30		CGEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC000191490855	527076668	/nfs/dbraw/zinc/07/66/68/527076668.db2.gz	SARPTCHPJZHTAX-INIZCTEOSA-N	-1	0	283.327	3.048	20	30		CGEDRM
CCOc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000357574112	528373782	/nfs/dbraw/zinc/37/37/82/528373782.db2.gz	ZSNCHCVGTSZKIN-UITAMQMPSA-N	-1	0	294.310	3.221	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000190617912	568585251	/nfs/dbraw/zinc/58/52/51/568585251.db2.gz	QVZQGHLRHXIPSF-UHFFFAOYSA-N	-1	0	289.375	3.092	20	30		CGEDRM
O=C([O-])c1ccc(NN=C2CCCOc3ccccc32)cc1	ZINC000728428825	571805017	/nfs/dbraw/zinc/80/50/17/571805017.db2.gz	BYAKGBRLJSHOHE-UHFFFAOYSA-N	-1	0	296.326	3.374	20	30		CGEDRM
N#Cc1ccc([C@H](OC(=O)C=C2CCCCC2)C(=O)[O-])cc1	ZINC000739110529	572402187	/nfs/dbraw/zinc/40/21/87/572402187.db2.gz	QWYPEHAUCGKNDP-INIZCTEOSA-N	-1	0	299.326	3.118	20	30		CGEDRM
N#Cc1ccccc1SCc1ccc(C(=O)[O-])o1	ZINC000739142439	572403052	/nfs/dbraw/zinc/40/30/52/572403052.db2.gz	LWATWLQQJOKJLA-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
CCCCCCCC(=O)N1CCC(CN(C)C(=O)[O-])CC1	ZINC000739333917	572410943	/nfs/dbraw/zinc/41/09/43/572410943.db2.gz	ZJWXUNLNSXJSSZ-UHFFFAOYSA-N	-1	0	298.427	3.195	20	30		CGEDRM
O=C([O-])C1CCC(N=Cc2cc3ccccc3[nH]c2=O)CC1	ZINC000739559860	572420107	/nfs/dbraw/zinc/42/01/07/572420107.db2.gz	HBIRYNHXILXUFF-ZDLGFXPLSA-N	-1	0	298.342	3.003	20	30		CGEDRM
CC(C)OC(=O)CC/N=C\c1c(O)ccc2ccccc21	ZINC000732769198	572482625	/nfs/dbraw/zinc/48/26/25/572482625.db2.gz	FLMCXAZKJMLZPS-WQRHYEAKSA-N	-1	0	285.343	3.306	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C/C=C\c2ccccc2)c1	ZINC000732925620	572492620	/nfs/dbraw/zinc/49/26/20/572492620.db2.gz	AWDNKQTUFPWFJG-LUJAEEAZSA-N	-1	0	282.299	3.433	20	30		CGEDRM
O=C([O-])c1ccccc1NN=C1CCc2cc(F)ccc21	ZINC000734296897	572641664	/nfs/dbraw/zinc/64/16/64/572641664.db2.gz	PMKDJUZUZBLLRX-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
C=CC[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000736096993	572767962	/nfs/dbraw/zinc/76/79/62/572767962.db2.gz	VCRCSHAEFQSYSX-PCGIRMHASA-N	-1	0	276.292	3.069	20	30		CGEDRM
CCCCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736985338	572833211	/nfs/dbraw/zinc/83/32/11/572833211.db2.gz	WAUWLMILVVGQOO-OAHLLOKOSA-N	-1	0	289.331	3.198	20	30		CGEDRM
Cc1nnc(N=NC2CCC[C@H](C(C)(C)C)CC2)[n-]c1=O	ZINC000746557213	572879369	/nfs/dbraw/zinc/87/93/69/572879369.db2.gz	VFTJSBCAUJFRLW-NSHDSACASA-N	-1	0	291.399	3.280	20	30		CGEDRM
N#Cc1cccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c1	ZINC000748442145	572977085	/nfs/dbraw/zinc/97/70/85/572977085.db2.gz	WVAWNJVKLQWWAJ-YDFGWWAZSA-N	-1	0	282.324	3.283	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000059104130	600016448	/nfs/dbraw/zinc/01/64/48/600016448.db2.gz	APEQBLDSEANLAB-CYBMUJFWSA-N	-1	0	269.385	3.060	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000048813902	600512780	/nfs/dbraw/zinc/51/27/80/600512780.db2.gz	URSVBDLXTZLPFJ-UHFFFAOYSA-N	-1	0	294.738	3.244	20	30		CGEDRM
CCc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737270371	600590524	/nfs/dbraw/zinc/59/05/24/600590524.db2.gz	QSJJXUYDYOGDEP-INIZCTEOSA-N	-1	0	280.327	3.358	20	30		CGEDRM
CCCC[C@@H](Sc1nc(C)cc(C)c1C#N)C(=O)[O-]	ZINC000736986099	600935990	/nfs/dbraw/zinc/93/59/90/600935990.db2.gz	SYCWIPDWXBAPAI-GFCCVEGCSA-N	-1	0	278.377	3.306	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825671196	600964843	/nfs/dbraw/zinc/96/48/43/600964843.db2.gz	FKRBEXYUWDFIRU-KBPBESRZSA-N	-1	0	281.396	3.082	20	30		CGEDRM
CC(C)(C#N)CCCN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000134208781	601114169	/nfs/dbraw/zinc/11/41/69/601114169.db2.gz	GYWYOPYUQWSFFO-CYBMUJFWSA-N	-1	0	286.375	3.395	20	30		CGEDRM
CCc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000830265965	601297710	/nfs/dbraw/zinc/29/77/10/601297710.db2.gz	WYQOALZORYIZMN-INIZCTEOSA-N	-1	0	280.327	3.358	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c(C)s1	ZINC000832859128	601330681	/nfs/dbraw/zinc/33/06/81/601330681.db2.gz	LRDTYYHNFABHKI-GQCTYLIASA-N	-1	0	275.329	3.287	20	30		CGEDRM
O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc([O-])c(F)c1	ZINC000899353314	620649763	/nfs/dbraw/zinc/64/97/63/620649763.db2.gz	NIBCKPHGGMMUQB-XQRVVYSFSA-N	-1	0	286.306	3.349	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cc3ccccc3o2)c[nH]1	ZINC000833297112	601791517	/nfs/dbraw/zinc/79/15/17/601791517.db2.gz	BGVJGQFXJPJMOX-AATRIKPKSA-N	-1	0	281.267	3.355	20	30		CGEDRM
N#Cc1nc(NCCCCCCCC(=O)[O-])ccc1Cl	ZINC000833078798	601864363	/nfs/dbraw/zinc/86/43/63/601864363.db2.gz	PTXYAFKDHZVFPW-UHFFFAOYSA-N	-1	0	295.770	3.444	20	30		CGEDRM
O=C(/C=C/c1cnn(C2CCC2)c1)c1cc(F)ccc1[O-]	ZINC000899362144	620670209	/nfs/dbraw/zinc/67/02/09/620670209.db2.gz	LPIIBZHQRJBLJM-GQCTYLIASA-N	-1	0	286.306	3.349	20	30		CGEDRM
N#CCCCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833062983	604263985	/nfs/dbraw/zinc/26/39/85/604263985.db2.gz	RMTFKIVAKQQDAP-UHFFFAOYSA-N	-1	0	297.698	3.052	20	30		CGEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1	ZINC000825676111	604379659	/nfs/dbraw/zinc/37/96/59/604379659.db2.gz	VFZCNOTXDUSRFY-UHFFFAOYSA-N	-1	0	299.301	3.357	20	30		CGEDRM
C/C=C(/C=C\C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)CC	ZINC000828543379	604618826	/nfs/dbraw/zinc/61/88/26/604618826.db2.gz	SUTWYNDHTIKNQN-JCVUYBMBSA-N	-1	0	299.326	3.140	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000220149656	604626075	/nfs/dbraw/zinc/62/60/75/604626075.db2.gz	HTYZDHKGCFRMHT-RUDMXATFSA-N	-1	0	297.266	3.189	20	30		CGEDRM
Cc1cc([C@H](C)Sc2cc(C#N)ccn2)oc1C(=O)[O-]	ZINC000832874122	604712471	/nfs/dbraw/zinc/71/24/71/604712471.db2.gz	MNXDTZPMIIBBPH-VIFPVBQESA-N	-1	0	288.328	3.406	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1ccc(C(=O)[O-])cc1F	ZINC000833429972	604758516	/nfs/dbraw/zinc/75/85/16/604758516.db2.gz	BVYZTIGJAMSBPY-UHFFFAOYSA-N	-1	0	292.354	3.286	20	30		CGEDRM
C=C(C)CNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833369182	605038843	/nfs/dbraw/zinc/03/88/43/605038843.db2.gz	IXNIHQQRJVHTPB-UHFFFAOYSA-N	-1	0	270.126	3.135	20	30		CGEDRM
C=C(CC)CSCCOc1ccccc1C(=O)[O-]	ZINC000833370385	605159032	/nfs/dbraw/zinc/15/90/32/605159032.db2.gz	NFQLNMWNLYPZCL-UHFFFAOYSA-N	-1	0	266.362	3.463	20	30		CGEDRM
C=C(C)COc1cccc(NC2CCN(C(=O)[O-])CC2)c1	ZINC000823480571	605252841	/nfs/dbraw/zinc/25/28/41/605252841.db2.gz	HDLCZTFZYYGDSF-UHFFFAOYSA-N	-1	0	290.363	3.196	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2c([O-])cccc2F)c(C2CC2)n1	ZINC000899390225	620684873	/nfs/dbraw/zinc/68/48/73/620684873.db2.gz	VPDSDABZGGQBRZ-FPLPWBNLSA-N	-1	0	286.306	3.038	20	30		CGEDRM
O=C([O-])NCCCN=Nc1ccc(Cl)cc1Cl	ZINC000832605181	605461687	/nfs/dbraw/zinc/46/16/87/605461687.db2.gz	KYIODFWMGQCEJC-UHFFFAOYSA-N	-1	0	276.123	3.049	20	30		CGEDRM
C#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1	ZINC000899855323	620731925	/nfs/dbraw/zinc/73/19/25/620731925.db2.gz	FWEVUKZLJYTBGP-UHFFFAOYSA-N	-1	0	285.343	3.032	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c(C)s1	ZINC000049501748	617611142	/nfs/dbraw/zinc/61/11/42/617611142.db2.gz	KNBRWWMLPVNVKN-UHFFFAOYSA-N	-1	0	289.422	3.446	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cc1O	ZINC000255123667	617947226	/nfs/dbraw/zinc/94/72/26/617947226.db2.gz	NURNTHQOPBIBTR-DAXSKMNVSA-N	-1	0	284.311	3.311	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)s1	ZINC000042316987	620767025	/nfs/dbraw/zinc/76/70/25/620767025.db2.gz	JZJJELFCYKTWHD-JTQLQIEISA-N	-1	0	285.390	3.058	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1cccc(Cl)c1	ZINC000846546727	618092931	/nfs/dbraw/zinc/09/29/31/618092931.db2.gz	YMHMOKCBGCRMAQ-SNVBAGLBSA-N	-1	0	267.756	3.240	20	30		CGEDRM
O=C(/C=C/c1cccc(O)c1)c1cc(F)ccc1[O-]	ZINC000156671888	618121701	/nfs/dbraw/zinc/12/17/01/618121701.db2.gz	LNZPDXDWTTZXHI-GQCTYLIASA-N	-1	0	258.248	3.133	20	30		CGEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000255302562	618182502	/nfs/dbraw/zinc/18/25/02/618182502.db2.gz	RMKJTJUKRHJSFE-WAYWQWQTSA-N	-1	0	261.252	3.032	20	30		CGEDRM
Cc1ccc(C)c(CC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176822497	618740819	/nfs/dbraw/zinc/74/08/19/618740819.db2.gz	AROXAASUMJVKCT-UHFFFAOYSA-N	-1	0	280.327	3.062	20	30		CGEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179729742	618800314	/nfs/dbraw/zinc/80/03/14/618800314.db2.gz	ZTCLDKLHJYRRBL-UHFFFAOYSA-N	-1	0	280.327	3.180	20	30		CGEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CC(C)(C)C	ZINC000046927947	619128733	/nfs/dbraw/zinc/12/87/33/619128733.db2.gz	MQIHBQUKYVPVEJ-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(C)s1	ZINC000047831364	619444992	/nfs/dbraw/zinc/44/49/92/619444992.db2.gz	JVOARHNGFOHRDG-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1cccs1	ZINC000048619121	619513268	/nfs/dbraw/zinc/51/32/68/619513268.db2.gz	JVHPFHJZYLXLOS-UHFFFAOYSA-N	-1	0	297.401	3.140	20	30		CGEDRM
C=C[C@@H]1OCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840709392	620103001	/nfs/dbraw/zinc/10/30/01/620103001.db2.gz	MPTVTKNKGJDRTK-XFQLZSBUSA-N	-1	0	286.158	3.461	20	30		CGEDRM
CCCSCC(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000901261882	620849305	/nfs/dbraw/zinc/84/93/05/620849305.db2.gz	QHGMIMMRUNONIJ-UHFFFAOYSA-N	-1	0	280.393	3.245	20	30		CGEDRM
Cc1ccc(C=NNC2CCC(F)(F)CC2)cc1C(=O)[O-]	ZINC000901343080	620858282	/nfs/dbraw/zinc/85/82/82/620858282.db2.gz	VQJBMEXCLZATEZ-UHFFFAOYSA-N	-1	0	296.317	3.195	20	30		CGEDRM
C[C@H]1C(N=Nc2cc(F)ccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000901321242	620860493	/nfs/dbraw/zinc/86/04/93/620860493.db2.gz	VXNGZOAPFJASCK-RKDXNWHRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
CCCCCCCCC(=O)OCc1n[n-]c(C)cc1=O	ZINC000802167985	621925658	/nfs/dbraw/zinc/92/56/58/621925658.db2.gz	FHHRQCGLKLZRHG-UHFFFAOYSA-N	-1	0	280.368	3.284	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000905123283	622040083	/nfs/dbraw/zinc/04/00/83/622040083.db2.gz	DZFOWHSEVADAGF-LJISPDSOSA-N	-1	0	293.407	3.129	20	30		CGEDRM
O=c1[n-]c(N=NC2C[C@@H]3CCC[C@H]3C2)nc2ccccc21	ZINC000905454800	622077256	/nfs/dbraw/zinc/07/72/56/622077256.db2.gz	QEAXZVQOCUPXRF-QWRGUYRKSA-N	-1	0	282.347	3.313	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(CCC(=O)[O-])Cc1ccccc1	ZINC000907541690	622300952	/nfs/dbraw/zinc/30/09/52/622300952.db2.gz	IGWFFTNDHGGUGJ-CQSZACIVSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1C	ZINC000907611237	622302222	/nfs/dbraw/zinc/30/22/22/622302222.db2.gz	UAXATUNLBHINBC-UKRRQHHQSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000907588507	622302994	/nfs/dbraw/zinc/30/29/94/622302994.db2.gz	LMWWUPRFAPZVPF-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000907586516	622303096	/nfs/dbraw/zinc/30/30/96/622303096.db2.gz	SQLMTTJMWAESDN-LLVKDONJSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000907818755	622313326	/nfs/dbraw/zinc/31/33/26/622313326.db2.gz	OGTRQGADRGVQQM-JTQLQIEISA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908056753	622325428	/nfs/dbraw/zinc/32/54/28/622325428.db2.gz	KPFKDZSIULXWEN-UHFFFAOYSA-N	-1	0	285.343	3.042	20	30		CGEDRM
C=C1CCC(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CC1	ZINC000908294019	622341641	/nfs/dbraw/zinc/34/16/41/622341641.db2.gz	WHKPCSYCMWAJLY-HNNXBMFYSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C1CCC(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)CC1	ZINC000908638282	622360940	/nfs/dbraw/zinc/36/09/40/622360940.db2.gz	NRUYEDFJAANQAT-LBPRGKRZSA-N	-1	0	293.388	3.127	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000909107483	622396734	/nfs/dbraw/zinc/39/67/34/622396734.db2.gz	BITXSEFARDSDFO-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000909319136	622416758	/nfs/dbraw/zinc/41/67/58/622416758.db2.gz	SMSBDVLNKLAQSC-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909830879	622426690	/nfs/dbraw/zinc/42/66/90/622426690.db2.gz	AKPQWJZGZMATRP-LLVKDONJSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909834115	622430106	/nfs/dbraw/zinc/43/01/06/622430106.db2.gz	KLWOVXYFZSGVIN-NSHDSACASA-N	-1	0	275.348	3.416	20	30		CGEDRM
Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000044011276	622492917	/nfs/dbraw/zinc/49/29/17/622492917.db2.gz	COGZQZSUKIHORY-VGOFMYFVSA-N	-1	0	276.317	3.289	20	30		CGEDRM
C=C[C@@H](CC(=O)N(CCC)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000911719651	622545014	/nfs/dbraw/zinc/54/50/14/622545014.db2.gz	UCZZVUUZOQEFSC-KGLIPLIRSA-N	-1	0	289.375	3.058	20	30		CGEDRM
COCc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000156599088	622827053	/nfs/dbraw/zinc/82/70/53/622827053.db2.gz	URXBQUUPAKGVDT-ZHACJKMWSA-N	-1	0	268.312	3.435	20	30		CGEDRM
C=CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000916240767	624125836	/nfs/dbraw/zinc/12/58/36/624125836.db2.gz	VQCDXLCPCUYGGL-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
CN(C)c1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000033530206	624345973	/nfs/dbraw/zinc/34/59/73/624345973.db2.gz	NEWRHJWDQQDMSN-YHYXMXQVSA-N	-1	0	283.327	3.060	20	30		CGEDRM
C[C@@H](NN=Cc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000920386242	624487643	/nfs/dbraw/zinc/48/76/43/624487643.db2.gz	VATCRYLEESUVTC-GFCCVEGCSA-N	-1	0	268.316	3.070	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2CCCCC2)c1	ZINC000920945740	624555755	/nfs/dbraw/zinc/55/57/55/624555755.db2.gz	CDAXUBBRTLLDQE-XNTDXEJSSA-N	-1	0	262.309	3.300	20	30		CGEDRM
O=C([O-])c1ccccc1NN=C1CCc2c1cccc2F	ZINC000921256559	624575570	/nfs/dbraw/zinc/57/55/70/624575570.db2.gz	VWRNOUTZRJSKBV-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
COc1c(C)cc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000180490584	624756512	/nfs/dbraw/zinc/75/65/12/624756512.db2.gz	KKPXRMZLOHBUSQ-UHFFFAOYSA-N	-1	0	296.326	3.142	20	30		CGEDRM
Cc1cc(F)ccc1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000750938663	626369918	/nfs/dbraw/zinc/36/99/18/626369918.db2.gz	LHGJZWGCWATVNP-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c(O)cccc2Cl)cc1	ZINC000755456337	626624345	/nfs/dbraw/zinc/62/43/45/626624345.db2.gz	VHQDVQBWBLTENP-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
Cc1ccnc(NN=Cc2c(O)cccc2Cl)c1	ZINC000755770652	626645430	/nfs/dbraw/zinc/64/54/30/626645430.db2.gz	NHUWAWYEANUSDO-UHFFFAOYSA-N	-1	0	261.712	3.195	20	30		CGEDRM
CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000756232109	626685351	/nfs/dbraw/zinc/68/53/51/626685351.db2.gz	QSFUOXQYXOOJMR-SWLSCSKDSA-N	-1	0	286.375	3.047	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cnc(C3CC3)s2)c1	ZINC000761792160	627061011	/nfs/dbraw/zinc/06/10/11/627061011.db2.gz	BPJFPUZPLYIYGQ-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
CCC(CC)[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000762077853	627086351	/nfs/dbraw/zinc/08/63/51/627086351.db2.gz	ZCNQDPAGWMKPEO-JTQLQIEISA-N	-1	0	260.337	3.275	20	30		CGEDRM
CCC[C@H](C)C(CC)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367558	627153717	/nfs/dbraw/zinc/15/37/17/627153717.db2.gz	BYQWAHBOPGIJPS-JTQLQIEISA-N	-1	0	263.341	3.394	20	30		CGEDRM
CCC(Cc1cccs1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371982	627154879	/nfs/dbraw/zinc/15/48/79/627154879.db2.gz	OJELXSURONDCOH-UHFFFAOYSA-N	-1	0	289.360	3.262	20	30		CGEDRM
C#CCN(CC)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000764512726	627210323	/nfs/dbraw/zinc/21/03/23/627210323.db2.gz	DXDURQBXYXJLDW-UHFFFAOYSA-N	-1	0	287.746	3.294	20	30		CGEDRM
CC(C)O[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C1(C)C	ZINC000764892251	627232330	/nfs/dbraw/zinc/23/23/30/627232330.db2.gz	UOUSFDBTZMERQF-AWEZNQCLSA-N	-1	0	290.363	3.376	20	30		CGEDRM
Cn1ccc(/C=C/C(=O)c2cc(Cl)c(Cl)cc2[O-])n1	ZINC000766034085	627289756	/nfs/dbraw/zinc/28/97/56/627289756.db2.gz	MPWALHCMTFRTIO-NSCUHMNNSA-N	-1	0	297.141	3.329	20	30		CGEDRM
CC(N=Nc1nncc2ccccc21)C1SC=CC1=O	ZINC000769762765	627576625	/nfs/dbraw/zinc/57/66/25/627576625.db2.gz	BKAGAJRLKWEURO-UHFFFAOYSA-N	-1	0	284.344	3.233	20	30		CGEDRM
COc1ccsc1C(C)=NNc1ccccc1C(=O)[O-]	ZINC000769776767	627577487	/nfs/dbraw/zinc/57/74/87/627577487.db2.gz	DEDCJXVLNQBHCX-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C#N)c(F)c1	ZINC000776757471	628229990	/nfs/dbraw/zinc/22/99/90/628229990.db2.gz	PZUBSGSKRDLVBQ-UHFFFAOYSA-N	-1	0	297.289	3.232	20	30		CGEDRM
CC(=NNc1ccc(C)cn1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776767619	628231218	/nfs/dbraw/zinc/23/12/18/628231218.db2.gz	FSJLVVINBIAQBX-UHFFFAOYSA-N	-1	0	287.294	3.063	20	30		CGEDRM
CC(=NOC1CCCC1)c1cc(C(=O)[O-])ccc1C	ZINC000788438689	629052618	/nfs/dbraw/zinc/05/26/18/629052618.db2.gz	MEYSCWIYNMKQPJ-UHFFFAOYSA-N	-1	0	261.321	3.376	20	30		CGEDRM
CC[C@H](NN=C(C)c1cc2ccccc2s1)C(=O)[O-]	ZINC000793058379	629406335	/nfs/dbraw/zinc/40/63/35/629406335.db2.gz	UFHPKYQPOIONQS-NSHDSACASA-N	-1	0	276.361	3.078	20	30		CGEDRM
CC[C@H](NN=C1CC(c2ccc(Cl)cc2)C1)C(=O)[O-]	ZINC000793080483	629408792	/nfs/dbraw/zinc/40/87/92/629408792.db2.gz	ZMEDAYQHQXWSTF-HQVZTVAUSA-N	-1	0	280.755	3.026	20	30		CGEDRM
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000119200178	629448940	/nfs/dbraw/zinc/44/89/40/629448940.db2.gz	VLRHXKQBJDEXSS-VXGBXAGGSA-N	-1	0	298.367	3.376	20	30		CGEDRM
CC1(C)CCC/C(=C/c2ccc(CC(=O)[O-])cc2)C1=O	ZINC000863186705	629490747	/nfs/dbraw/zinc/49/07/47/629490747.db2.gz	IPIKKABJZQMPJO-UVTDQMKNSA-N	-1	0	272.344	3.476	20	30		CGEDRM
Cc1nnc(N=NC[C@@H](CC(C)C)c2ccccc2)[n-]c1=O	ZINC000794474283	629545849	/nfs/dbraw/zinc/54/58/49/629545849.db2.gz	KAFKOVMGZCRVFF-CQSZACIVSA-N	-1	0	299.378	3.113	20	30		CGEDRM
Cc1cnn(C)c1/C=C\C(=O)c1ccc2ccccc2c1[O-]	ZINC000794699787	629568876	/nfs/dbraw/zinc/56/88/76/629568876.db2.gz	GMFQVBBSDOGILS-KTKRTIGZSA-N	-1	0	292.338	3.483	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc2n[nH]cc2c1	ZINC000794886526	629594455	/nfs/dbraw/zinc/59/44/55/629594455.db2.gz	AGCQGIQPGZOZHM-UHFFFAOYSA-N	-1	0	294.314	3.097	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC1CCC[C@@H]1CCF	ZINC000794887066	629594608	/nfs/dbraw/zinc/59/46/08/629594608.db2.gz	FINVYOOKCISUPA-SNVBAGLBSA-N	-1	0	264.300	3.312	20	30		CGEDRM
O=C(/C=C\c1c(F)ccc(O)c1F)c1ccccc1[O-]	ZINC000794941616	629602855	/nfs/dbraw/zinc/60/28/55/629602855.db2.gz	SKDMHFCGNOOSGE-ALCCZGGFSA-N	-1	0	276.238	3.272	20	30		CGEDRM
COCCN(C)N=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000794966820	629608812	/nfs/dbraw/zinc/60/88/12/629608812.db2.gz	XGAPRYFODDOECV-UHFFFAOYSA-N	-1	0	291.178	3.001	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@@H](C)CCCCC)C(=O)[O-]	ZINC000864182869	629792084	/nfs/dbraw/zinc/79/20/84/629792084.db2.gz	FBPHAMZCLLWTIB-CMPLNLGQSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000864179242	629792820	/nfs/dbraw/zinc/79/28/20/629792820.db2.gz	RWHNMCYGEZFVQS-NSHDSACASA-N	-1	0	293.750	3.219	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)CC1(C)CCCCC1)C(=O)[O-]	ZINC000864186501	629795068	/nfs/dbraw/zinc/79/50/68/629795068.db2.gz	QYQDCCYTDYJMIX-LLVKDONJSA-N	-1	0	287.787	3.059	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864188386	629795089	/nfs/dbraw/zinc/79/50/89/629795089.db2.gz	HRVVZHWNQSTARF-VOTSOKGWSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)CCCCCC(C)C)C(=O)[O-]	ZINC000864185198	629795612	/nfs/dbraw/zinc/79/56/12/629795612.db2.gz	WACBIHSEOVSHOY-LBPRGKRZSA-N	-1	0	289.803	3.305	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000864580807	629871775	/nfs/dbraw/zinc/87/17/75/629871775.db2.gz	DXHKVBRTNYEDOY-GFCCVEGCSA-N	-1	0	296.754	3.021	20	30		CGEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=COCCC2)s1	ZINC000797569225	629961249	/nfs/dbraw/zinc/96/12/49/629961249.db2.gz	OOIBZIWUETWWIY-NSHDSACASA-N	-1	0	290.388	3.311	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc(C(F)(F)F)[nH]2)cc1	ZINC000807938729	630607667	/nfs/dbraw/zinc/60/76/67/630607667.db2.gz	HIQDHVKKDHXPAZ-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NN[C@H]1CCSC1	ZINC000808000946	630614549	/nfs/dbraw/zinc/61/45/49/630614549.db2.gz	WVLHBEBKACQSLJ-VIFPVBQESA-N	-1	0	291.203	3.128	20	30		CGEDRM
O=C([O-])c1ccc(C=NNCC2CCCC2)c(Cl)c1	ZINC000808006945	630617056	/nfs/dbraw/zinc/61/70/56/630617056.db2.gz	INCVOGAZNXYOMZ-UHFFFAOYSA-N	-1	0	280.755	3.152	20	30		CGEDRM
CC(=NOC/C=C/Cl)c1cc(C(=O)[O-])ccc1C	ZINC000811669416	631107648	/nfs/dbraw/zinc/10/76/48/631107648.db2.gz	DRERNVBIYBIHIP-DNYIRCPOSA-N	-1	0	267.712	3.186	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2cc(Cl)ccc2[O-])n1	ZINC000811693760	631110420	/nfs/dbraw/zinc/11/04/20/631110420.db2.gz	PMTGWGHOJHGUQR-ONEGZZNKSA-N	-1	0	290.731	3.270	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000811694320	631111027	/nfs/dbraw/zinc/11/10/27/631111027.db2.gz	VCZUMRAUKBRCJO-XQRVVYSFSA-N	-1	0	285.249	3.438	20	30		CGEDRM
COc1ccc(F)cc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000812243483	631231456	/nfs/dbraw/zinc/23/14/56/631231456.db2.gz	NEQAEZGKYQANDT-KXFIGUGUSA-N	-1	0	288.274	3.142	20	30		CGEDRM
Cc1ccc(C)c(C=NNc2ccccc2C(=O)[O-])c1	ZINC000812441926	631261382	/nfs/dbraw/zinc/26/13/82/631261382.db2.gz	JGVSDKBXKIBEIF-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC000837044596	634847197	/nfs/dbraw/zinc/84/71/97/634847197.db2.gz	PKSWBAGPDWKHSP-ZDUSSCGKSA-N	-1	0	277.364	3.120	20	30		CGEDRM
CC(=NNc1ccccc1)c1csc(C(=O)[O-])c1	ZINC000814684550	631621861	/nfs/dbraw/zinc/62/18/61/631621861.db2.gz	YFQHTOXEDKAYJN-UHFFFAOYSA-N	-1	0	260.318	3.282	20	30		CGEDRM
CO[C@](C)(CN=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1	ZINC000814689250	631623808	/nfs/dbraw/zinc/62/38/08/631623808.db2.gz	XSUUVCKKKVBQMR-CQSZACIVSA-N	-1	0	296.754	3.251	20	30		CGEDRM
CC(C)OC1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000814688678	631624494	/nfs/dbraw/zinc/62/44/94/631624494.db2.gz	IHQBBUGQBZICAP-UHFFFAOYSA-N	-1	0	296.754	3.394	20	30		CGEDRM
CCC(N=Nc1ccccc1C(=O)[O-])c1ccco1	ZINC000814768943	631636732	/nfs/dbraw/zinc/63/67/32/631636732.db2.gz	PQWHRQMJPCSZMI-UHFFFAOYSA-N	-1	0	258.277	3.204	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@H]2C)nc1	ZINC000814831423	631651079	/nfs/dbraw/zinc/65/10/79/631651079.db2.gz	AYNMPOZZZNVCNA-NWDGAFQWSA-N	-1	0	289.379	3.315	20	30		CGEDRM
C[C@@H]1CC(=NNCCCc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814837975	631652589	/nfs/dbraw/zinc/65/25/89/631652589.db2.gz	TWNCPOSLYZLAKF-CZUORRHYSA-N	-1	0	288.391	3.086	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(F)cn2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814842459	631653726	/nfs/dbraw/zinc/65/37/26/631653726.db2.gz	ISLPZRRYFIYRMY-ONGXEEELSA-N	-1	0	293.342	3.146	20	30		CGEDRM
CCC(CC)NN=C(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814850963	631655082	/nfs/dbraw/zinc/65/50/82/631655082.db2.gz	BOJXITQNGLJLGL-NSHDSACASA-N	-1	0	256.390	3.422	20	30		CGEDRM
O=C([O-])c1cccc(C=NNCc2ccc(Cl)cc2)c1	ZINC000814873311	631660989	/nfs/dbraw/zinc/66/09/89/631660989.db2.gz	VZWUBSFRRPDHCT-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
CC(N=Nc1cc(Cl)ccn1)c1cc(C(=O)[O-])cs1	ZINC000814899505	631670409	/nfs/dbraw/zinc/67/04/09/631670409.db2.gz	ZSEQNJBGIRKQHJ-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
O=C([O-])c1cccc(C=NOCCC(F)(F)F)c1Cl	ZINC000814910135	631677837	/nfs/dbraw/zinc/67/78/37/631677837.db2.gz	QSZIHIDJYTZEQM-UHFFFAOYSA-N	-1	0	295.644	3.341	20	30		CGEDRM
C[C@@H]1C(=NN[C@@H]2CCCC2(C)C)CC[C@@H]1CC(=O)[O-]	ZINC000814917510	631681037	/nfs/dbraw/zinc/68/10/37/631681037.db2.gz	MNVXPPPMKHBXHZ-DMDPSCGWSA-N	-1	0	266.385	3.032	20	30		CGEDRM
CC[C@@H](NN=C1CCCC[C@@H]1C1=CCCCC1)C(=O)[O-]	ZINC000814936851	631690572	/nfs/dbraw/zinc/69/05/72/631690572.db2.gz	LYCXZWVZZCRRIG-ZIAGYGMSSA-N	-1	0	278.396	3.486	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(Cl)n2)CC[C@H]1CC(=O)[O-]	ZINC000814939480	631692794	/nfs/dbraw/zinc/69/27/94/631692794.db2.gz	RLNFRNGKIMXFMJ-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]Oc1ccccc1	ZINC000816684518	632042332	/nfs/dbraw/zinc/04/23/32/632042332.db2.gz	FBKVOGXIIVUMIB-CQSZACIVSA-N	-1	0	278.352	3.068	20	30		CGEDRM
C=CCC[C@@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000823365850	633093451	/nfs/dbraw/zinc/09/34/51/633093451.db2.gz	OWGQXCZHBPPEFD-CYBMUJFWSA-N	-1	0	279.380	3.049	20	30		CGEDRM
CC(=NOCC(F)F)c1ccc(O)c(Br)c1	ZINC000844594614	635939488	/nfs/dbraw/zinc/93/94/88/635939488.db2.gz	WQEFPBQWMPDUOJ-UHFFFAOYSA-N	-1	0	294.095	3.160	20	30		CGEDRM
CC(=O)c1cc(F)c([O-])c(NC(=O)CCCCCC#N)c1	ZINC000830329011	633850976	/nfs/dbraw/zinc/85/09/76/633850976.db2.gz	VQCSFVQSNQGGAO-UHFFFAOYSA-N	-1	0	292.310	3.146	20	30		CGEDRM
CCCCCCCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000831034141	633911982	/nfs/dbraw/zinc/91/19/82/633911982.db2.gz	YRQMZWARKMDEBS-ZIAGYGMSSA-N	-1	0	298.427	3.099	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000832718795	634085119	/nfs/dbraw/zinc/08/51/19/634085119.db2.gz	PXUHYRPYCHQYSZ-UHFFFAOYSA-N	-1	0	288.800	3.224	20	30		CGEDRM
C=CCC1(CN=Nc2cccc(C(=O)[O-])c2)CCOCC1	ZINC000872325340	634109499	/nfs/dbraw/zinc/10/94/99/634109499.db2.gz	NGRPKBOWKGSIIN-UHFFFAOYSA-N	-1	0	288.347	3.155	20	30		CGEDRM
COCC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009463	634314536	/nfs/dbraw/zinc/31/45/36/634314536.db2.gz	WOZVQDSTXWDZJQ-SNVBAGLBSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C1(C)C	ZINC000835012687	634317121	/nfs/dbraw/zinc/31/71/21/634317121.db2.gz	RXTFHLDHONKAIG-ZDUSSCGKSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cs1	ZINC000835057880	634340162	/nfs/dbraw/zinc/34/01/62/634340162.db2.gz	VEWZNAKPLXNLRS-GFCCVEGCSA-N	-1	0	292.404	3.076	20	30		CGEDRM
CC(CCCCC#N)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000841641765	635206476	/nfs/dbraw/zinc/20/64/76/635206476.db2.gz	VKCHDTRADIVTMS-UHFFFAOYSA-N	-1	0	277.299	3.396	20	30		CGEDRM
CCC[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000127132653	635520541	/nfs/dbraw/zinc/52/05/41/635520541.db2.gz	KBRILKCQXHVPGM-LBPRGKRZSA-N	-1	0	260.337	3.275	20	30		CGEDRM
CSC1(CN=Nc2cccc(C(=O)[O-])c2C)CCC1	ZINC000844623114	635944870	/nfs/dbraw/zinc/94/48/70/635944870.db2.gz	KUMHSTMUYWAQBW-UHFFFAOYSA-N	-1	0	278.377	3.377	20	30		CGEDRM
Cc1c(N=NC2C[C@@H](C)O[C@@H](C)C2)cccc1C(=O)[O-]	ZINC000844624014	635945294	/nfs/dbraw/zinc/94/52/94/635945294.db2.gz	SAQCAJQRWUEYKT-AOOOYVTPSA-N	-1	0	276.336	3.049	20	30		CGEDRM
C=C(C)CO[N-]C(=O)COc1ccccc1[C@H](C)CC	ZINC000846538234	636194790	/nfs/dbraw/zinc/19/47/90/636194790.db2.gz	SBDONKJWRPJVDT-CYBMUJFWSA-N	-1	0	277.364	3.203	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccccc1[C@H](C)CC	ZINC000846544489	636197277	/nfs/dbraw/zinc/19/72/77/636197277.db2.gz	REVRQHRHGJEWQH-CHWSQXEVSA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc(Cl)cc1	ZINC000846542352	636197447	/nfs/dbraw/zinc/19/74/47/636197447.db2.gz	ZZCADCBLACTYKX-VIFPVBQESA-N	-1	0	271.769	3.054	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc(Cl)cc1F	ZINC000846554696	636202292	/nfs/dbraw/zinc/20/22/92/636202292.db2.gz	LKGHRNNJZSHZFD-VIFPVBQESA-N	-1	0	285.746	3.379	20	30		CGEDRM
C[C@@H]1CC[C@H](CN=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414317	636570568	/nfs/dbraw/zinc/57/05/68/636570568.db2.gz	LGBUQRLJPWGGOS-YPMHNXCESA-N	-1	0	260.337	3.148	20	30		CGEDRM
CCO[C@H]1C[C@H](/N=C\c2cc(Cl)ccc2O)C1	ZINC000849170077	636762489	/nfs/dbraw/zinc/76/24/89/636762489.db2.gz	KSMFZZJFXHAWGI-JSOQGODVSA-N	-1	0	253.729	3.032	20	30		CGEDRM
Cn1ncc(C2CCC2)c1/C=C\C(=O)c1ccccc1[O-]	ZINC000849247918	636779685	/nfs/dbraw/zinc/77/96/85/636779685.db2.gz	ZHOQHSHOFDZPDX-KTKRTIGZSA-N	-1	0	282.343	3.289	20	30		CGEDRM
O=C(/C=C/c1cccs1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136517117	637388737	/nfs/dbraw/zinc/38/87/37/637388737.db2.gz	WUTGGHGQCPSRDD-GQCTYLIASA-N	-1	0	275.285	3.258	20	30		CGEDRM
C=C(Cl)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000851707801	637469072	/nfs/dbraw/zinc/46/90/72/637469072.db2.gz	KQFZIJWDELZKNF-OLZOCXBDSA-N	-1	0	271.788	3.094	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C(C)C)c2)C(=O)O1	ZINC000853000520	637728965	/nfs/dbraw/zinc/72/89/65/637728965.db2.gz	CIYRCXMBTDDJQH-IWAYRVGRSA-N	-1	0	298.338	3.038	20	30		CGEDRM
O=c1[n-]c(N=NC2C[C@@H]3CC[C@@H](C3)C2)nc2ccccc21	ZINC000853319541	637808478	/nfs/dbraw/zinc/80/84/78/637808478.db2.gz	XBMNCFYQABLCMC-PHIMTYICSA-N	-1	0	282.347	3.313	20	30		CGEDRM
C[C@@H]1CCCCN1N=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000853381493	637830525	/nfs/dbraw/zinc/83/05/25/637830525.db2.gz	DPSFYHRUXCBNOF-JHJVBQTASA-N	-1	0	280.412	3.374	20	30		CGEDRM
C[C@@H]1C(N=Nc2ccc(Cl)cn2)CC[C@H]1CC(=O)[O-]	ZINC000853436502	637840908	/nfs/dbraw/zinc/84/09/08/637840908.db2.gz	YFZUVYQKLGOAHJ-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1C(=NOCC2CCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000853441273	637844920	/nfs/dbraw/zinc/84/49/20/637844920.db2.gz	VBFHTPXHGUTWMM-ZYHUDNBSSA-N	-1	0	267.369	3.316	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@@H](C)c1ccc(Cl)s1	ZINC000856032574	638288552	/nfs/dbraw/zinc/28/85/52/638288552.db2.gz	MVAYPONTEQGEIC-QMMMGPOBSA-N	-1	0	259.758	3.129	20	30		CGEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000088818392	640626587	/nfs/dbraw/zinc/62/65/87/640626587.db2.gz	NFHYSIDMPQZLTM-UHFFFAOYSA-N	-1	0	299.779	3.237	20	30		CGEDRM
N#Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1F	ZINC001250636273	805740660	/nfs/dbraw/zinc/74/06/60/805740660.db2.gz	ZKXOPXPUKFMJAH-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C#N)ccc1F	ZINC001250634056	805739367	/nfs/dbraw/zinc/73/93/67/805739367.db2.gz	IBVFAOWRAASUSA-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
N#Cc1ccc(F)c(-c2cc([O-])c(F)c(F)c2F)c1	ZINC001250634930	805741037	/nfs/dbraw/zinc/74/10/37/805741037.db2.gz	JCNXHNLRXBUWDO-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
N#Cc1ccc(F)c(-c2cc(CC(=O)[O-])ccc2F)c1	ZINC001250635303	805741128	/nfs/dbraw/zinc/74/11/28/805741128.db2.gz	YGCQPENEBJXQRR-UHFFFAOYSA-N	-1	0	273.238	3.131	20	30		CGEDRM
Cc1ccc2[nH]c(-c3cc(C#N)ccc3[O-])nc2c1C	ZINC001251180122	805858874	/nfs/dbraw/zinc/85/88/74/805858874.db2.gz	CMYZALQYALYLJC-UHFFFAOYSA-N	-1	0	263.300	3.424	20	30		CGEDRM
Cc1cc(-n2ccc3c2cc(C#N)cc3N)ccc1C(=O)[O-]	ZINC001211658354	814927586	/nfs/dbraw/zinc/92/75/86/814927586.db2.gz	MCWNVZJLAWVULN-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
Cc1cc(-n2cc(C#N)c3ccc(N)cc32)ccc1C(=O)[O-]	ZINC001211660801	814928593	/nfs/dbraw/zinc/92/85/93/814928593.db2.gz	LXNOEPPKFJMSPX-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccccc1C	ZINC000125573345	799002068	/nfs/dbraw/zinc/00/20/68/799002068.db2.gz	YRLDZWNHJOKHNP-OAHLLOKOSA-N	-1	0	286.375	3.014	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000176393692	799095096	/nfs/dbraw/zinc/09/50/96/799095096.db2.gz	MYPUROVPRBYKIX-ZYHUDNBSSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1cccs1	ZINC000176395610	799095764	/nfs/dbraw/zinc/09/57/64/799095764.db2.gz	MLLLZMMXRHAZFI-SECBINFHSA-N	-1	0	272.329	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)c(F)c1	ZINC000307909121	799216242	/nfs/dbraw/zinc/21/62/42/799216242.db2.gz	CRLGNXRNLMNLSY-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#CCc1cccc(Nc2ccccc2C(=O)[O-])c1	ZINC000313414392	799232149	/nfs/dbraw/zinc/23/21/49/799232149.db2.gz	YKKTWNFUCIIEDC-UHFFFAOYSA-N	-1	0	252.273	3.194	20	30		CGEDRM
C=C(Cl)CSc1n[n-]c(=NCCCC)s1	ZINC000380290801	799359688	/nfs/dbraw/zinc/35/96/88/799359688.db2.gz	BMMOLNGSGJWWLQ-UHFFFAOYSA-N	-1	0	263.819	3.017	20	30		CGEDRM
C[C@@H]1Oc2ccccc2[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000809143390	800412041	/nfs/dbraw/zinc/41/20/41/800412041.db2.gz	QDEYTDWZXXUELG-JKRBLVKLSA-N	-1	0	298.298	3.242	20	30		CGEDRM
C[C@@H]1Oc2ccccc2[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000809143393	800412109	/nfs/dbraw/zinc/41/21/09/800412109.db2.gz	QDEYTDWZXXUELG-VNMMLVPOSA-N	-1	0	298.298	3.242	20	30		CGEDRM
Cc1ccsc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809154120	800413436	/nfs/dbraw/zinc/41/34/36/800413436.db2.gz	NKVAQDPNHYHKCS-HYXAFXHYSA-N	-1	0	288.324	3.356	20	30		CGEDRM
C#Cc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC001256317241	806859204	/nfs/dbraw/zinc/85/92/04/806859204.db2.gz	UVICSGGFOAAZGH-UHFFFAOYSA-N	-1	0	291.759	3.122	20	30		CGEDRM
Cc1oc(C)c(C([O-])=C(C#N)c2cccc(F)n2)c1C	ZINC001122631675	802877903	/nfs/dbraw/zinc/87/79/03/802877903.db2.gz	IEGXQIKVMWFNIR-NSHDSACASA-N	-1	0	272.279	3.229	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2ccc(F)c(C(=O)[O-])c2F)n1	ZINC001205073905	812848067	/nfs/dbraw/zinc/84/80/67/812848067.db2.gz	AMYWIUJXKGBSIT-UHFFFAOYSA-N	-1	0	288.253	3.100	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cc(F)c([O-])c(F)c1	ZINC001244094617	803183004	/nfs/dbraw/zinc/18/30/04/803183004.db2.gz	JNCQBCJCVQFWDN-UHFFFAOYSA-N	-1	0	283.237	3.152	20	30		CGEDRM
N#Cc1cc(-c2cc(C(=O)[O-])c(Cl)cc2F)ccn1	ZINC001244611563	803464022	/nfs/dbraw/zinc/46/40/22/803464022.db2.gz	DBVILWHKULGQLX-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1cc2ccccc2nc1-c1cnc(F)c(C(=O)[O-])c1	ZINC001244753952	803520260	/nfs/dbraw/zinc/52/02/60/803520260.db2.gz	USTXFPAUABWJPJ-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
C[C@@H](C#N)c1ccc(-c2cc(C(=O)[O-])cnc2F)cc1	ZINC001244762975	803523126	/nfs/dbraw/zinc/52/31/26/803523126.db2.gz	SSHLCCSHHMTKJW-VIFPVBQESA-N	-1	0	270.263	3.213	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1cc(C)c(C(=O)[O-])c(C)c1	ZINC001244949416	803588060	/nfs/dbraw/zinc/58/80/60/803588060.db2.gz	MPYQGHRIPJHKTH-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
N#Cc1ccc(-c2cc(Cl)ccc2[O-])c(C#N)c1	ZINC001245052764	803623956	/nfs/dbraw/zinc/62/39/56/803623956.db2.gz	UHSQQEZXRNIGMG-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
CCc1nnc(-c2cccc(C(=O)[O-])c2C)c(C#N)c1CC	ZINC001245296860	803693282	/nfs/dbraw/zinc/69/32/82/803693282.db2.gz	JIQOGMKHCCPMCG-UHFFFAOYSA-N	-1	0	295.342	3.147	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1ccccc1OCC#N	ZINC001245298533	803694272	/nfs/dbraw/zinc/69/42/72/803694272.db2.gz	BSYAXCDOCGRNDQ-UHFFFAOYSA-N	-1	0	267.284	3.263	20	30		CGEDRM
COc1cccc(-c2cccc(C(=O)[O-])c2C)c1C#N	ZINC001245301747	803696175	/nfs/dbraw/zinc/69/61/75/803696175.db2.gz	WCVJDRAIRDHKQV-UHFFFAOYSA-N	-1	0	267.284	3.241	20	30		CGEDRM
C#Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cn1	ZINC001211963072	814962148	/nfs/dbraw/zinc/96/21/48/814962148.db2.gz	WFYPWGDCZJMQAB-UHFFFAOYSA-N	-1	0	272.691	3.158	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211963115	814962782	/nfs/dbraw/zinc/96/27/82/814962782.db2.gz	XFKJBGVGKVUBPA-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
N#CCc1cccnc1-c1cc(Cl)c([O-])cc1F	ZINC001245668081	803895810	/nfs/dbraw/zinc/89/58/10/803895810.db2.gz	MINJTYPOESWDBW-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#CCc1cc(-c2cc(Cl)c([O-])cc2F)ccn1	ZINC001245671306	803899940	/nfs/dbraw/zinc/89/99/40/803899940.db2.gz	VBOVBZFMWUQLNX-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1nc(-c2c(F)ccc([O-])c2Cl)ccc1C#N	ZINC001245829785	803984480	/nfs/dbraw/zinc/98/44/80/803984480.db2.gz	DJAXJQSVSSLVIW-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
C=CCn1[n-]c(-c2ccc(C(F)(F)F)cc2)cc1=O	ZINC001245916666	804043412	/nfs/dbraw/zinc/04/34/12/804043412.db2.gz	SBCDXQSVYOYGAM-UHFFFAOYSA-N	-1	0	268.238	3.461	20	30		CGEDRM
C[C@H]1CCC[C@H]1n1[n-]c(-c2ccc(C#N)cc2)cc1=O	ZINC001245932645	804063725	/nfs/dbraw/zinc/06/37/25/804063725.db2.gz	JUSQXMRPBNZVDM-XHDPSFHLSA-N	-1	0	267.332	3.488	20	30		CGEDRM
Cc1c(F)c(F)ccc1C(=O)Nc1ccc(O)c(C#N)c1	ZINC001148600652	805198243	/nfs/dbraw/zinc/19/82/43/805198243.db2.gz	FVEQGNPTOISIQP-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(O)c1	ZINC001249964800	805333004	/nfs/dbraw/zinc/33/30/04/805333004.db2.gz	MTFPZYQBEKTODR-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Cc1ccccc1C#N	ZINC001250046551	805387076	/nfs/dbraw/zinc/38/70/76/805387076.db2.gz	YCUGMYGADLAWMR-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2cccc([S-])c2)cc1	ZINC001250208843	805491141	/nfs/dbraw/zinc/49/11/41/805491141.db2.gz	CTEBOLZPWZEVKJ-UHFFFAOYSA-N	-1	0	253.326	3.272	20	30		CGEDRM
N#Cc1cn(-c2ccc(Cl)c([O-])c2)c2cc(N)ccc12	ZINC001212593796	815080821	/nfs/dbraw/zinc/08/08/21/815080821.db2.gz	KLGBMZCPHGHMGC-UHFFFAOYSA-N	-1	0	283.718	3.443	20	30		CGEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C	ZINC001258650535	807522161	/nfs/dbraw/zinc/52/21/61/807522161.db2.gz	OQWRKWSFVGMTGS-UHFFFAOYSA-N	-1	0	292.360	3.125	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)C2CCCCC2)cc1F	ZINC001259816255	807689764	/nfs/dbraw/zinc/68/97/64/807689764.db2.gz	UTXOYHGAQRONFN-UHFFFAOYSA-N	-1	0	296.367	3.080	20	30		CGEDRM
CCCCCCCC[C@@H](CC)N[C@H]1SC(=O)[N-]C1=O	ZINC001172506139	808362423	/nfs/dbraw/zinc/36/24/23/808362423.db2.gz	OMDFNGISUNYOLM-YPMHNXCESA-N	-1	0	286.441	3.414	20	30		CGEDRM
CCCCCCCC[C@@H](CCC)NCS(=O)(=O)[O-]	ZINC001173310494	808605799	/nfs/dbraw/zinc/60/57/99/808605799.db2.gz	WEWDCBKPSCCADU-CYBMUJFWSA-N	-1	0	279.446	3.341	20	30		CGEDRM
COc1ccc(Nc2scc([O-])c2C#N)c(F)c1	ZINC001174144158	808888938	/nfs/dbraw/zinc/88/89/38/808888938.db2.gz	XLMOXBVFSKUUEZ-UHFFFAOYSA-N	-1	0	264.281	3.217	20	30		CGEDRM
COc1c(F)ccc(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174664220	809123324	/nfs/dbraw/zinc/12/33/24/809123324.db2.gz	CCDIJERGMAPQCP-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1c(C)cccc1C#N	ZINC001174676168	809126054	/nfs/dbraw/zinc/12/60/54/809126054.db2.gz	GGVDFWFHDJTNRT-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])cc1OC	ZINC001174676329	809127163	/nfs/dbraw/zinc/12/71/63/809127163.db2.gz	IECATALOLDKKQB-UHFFFAOYSA-N	-1	0	267.284	3.118	20	30		CGEDRM
C=C(C)Nc1cccc2cc(S(=O)(=O)[O-])ccc21	ZINC001174793552	809164860	/nfs/dbraw/zinc/16/48/60/809164860.db2.gz	CZIPOAKLTIDZLA-UHFFFAOYSA-N	-1	0	263.318	3.032	20	30		CGEDRM
C#Cc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1F	ZINC001174953771	809213068	/nfs/dbraw/zinc/21/30/68/809213068.db2.gz	NRDKCHNOLQEMJM-UHFFFAOYSA-N	-1	0	269.275	3.178	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174953491	809213657	/nfs/dbraw/zinc/21/36/57/809213657.db2.gz	UAVYSXGJRFITDZ-UHFFFAOYSA-N	-1	0	291.310	3.109	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174955654	809215372	/nfs/dbraw/zinc/21/53/72/809215372.db2.gz	CRHVXUFDAXHMBC-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1C(C)(C)C	ZINC001174981253	809223502	/nfs/dbraw/zinc/22/35/02/809223502.db2.gz	HTAUJFTXUKUUJO-UHFFFAOYSA-N	-1	0	298.346	3.260	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175218811	809312243	/nfs/dbraw/zinc/31/22/43/809312243.db2.gz	MLMXPWFHNOAVES-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001175219185	809312256	/nfs/dbraw/zinc/31/22/56/809312256.db2.gz	XYOSSBLNDUUVJQ-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C#Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1F	ZINC001175220161	809312792	/nfs/dbraw/zinc/31/27/92/809312792.db2.gz	LCPYBSGRBSCAQI-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
Cn1cc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc2n1	ZINC001175622708	809478308	/nfs/dbraw/zinc/47/83/08/809478308.db2.gz	BRSHPMKINNBTTL-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
Cc1n[nH]c2ccc(Nc3cc(C#N)c(F)cc3[O-])cc12	ZINC001175701468	809513121	/nfs/dbraw/zinc/51/31/21/809513121.db2.gz	FAXOZLRQCMLPGU-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
CCc1cccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)c1	ZINC001299058466	809543617	/nfs/dbraw/zinc/54/36/17/809543617.db2.gz	OQZSJGALCDDLNU-UHFFFAOYSA-N	-1	0	280.327	3.103	20	30		CGEDRM
COc1cc(Nc2c(C#N)cccc2OC)cc(C(=O)[O-])c1	ZINC001213592388	815307996	/nfs/dbraw/zinc/30/79/96/815307996.db2.gz	FKYJZXPCQNTVEG-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1cnc(Nc2csc(C(=O)[O-])c2)c(Cl)c1	ZINC001176437502	809697480	/nfs/dbraw/zinc/69/74/80/809697480.db2.gz	WRXIHNDKEBWDDL-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2csc(C(=O)[O-])c2)c1	ZINC001176438752	809697537	/nfs/dbraw/zinc/69/75/37/809697537.db2.gz	BQQFJJJMIYAGDP-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
C#Cc1ccc(Nc2csc(C(=O)[O-])c2)cc1F	ZINC001176441316	809699250	/nfs/dbraw/zinc/69/92/50/809699250.db2.gz	YYBIJGRQPUSXFE-UHFFFAOYSA-N	-1	0	261.277	3.310	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001176597050	809727443	/nfs/dbraw/zinc/72/74/43/809727443.db2.gz	LDHCCORVUCTDPM-XBXARRHUSA-N	-1	0	289.294	3.271	20	30		CGEDRM
C#Cc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC001176676558	809740929	/nfs/dbraw/zinc/74/09/29/809740929.db2.gz	GQIHFMNDPYLPSF-UHFFFAOYSA-N	-1	0	282.255	3.018	20	30		CGEDRM
N#Cc1cnc(Nc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC001176711972	809746777	/nfs/dbraw/zinc/74/67/77/809746777.db2.gz	VHMZWLSCSCHDFC-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
Cc1coc(Nc2ccc(CCC(=O)[O-])cc2)c1C#N	ZINC001213627921	815313852	/nfs/dbraw/zinc/31/38/52/815313852.db2.gz	SHRDPYOXJLAWIA-UHFFFAOYSA-N	-1	0	270.288	3.221	20	30		CGEDRM
C[C@@H]1C[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)c2ccccc21	ZINC001184245965	810185416	/nfs/dbraw/zinc/18/54/16/810185416.db2.gz	FZSOJZLQUAJHHG-DYVFJYSZSA-N	-1	0	294.374	3.401	20	30		CGEDRM
C[C@H]1CCC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001184508454	810205760	/nfs/dbraw/zinc/20/57/60/810205760.db2.gz	HVVLYAVBKIWUCK-VHSXEESVSA-N	-1	0	276.311	3.168	20	30		CGEDRM
CCCCCCCCCNS(=O)(=O)c1ccccc1[O-]	ZINC001184927918	810223528	/nfs/dbraw/zinc/22/35/28/810223528.db2.gz	LDPZMQTZZDTECJ-UHFFFAOYSA-N	-1	0	299.436	3.421	20	30		CGEDRM
Cc1cc(C)c([N-]S(=O)(=O)c2ccsc2)cc1C#N	ZINC001185392612	810260598	/nfs/dbraw/zinc/26/05/98/810260598.db2.gz	TVFGZGJJLMYYIV-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccco2)c2ccccc12	ZINC001186797197	810362676	/nfs/dbraw/zinc/36/26/76/810362676.db2.gz	IIOUONZPLDFMAO-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(N)c1	ZINC001214191974	815380928	/nfs/dbraw/zinc/38/09/28/815380928.db2.gz	GEEJDODMQMYZCS-UHFFFAOYSA-N	-1	0	257.268	3.037	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cc([C@@H](C)CCC)no2)CC1	ZINC001190766235	810647523	/nfs/dbraw/zinc/64/75/23/810647523.db2.gz	OTTNDISQFLIQLJ-NSHDSACASA-N	-1	0	298.408	3.429	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)CC1	ZINC001190766772	810647614	/nfs/dbraw/zinc/64/76/14/810647614.db2.gz	YEKDDIAUNHOURG-UHFFFAOYSA-N	-1	0	296.417	3.087	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)CC1	ZINC001190813421	810649470	/nfs/dbraw/zinc/64/94/70/810649470.db2.gz	IOOHVNRIQXSDHW-UHFFFAOYSA-N	-1	0	296.779	3.062	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2c(F)ccc(F)c2[O-])cc1F	ZINC001192716183	810818820	/nfs/dbraw/zinc/81/88/20/810818820.db2.gz	JBDYWDVIXCERFF-UHFFFAOYSA-N	-1	0	291.228	3.043	20	30		CGEDRM
CN(C(=O)c1cccc(C#N)c1[O-])[C@@H]1CCc2ccccc21	ZINC001193647084	810927169	/nfs/dbraw/zinc/92/71/69/810927169.db2.gz	VAQQJUGOPNQBLF-MRXNPFEDSA-N	-1	0	292.338	3.023	20	30		CGEDRM
N#Cc1cccc(C(=O)NCc2ccccc2C2CC2)c1[O-]	ZINC001193657960	810930594	/nfs/dbraw/zinc/93/05/94/810930594.db2.gz	NGDMTLZLMIDTLI-UHFFFAOYSA-N	-1	0	292.338	3.071	20	30		CGEDRM
C=CCOC(=O)Nc1ccc(Cl)c(Cl)c1[O-]	ZINC001194319742	811050675	/nfs/dbraw/zinc/05/06/75/811050675.db2.gz	BHFSQPPJBISDPQ-UHFFFAOYSA-N	-1	0	262.092	3.434	20	30		CGEDRM
CCOC(=O)NC(=S)[N-]c1ccc(C(C)C)cc1C#N	ZINC001195486908	811260288	/nfs/dbraw/zinc/26/02/88/811260288.db2.gz	MOPKNQYLZGVZEC-UHFFFAOYSA-N	-1	0	291.376	3.125	20	30		CGEDRM
N#Cc1cc(Nc2cccc(Cl)c2CO)c([O-])cc1F	ZINC001214654538	815437964	/nfs/dbraw/zinc/43/79/64/815437964.db2.gz	UUJQMZJACVIGMK-UHFFFAOYSA-N	-1	0	292.697	3.292	20	30		CGEDRM
C=CCC(CC=C)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227603169	817680634	/nfs/dbraw/zinc/68/06/34/817680634.db2.gz	FDGNWKWTOFPERY-UHFFFAOYSA-N	-1	0	275.135	3.389	20	30		CGEDRM
CCc1cc(C#N)ccc1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215110075	815483326	/nfs/dbraw/zinc/48/33/26/815483326.db2.gz	VEJVWNNRXYJZGG-UHFFFAOYSA-N	-1	0	285.278	3.097	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cncc(O)c2)cc1Cl	ZINC001201646735	811929774	/nfs/dbraw/zinc/92/97/74/811929774.db2.gz	NFMHVGUHJUQYTD-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
CCCCCCCCCCS(=O)(=O)[N-]c1ccncn1	ZINC001201830907	811967980	/nfs/dbraw/zinc/96/79/80/811967980.db2.gz	NBQIQBDQBUYYRG-UHFFFAOYSA-N	-1	0	299.440	3.359	20	30		CGEDRM
Cc1cccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001202317376	812064226	/nfs/dbraw/zinc/06/42/26/812064226.db2.gz	KVAONJRSFRFJHF-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
N#CCc1cccc(Nc2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001215281073	815502424	/nfs/dbraw/zinc/50/24/24/815502424.db2.gz	FUKARMCUTZFENO-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
C=CCNC(=O)Nc1cc(Cl)c([O-])cc1Cl	ZINC001202570419	812125510	/nfs/dbraw/zinc/12/55/10/812125510.db2.gz	ZMJVAJPYDZKXKR-UHFFFAOYSA-N	-1	0	261.108	3.007	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccsc2C(=O)[O-])c1	ZINC001215394375	815515698	/nfs/dbraw/zinc/51/56/98/815515698.db2.gz	XZXRAYHOFYNDDX-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC001203292997	812295868	/nfs/dbraw/zinc/29/58/68/812295868.db2.gz	QLHVJOLTKFSYNT-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001203325074	812312807	/nfs/dbraw/zinc/31/28/07/812312807.db2.gz	WPIPMBYHUBQAAN-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
N#Cc1ccccc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215463928	815521690	/nfs/dbraw/zinc/52/16/90/815521690.db2.gz	WIJMSGANRBOZQC-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3ccc(F)c(C(=O)[O-])c3F)ccc12	ZINC001205069417	812846717	/nfs/dbraw/zinc/84/67/17/812846717.db2.gz	LDLQLRAFEWQSJT-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
COc1cc(F)c(Nc2scc([O-])c2C#N)cc1OC	ZINC001215719841	815564874	/nfs/dbraw/zinc/56/48/74/815564874.db2.gz	LWUYMEIKYUTQKJ-UHFFFAOYSA-N	-1	0	294.307	3.225	20	30		CGEDRM
N#Cc1ncc(-c2ccsc2C(=O)[O-])cc1C(F)(F)F	ZINC001205580918	813011923	/nfs/dbraw/zinc/01/19/23/813011923.db2.gz	ZYGCHHGPGXKIFB-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
Cc1nc(-c2csc(C(=O)[O-])c2)c(C#N)c(C)c1C	ZINC001206266122	813263774	/nfs/dbraw/zinc/26/37/74/813263774.db2.gz	YHSQZEDBXFPBHR-UHFFFAOYSA-N	-1	0	272.329	3.305	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2cc(F)cc(C(=O)[O-])c2)c1F	ZINC001209889678	814189904	/nfs/dbraw/zinc/18/99/04/814189904.db2.gz	QAVXGTDZOGTXLP-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
COc1ccc(Nc2ccc(C)cc2C#N)cc1C(=O)[O-]	ZINC001209902571	814194061	/nfs/dbraw/zinc/19/40/61/814194061.db2.gz	FXGXQLHERNSMOX-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(O)c(C#N)c1	ZINC001210007058	814239980	/nfs/dbraw/zinc/23/99/80/814239980.db2.gz	JTOFFGLWUBIOMC-UHFFFAOYSA-N	-1	0	286.262	3.153	20	30		CGEDRM
N#CCc1ccccc1Nc1cccc(CC(=O)[O-])c1	ZINC001210073729	814275082	/nfs/dbraw/zinc/27/50/82/814275082.db2.gz	VPWYIYCOWVWNEL-UHFFFAOYSA-N	-1	0	266.300	3.123	20	30		CGEDRM
N#Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(F)c1F	ZINC001210397905	814444152	/nfs/dbraw/zinc/44/41/52/814444152.db2.gz	HYBSSCGUQFTWDI-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
CCc1ncccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210469492	814475752	/nfs/dbraw/zinc/47/57/52/814475752.db2.gz	YCUKWELMGNSGTI-UHFFFAOYSA-N	-1	0	257.268	3.104	20	30		CGEDRM
N#Cc1cc(O)ccc1Nc1cccc([O-])c1Cl	ZINC001210859732	814654046	/nfs/dbraw/zinc/65/40/46/814654046.db2.gz	LOBWBPSOPYDADF-UHFFFAOYSA-N	-1	0	260.680	3.366	20	30		CGEDRM
Cn1cc(Nc2cc(Cl)c([O-])c(Cl)c2)c(C#N)n1	ZINC001210926522	814677566	/nfs/dbraw/zinc/67/75/66/814677566.db2.gz	LLULPRTWWGEKAA-UHFFFAOYSA-N	-1	0	283.118	3.048	20	30		CGEDRM
N#Cc1cc(Nc2ccc([S-])cc2)cc([N+](=O)[O-])c1	ZINC001211330656	814880015	/nfs/dbraw/zinc/88/00/15/814880015.db2.gz	YJMXERXEBVUDCP-UHFFFAOYSA-N	-1	0	271.301	3.499	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2C#N)cc(C(=O)[O-])c1	ZINC001211550054	814906342	/nfs/dbraw/zinc/90/63/42/814906342.db2.gz	UVLAUIDONKDCPQ-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
N#Cc1cccc(-c2noc(-c3ccc(F)cc3[O-])n2)c1	ZINC001215931575	815633996	/nfs/dbraw/zinc/63/39/96/815633996.db2.gz	CREAUEVHKYQTRZ-UHFFFAOYSA-N	-1	0	281.246	3.120	20	30		CGEDRM
CCc1cc(Nc2scc([O-])c2C#N)ccc1CO	ZINC001216103729	815695402	/nfs/dbraw/zinc/69/54/02/815695402.db2.gz	JGSHPPHTSXCSDV-UHFFFAOYSA-N	-1	0	274.345	3.124	20	30		CGEDRM
N#CCc1nccnc1-c1cc(Cl)c([O-])c(Cl)c1	ZINC001242849996	823152059	/nfs/dbraw/zinc/15/20/59/823152059.db2.gz	YRFYYDVPUGTXRO-UHFFFAOYSA-N	-1	0	280.114	3.222	20	30		CGEDRM
N#Cc1ccc([O-])c(Nc2cc(F)cc([N+](=O)[O-])c2)c1	ZINC001216483616	815838275	/nfs/dbraw/zinc/83/82/75/815838275.db2.gz	BLWZJHHBOWWNHK-UHFFFAOYSA-N	-1	0	273.223	3.055	20	30		CGEDRM
Cc1csc(Nc2cc(CC(=O)[O-])ccc2F)c1C#N	ZINC001216676945	815891248	/nfs/dbraw/zinc/89/12/48/815891248.db2.gz	OWCZHZZNIOPDDS-UHFFFAOYSA-N	-1	0	290.319	3.438	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216681692	815892647	/nfs/dbraw/zinc/89/26/47/815892647.db2.gz	JZHBTLAEDGBCSW-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1cc(F)ccc1-c1noc(-c2cccc(C#N)c2[O-])n1	ZINC001216979505	815904163	/nfs/dbraw/zinc/90/41/63/815904163.db2.gz	APVBJADDFAHYCA-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)c([O-])c1	ZINC001217039763	815907771	/nfs/dbraw/zinc/90/77/71/815907771.db2.gz	NCLBQAXOBBJASI-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
CCOC(=O)c1ccc(C#N)c(-c2ccccc2C(=O)[O-])c1	ZINC001242878474	823161997	/nfs/dbraw/zinc/16/19/97/823161997.db2.gz	UROZNNBXVGLVIQ-UHFFFAOYSA-N	-1	0	295.294	3.100	20	30		CGEDRM
N#Cc1cc(-c2ccccc2C(=O)[O-])nc2ccccc12	ZINC001242878204	823162123	/nfs/dbraw/zinc/16/21/23/823162123.db2.gz	CHMNZPXSRPCGAA-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#CCc1cc(-c2c(F)cc(C(=O)[O-])cc2F)ccc1C#N	ZINC001222403784	816435158	/nfs/dbraw/zinc/43/51/58/816435158.db2.gz	WKTWOFHGURFNFZ-UHFFFAOYSA-N	-1	0	298.248	3.268	20	30		CGEDRM
N#Cc1cnccc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC001222610575	816477628	/nfs/dbraw/zinc/47/76/28/816477628.db2.gz	OCBDRUIJLWAXCS-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
C=C(C)C(=O)OC[C@H](C)O/C(=N\O)c1ccc(Cl)cc1	ZINC001223592496	816654531	/nfs/dbraw/zinc/65/45/31/816654531.db2.gz	ALXWWUJRULBDBH-VQZCRYCJSA-N	-1	0	297.738	3.000	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cnccn1	ZINC001223594096	816655917	/nfs/dbraw/zinc/65/59/17/816655917.db2.gz	RZXVJBMFAKCAOZ-FCZKIDGVSA-N	-1	0	277.711	3.044	20	30		CGEDRM
C=C[C@@H](CCCC)OCc1ccc(S(=O)(=O)[O-])cc1	ZINC001223746817	816674379	/nfs/dbraw/zinc/67/43/79/816674379.db2.gz	TWXCGJDUXYDQLX-ZDUSSCGKSA-N	-1	0	284.377	3.195	20	30		CGEDRM
C=CC[C@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)C	ZINC001223891343	816699259	/nfs/dbraw/zinc/69/92/59/816699259.db2.gz	IKSPJOIYTZCEHM-HYEKCJMVSA-N	-1	0	293.363	3.457	20	30		CGEDRM
[O-]/N=C/c1cccc(-c2cc(Br)cnc2F)c1	ZINC001243080177	823239800	/nfs/dbraw/zinc/23/98/00/823239800.db2.gz	XAPVPEWFQNIFDK-OMCISZLKSA-N	-1	0	295.111	3.458	20	30		CGEDRM
[O-]N=Cc1ccccc1-c1cc(Br)cnc1F	ZINC001243082740	823240559	/nfs/dbraw/zinc/24/05/59/823240559.db2.gz	ZLVXTJMLZKQZDH-UHFFFAOYSA-N	-1	0	295.111	3.458	20	30		CGEDRM
C#C[C@@H](CCCCC)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225619497	817116004	/nfs/dbraw/zinc/11/60/04/817116004.db2.gz	BJUJRUGFOWSWNR-NSHDSACASA-N	-1	0	263.293	3.261	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1	ZINC001225665690	817132765	/nfs/dbraw/zinc/13/27/65/817132765.db2.gz	DKCMRRBKNAJJKN-AAEUAGOBSA-N	-1	0	290.319	3.375	20	30		CGEDRM
C=C[C@H](C#CC(C)(C)C)Oc1cccc(/C=N/O)c1	ZINC001226115638	817276484	/nfs/dbraw/zinc/27/64/84/817276484.db2.gz	GQEPLAPNRIQFCC-RFRKOGIWSA-N	-1	0	257.333	3.478	20	30		CGEDRM
CCCCCCCCCC[C@H](C)Oc1c([O-])c(=O)c1=O	ZINC001226608216	817412348	/nfs/dbraw/zinc/41/23/48/817412348.db2.gz	YFNBPQJDZGDNPI-LBPRGKRZSA-N	-1	0	282.380	3.286	20	30		CGEDRM
C=CC[C@H](CCC)Oc1nc[n-]c(=O)c1Br	ZINC001226721653	817445847	/nfs/dbraw/zinc/44/58/47/817445847.db2.gz	LGTVTMPQCQAELV-MRVPVSSYSA-N	-1	0	287.157	3.068	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226784672	817463122	/nfs/dbraw/zinc/46/31/22/817463122.db2.gz	HKOMDUPDEMKAHM-VIFPVBQESA-N	-1	0	278.381	3.155	20	30		CGEDRM
COC(=O)c1ccc(-c2cc(C)cc(C(=O)[O-])c2)cc1C#N	ZINC001243177647	823274392	/nfs/dbraw/zinc/27/43/92/823274392.db2.gz	CFKSQJITVVZFIH-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227348049	817628252	/nfs/dbraw/zinc/62/82/52/817628252.db2.gz	USMDTVORSNWHGJ-NSHDSACASA-N	-1	0	256.305	3.153	20	30		CGEDRM
C=CC[C@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227716282	817701624	/nfs/dbraw/zinc/70/16/24/817701624.db2.gz	NIRCBTUFGFKFRQ-WDEREUQCSA-N	-1	0	278.352	3.287	20	30		CGEDRM
C#CC[C@@H](C)Oc1cc(-c2ccccc2)nc(=S)[nH]1	ZINC001228347600	817883612	/nfs/dbraw/zinc/88/36/12/817883612.db2.gz	SXFASOAPZSTHFG-LLVKDONJSA-N	-1	0	270.357	3.223	20	30		CGEDRM
C#CC[C@H](C)Oc1cc(-c2ccccc2)nc(=S)[nH]1	ZINC001228347601	817884283	/nfs/dbraw/zinc/88/42/83/817884283.db2.gz	SXFASOAPZSTHFG-NSHDSACASA-N	-1	0	270.357	3.223	20	30		CGEDRM
Cc1cc(-c2cccc(CC#N)c2)ccc1C(=O)[O-]	ZINC001243215382	823296465	/nfs/dbraw/zinc/29/64/65/823296465.db2.gz	XHUSWTGCPJJSOT-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
C[C@H](CS)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231220307	818059360	/nfs/dbraw/zinc/05/93/60/818059360.db2.gz	XFKLNKQAWFCDLY-LLVKDONJSA-N	-1	0	288.368	3.320	20	30		CGEDRM
C[N@H+](Cc1nc2ccccc2o1)Cc1cc(C#N)ccc1[O-]	ZINC001232677490	818416636	/nfs/dbraw/zinc/41/66/36/818416636.db2.gz	DWMQQZNTUMZXJL-UHFFFAOYSA-N	-1	0	293.326	3.037	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](Oc2n[n-]c(=O)cc2Cl)C(C)(C)O1	ZINC001233590313	818650536	/nfs/dbraw/zinc/65/05/36/818650536.db2.gz	PBNRXNRYCSIYFS-HZMBPMFUSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C1O[C@H](C)C(=O)C1Oc1ccc2[n-]c(=S)sc2c1	ZINC001234424129	818852576	/nfs/dbraw/zinc/85/25/76/818852576.db2.gz	IMFVGIAOYDTACD-ZCFIWIBFSA-N	-1	0	293.369	3.183	20	30		CGEDRM
COc1ccc([C@@H](C)Oc2ccccc2C=N[O-])cn1	ZINC001234819662	818927488	/nfs/dbraw/zinc/92/74/88/818927488.db2.gz	NOFAXIJFEKOHRQ-LLVKDONJSA-N	-1	0	272.304	3.038	20	30		CGEDRM
CCOC(=O)c1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236061871	819294888	/nfs/dbraw/zinc/29/48/88/819294888.db2.gz	LEOSNIJPHFAEFA-UHFFFAOYSA-N	-1	0	295.294	3.100	20	30		CGEDRM
N#CCc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)nc1	ZINC001236143302	819344081	/nfs/dbraw/zinc/34/40/81/819344081.db2.gz	MNOSTBKUCAPQCX-UHFFFAOYSA-N	-1	0	290.681	3.305	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2cc(F)cc(F)c2[O-])n1	ZINC001243499178	823420126	/nfs/dbraw/zinc/42/01/26/823420126.db2.gz	CQKKYMRSZXSNGY-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243516270	823427776	/nfs/dbraw/zinc/42/77/76/823427776.db2.gz	TUYQTMXGJHIOHS-UHFFFAOYSA-N	-1	0	273.238	3.096	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(Cl)c([O-])c3)c1-2	ZINC001243578897	823452695	/nfs/dbraw/zinc/45/26/95/823452695.db2.gz	LHKADUOQKXGGAA-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
COc1nc(-c2ccc(Cl)c([O-])c2)c(F)cc1C#N	ZINC001243578636	823452984	/nfs/dbraw/zinc/45/29/84/823452984.db2.gz	HARWHIZFHMRZCM-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1nc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1CC#N	ZINC001240548603	821135607	/nfs/dbraw/zinc/13/56/07/821135607.db2.gz	IDLWPORDWIYNHY-VMPITWQZSA-N	-1	0	278.311	3.221	20	30		CGEDRM
COc1cc(-c2nc(C(C)C)ccc2C#N)ccc1C(=O)[O-]	ZINC001240741338	821293527	/nfs/dbraw/zinc/29/35/27/821293527.db2.gz	CXBWLWJMTSRHSG-UHFFFAOYSA-N	-1	0	296.326	3.450	20	30		CGEDRM
N#Cc1cc(-c2ccc(CC(=O)[O-])cc2)nc2ccccc12	ZINC001240972315	821457351	/nfs/dbraw/zinc/45/73/51/821457351.db2.gz	FRCICRPKTWNFDK-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
COC(=O)c1cc(C#N)ccc1-c1cc(C(=O)[O-])ccc1C	ZINC001241000647	821478260	/nfs/dbraw/zinc/47/82/60/821478260.db2.gz	HAKLWGXOLUISLI-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
Cc1ccc(CC#N)c(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001241000283	821478894	/nfs/dbraw/zinc/47/88/94/821478894.db2.gz	LOBDRYZAJMYSOM-UHFFFAOYSA-N	-1	0	266.300	3.130	20	30		CGEDRM
CCc1nnc(-c2cc(C(=O)[O-])ccc2C)c(C#N)c1CC	ZINC001241001458	821479883	/nfs/dbraw/zinc/47/98/83/821479883.db2.gz	YWNOUDAMIRIKBE-UHFFFAOYSA-N	-1	0	295.342	3.147	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3c(F)cc([O-])cc3F)c12	ZINC001241120356	821576145	/nfs/dbraw/zinc/57/61/45/821576145.db2.gz	QHAKMQABYOIZOX-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241185253	821622465	/nfs/dbraw/zinc/62/24/65/821622465.db2.gz	PQGMMJCLIRYUNP-UHFFFAOYSA-N	-1	0	289.237	3.232	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241347255	821750901	/nfs/dbraw/zinc/75/09/01/821750901.db2.gz	VVAUVWVKRGVTKC-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1C#N	ZINC001241348482	821751917	/nfs/dbraw/zinc/75/19/17/821751917.db2.gz	VGZOKFIYIBTKHF-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1cccc(C(=O)[O-])c1	ZINC001241359848	821761131	/nfs/dbraw/zinc/76/11/31/821761131.db2.gz	VFQUEOAPISOSAD-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
COc1cc(-c2cc(F)cc(C(=O)[O-])c2)cc(F)c1C#N	ZINC001241837469	822172629	/nfs/dbraw/zinc/17/26/29/822172629.db2.gz	WKVJBJXQRBILGP-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242147891	822894161	/nfs/dbraw/zinc/89/41/61/822894161.db2.gz	IFRFQGWVDPDQRB-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
COc1ccc(C#N)c(-c2cc(C(F)(F)F)ccc2[O-])n1	ZINC001242148344	822894913	/nfs/dbraw/zinc/89/49/13/822894913.db2.gz	UXMRUZMKNVBJHO-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1[nH]ccc2ncc(C#N)c1-2	ZINC001242208207	822910684	/nfs/dbraw/zinc/91/06/84/822910684.db2.gz	CSPAIPVUZGVFKG-UHFFFAOYSA-N	-1	0	295.273	3.247	20	30		CGEDRM
N#CCc1cccc(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242263630	822930209	/nfs/dbraw/zinc/93/02/09/822930209.db2.gz	KLWQHPRGTSROTJ-UHFFFAOYSA-N	-1	0	251.285	3.047	20	30		CGEDRM
COc1cccc(-c2ccccc2/C=C/C(=O)[O-])c1C#N	ZINC001242300719	822944670	/nfs/dbraw/zinc/94/46/70/822944670.db2.gz	VHWFQFNNCOQJBW-MDZDMXLPSA-N	-1	0	279.295	3.332	20	30		CGEDRM
C[C@H](C#N)c1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242337115	822954511	/nfs/dbraw/zinc/95/45/11/822954511.db2.gz	ZJXSPEYSKBQDIC-SNVBAGLBSA-N	-1	0	252.273	3.074	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cccc(Cl)c1[O-])CCC2	ZINC001242365197	822968017	/nfs/dbraw/zinc/96/80/17/822968017.db2.gz	PEHSFWDKQVBKAP-UHFFFAOYSA-N	-1	0	270.719	3.468	20	30		CGEDRM
N#C[C@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC001343363646	936496310	/nfs/dbraw/zinc/49/63/10/936496310.db2.gz	IBBMWTYPISNHCX-MRVPVSSYSA-N	-1	0	299.157	3.075	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC001344571716	936538922	/nfs/dbraw/zinc/53/89/22/936538922.db2.gz	SWPPAHOLWHHLQX-JTQLQIEISA-N	-1	0	272.329	3.412	20	30		CGEDRM
CCSc1ccccc1C([O-])=C(C#N)c1nccn1C	ZINC001346548018	936852828	/nfs/dbraw/zinc/85/28/28/936852828.db2.gz	FTHXWHZZECMPAX-LBPRGKRZSA-N	-1	0	285.372	3.022	20	30		CGEDRM
N#CC(=C([O-])C1=CCCCCC1)c1ncc(F)cc1F	ZINC001346764011	936860807	/nfs/dbraw/zinc/86/08/07/936860807.db2.gz	NEMNRWTWHROAQJ-GFCCVEGCSA-N	-1	0	276.286	3.427	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O	ZINC001352110699	937036719	/nfs/dbraw/zinc/03/67/19/937036719.db2.gz	QTJMLQMQJSKCIZ-LBPRGKRZSA-N	-1	0	260.724	3.010	20	30		CGEDRM
C=C[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1	ZINC001447557590	937369549	/nfs/dbraw/zinc/36/95/49/937369549.db2.gz	MVSLYLIFFQSGAG-MRXNPFEDSA-N	-1	0	285.318	3.343	20	30		CGEDRM
C=CC[C@H]1CCN(C(=O)c2ccc(Cl)c([O-])c2)C1	ZINC001453966536	937406319	/nfs/dbraw/zinc/40/63/19/937406319.db2.gz	PWMCLEJFSFQJBE-JTQLQIEISA-N	-1	0	265.740	3.084	20	30		CGEDRM
N#Cc1cc(F)cc(NC(=O)c2ccc(Cl)c([O-])c2)c1	ZINC001454719044	937411373	/nfs/dbraw/zinc/41/13/73/937411373.db2.gz	MRRNAKGXEWLXJT-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228898629	932047973	/nfs/dbraw/zinc/04/79/73/932047973.db2.gz	KHTIZINEKUJSNK-CYBMUJFWSA-N	-1	0	254.289	3.189	20	30		CGEDRM
C=CCC[C@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973854	932062936	/nfs/dbraw/zinc/06/29/36/932062936.db2.gz	OEXKZUJWROGJIV-JTQLQIEISA-N	-1	0	267.281	3.130	20	30		CGEDRM
CCC1=C(Oc2ccc([S-])cc2C)C(=O)[C@@H](C)O1	ZINC001229635230	932182020	/nfs/dbraw/zinc/18/20/20/932182020.db2.gz	UADKDWQLEUGBPS-SECBINFHSA-N	-1	0	264.346	3.272	20	30		CGEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074951	932673340	/nfs/dbraw/zinc/67/33/40/932673340.db2.gz	UBWLSXJIIUBVTM-JTQLQIEISA-N	-1	0	274.295	3.045	20	30		CGEDRM
CCCCC[C@](C)(CC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001469561826	937740518	/nfs/dbraw/zinc/74/05/18/937740518.db2.gz	ZUXUJDKYOZAESG-HNNXBMFYSA-N	-1	0	287.367	3.088	20	30		CGEDRM
C[C@H]1CC[C@@](C)(C(=O)[N-]Oc2cccc(C#N)c2)C1(C)C	ZINC001471086088	937761600	/nfs/dbraw/zinc/76/16/00/937761600.db2.gz	SPNPDCIEANHMCI-SJCJKPOMSA-N	-1	0	286.375	3.431	20	30		CGEDRM
C=CC[C@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C(=O)[O-]	ZINC001327013857	935021837	/nfs/dbraw/zinc/02/18/37/935021837.db2.gz	OSSVJYYZIAVGFX-RUXDESIVSA-N	-1	0	295.423	3.375	20	30		CGEDRM
N#CC(=C([O-])C=C1CCC1)c1nc(C2CC2)cs1	ZINC001518390623	938015218	/nfs/dbraw/zinc/01/52/18/938015218.db2.gz	ZYPPCFIWEINSGD-LLVKDONJSA-N	-1	0	258.346	3.307	20	30		CGEDRM
N#CC(=C([O-])c1cnc(C2CC2)s1)c1cccc(F)n1	ZINC001524705144	938044908	/nfs/dbraw/zinc/04/49/08/938044908.db2.gz	NYPPVSMSTFCFQT-SECBINFHSA-N	-1	0	287.319	3.045	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2ccccc2C(F)F)cc1[O-]	ZINC001557127536	938207925	/nfs/dbraw/zinc/20/79/25/938207925.db2.gz	QGFARVOFOQGBHW-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
C[C@]1(C(=O)[N-]Oc2cccc(C#N)c2)C[C@@H]1c1ccccc1	ZINC001557923259	938212465	/nfs/dbraw/zinc/21/24/65/938212465.db2.gz	XYZNTLIXGOJQNS-AEFFLSMTSA-N	-1	0	292.338	3.162	20	30		CGEDRM
C=CC[C@@H](c1nc(C2(C(=O)[O-])CCC2)no1)c1ccccc1	ZINC001602718160	971372332	/nfs/dbraw/zinc/37/23/32/971372332.db2.gz	DXCOHJZLZRGKIT-CYBMUJFWSA-N	-1	0	298.342	3.284	20	30		CGEDRM
C=CCC1(c2nc(C3(C(=O)[O-])CCC3)no2)CCCCC1	ZINC001602718086	971372371	/nfs/dbraw/zinc/37/23/71/971372371.db2.gz	CZHKBAYDNRNNFT-UHFFFAOYSA-N	-1	0	290.363	3.354	20	30		CGEDRM
CCCCCCCCC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC000104418369	949211198	/nfs/dbraw/zinc/21/11/98/949211198.db2.gz	BIYBCIXXQLJCNR-UHFFFAOYSA-N	-1	0	278.352	3.469	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC000109048508	949215536	/nfs/dbraw/zinc/21/55/36/949215536.db2.gz	NRWMBACRCMQGEE-INIZCTEOSA-N	-1	0	283.412	3.450	20	30		CGEDRM
CC[C@H](Sc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000162512651	949393722	/nfs/dbraw/zinc/39/37/22/949393722.db2.gz	HSCUAXPFJGRGOJ-VIFPVBQESA-N	-1	0	255.726	3.167	20	30		CGEDRM
C=CCCN(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000381653271	971767914	/nfs/dbraw/zinc/76/79/14/971767914.db2.gz	KHAXVVFJLLOSTI-UHFFFAOYSA-N	-1	0	282.727	3.078	20	30		CGEDRM
N#Cc1nc(Oc2cc(C(=O)[O-])ccc2F)sc1Cl	ZINC001594635753	956370254	/nfs/dbraw/zinc/37/02/54/956370254.db2.gz	TUASSQYRDNBANC-UHFFFAOYSA-N	-1	0	298.682	3.298	20	30		CGEDRM
C=C(CC)COc1cc(/C=C/C(=O)[O-])ccc1OC	ZINC000097208200	958347200	/nfs/dbraw/zinc/34/72/00/958347200.db2.gz	OXYJHQQLGCROLT-SOFGYWHQSA-N	-1	0	262.305	3.138	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000109047772	958376743	/nfs/dbraw/zinc/37/67/43/958376743.db2.gz	JSKSEDPNKRHWRR-INIZCTEOSA-N	-1	0	283.412	3.450	20	30		CGEDRM
CCCCCCCCNC(=O)c1ccc(C(=O)[O-])o1	ZINC000147288746	958998081	/nfs/dbraw/zinc/99/80/81/958998081.db2.gz	CLQXGCLIVQJHNP-UHFFFAOYSA-N	-1	0	267.325	3.068	20	30		CGEDRM
C=CCCCCN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC001602869365	960551654	/nfs/dbraw/zinc/55/16/54/960551654.db2.gz	CIBMFEJJWOCUBA-CYBMUJFWSA-N	-1	0	259.349	3.421	20	30		CGEDRM
CCCCCCCCCC(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001573841069	962287013	/nfs/dbraw/zinc/28/70/13/962287013.db2.gz	PJWNDGKZFAUOME-UHFFFAOYSA-N	-1	0	281.356	3.187	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1Cl	ZINC001573336424	962858341	/nfs/dbraw/zinc/85/83/41/962858341.db2.gz	CAQFCFHVEZEQCD-SECBINFHSA-N	-1	0	299.729	3.077	20	30		CGEDRM
C=C1CN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1	ZINC001573345176	962928456	/nfs/dbraw/zinc/92/84/56/962928456.db2.gz	KASOERAUYKVCAV-UHFFFAOYSA-N	-1	0	288.328	3.003	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-]	ZINC001573346875	962944264	/nfs/dbraw/zinc/94/42/64/962944264.db2.gz	HHTNMUFYCKXDBP-WBMJQRKESA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)C(=O)[O-]	ZINC001573356135	963006432	/nfs/dbraw/zinc/00/64/32/963006432.db2.gz	AFVFCZUPIAHPPP-KKUMJFAQSA-N	-1	0	293.407	3.129	20	30		CGEDRM
C=CCCCCCCNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001573366702	963061114	/nfs/dbraw/zinc/06/11/14/963061114.db2.gz	OOIATLHQMQZVRP-UHFFFAOYSA-N	-1	0	289.375	3.180	20	30		CGEDRM
C=CCCCCC[C@H](C)Nc1cnn(CC(=O)[O-])c1C	ZINC001573367674	963068478	/nfs/dbraw/zinc/06/84/78/963068478.db2.gz	ZPTMYRVZJQBNHE-LBPRGKRZSA-N	-1	0	279.384	3.213	20	30		CGEDRM
C=C[C@@H](Sc1ncc(C(C)C)n1C1CC1)C(=O)[O-]	ZINC001588714959	963116408	/nfs/dbraw/zinc/11/64/08/963116408.db2.gz	QJZFSMKMSGXUDD-LLVKDONJSA-N	-1	0	266.366	3.073	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC001588444672	963268119	/nfs/dbraw/zinc/26/81/19/963268119.db2.gz	NGSXJHXDGOCABH-ZDUSSCGKSA-N	-1	0	288.347	3.048	20	30		CGEDRM
C#CC[C@@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)C	ZINC001588428610	963270329	/nfs/dbraw/zinc/27/03/29/963270329.db2.gz	UWINCNCIIRLDJA-CYBMUJFWSA-N	-1	0	294.734	3.243	20	30		CGEDRM
C#CCOc1cccc(N[C@H](C(=O)[O-])c2ccccc2C)c1	ZINC001588504048	963274779	/nfs/dbraw/zinc/27/47/79/963274779.db2.gz	FIOGSLXLUGCXSE-KRWDZBQOSA-N	-1	0	295.338	3.245	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC001588536890	963285584	/nfs/dbraw/zinc/28/55/84/963285584.db2.gz	VITHARBDPRMYTP-SNVBAGLBSA-N	-1	0	280.320	3.186	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	ZINC001588630629	963291283	/nfs/dbraw/zinc/29/12/83/963291283.db2.gz	ULOSTMIROGVQPL-BDJLRTHQSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)cc(C)c1OC	ZINC001588629825	963292415	/nfs/dbraw/zinc/29/24/15/963292415.db2.gz	VTKQPTHCZWDKRJ-UHFFFAOYSA-N	-1	0	297.738	3.017	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C)C2(CCCCC2)C1	ZINC001588613945	963294195	/nfs/dbraw/zinc/29/41/95/963294195.db2.gz	HPZWDFAIXKRDPM-CQSZACIVSA-N	-1	0	293.407	3.226	20	30		CGEDRM
C=C[C@@H](Nc1ccccc1COC(C)(C)CC)C(=O)[O-]	ZINC001588701970	963304189	/nfs/dbraw/zinc/30/41/89/963304189.db2.gz	FFILLPFYCQMGQX-CYBMUJFWSA-N	-1	0	277.364	3.443	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC001588789275	963313452	/nfs/dbraw/zinc/31/34/52/963313452.db2.gz	AHXVRCSTHMPDCI-AWEZNQCLSA-N	-1	0	293.407	3.439	20	30		CGEDRM
C=CCCOCC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC001588810271	963320554	/nfs/dbraw/zinc/32/05/54/963320554.db2.gz	GXEJQALJVYTCCY-UHFFFAOYSA-N	-1	0	291.347	3.039	20	30		CGEDRM
C=CCCCCCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588798896	963321431	/nfs/dbraw/zinc/32/14/31/963321431.db2.gz	UORHPHXXRITPDV-LUAWRHEFSA-N	-1	0	291.347	3.244	20	30		CGEDRM
C=CCCCCNC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588802770	963323294	/nfs/dbraw/zinc/32/32/94/963323294.db2.gz	YQCFKKGXAZEYFU-UHFFFAOYSA-N	-1	0	276.336	3.171	20	30		CGEDRM
C=CCOc1ccc(O[C@H](C)c2nc(C(=O)[O-])co2)cc1	ZINC001588872966	963325180	/nfs/dbraw/zinc/32/51/80/963325180.db2.gz	WNDIYFXNMYTUBR-SNVBAGLBSA-N	-1	0	289.287	3.078	20	30		CGEDRM
N#Cc1sc(NCCCCCCC(=O)[O-])nc1Cl	ZINC000310973987	963450224	/nfs/dbraw/zinc/45/02/24/963450224.db2.gz	CVJHKJHWIQPROL-UHFFFAOYSA-N	-1	0	287.772	3.115	20	30		CGEDRM
Cc1cc(C#N)cc(N[C@H](C)c2ncc(C(=O)[O-])s2)c1	ZINC000314979169	963838225	/nfs/dbraw/zinc/83/82/25/963838225.db2.gz	ORQHKNVAWCXJNE-SECBINFHSA-N	-1	0	287.344	3.195	20	30		CGEDRM
CCCCCCCCC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001589645326	964013868	/nfs/dbraw/zinc/01/38/68/964013868.db2.gz	WQCWLERUWNYYER-CHWSQXEVSA-N	-1	0	269.385	3.201	20	30		CGEDRM
N#Cc1nc(Nc2cccc(CC(=O)[O-])c2)sc1Cl	ZINC001605626285	973954707	/nfs/dbraw/zinc/95/47/07/973954707.db2.gz	IAWDZMZBRXSMTH-UHFFFAOYSA-N	-1	0	293.735	3.039	20	30		CGEDRM
CCC[C@H](CC)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595586189	981529967	/nfs/dbraw/zinc/52/99/67/981529967.db2.gz	RIDCISYKJMIWJD-GXTWGEPZSA-N	-1	0	289.331	3.053	20	30		CGEDRM
CCCC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001595631299	981836600	/nfs/dbraw/zinc/83/66/00/981836600.db2.gz	KBFPEEKWELNXFP-FZMZJTMJSA-N	-1	0	289.331	3.053	20	30		CGEDRM
COc1ccsc1C=NNc1ccc(C)c(C(=O)[O-])c1	ZINC001599722425	991562061	/nfs/dbraw/zinc/56/20/61/991562061.db2.gz	JVFYSKCIXVUQIS-UHFFFAOYSA-N	-1	0	290.344	3.209	20	30		CGEDRM
CCS[C@@H]1CCC[C@@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000590583943	346852601	/nfs/dbraw/zinc/85/26/01/346852601.db2.gz	JAFLRMYONFMWHV-IONNQARKSA-N	-1	0	287.841	3.176	20	30		CGEDRM
CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000329101651	529412954	/nfs/dbraw/zinc/41/29/54/529412954.db2.gz	NCUHIEXJBUUFTB-XHDPSFHLSA-N	-1	0	286.335	3.202	20	30		CGEDRM
N#CCCOc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000592968965	347022326	/nfs/dbraw/zinc/02/23/26/347022326.db2.gz	XKHSQKYQTDEMCQ-UHFFFAOYSA-N	-1	0	267.284	3.344	20	30		CGEDRM
N#CC(=C([O-])c1ccco1)c1ccc2ccccc2n1	ZINC000039208922	344958917	/nfs/dbraw/zinc/95/89/17/344958917.db2.gz	RVOGNZKWTDSHSN-LBPRGKRZSA-N	-1	0	262.268	3.318	20	30		CGEDRM
C[C@]1(C#N)CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC000598416411	347657212	/nfs/dbraw/zinc/65/72/12/347657212.db2.gz	BKANFPVFPSTPMS-CYBMUJFWSA-N	-1	0	299.157	3.075	20	30		CGEDRM
C[C@@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c2C1	ZINC000601950020	347928762	/nfs/dbraw/zinc/92/87/62/347928762.db2.gz	SKZUTYZLFMFEAU-BXKDBHETSA-N	-1	0	287.750	3.350	20	30		CGEDRM
Cc1[n-]n(C2CCC(C)(C)CC2)c(=O)c1CCC#N	ZINC000601955150	347929233	/nfs/dbraw/zinc/92/92/33/347929233.db2.gz	TWRQRFPWEHAXHK-ZDUSSCGKSA-N	-1	0	261.369	3.093	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCCC3)cc1	ZINC000601933446	347925879	/nfs/dbraw/zinc/92/58/79/347925879.db2.gz	ZAOMAGQSKQWADA-AWEZNQCLSA-N	-1	0	267.332	3.231	20	30		CGEDRM
N#Cc1c(F)cccc1/C=C/c1ncc(C(=O)[O-])s1	ZINC000357169721	232909465	/nfs/dbraw/zinc/90/94/65/232909465.db2.gz	KSTVBKSRMLMMOR-SNAWJCMRSA-N	-1	0	274.276	3.022	20	30		CGEDRM
C[C@@H](N=c1nc(-c2ccccc2)o[n-]1)c1cccc(C#N)c1	ZINC000613855273	348635877	/nfs/dbraw/zinc/63/58/77/348635877.db2.gz	DZHOQLDSWHBFGE-GFCCVEGCSA-N	-1	0	290.326	3.203	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000617781363	349010591	/nfs/dbraw/zinc/01/05/91/349010591.db2.gz	KXBZMYORYPIYMP-SECBINFHSA-N	-1	0	299.292	3.238	20	30		CGEDRM
CC(C)(C)c1n[n-]c(=N[C@H]2CCc3cc(C#N)ccc32)s1	ZINC000618693633	349145513	/nfs/dbraw/zinc/14/55/13/349145513.db2.gz	LEZIIFJLOBAKGD-ZDUSSCGKSA-N	-1	0	298.415	3.229	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1cc(CCC)c(C)s1)C(=O)[O-]	ZINC000630318854	350823541	/nfs/dbraw/zinc/82/35/41/350823541.db2.gz	NDBIGZWSLFDFCD-LBPRGKRZSA-N	-1	0	295.404	3.158	20	30		CGEDRM
C=C1CC(C)(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)C1	ZINC000633423679	351302327	/nfs/dbraw/zinc/30/23/27/351302327.db2.gz	UJNSMDZTIJXVBV-UHFFFAOYSA-N	-1	0	285.347	3.003	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634927597	351605034	/nfs/dbraw/zinc/60/50/34/351605034.db2.gz	UAELNMVPJMEUDR-WWGRRREGSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000158366998	188372670	/nfs/dbraw/zinc/37/26/70/188372670.db2.gz	HCBFZNHQPYRZFL-SECBINFHSA-N	-1	0	292.360	3.036	20	30		CGEDRM
C=CCN(CC=C)C(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000035055647	368995268	/nfs/dbraw/zinc/99/52/68/368995268.db2.gz	YAPQQJFQJDVPJV-UHFFFAOYSA-N	-1	0	279.380	3.002	20	30		CGEDRM
Oc1ccc2ccccc2c1/C=N/CCCO[C@@H]1CCOC1	ZINC000129354091	370983103	/nfs/dbraw/zinc/98/31/03/370983103.db2.gz	OJTHAPFQLXDOKG-IYSPOMMRSA-N	-1	0	299.370	3.160	20	30		CGEDRM
C=CCN(C(=O)c1cnc2ccc(C)cc2c1O)C1CC1	ZINC000288558879	371742261	/nfs/dbraw/zinc/74/22/61/371742261.db2.gz	WCBBFEWIVIQAQY-UHFFFAOYSA-N	-1	0	282.343	3.039	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1Cl	ZINC000168793533	372619400	/nfs/dbraw/zinc/61/94/00/372619400.db2.gz	DJNWSMSDKAPQQD-UHFFFAOYSA-N	-1	0	298.776	3.074	20	30		CGEDRM
CC(C)(CCNc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000302608572	373905703	/nfs/dbraw/zinc/90/57/03/373905703.db2.gz	XREIWMOEOOQTON-UHFFFAOYSA-N	-1	0	266.728	3.124	20	30		CGEDRM
CC(C)c1nocc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000528927924	375915566	/nfs/dbraw/zinc/91/55/66/375915566.db2.gz	MAWQZTRMVZOXJM-JTQLQIEISA-N	-1	0	295.298	3.429	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274506191	378844353	/nfs/dbraw/zinc/84/43/53/378844353.db2.gz	AOYXTAVHANLWOJ-UHFFFAOYSA-N	-1	0	269.703	3.317	20	30		CGEDRM
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccoc2)c1	ZINC000349944422	379454451	/nfs/dbraw/zinc/45/44/51/379454451.db2.gz	FTVBKIVUIKYKTF-UHFFFAOYSA-N	-1	0	293.344	3.035	20	30		CGEDRM
N#Cc1ccc2c(c1)CCC[C@H]2N=c1[n-]nc(C2CC2)s1	ZINC000419011599	380762929	/nfs/dbraw/zinc/76/29/29/380762929.db2.gz	BBKLRBCWIWFJAG-CQSZACIVSA-N	-1	0	296.399	3.199	20	30		CGEDRM
CC(C)n1nccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000361871819	381873731	/nfs/dbraw/zinc/87/37/31/381873731.db2.gz	BSOAVINUKAZZTC-LLVKDONJSA-N	-1	0	294.314	3.095	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000263161117	131284194	/nfs/dbraw/zinc/28/41/94/131284194.db2.gz	YRVPMBRZSMCWIE-NSHDSACASA-N	-1	0	291.347	3.072	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)o1	ZINC000345556608	393060393	/nfs/dbraw/zinc/06/03/93/393060393.db2.gz	FWOWUZIWPQRPAA-SNVBAGLBSA-N	-1	0	289.360	3.361	20	30		CGEDRM
CC(C)(C)CC[C@@H](Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000416444815	393312611	/nfs/dbraw/zinc/31/26/11/393312611.db2.gz	ZSJSUKCMIQOWHI-CYBMUJFWSA-N	-1	0	260.337	3.250	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)oc(C)c2C)n1	ZINC000041516534	397611600	/nfs/dbraw/zinc/61/16/00/397611600.db2.gz	RNRDIVIYSFJYOS-NSHDSACASA-N	-1	0	274.345	3.460	20	30		CGEDRM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000334655060	225259133	/nfs/dbraw/zinc/25/91/33/225259133.db2.gz	LWNFMIVHFIOYSS-QTTZVWFDSA-N	-1	0	285.130	3.187	20	30		CGEDRM
CCCCCCCCCC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736984343	572832181	/nfs/dbraw/zinc/83/21/81/572832181.db2.gz	XIIQEHOLTLNNMD-AWEZNQCLSA-N	-1	0	298.427	3.386	20	30		CGEDRM
C=C(C)C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl	ZINC000652430434	418967180	/nfs/dbraw/zinc/96/71/80/418967180.db2.gz	BQXXNNCMJIQFGC-UHFFFAOYSA-N	-1	0	253.729	3.046	20	30		CGEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000659165876	418963295	/nfs/dbraw/zinc/96/32/95/418963295.db2.gz	AVMDTKQIQQUOJO-STQMWFEESA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(Cl)c(C)c1)C(=O)[O-]	ZINC000653488732	419036624	/nfs/dbraw/zinc/03/66/24/419036624.db2.gz	JXYHCMOLGYPLMX-GFCCVEGCSA-N	-1	0	296.754	3.189	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C)C2)c1	ZINC000076759949	260166817	/nfs/dbraw/zinc/16/68/17/260166817.db2.gz	VCSQZFWIUWSRRP-YPMHNXCESA-N	-1	0	295.404	3.467	20	30		CGEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1C	ZINC000049513637	260662042	/nfs/dbraw/zinc/66/20/42/260662042.db2.gz	CXYDTGKQFHRKHJ-UHFFFAOYSA-N	-1	0	295.404	3.271	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1ccc(C(F)(F)F)cn1	ZINC000103329433	261280616	/nfs/dbraw/zinc/28/06/16/261280616.db2.gz	YPSQVCQPEVBRQF-MRVPVSSYSA-N	-1	0	297.261	3.047	20	30		CGEDRM
CCc1oc(C([O-])=C(C#N)c2nc(C)cs2)cc1C	ZINC000161160016	262311376	/nfs/dbraw/zinc/31/13/76/262311376.db2.gz	ZFGUPURTDFDMTI-JTQLQIEISA-N	-1	0	274.345	3.405	20	30		CGEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000058078321	262350277	/nfs/dbraw/zinc/35/02/77/262350277.db2.gz	XBFLPYCJXCDWSL-UHFFFAOYSA-N	-1	0	273.398	3.186	20	30		CGEDRM
C=C[C@@H](CC(=O)NC(CC)(CC)C(=O)[O-])c1ccccc1	ZINC000342579106	263450718	/nfs/dbraw/zinc/45/07/18/263450718.db2.gz	XBXAGBJOAKUNRI-ZDUSSCGKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
Cc1cnc(C(=O)Nc2ncc(C(C)C)s2)c([O-])c1	ZINC000330863904	264057093	/nfs/dbraw/zinc/05/70/93/264057093.db2.gz	BBHSZTLSNVSHNS-UHFFFAOYSA-N	-1	0	277.349	3.312	20	30		CGEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1nc2ccccc2o1	ZINC000041547859	269988444	/nfs/dbraw/zinc/98/84/44/269988444.db2.gz	RTWXXVQIRBIITQ-CYBMUJFWSA-N	-1	0	287.278	3.190	20	30		CGEDRM
CC(C)(C)CN(CCC#N)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000183575294	327763292	/nfs/dbraw/zinc/76/32/92/327763292.db2.gz	GSRBGMWNPBVHCH-UHFFFAOYSA-N	-1	0	296.317	3.072	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000398110629	329433781	/nfs/dbraw/zinc/43/37/81/329433781.db2.gz	YJCSUBQYLPROPT-TZMCWYRMSA-N	-1	0	296.411	3.064	20	30		CGEDRM
C=CCCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1	ZINC000263413740	330054847	/nfs/dbraw/zinc/05/48/47/330054847.db2.gz	NFLMCGJCJXRHQW-AWEZNQCLSA-N	-1	0	281.396	3.273	20	30		CGEDRM
CC(C)(CCC#N)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000436735349	330683860	/nfs/dbraw/zinc/68/38/60/330683860.db2.gz	COGRCCVFSXZVNO-UHFFFAOYSA-N	-1	0	280.755	3.105	20	30		CGEDRM
C=CCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCC1	ZINC000450540262	330985535	/nfs/dbraw/zinc/98/55/35/330985535.db2.gz	NEPUASLAOVCVNU-UHFFFAOYSA-N	-1	0	290.319	3.375	20	30		CGEDRM
C=CCN=c1[n-]nc(SCc2ccc(F)cc2F)s1	ZINC000464557271	331362502	/nfs/dbraw/zinc/36/25/02/331362502.db2.gz	MUUNQZCKDBONBG-UHFFFAOYSA-N	-1	0	299.371	3.128	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000468101974	331428651	/nfs/dbraw/zinc/42/86/51/331428651.db2.gz	LYIOTXPTIIBPIC-OAHLLOKOSA-N	-1	0	287.388	3.168	20	30		CGEDRM
C=CCCCCCNC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000576411493	335200827	/nfs/dbraw/zinc/20/08/27/335200827.db2.gz	FVKVXLBPNZVFPK-UHFFFAOYSA-N	-1	0	289.375	3.180	20	30		CGEDRM
CC#CCCCC(=O)Nc1cccc(Cl)c1[O-]	ZINC000184840851	519336170	/nfs/dbraw/zinc/33/61/70/519336170.db2.gz	IQLPUGQOYCNFKG-UHFFFAOYSA-N	-1	0	251.713	3.178	20	30		CGEDRM
C=C[C@@H](CC(=O)N[C@@](C)(CCC)C(=O)[O-])c1ccccc1	ZINC000190706974	534515168	/nfs/dbraw/zinc/51/51/68/534515168.db2.gz	YZTDMHNLEAGBAN-GUYCJALGSA-N	-1	0	289.375	3.106	20	30		CGEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2nc(C)cs2)cs1	ZINC000344646167	527207542	/nfs/dbraw/zinc/20/75/42/527207542.db2.gz	ZAAFYOHIJCBXLV-JTQLQIEISA-N	-1	0	290.369	3.206	20	30		CGEDRM
N#Cc1cnc(Nc2ccc(NC(=O)[O-])cc2)c(Cl)c1	ZINC000738435742	571748941	/nfs/dbraw/zinc/74/89/41/571748941.db2.gz	SIUZDPTYGTYMBD-UHFFFAOYSA-N	-1	0	288.694	3.440	20	30		CGEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000738493834	571804871	/nfs/dbraw/zinc/80/48/71/571804871.db2.gz	SREZLDDSQCPNMW-KGLIPLIRSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-]	ZINC000737693759	571935097	/nfs/dbraw/zinc/93/50/97/571935097.db2.gz	HFUUFLOJLXPBMR-LBPRGKRZSA-N	-1	0	296.326	3.022	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccsc2)cs1	ZINC000730148630	571951667	/nfs/dbraw/zinc/95/16/67/571951667.db2.gz	IKZPHENIYYBDMN-UPHRSURJSA-N	-1	0	264.327	3.404	20	30		CGEDRM
Cc1cc(C)cc([C@@H](C)/N=C/c2c(O)c(C)ncc2CO)c1	ZINC000730434288	572353237	/nfs/dbraw/zinc/35/32/37/572353237.db2.gz	IQPZBKXDYUCZMO-PCQWDSEFSA-N	-1	0	298.386	3.385	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)CC2	ZINC000738074238	572364339	/nfs/dbraw/zinc/36/43/39/572364339.db2.gz	PNLYCRAGDAXIRV-FLIBITNWSA-N	-1	0	298.294	3.199	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1ccoc1C(=O)[O-])CC2	ZINC000738074368	572364425	/nfs/dbraw/zinc/36/44/25/572364425.db2.gz	QWSFHVSLTGEMHL-DHZHZOJOSA-N	-1	0	298.294	3.199	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000730590697	572364668	/nfs/dbraw/zinc/36/46/68/572364668.db2.gz	SHWJZNUQDMOBTG-AATRIKPKSA-N	-1	0	283.308	3.214	20	30		CGEDRM
CCCCCCCC(=O)NC1CCC(NC(=O)[O-])CC1	ZINC000739332447	572368045	/nfs/dbraw/zinc/36/80/45/572368045.db2.gz	ULGJTYLCZLXAQO-UHFFFAOYSA-N	-1	0	284.400	3.042	20	30		CGEDRM
Cc1c(NCCOc2cccc(C#N)c2)cccc1C(=O)[O-]	ZINC000738305767	572370740	/nfs/dbraw/zinc/37/07/40/572370740.db2.gz	MYWMANVQKKBUNF-UHFFFAOYSA-N	-1	0	296.326	3.056	20	30		CGEDRM
Cc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C	ZINC000738682323	572387529	/nfs/dbraw/zinc/38/75/29/572387529.db2.gz	VWPWXYCSQZOYQI-VURMDHGXSA-N	-1	0	270.284	3.491	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1	ZINC000739330749	572410774	/nfs/dbraw/zinc/41/07/74/572410774.db2.gz	NZUNUJYNTDGFAV-UONOGXRCSA-N	-1	0	298.427	3.242	20	30		CGEDRM
N#CC1(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCCCC1	ZINC000740309445	572439709	/nfs/dbraw/zinc/43/97/09/572439709.db2.gz	HMGWXWLZVYCVMC-UHFFFAOYSA-N	-1	0	287.319	3.189	20	30		CGEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ccc2ccccc2n1	ZINC000740621024	572448930	/nfs/dbraw/zinc/44/89/30/572448930.db2.gz	VCOQDSPXGCREAZ-LBPRGKRZSA-N	-1	0	298.346	3.070	20	30		CGEDRM
Cc1ncsc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000742434802	572582389	/nfs/dbraw/zinc/58/23/89/572582389.db2.gz	NNZHMBVBHPJZQQ-NSCUHMNNSA-N	-1	0	279.342	3.107	20	30		CGEDRM
CS[C@@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000743043594	572635480	/nfs/dbraw/zinc/63/54/80/572635480.db2.gz	XKMKJBZXDQLJHF-PUNKOENLSA-N	-1	0	280.349	3.003	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CCC2CC2)c1[O-]	ZINC000743044940	572635542	/nfs/dbraw/zinc/63/55/42/572635542.db2.gz	UWWCFFJBLZCWCQ-AUWJEWJLSA-N	-1	0	268.700	3.173	20	30		CGEDRM
O=C([O-])c1ccc(NN=C2CCc3cc(F)ccc32)cc1	ZINC000734296988	572641957	/nfs/dbraw/zinc/64/19/57/572641957.db2.gz	XFUQEXPESHWZCF-UHFFFAOYSA-N	-1	0	284.290	3.286	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])co1)Cc1cccs1	ZINC000736108341	572767993	/nfs/dbraw/zinc/76/79/93/572767993.db2.gz	AGVWWSGRXQUSGN-UHFFFAOYSA-N	-1	0	277.345	3.228	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2cccc(C(F)(F)F)c2)[nH]1	ZINC000749806497	573039696	/nfs/dbraw/zinc/03/96/96/573039696.db2.gz	DFEUCMBWIFSPMA-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
O=[N+]([O-])c1ccccc1NN=Cc1cc(F)c([O-])c(F)c1	ZINC000749854108	573047168	/nfs/dbraw/zinc/04/71/68/573047168.db2.gz	YUJBYRHNYWIUES-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
O=C1c2ccccc2O/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000749892973	573052194	/nfs/dbraw/zinc/05/21/94/573052194.db2.gz	DBQIEBXOKDWTQX-QPEQYQDCSA-N	-1	0	274.222	3.287	20	30		CGEDRM
C=CCOc1ccccc1CNc1cccc(CC(=O)[O-])c1	ZINC000817685814	597137781	/nfs/dbraw/zinc/13/77/81/597137781.db2.gz	MGZJWDMQQXTVLN-UHFFFAOYSA-N	-1	0	297.354	3.491	20	30		CGEDRM
N#Cc1ccccc1SCc1cc(C(=O)[O-])co1	ZINC000833076389	600729610	/nfs/dbraw/zinc/72/96/10/600729610.db2.gz	DCEUASMTMUQGTG-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
C#CCOc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1	ZINC000825631721	600747593	/nfs/dbraw/zinc/74/75/93/600747593.db2.gz	KQWVVJWEAQWSOQ-INIZCTEOSA-N	-1	0	299.301	3.076	20	30		CGEDRM
Cc1nc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)oc1C	ZINC000738868158	600937447	/nfs/dbraw/zinc/93/74/47/600937447.db2.gz	AAIWQPQKVJZHKZ-LBPRGKRZSA-N	-1	0	288.328	3.081	20	30		CGEDRM
CC(C)c1ccc(CN(CC#N)CC(=O)[O-])c(C(C)C)c1	ZINC000827124528	601227370	/nfs/dbraw/zinc/22/73/70/601227370.db2.gz	OGLWHIQNSDMHAR-UHFFFAOYSA-N	-1	0	288.391	3.344	20	30		CGEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])cc1)C2	ZINC000176938560	601293974	/nfs/dbraw/zinc/29/39/74/601293974.db2.gz	MFJIPPSLDGSZFZ-ZSOIEALJSA-N	-1	0	294.306	3.216	20	30		CGEDRM
CCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000830084789	601297626	/nfs/dbraw/zinc/29/76/26/601297626.db2.gz	MLVDQRQJDQTKFE-INIZCTEOSA-N	-1	0	296.326	3.195	20	30		CGEDRM
Cc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C	ZINC000832949425	601297997	/nfs/dbraw/zinc/29/79/97/601297997.db2.gz	WINIDMHXNLOAQU-INIZCTEOSA-N	-1	0	280.327	3.413	20	30		CGEDRM
CCCCC[C@@H](Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000829348473	601383586	/nfs/dbraw/zinc/38/35/86/601383586.db2.gz	RSCGAHYNWZMLOP-LLVKDONJSA-N	-1	0	281.743	3.052	20	30		CGEDRM
O=C([O-])c1ccc(C=NNCc2cccc(Cl)c2)cc1	ZINC000756827278	601626560	/nfs/dbraw/zinc/62/65/60/601626560.db2.gz	LXQLZUXVJGGHPT-UHFFFAOYSA-N	-1	0	288.734	3.162	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2cc(C(=O)[O-])sc2C)c1	ZINC000825636473	601628399	/nfs/dbraw/zinc/62/83/99/601628399.db2.gz	LAZAKXQAPGHQEP-UHFFFAOYSA-N	-1	0	285.368	3.372	20	30		CGEDRM
O=C([O-])c1cc(/C=C2/CCCc3ccccc3C2=O)c[nH]1	ZINC000833298031	601791444	/nfs/dbraw/zinc/79/14/44/601791444.db2.gz	MKHROBAMWHXYDP-JYRVWZFOSA-N	-1	0	281.311	3.316	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)s1	ZINC000830229123	601791821	/nfs/dbraw/zinc/79/18/21/601791821.db2.gz	LDPOQVIIIYVOAS-HYXAFXHYSA-N	-1	0	275.329	3.233	20	30		CGEDRM
O=C([O-])c1cc(/C=C\C(=O)c2c[nH]c3ccccc23)c[nH]1	ZINC000833297397	601792543	/nfs/dbraw/zinc/79/25/43/601792543.db2.gz	FXSFLQBKVNBOHE-WAYWQWQTSA-N	-1	0	280.283	3.090	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2cccc(C(F)(F)F)c2)c[nH]1	ZINC000814690063	601794852	/nfs/dbraw/zinc/79/48/52/601794852.db2.gz	SCCOUPOXROFXGI-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2cccc3ccccc32)c[nH]1	ZINC000814822915	601797121	/nfs/dbraw/zinc/79/71/21/601797121.db2.gz	JIWZHABDJJHBLZ-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
COc1cccc2c1C/C(=C\c1ccc(C(=O)[O-])cc1)C2=O	ZINC000759663062	601850724	/nfs/dbraw/zinc/85/07/24/601850724.db2.gz	ASDUJSRVOYKPHG-UKTHLTGXSA-N	-1	0	294.306	3.216	20	30		CGEDRM
N#Cc1ccc(OCc2ccsc2C(=O)[O-])cc1F	ZINC000133944687	601894895	/nfs/dbraw/zinc/89/48/95/601894895.db2.gz	BAUQRYJOWXYMRJ-UHFFFAOYSA-N	-1	0	277.276	3.036	20	30		CGEDRM
CC(C)(C#N)CCCNc1cccc(F)c1C(=O)[O-]	ZINC000826071962	601908221	/nfs/dbraw/zinc/90/82/21/601908221.db2.gz	QDSZMPDQLCLWBX-UHFFFAOYSA-N	-1	0	264.300	3.266	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000776630304	602082284	/nfs/dbraw/zinc/08/22/84/602082284.db2.gz	HLGUTFQTBPNNDP-UHFFFAOYSA-N	-1	0	277.295	3.231	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCc1cc(F)ccc1C#N	ZINC000069401037	602313171	/nfs/dbraw/zinc/31/31/71/602313171.db2.gz	HZVSYMMRBHRLIR-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
O=C(C=Cc1cnn(CC2CCC2)c1)c1sccc1[O-]	ZINC000899366163	620674200	/nfs/dbraw/zinc/67/42/00/620674200.db2.gz	HPYMUOFSKORHHQ-SNAWJCMRSA-N	-1	0	288.372	3.346	20	30		CGEDRM
CC(=O)c1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1	ZINC000833403386	604546543	/nfs/dbraw/zinc/54/65/43/604546543.db2.gz	JKWIIXVOHRBGDT-UHFFFAOYSA-N	-1	0	295.294	3.038	20	30		CGEDRM
COc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000832545226	604629990	/nfs/dbraw/zinc/62/99/90/604629990.db2.gz	ALHQICHVUYDWQH-BJMVGYQFSA-N	-1	0	282.295	3.290	20	30		CGEDRM
C=CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1	ZINC000763369780	604668517	/nfs/dbraw/zinc/66/85/17/604668517.db2.gz	XFQLOQRXVNXVAM-UHFFFAOYSA-N	-1	0	299.305	3.311	20	30		CGEDRM
C#Cc1cccc(Nc2nc(CC)c(C(=O)[O-])s2)c1	ZINC000833367671	604923228	/nfs/dbraw/zinc/92/32/28/604923228.db2.gz	QRCRABSYABVQNF-UHFFFAOYSA-N	-1	0	272.329	3.129	20	30		CGEDRM
C[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21	ZINC000828410388	604961681	/nfs/dbraw/zinc/96/16/81/604961681.db2.gz	AXCAOYASADYQQR-SJCJKPOMSA-N	-1	0	292.338	3.308	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C1CC1	ZINC000162386086	604973386	/nfs/dbraw/zinc/97/33/86/604973386.db2.gz	CBFMASDTALNRAX-UHFFFAOYSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=CCCC[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833374063	605021774	/nfs/dbraw/zinc/02/17/74/605021774.db2.gz	PRHZYFJACORLOA-YNEHKIRRSA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000398102367	605057009	/nfs/dbraw/zinc/05/70/09/605057009.db2.gz	UASKYBDUMNCYIO-JTQLQIEISA-N	-1	0	294.326	3.390	20	30		CGEDRM
C=CCC[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)C1CC1	ZINC000833372909	605119226	/nfs/dbraw/zinc/11/92/26/605119226.db2.gz	ANIMTQWUQMBTSG-RUXDESIVSA-N	-1	0	280.364	3.165	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000040547108	605132069	/nfs/dbraw/zinc/13/20/69/605132069.db2.gz	FTIYSORKOYYVMM-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
CC(N=Nc1cc(Cl)ccn1)c1ccc(C(=O)[O-])cc1	ZINC000777905128	605287137	/nfs/dbraw/zinc/28/71/37/605287137.db2.gz	BLSWUGTVPQPWBJ-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
C[C@]1(C#N)CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1	ZINC000833552005	605417242	/nfs/dbraw/zinc/41/72/42/605417242.db2.gz	XZLTUMJPXNUNMJ-DZGCQCFKSA-N	-1	0	292.766	3.091	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501606	617611389	/nfs/dbraw/zinc/61/13/89/617611389.db2.gz	BHOUIBDGOSPUPD-UHFFFAOYSA-N	-1	0	279.361	3.060	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(C#N)s2)c([O-])c1	ZINC000255009357	617737515	/nfs/dbraw/zinc/73/75/15/617737515.db2.gz	JNAOXRGUCDZCFY-ALCCZGGFSA-N	-1	0	285.324	3.230	20	30		CGEDRM
O=C(/C=C\c1cccc(O)c1)c1cc(F)ccc1[O-]	ZINC000255030515	617758117	/nfs/dbraw/zinc/75/81/17/617758117.db2.gz	LNZPDXDWTTZXHI-XQRVVYSFSA-N	-1	0	258.248	3.133	20	30		CGEDRM
COCC(C)(C)C(=O)N(O)Cc1cccc2ccccc21	ZINC000900093915	620760903	/nfs/dbraw/zinc/76/09/03/620760903.db2.gz	BOFZNMLFJOPHBT-UHFFFAOYSA-N	-1	0	287.359	3.230	20	30		CGEDRM
O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1	ZINC000255373238	618242474	/nfs/dbraw/zinc/24/24/74/618242474.db2.gz	ARTXEBLJZVAKSC-XQRVVYSFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(F)cc2[O-])c1	ZINC000255427120	618448881	/nfs/dbraw/zinc/44/88/81/618448881.db2.gz	QOMVIOATQLFQIH-RQOWECAXSA-N	-1	0	273.288	3.361	20	30		CGEDRM
CC(=O)c1cc(F)cc(CN(CCC#N)CC(C)C)c1O	ZINC000050142649	618650822	/nfs/dbraw/zinc/65/08/22/618650822.db2.gz	LLRVIHUESKFWRE-UHFFFAOYSA-N	-1	0	292.354	3.106	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccccc2Cl)c1	ZINC000176819663	618740341	/nfs/dbraw/zinc/74/03/41/618740341.db2.gz	CVKIFMQHIHGQDY-UHFFFAOYSA-N	-1	0	272.691	3.170	20	30		CGEDRM
CCCCS[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176823393	618741874	/nfs/dbraw/zinc/74/18/74/618741874.db2.gz	FJXYIFMBCCUCOC-JTQLQIEISA-N	-1	0	278.377	3.124	20	30		CGEDRM
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1	ZINC000255659538	618773135	/nfs/dbraw/zinc/77/31/35/618773135.db2.gz	CMOCGDKCPOFHCB-IWQZZHSRSA-N	-1	0	293.275	3.397	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1C#N	ZINC000255865357	618811118	/nfs/dbraw/zinc/81/11/18/618811118.db2.gz	WBLKHSZATHTNAY-KXFIGUGUSA-N	-1	0	297.285	3.308	20	30		CGEDRM
O=C(C=Cc1ccccc1[N+](=O)[O-])c1sccc1[O-]	ZINC000184516822	619052920	/nfs/dbraw/zinc/05/29/20/619052920.db2.gz	ACRZOMIYKOLNIU-AATRIKPKSA-N	-1	0	275.285	3.258	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000232925150	619294053	/nfs/dbraw/zinc/29/40/53/619294053.db2.gz	YKYMOVGMNLUZOQ-TZMCWYRMSA-N	-1	0	269.385	3.059	20	30		CGEDRM
COc1cccc(NN=C(C)c2cc(C(=O)[O-])cs2)c1	ZINC000814778473	619422946	/nfs/dbraw/zinc/42/29/46/619422946.db2.gz	HHMAKYUGRUIJAB-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2Cl)nc1	ZINC000814831681	619425112	/nfs/dbraw/zinc/42/51/12/619425112.db2.gz	MTAOLDLHJFJTOU-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CCC(C)C)c1	ZINC000048505769	619501597	/nfs/dbraw/zinc/50/15/97/619501597.db2.gz	IVHOLQGFCRSHJR-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519124	619503530	/nfs/dbraw/zinc/50/35/30/619503530.db2.gz	VSLYMMDIAHEFEE-UHFFFAOYSA-N	-1	0	299.367	3.441	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)c1	ZINC000049135057	619702039	/nfs/dbraw/zinc/70/20/39/619702039.db2.gz	HWUKYRZCFUZSDZ-GFCCVEGCSA-N	-1	0	295.404	3.385	20	30		CGEDRM
N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2o1	ZINC000179008543	619735521	/nfs/dbraw/zinc/73/55/21/619735521.db2.gz	PUJZITVCNWTLQW-SBDDDAINSA-N	-1	0	289.294	3.112	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000909511811	619792486	/nfs/dbraw/zinc/79/24/86/619792486.db2.gz	XOZGXEWZMBFJQK-MRXNPFEDSA-N	-1	0	275.348	3.245	20	30		CGEDRM
C=C(C)C[C@@H](NCc1cccc(Cl)c1[O-])C(=O)OCC	ZINC000895598272	619856350	/nfs/dbraw/zinc/85/63/50/619856350.db2.gz	QANSWRXGAASRIJ-CYBMUJFWSA-N	-1	0	297.782	3.033	20	30		CGEDRM
CC(C[C@H]1CCOC1)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000751517749	620187997	/nfs/dbraw/zinc/18/79/97/620187997.db2.gz	VKSNIOBRKQZLHU-SNVBAGLBSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(C)c(C)o1	ZINC000799873724	620306122	/nfs/dbraw/zinc/30/61/22/620306122.db2.gz	WIOOLTVPHFOVPQ-UHFFFAOYSA-N	-1	0	272.304	3.431	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)c1	ZINC000073086886	625430088	/nfs/dbraw/zinc/43/00/88/625430088.db2.gz	ZPCDGSQKROMMRL-LBPRGKRZSA-N	-1	0	283.393	3.241	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCCc3cccnc32)c1	ZINC000899227746	620627312	/nfs/dbraw/zinc/62/73/12/620627312.db2.gz	RANDRYBMKOASTA-XKYMITNMSA-N	-1	0	297.314	3.192	20	30		CGEDRM
COC(=O)C[C@H](C)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000899233208	620629405	/nfs/dbraw/zinc/62/94/05/620629405.db2.gz	DZMVBOWNQOZRRV-VQIYEXGWSA-N	-1	0	290.146	3.070	20	30		CGEDRM
CS[C@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000901261725	620849362	/nfs/dbraw/zinc/84/93/62/620849362.db2.gz	MZLLHUSIHKBRJB-AWEZNQCLSA-N	-1	0	292.404	3.387	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2C[C@H]3CCC[C@H]3C2)cc1	ZINC000905485641	622081319	/nfs/dbraw/zinc/08/13/19/622081319.db2.gz	WFBOXIDJYVYCFS-BETUJISGSA-N	-1	0	272.348	3.292	20	30		CGEDRM
C=CC1(CC(=O)NC(C)(C)CCC(=O)[O-])CCCCC1	ZINC000907577090	622302334	/nfs/dbraw/zinc/30/23/34/622302334.db2.gz	OIHDWEIFYUBXCY-UHFFFAOYSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=CCC(CC=C)C(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908078780	622327999	/nfs/dbraw/zinc/32/79/99/622327999.db2.gz	CCRWIDNOGYMUDR-UHFFFAOYSA-N	-1	0	287.359	3.045	20	30		CGEDRM
C=CCCCN(CC)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000908221050	622334008	/nfs/dbraw/zinc/33/40/08/622334008.db2.gz	MZMINTOTBPBVLF-UHFFFAOYSA-N	-1	0	289.375	3.132	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909079674	622393997	/nfs/dbraw/zinc/39/39/97/622393997.db2.gz	VGHHUNPZSYUTKN-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CC(C)(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1	ZINC000909225985	622407487	/nfs/dbraw/zinc/40/74/87/622407487.db2.gz	RHXRLRDEGICDNM-UHFFFAOYSA-N	-1	0	293.388	3.155	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000909295672	622413719	/nfs/dbraw/zinc/41/37/19/622413719.db2.gz	HQXLPRCYZRWZEN-CQSZACIVSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C1CCC(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1	ZINC000909284101	622415519	/nfs/dbraw/zinc/41/55/19/622415519.db2.gz	FWSPYBNTYGBUEI-UHFFFAOYSA-N	-1	0	287.359	3.389	20	30		CGEDRM
COc1ccsc1C(C)=NNc1ccc(C(=O)[O-])cc1	ZINC000769766659	625574691	/nfs/dbraw/zinc/57/46/91/625574691.db2.gz	PNYOLMLTAUWNKT-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911683337	622543084	/nfs/dbraw/zinc/54/30/84/622543084.db2.gz	HSPYEFWNMVSMRA-UHFFFAOYSA-N	-1	0	279.311	3.373	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2)c1	ZINC000044545678	622813008	/nfs/dbraw/zinc/81/30/08/622813008.db2.gz	LEADYQOKYVCHRJ-MDZDMXLPSA-N	-1	0	252.269	3.281	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1	ZINC000156723313	622841136	/nfs/dbraw/zinc/84/11/36/622841136.db2.gz	WVKUPOIJIHFXRZ-VMPITWQZSA-N	-1	0	267.259	3.299	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2cc(Cl)ccc2O)cc1	ZINC000916240521	624123573	/nfs/dbraw/zinc/12/35/73/624123573.db2.gz	FEWWSCUESCAHJT-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920942666	624553943	/nfs/dbraw/zinc/55/39/43/624553943.db2.gz	ASRHRLVIZPDIAF-DHKMMEBQSA-N	-1	0	262.309	3.298	20	30		CGEDRM
COC(=O)c1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000184517656	625243060	/nfs/dbraw/zinc/24/30/60/625243060.db2.gz	VEIFVAJMEXZTCC-QPJJXVBHSA-N	-1	0	288.324	3.136	20	30		CGEDRM
COc1cccc(C=CC(=O)c2sccc2[O-])c1	ZINC000184516846	625243829	/nfs/dbraw/zinc/24/38/29/625243829.db2.gz	RHAJSXCJMFZEIV-AATRIKPKSA-N	-1	0	260.314	3.358	20	30		CGEDRM
COc1ccsc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000184770942	625270540	/nfs/dbraw/zinc/27/05/40/625270540.db2.gz	XGHWGGGJMRDYTH-QPJJXVBHSA-N	-1	0	288.324	3.351	20	30		CGEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000073087343	625872462	/nfs/dbraw/zinc/87/24/62/625872462.db2.gz	SSYYMDMVRRDLAG-VIFPVBQESA-N	-1	0	289.784	3.277	20	30		CGEDRM
CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000073837542	626069341	/nfs/dbraw/zinc/06/93/41/626069341.db2.gz	DGGPUYAIWANHEF-SNVBAGLBSA-N	-1	0	263.403	3.288	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1	ZINC000073837397	626069710	/nfs/dbraw/zinc/06/97/10/626069710.db2.gz	LSHNRYBMMUGDEO-UONOGXRCSA-N	-1	0	295.404	3.265	20	30		CGEDRM
O=C(/C=C\c1cn[nH]c1)c1ccc2ccccc2c1[O-]	ZINC000751533255	626394825	/nfs/dbraw/zinc/39/48/25/626394825.db2.gz	BZBSIRZRIZKECD-YVMONPNESA-N	-1	0	264.284	3.165	20	30		CGEDRM
CC(=NOCc1ccccc1)c1cc(C(=O)[O-])ccc1O	ZINC000757460189	626780288	/nfs/dbraw/zinc/78/02/88/626780288.db2.gz	QEKBANIHUUCPQA-UHFFFAOYSA-N	-1	0	285.299	3.031	20	30		CGEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000757468747	626780709	/nfs/dbraw/zinc/78/07/09/626780709.db2.gz	VGKQLBAJIMTRJJ-GQCTYLIASA-N	-1	0	294.713	3.123	20	30		CGEDRM
Cc1cc([N+](=O)[O-])ccc1C=NNc1ccccc1C(=O)[O-]	ZINC000758097582	626826995	/nfs/dbraw/zinc/82/69/95/626826995.db2.gz	VUBFAGXNVMKUSF-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
CCCCNN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000758106374	626827671	/nfs/dbraw/zinc/82/76/71/626827671.db2.gz	IRORNORJKIERLL-UHFFFAOYSA-N	-1	0	261.152	3.423	20	30		CGEDRM
Cc1cc(C)c(CN=Nc2ccc(C(=O)[O-])cn2)cc1C	ZINC000763367922	627154303	/nfs/dbraw/zinc/15/43/03/627154303.db2.gz	IVNKDQLBKXELNL-UHFFFAOYSA-N	-1	0	283.331	3.151	20	30		CGEDRM
O=C([O-])c1ccc(N=NC(CC2CC2)c2ccccc2)nc1	ZINC000763369536	627154316	/nfs/dbraw/zinc/15/43/16/627154316.db2.gz	XOGOOGODTYHKNJ-UHFFFAOYSA-N	-1	0	295.342	3.396	20	30		CGEDRM
[O-]c1c(Br)cccc1C=NOCC(F)(F)F	ZINC000764844591	627228177	/nfs/dbraw/zinc/22/81/77/627228177.db2.gz	JOMTZOJNVCSCQB-UHFFFAOYSA-N	-1	0	298.058	3.068	20	30		CGEDRM
O=C(/C=C/c1ncc[nH]1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766033149	627288986	/nfs/dbraw/zinc/28/89/86/627288986.db2.gz	BBQFAKJDBAKUOC-OWOJBTEDSA-N	-1	0	283.114	3.318	20	30		CGEDRM
Cc1cccc(F)c1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000769840740	627583159	/nfs/dbraw/zinc/58/31/59/627583159.db2.gz	NFLYUSRHADSCSY-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])c(F)c1	ZINC000772804487	627824889	/nfs/dbraw/zinc/82/48/89/627824889.db2.gz	XKQHGPGNQXCFNG-ZZXKWVIFSA-N	-1	0	283.258	3.005	20	30		CGEDRM
O=C([O-])c1csc(/C=C2/Oc3cc(F)ccc3C2=O)c1	ZINC000773170911	627864904	/nfs/dbraw/zinc/86/49/04/627864904.db2.gz	FQCSNQFNJCYAHG-LFYBBSHMSA-N	-1	0	290.271	3.202	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\Oc3ccc(F)cc3C2=O)c1	ZINC000774136489	627949722	/nfs/dbraw/zinc/94/97/22/627949722.db2.gz	BQEFNEUXKKBCGQ-AUWJEWJLSA-N	-1	0	284.242	3.140	20	30		CGEDRM
COc1ccsc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774141947	627950956	/nfs/dbraw/zinc/95/09/56/627950956.db2.gz	OQFPOGQZGUDSTJ-WAYWQWQTSA-N	-1	0	288.324	3.351	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1[O-]	ZINC000775684147	628125781	/nfs/dbraw/zinc/12/57/81/628125781.db2.gz	XPHWCCTXEHAWKN-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
N#Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1[O-])CC2	ZINC000775787981	628137271	/nfs/dbraw/zinc/13/72/71/628137271.db2.gz	HXDOQXNKCUTCQG-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
O=C([O-])CCOc1cccc(C=NOC2CCCCC2)c1	ZINC000777457642	628273103	/nfs/dbraw/zinc/27/31/03/628273103.db2.gz	ZVOLYXNERZWTSE-UHFFFAOYSA-N	-1	0	291.347	3.223	20	30		CGEDRM
CC(C)(C)C[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000778130282	628327715	/nfs/dbraw/zinc/32/77/15/628327715.db2.gz	GQIKQEQDXZFQAN-RXMQYKEDSA-N	-1	0	297.214	3.370	20	30		CGEDRM
CCc1cnc(/C=C/C(=O)c2cc(F)ccc2[O-])s1	ZINC000783710415	628742307	/nfs/dbraw/zinc/74/23/07/628742307.db2.gz	HJWGCZJPYWJSSA-AATRIKPKSA-N	-1	0	277.320	3.446	20	30		CGEDRM
CC(=NNc1ncccc1C)c1cc(C(=O)[O-])ccc1C	ZINC000788438345	629052144	/nfs/dbraw/zinc/05/21/44/629052144.db2.gz	AOWCZTQOCZXGBC-UHFFFAOYSA-N	-1	0	283.331	3.233	20	30		CGEDRM
Cc1ccc2nc(/C=C/C(=O)c3ccccc3[O-])cn2c1	ZINC000789142312	629107592	/nfs/dbraw/zinc/10/75/92/629107592.db2.gz	KZWWESPUCJBLGY-BQYQJAHWSA-N	-1	0	278.311	3.244	20	30		CGEDRM
C=CCCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790598913	629219757	/nfs/dbraw/zinc/21/97/57/629219757.db2.gz	RGDHZRZXOSVDGQ-RIYZIHGNSA-N	-1	0	268.700	3.339	20	30		CGEDRM
CC[C@@H](C)CON=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000793163088	629419475	/nfs/dbraw/zinc/41/94/75/629419475.db2.gz	DWBPNSAQQLRMRK-GFCCVEGCSA-N	-1	0	288.347	3.123	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccc(C(F)F)cc2)nc1	ZINC000794525800	629549956	/nfs/dbraw/zinc/54/99/56/629549956.db2.gz	HPIVSQGVPIVZPU-UHFFFAOYSA-N	-1	0	291.257	3.163	20	30		CGEDRM
O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc(F)cc1[O-]	ZINC000794941471	629602925	/nfs/dbraw/zinc/60/29/25/629602925.db2.gz	OXXXRNHYYAVPNN-HYXAFXHYSA-N	-1	0	294.228	3.411	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCc3ccc(O)cc3C2=O)cc1	ZINC000794959641	629606974	/nfs/dbraw/zinc/60/69/74/629606974.db2.gz	CDVOQBCSFLVRJJ-ZROIWOOFSA-N	-1	0	294.306	3.303	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NNc1cccc(F)n1	ZINC000795007517	629621631	/nfs/dbraw/zinc/62/16/31/629621631.db2.gz	IWKQRIFVLPSQOD-UHFFFAOYSA-N	-1	0	283.665	3.165	20	30		CGEDRM
CCCCCCCC(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000864188224	629794583	/nfs/dbraw/zinc/79/45/83/629794583.db2.gz	DXGAPDMQJGNYTH-UHFFFAOYSA-N	-1	0	281.352	3.263	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1	ZINC000802891357	630424647	/nfs/dbraw/zinc/42/46/47/630424647.db2.gz	QJICDGIMFBNXLN-ZJUUUORDSA-N	-1	0	298.264	3.181	20	30		CGEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccc(O)c(F)c2)c1	ZINC000806559102	630567014	/nfs/dbraw/zinc/56/70/14/630567014.db2.gz	UWPSVDAVPOFOJW-XQRVVYSFSA-N	-1	0	286.258	3.126	20	30		CGEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)o1	ZINC000808067922	630620693	/nfs/dbraw/zinc/62/06/93/630620693.db2.gz	UPHJPQMLZQVPTQ-UHFFFAOYSA-N	-1	0	298.323	3.105	20	30		CGEDRM
C#CCN(Cc1ccccc1)C(=O)c1cc(O)ccc1Cl	ZINC000811525090	631083300	/nfs/dbraw/zinc/08/33/00/631083300.db2.gz	DRFNPTVMBCGFAZ-UHFFFAOYSA-N	-1	0	299.757	3.321	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2[nH]ccc2c1	ZINC000811635547	631094521	/nfs/dbraw/zinc/09/45/21/631094521.db2.gz	BNXFSUZVAZQNBS-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cnn(CC(F)F)c2)c([O-])c1	ZINC000814189995	631542613	/nfs/dbraw/zinc/54/26/13/631542613.db2.gz	MOPJMKRYHVEPFS-HYXAFXHYSA-N	-1	0	292.285	3.058	20	30		CGEDRM
CC(=NNc1ccccc1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814684407	631621372	/nfs/dbraw/zinc/62/13/72/631621372.db2.gz	RLMOMNIQKXOUBB-CYBMUJFWSA-N	-1	0	298.342	3.375	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]1C	ZINC000814689886	631623934	/nfs/dbraw/zinc/62/39/34/631623934.db2.gz	KAOFGRSMGITTEE-HTQZYQBOSA-N	-1	0	266.728	3.482	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccc3ccccc3n2)c1	ZINC000814697402	631624679	/nfs/dbraw/zinc/62/46/79/631624679.db2.gz	MQCIUICNILVRIY-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCc1ccccc1	ZINC000814751727	631633898	/nfs/dbraw/zinc/63/38/98/631633898.db2.gz	RSPZKKJDXLHRCR-UHFFFAOYSA-N	-1	0	282.343	3.125	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ncccc2Cl)CC[C@H]1C(=O)[O-]	ZINC000814810500	631646665	/nfs/dbraw/zinc/64/66/65/631646665.db2.gz	OKZBVBDZNIAALX-PSASIEDQSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(F)c2F)CC[C@@H]1CC(=O)[O-]	ZINC000814859067	631657348	/nfs/dbraw/zinc/65/73/48/631657348.db2.gz	IWRHEGWKDOMXOW-RKDXNWHRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
COc1cc(F)cc(N=NC(C)CC2(C(=O)[O-])CCC2)c1	ZINC000814870579	631660141	/nfs/dbraw/zinc/66/01/41/631660141.db2.gz	ITWRBKZBYMXEAO-UHFFFAOYSA-N	-1	0	294.326	3.267	20	30		CGEDRM
C[C@H]1CC(=NNCc2ccc(Cl)cc2)CC[C@@H]1C(=O)[O-]	ZINC000814873231	631661284	/nfs/dbraw/zinc/66/12/84/631661284.db2.gz	SCLWVRKMMBVGSO-HZMBPMFUSA-N	-1	0	294.782	3.306	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NO[C@@H]1CCCCO1	ZINC000814887964	631666703	/nfs/dbraw/zinc/66/67/03/631666703.db2.gz	UKZRQPLXZNVPKM-CQSZACIVSA-N	-1	0	271.357	3.331	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2ccnc(F)c2)c1Cl	ZINC000814902011	631671744	/nfs/dbraw/zinc/67/17/44/631671744.db2.gz	DGZOPOUQIZZKGJ-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
CC(=NN[C@@H]1CCOC(C)(C)C1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814908078	631675566	/nfs/dbraw/zinc/67/55/66/631675566.db2.gz	HCYHYXKHGMTUNC-GXTWGEPZSA-N	-1	0	298.427	3.191	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NOC1CCCCC1	ZINC000814910573	631678166	/nfs/dbraw/zinc/67/81/66/631678166.db2.gz	XFEQHCPJQFQXOT-UHFFFAOYSA-N	-1	0	253.342	3.357	20	30		CGEDRM
COc1cc(F)ccc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814916870	631681142	/nfs/dbraw/zinc/68/11/42/631681142.db2.gz	XONANERTYJOWJP-ZJUUUORDSA-N	-1	0	294.326	3.123	20	30		CGEDRM
CC(=NNCC1CCCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814933377	631688516	/nfs/dbraw/zinc/68/85/16/631688516.db2.gz	MLXKQBRWPORBTO-LBPRGKRZSA-N	-1	0	268.401	3.423	20	30		CGEDRM
C[C@@]1(C#N)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000827649392	633507537	/nfs/dbraw/zinc/50/75/37/633507537.db2.gz	JWZFRODRCNVNAL-ZDUSSCGKSA-N	-1	0	285.174	3.435	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830324255	633849618	/nfs/dbraw/zinc/84/96/18/633849618.db2.gz	RETWCDALVQWHDQ-UHFFFAOYSA-N	-1	0	291.322	3.441	20	30		CGEDRM
CCC(CCC(F)(F)F)N=Nc1ccc(C(=O)[O-])cn1	ZINC000872360539	634118070	/nfs/dbraw/zinc/11/80/70/634118070.db2.gz	PGRBWRSIBOMTAZ-UHFFFAOYSA-N	-1	0	289.257	3.300	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCC(F)(F)C2)c(F)c1	ZINC000872380019	634127281	/nfs/dbraw/zinc/12/72/81/634127281.db2.gz	SOBJWKLCJCDNKL-MRVPVSSYSA-N	-1	0	286.253	3.357	20	30		CGEDRM
C=C(C)CON=Cc1csc(=NC(=O)OC(C)(C)C)[nH]1	ZINC000872386436	634128653	/nfs/dbraw/zinc/12/86/53/634128653.db2.gz	MPLUGQRCICPNAC-UHFFFAOYSA-N	-1	0	297.380	3.417	20	30		CGEDRM
CC(N=N[C@@H](C)C(F)(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000834998424	634305799	/nfs/dbraw/zinc/30/57/99/634305799.db2.gz	HCIUHKOKLPIXIK-SCZZXKLOSA-N	-1	0	282.306	3.184	20	30		CGEDRM
CC1(C)CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1	ZINC000835006487	634311545	/nfs/dbraw/zinc/31/15/45/634311545.db2.gz	FXJOTZRHJKNJJG-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CC1(C)C	ZINC000835009421	634313323	/nfs/dbraw/zinc/31/33/23/634313323.db2.gz	SKJOFUXAOCPEQN-LLVKDONJSA-N	-1	0	264.300	3.358	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1(C)C	ZINC000835010009	634314696	/nfs/dbraw/zinc/31/46/96/634314696.db2.gz	KQZOFXHUZVQXIQ-ZDUSSCGKSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C=CCCC(CCC)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010335	634315055	/nfs/dbraw/zinc/31/50/55/634315055.db2.gz	XSZQZCOYWDFNBH-UHFFFAOYSA-N	-1	0	261.325	3.314	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCC1	ZINC000835010385	634315242	/nfs/dbraw/zinc/31/52/42/634315242.db2.gz	ZFNUIGVFCQSWSL-UHFFFAOYSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C=C(C)CON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000844620539	635943637	/nfs/dbraw/zinc/94/36/37/635943637.db2.gz	XJMMRIIPCRMDKP-QWRGUYRKSA-N	-1	0	253.342	3.092	20	30		CGEDRM
C=C[C@H](C)ON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000844620658	635944195	/nfs/dbraw/zinc/94/41/95/635944195.db2.gz	NVZGFPIZQRBAPU-AXFHLTTASA-N	-1	0	253.342	3.090	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(C)c2)CCC1	ZINC000846537119	636195182	/nfs/dbraw/zinc/19/51/82/636195182.db2.gz	DSEMWDXPIWKNCB-UHFFFAOYSA-N	-1	0	259.349	3.041	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CSc1cc(C)ccc1C	ZINC000846540822	636196190	/nfs/dbraw/zinc/19/61/90/636196190.db2.gz	KYTLRNPMJPNIKZ-UHFFFAOYSA-N	-1	0	265.378	3.019	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1cccc(C(C)C)c1	ZINC000846539121	636196294	/nfs/dbraw/zinc/19/62/94/636196294.db2.gz	XQOWOUMTCFPREY-ZDUSSCGKSA-N	-1	0	277.364	3.201	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1C	ZINC000846540911	636196632	/nfs/dbraw/zinc/19/66/32/636196632.db2.gz	BNGMDNQZMKUPRA-QWRGUYRKSA-N	-1	0	283.755	3.038	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(F)cc2F)CCC1	ZINC000846550414	636200220	/nfs/dbraw/zinc/20/02/20/636200220.db2.gz	RYTCTTRFGNADTM-JTQLQIEISA-N	-1	0	281.302	3.009	20	30		CGEDRM
O=C(/C=C/c1ccnn1CC1CC1)c1ccc(F)cc1[O-]	ZINC000849246756	636778553	/nfs/dbraw/zinc/77/85/53/636778553.db2.gz	KSCFRJAHPNZYSS-GQCTYLIASA-N	-1	0	286.306	3.034	20	30		CGEDRM
CO[C@@]1(C)C[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000852999223	637725799	/nfs/dbraw/zinc/72/57/99/637725799.db2.gz	YNWGXUAUEPIVFL-QNABYPNISA-N	-1	0	274.147	3.295	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C(C)C)c2)C(=O)O1	ZINC000853000521	637728449	/nfs/dbraw/zinc/72/84/49/637728449.db2.gz	CIYRCXMBTDDJQH-OZSKJFCKSA-N	-1	0	298.338	3.038	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000887325217	637797729	/nfs/dbraw/zinc/79/77/29/637797729.db2.gz	JNOOWEOXRVKVLQ-NSHDSACASA-N	-1	0	275.348	3.416	20	30		CGEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000853280427	637800466	/nfs/dbraw/zinc/80/04/66/637800466.db2.gz	KASUJIKQVCLHEV-GRYCIOLGSA-N	-1	0	258.321	3.219	20	30		CGEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)C1CCCC1	ZINC000853354684	637823231	/nfs/dbraw/zinc/82/32/31/637823231.db2.gz	RZELBEWQEHJEFZ-CQSZACIVSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CO[C@H](CN=Nc1cccc(C(=O)[O-])c1C)C1CCCC1	ZINC000853370375	637826479	/nfs/dbraw/zinc/82/64/79/637826479.db2.gz	LHOMXYPCZRSLKE-OAHLLOKOSA-N	-1	0	290.363	3.296	20	30		CGEDRM
O=C(/C=C/c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005772117	638237586	/nfs/dbraw/zinc/23/75/86/638237586.db2.gz	TYZOYHUZLDIJJN-SOFGYWHQSA-N	-1	0	269.256	3.197	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2)s1	ZINC000042318111	639915522	/nfs/dbraw/zinc/91/55/22/639915522.db2.gz	CFTAMBRRIOEDOT-UHFFFAOYSA-N	-1	0	295.385	3.058	20	30		CGEDRM
Cc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000156622926	639980666	/nfs/dbraw/zinc/98/06/66/639980666.db2.gz	WZGZRINZQCBMBT-VMPITWQZSA-N	-1	0	254.285	3.302	20	30		CGEDRM
COCCOc1cccc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC000156602374	639981609	/nfs/dbraw/zinc/98/16/09/639981609.db2.gz	HFYPMFJCZUMDQA-MDZDMXLPSA-N	-1	0	298.338	3.314	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708983	639998426	/nfs/dbraw/zinc/99/84/26/639998426.db2.gz	YFPKJVCVOSTMPA-UHFFFAOYSA-N	-1	0	289.784	3.421	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1C	ZINC000077940465	640273741	/nfs/dbraw/zinc/27/37/41/640273741.db2.gz	UPBAIDGTFCZHQF-UONOGXRCSA-N	-1	0	295.404	3.185	20	30		CGEDRM
C=C[C@H](Sc1cccc(Br)c1)C(=O)[O-]	ZINC000300955269	963045901	/nfs/dbraw/zinc/04/59/01/963045901.db2.gz	FUKNCVYCWUEKCC-VIFPVBQESA-N	-1	0	273.151	3.180	20	30		CGEDRM
N#Cc1ccc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c1	ZINC001251936796	805954098	/nfs/dbraw/zinc/95/40/98/805954098.db2.gz	IKFUYRRQHSAQCT-UHFFFAOYSA-N	-1	0	295.273	3.044	20	30		CGEDRM
CC(C)C[C@@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176398149	799095242	/nfs/dbraw/zinc/09/52/42/799095242.db2.gz	XWZWLKYXMYPUKO-LLVKDONJSA-N	-1	0	260.337	3.275	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2cc(Cl)c(Cl)cc2[O-])cn1	ZINC000588594503	799719243	/nfs/dbraw/zinc/71/92/43/799719243.db2.gz	KMJVHBQAWRGNRF-IHWYPQMZSA-N	-1	0	297.141	3.329	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000710539522	800036047	/nfs/dbraw/zinc/03/60/47/800036047.db2.gz	USTPFONFIQGAHP-ZIAGYGMSSA-N	-1	0	283.412	3.306	20	30		CGEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cccs2)ccc1O	ZINC000809152227	800413068	/nfs/dbraw/zinc/41/30/68/800413068.db2.gz	OQUGEIZTAQEHOT-GQCTYLIASA-N	-1	0	274.297	3.048	20	30		CGEDRM
N#Cc1cc(-c2ccc3oc(=S)[n-]c3c2)ccc1N	ZINC001244113846	803193003	/nfs/dbraw/zinc/19/30/03/803193003.db2.gz	IJCYJURZWXYPJY-UHFFFAOYSA-N	-1	0	267.313	3.237	20	30		CGEDRM
N#CCOc1cc(F)ccc1-c1ccc(CCC(=O)[O-])cc1	ZINC001244186798	803232825	/nfs/dbraw/zinc/23/28/25/803232825.db2.gz	OAFLYCRPNGXPRU-UHFFFAOYSA-N	-1	0	299.301	3.412	20	30		CGEDRM
COc1ccc(F)c(-c2ccc(/C=N/[O-])c(F)c2)c1OC	ZINC001244596540	803460053	/nfs/dbraw/zinc/46/00/53/803460053.db2.gz	OCJFHWUCJCNTGF-QGMBQPNBSA-N	-1	0	293.269	3.457	20	30		CGEDRM
N#Cc1cnc(-c2ccc(Cl)c([O-])c2F)c(F)c1	ZINC001244630182	803472987	/nfs/dbraw/zinc/47/29/87/803472987.db2.gz	FZCIDXABULJNNQ-UHFFFAOYSA-N	-1	0	266.634	3.257	20	30		CGEDRM
N#CCc1ccc(-c2ccc(Cl)c([O-])c2F)nc1	ZINC001244630735	803473647	/nfs/dbraw/zinc/47/36/47/803473647.db2.gz	MXHYSIBHWADZHV-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1ccc(-c2cnc(F)c(C(=O)[O-])c2)c(C)c1C#N	ZINC001244756094	803521568	/nfs/dbraw/zinc/52/15/68/803521568.db2.gz	IZNCTGMKCSARQE-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1c2ccccc2cnc1-c1cc(C(=O)[O-])cnc1F	ZINC001244758713	803522285	/nfs/dbraw/zinc/52/22/85/803522285.db2.gz	YRHRHRMMUROZRO-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1ccc2nccc(-c3cc(C(=O)[O-])cnc3F)c2c1	ZINC001244760664	803522549	/nfs/dbraw/zinc/52/25/49/803522549.db2.gz	AEHTVQZZHNHEFV-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#CC1(c2ccc(-c3cc(C(=O)[O-])cnc3F)cc2)CC1	ZINC001244762107	803523149	/nfs/dbraw/zinc/52/31/49/803523149.db2.gz	ZZJYSHQWZZEPON-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
Cc1cc(-c2cnc(F)c(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001244947403	803587380	/nfs/dbraw/zinc/58/73/80/803587380.db2.gz	YLRPHUPMLGGCGF-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1cc(F)cnc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245370675	803716701	/nfs/dbraw/zinc/71/67/01/803716701.db2.gz	BAQGUOVGZYIBQQ-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245372410	803718062	/nfs/dbraw/zinc/71/80/62/803718062.db2.gz	SPUMHUCEMHUROU-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cc([O-])c(F)c(F)c2F)n1	ZINC001245633477	803868858	/nfs/dbraw/zinc/86/88/58/803868858.db2.gz	DSXGBLRXZNALJX-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#CC1(c2ccnc(-c3cc([O-])c(F)c(F)c3F)c2)CC1	ZINC001245635725	803870079	/nfs/dbraw/zinc/87/00/79/803870079.db2.gz	OTGSSRHNSCBTRK-UHFFFAOYSA-N	-1	0	290.244	3.427	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc([O-])c(F)c(F)c1F)CCC2	ZINC001245634890	803870358	/nfs/dbraw/zinc/87/03/58/803870358.db2.gz	IGGKMGULCISONU-UHFFFAOYSA-N	-1	0	290.244	3.232	20	30		CGEDRM
Cc1ccc(-c2cc([O-])c(F)c(F)c2F)c(C#N)n1	ZINC001245637821	803874820	/nfs/dbraw/zinc/87/48/20/803874820.db2.gz	XQEIYOXWDOGHBY-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#Cc1ccc(-c2c([O-])cccc2F)nc1C(F)(F)F	ZINC001245654900	803885699	/nfs/dbraw/zinc/88/56/99/803885699.db2.gz	SMSGHHPSUMKCLX-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(CC3CCCC3)[n-]2)cc1	ZINC001245932475	804060450	/nfs/dbraw/zinc/06/04/50/804060450.db2.gz	HJGUHLTZIISBEB-UHFFFAOYSA-N	-1	0	267.332	3.318	20	30		CGEDRM
C=CCCNC(=S)Nc1ccc2[n-]c(=S)sc2c1	ZINC001247649742	804792310	/nfs/dbraw/zinc/79/23/10/804792310.db2.gz	YBQBQIHGXNTQOA-UHFFFAOYSA-N	-1	0	295.458	3.448	20	30		CGEDRM
N#Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)s1	ZINC001249961499	805329465	/nfs/dbraw/zinc/32/94/65/805329465.db2.gz	RLMZMIGXDDWZCL-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
CC1(C)C(C)(C)C1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001153000163	805377363	/nfs/dbraw/zinc/37/73/63/805377363.db2.gz	QTHRPNYKUHFPSB-UHFFFAOYSA-N	-1	0	272.348	3.275	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Cc1ccccc1C#N	ZINC001250045639	805386003	/nfs/dbraw/zinc/38/60/03/805386003.db2.gz	GDWNPXUELUAZIO-UHFFFAOYSA-N	-1	0	269.275	3.295	20	30		CGEDRM
N#Cc1ccccc1Cc1ccc(F)c(C(=O)[O-])c1F	ZINC001250047691	805387066	/nfs/dbraw/zinc/38/70/66/805387066.db2.gz	RSPPDGWPXKJJEW-UHFFFAOYSA-N	-1	0	273.238	3.125	20	30		CGEDRM
N#Cc1ccc(Cc2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC001250054658	805393210	/nfs/dbraw/zinc/39/32/10/805393210.db2.gz	PAFISBTUCVIBDZ-MDZDMXLPSA-N	-1	0	263.296	3.247	20	30		CGEDRM
N#Cc1ccc(NC(=O)c2c[nH]c3ccc(F)cc23)c(O)c1	ZINC001154138835	805435343	/nfs/dbraw/zinc/43/53/43/805435343.db2.gz	SYHJPYSXICHFEQ-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#Cc1cc(NC(=O)c2c[nH]c3ccc(F)cc23)ccc1O	ZINC001154138157	805435821	/nfs/dbraw/zinc/43/58/21/805435821.db2.gz	ADRMNWCZYFXSAC-UHFFFAOYSA-N	-1	0	295.273	3.137	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccnc1C1CC1	ZINC001212737135	815119139	/nfs/dbraw/zinc/11/91/39/815119139.db2.gz	RTMTZDVFNLNAFE-UHFFFAOYSA-N	-1	0	257.318	3.341	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)s1	ZINC001260678416	807698964	/nfs/dbraw/zinc/69/89/64/807698964.db2.gz	AIUHOWLAMYLXQE-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=C[C@H]1C[C@]1(Nc1cc(F)ccc1[S-])C(=O)OCC	ZINC001170928604	807937331	/nfs/dbraw/zinc/93/73/31/807937331.db2.gz	REOSSEXCYAZJOI-LKFCYVNXSA-N	-1	0	281.352	3.034	20	30		CGEDRM
CCCCCCC[C@@H](CCC)[NH2+]CCOP(=O)([O-])[O-]	ZINC001172503684	808358459	/nfs/dbraw/zinc/35/84/59/808358459.db2.gz	ZRJPNSHLBQOXAP-CYBMUJFWSA-N	-1	0	295.360	3.215	20	30		CGEDRM
CC(=O)c1cccc(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001173900137	808751343	/nfs/dbraw/zinc/75/13/43/808751343.db2.gz	CWYBYZAUXYKZSB-UHFFFAOYSA-N	-1	0	270.263	3.349	20	30		CGEDRM
N#Cc1cc(Nc2cc(F)ccc2F)c([O-])cc1F	ZINC001173952631	808781848	/nfs/dbraw/zinc/78/18/48/808781848.db2.gz	UBLHHNZGIYHJRM-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1ncc(Cl)cc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174496388	809043680	/nfs/dbraw/zinc/04/36/80/809043680.db2.gz	JJBHFSRMVGADDE-SNAWJCMRSA-N	-1	0	299.717	3.448	20	30		CGEDRM
N#Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001174497038	809045146	/nfs/dbraw/zinc/04/51/46/809045146.db2.gz	BFANLVJOGCPVPJ-FNORWQNLSA-N	-1	0	289.294	3.271	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174499269	809046913	/nfs/dbraw/zinc/04/69/13/809046913.db2.gz	DBGVOJPBEHGHGF-SOFGYWHQSA-N	-1	0	294.310	3.408	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1oc(C)c(C)c1C#N	ZINC001174673719	809126372	/nfs/dbraw/zinc/12/63/72/809126372.db2.gz	KZFRICGMAWHKTD-UHFFFAOYSA-N	-1	0	286.287	3.219	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cc(F)ccc1C#N	ZINC001174676981	809127292	/nfs/dbraw/zinc/12/72/92/809127292.db2.gz	FLKKQZPTHGAASA-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1cc(Nc2ccccc2CC#N)ccc1C(=O)[O-]	ZINC001174686442	809131007	/nfs/dbraw/zinc/13/10/07/809131007.db2.gz	CXVMUUGLBZJSPS-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
C=C(C)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1	ZINC001174793586	809164713	/nfs/dbraw/zinc/16/47/13/809164713.db2.gz	FWRUHHXLSHHXOX-UHFFFAOYSA-N	-1	0	263.318	3.032	20	30		CGEDRM
C=C(C)Nc1ccc2ccccc2c1S(=O)(=O)[O-]	ZINC001174794257	809165015	/nfs/dbraw/zinc/16/50/15/809165015.db2.gz	BNLJGLYABJCVDU-UHFFFAOYSA-N	-1	0	263.318	3.032	20	30		CGEDRM
C#Cc1cccc(Nc2cc(C(=O)[O-])ccc2C)c1	ZINC001174982240	809224736	/nfs/dbraw/zinc/22/47/36/809224736.db2.gz	OXGFCPGIZCJVJH-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
Cc1nsc(Nc2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001174981678	809224747	/nfs/dbraw/zinc/22/47/47/809224747.db2.gz	NUTZCTAMVBHHEV-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cc(F)ccc1C#N	ZINC001174982697	809225547	/nfs/dbraw/zinc/22/55/47/809225547.db2.gz	TZZMPUKUXDJPOF-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#CCc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC001175218615	809312530	/nfs/dbraw/zinc/31/25/30/809312530.db2.gz	IFXDQVUQXTVJSF-UHFFFAOYSA-N	-1	0	270.263	3.334	20	30		CGEDRM
Cc1noc([N-]c2c(F)c(F)c(F)c(F)c2F)c1C#N	ZINC001175383851	809386043	/nfs/dbraw/zinc/38/60/43/809386043.db2.gz	RCLZHQXDUXSCDL-UHFFFAOYSA-N	-1	0	289.163	3.294	20	30		CGEDRM
N#Cc1cc(Nc2cc([N+](=O)[O-])ccc2F)c([O-])cc1F	ZINC001175736783	809524971	/nfs/dbraw/zinc/52/49/71/809524971.db2.gz	ANIOCUPKRIBKHN-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC001300219780	809563989	/nfs/dbraw/zinc/56/39/89/809563989.db2.gz	LMUYJTUFZUOTLK-RRFJBIMHSA-N	-1	0	283.412	3.088	20	30		CGEDRM
COc1cc(Nc2cc(C)ccc2C#N)cc(C(=O)[O-])c1	ZINC001213591187	815307273	/nfs/dbraw/zinc/30/72/73/815307273.db2.gz	VGOGVPHRIMRYDW-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cc(Nc2cccc(OC)c2C#N)cc(C(=O)[O-])c1	ZINC001213594953	815308015	/nfs/dbraw/zinc/30/80/15/815308015.db2.gz	KZOMGMUXKZIKQH-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
CC(C)Oc1cc(Nc2scc([O-])c2C#N)c(F)cn1	ZINC001176481621	809704869	/nfs/dbraw/zinc/70/48/69/809704869.db2.gz	OXPYLKPSIPUEDD-UHFFFAOYSA-N	-1	0	293.323	3.390	20	30		CGEDRM
Cn1cc(Nc2scc([O-])c2C#N)c(-c2ccccc2)n1	ZINC001176568907	809719319	/nfs/dbraw/zinc/71/93/19/809719319.db2.gz	ZIIYCGNDXSQIDU-UHFFFAOYSA-N	-1	0	296.355	3.469	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(O)c1	ZINC001176588888	809724841	/nfs/dbraw/zinc/72/48/41/809724841.db2.gz	QURNTNCTZUYELN-UHFFFAOYSA-N	-1	0	294.310	3.124	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)s1	ZINC001176594669	809726174	/nfs/dbraw/zinc/72/61/74/809726174.db2.gz	WCNDDLOOZRGZEJ-FPYGCLRLSA-N	-1	0	270.313	3.461	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(O)c1	ZINC001176595851	809727154	/nfs/dbraw/zinc/72/71/54/809727154.db2.gz	QCMINMQCNYPXJH-XBXARRHUSA-N	-1	0	280.283	3.105	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1c(F)cc(F)c([O-])c1F	ZINC001176663849	809738432	/nfs/dbraw/zinc/73/84/32/809738432.db2.gz	JSIWNJRMKLUHKZ-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1c(F)cc(F)c([O-])c1F	ZINC001176674274	809741254	/nfs/dbraw/zinc/74/12/54/809741254.db2.gz	UAKLOQHLQBFQRA-UHFFFAOYSA-N	-1	0	279.221	3.007	20	30		CGEDRM
CCCCCCN(O)C(=O)COCc1cccc(C)c1	ZINC001184314587	810190551	/nfs/dbraw/zinc/19/05/51/810190551.db2.gz	BBOCKYHWTGSPHR-UHFFFAOYSA-N	-1	0	279.380	3.310	20	30		CGEDRM
N#Cc1ccc(NC(=O)Nc2c([O-])cc(F)cc2F)cc1	ZINC001184749338	810217225	/nfs/dbraw/zinc/21/72/25/810217225.db2.gz	GOOIVSVTMAHPTK-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
C[C@H](NC(=O)Nc1cc(C#N)ccc1[O-])C1CCCCC1	ZINC001186394254	810336068	/nfs/dbraw/zinc/33/60/68/810336068.db2.gz	DLXVYIIRELLDSU-NSHDSACASA-N	-1	0	287.363	3.354	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1ncc(C)c(C)n1	ZINC001187992610	810439795	/nfs/dbraw/zinc/43/97/95/810439795.db2.gz	QALYLGWQUCUYOP-UHFFFAOYSA-N	-1	0	299.440	3.196	20	30		CGEDRM
C#Cc1ccc(C(=O)Nc2ccccc2[S-])cc1	ZINC001188727825	810509389	/nfs/dbraw/zinc/50/93/89/810509389.db2.gz	NUKROTILZYMYOH-UHFFFAOYSA-N	-1	0	253.326	3.209	20	30		CGEDRM
C=CCC1(S(=O)(=O)[N-]c2nc3ccccc3s2)CC1	ZINC001190762468	810646353	/nfs/dbraw/zinc/64/63/53/810646353.db2.gz	ICGIKHUOWANSTO-UHFFFAOYSA-N	-1	0	294.401	3.147	20	30		CGEDRM
CCCC[C@H](C)NC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001193064576	810850301	/nfs/dbraw/zinc/85/03/01/810850301.db2.gz	DGKDRRVYIGKFLZ-VIFPVBQESA-N	-1	0	279.315	3.103	20	30		CGEDRM
CCCCCOC(=O)N=c1s[n-]c(C)c1C#N	ZINC001193731147	810944122	/nfs/dbraw/zinc/94/41/22/810944122.db2.gz	CNRUSPIRRFJKIK-UHFFFAOYSA-N	-1	0	253.327	3.062	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1	ZINC001214606166	815430725	/nfs/dbraw/zinc/43/07/25/815430725.db2.gz	JDBFAXSFGNYYIO-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=S)NCC2CCCCC2)c1	ZINC001199927171	811614441	/nfs/dbraw/zinc/61/44/41/811614441.db2.gz	QJGYJGFNWJDUHW-UHFFFAOYSA-N	-1	0	289.404	3.131	20	30		CGEDRM
C=CCNC(=S)Nc1ccc2[n-]c(=S)sc2c1	ZINC001200292998	811670463	/nfs/dbraw/zinc/67/04/63/811670463.db2.gz	STJXENMDSSPGOA-UHFFFAOYSA-N	-1	0	281.431	3.057	20	30		CGEDRM
C=CCNC(=S)Nc1cc(Cl)c([O-])cc1Cl	ZINC001200292544	811670911	/nfs/dbraw/zinc/67/09/11/811670911.db2.gz	KDRXBSVLEDXXMX-UHFFFAOYSA-N	-1	0	277.176	3.171	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2cccc(F)c2[O-])c1	ZINC001202787640	812173997	/nfs/dbraw/zinc/17/39/97/812173997.db2.gz	LXQCJBJJWRDZNW-UHFFFAOYSA-N	-1	0	271.251	3.047	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1ccsc1C(=O)[O-]	ZINC001215386979	815514199	/nfs/dbraw/zinc/51/41/99/815514199.db2.gz	MXMDBXHWSNLQEY-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
Cc1ccc(Nc2ccsc2C(=O)[O-])cc1C#N	ZINC001215394046	815515863	/nfs/dbraw/zinc/51/58/63/815515863.db2.gz	HNTBIICMWGYHRX-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cc(Nc2ccc3cncnc3c2)c([O-])cc1F	ZINC001203711379	812436993	/nfs/dbraw/zinc/43/69/93/812436993.db2.gz	JPYBPXYQCJFEKZ-UHFFFAOYSA-N	-1	0	280.262	3.090	20	30		CGEDRM
Cc1cc(C)c(C#N)c(-c2ccc(F)c(C(=O)[O-])c2F)n1	ZINC001205055220	812840584	/nfs/dbraw/zinc/84/05/84/812840584.db2.gz	QUHJJJOMGQHDOB-UHFFFAOYSA-N	-1	0	288.253	3.214	20	30		CGEDRM
N#CC1(c2ccc(-c3ccsc3C(=O)[O-])nc2)CC1	ZINC001205377830	812975761	/nfs/dbraw/zinc/97/57/61/812975761.db2.gz	HBORTZUEIPBMSK-UHFFFAOYSA-N	-1	0	270.313	3.063	20	30		CGEDRM
N#Cc1c(-c2ccsc2C(=O)[O-])ncc2c1CCCC2	ZINC001205564783	813004815	/nfs/dbraw/zinc/00/48/15/813004815.db2.gz	BJACSEARYHZNPS-UHFFFAOYSA-N	-1	0	284.340	3.259	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccc([O-])cc1F	ZINC001206030283	813173324	/nfs/dbraw/zinc/17/33/24/813173324.db2.gz	UAWWQFFUVPUUMP-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1cc(C(=O)[O-])cc(F)c1C	ZINC001210008015	814241073	/nfs/dbraw/zinc/24/10/73/814241073.db2.gz	XETKUEPDESNRNO-UHFFFAOYSA-N	-1	0	285.278	3.151	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cccc(C(=O)[O-])c1F	ZINC001210241295	814360400	/nfs/dbraw/zinc/36/04/00/814360400.db2.gz	VUSPYCIHHZYLGL-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
CC(C)n1ccc([N-]c2onc(C(C)(C)C)c2C#N)n1	ZINC001210341517	814411533	/nfs/dbraw/zinc/41/15/33/814411533.db2.gz	JREUQZKUTKEHJL-UHFFFAOYSA-N	-1	0	273.340	3.365	20	30		CGEDRM
N#Cc1cc(F)cc(F)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210397447	814443282	/nfs/dbraw/zinc/44/32/82/814443282.db2.gz	ALCUTUKEIOWEQX-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
COc1cc(Nc2cc(C)cc(C(=O)[O-])c2)ccc1C#N	ZINC001211544859	814904635	/nfs/dbraw/zinc/90/46/35/814904635.db2.gz	LTEOTGLTMRLFFC-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(Nc2ccc(O)c(C#N)c2)cc(C(=O)[O-])c1	ZINC001211547853	814905828	/nfs/dbraw/zinc/90/58/28/814905828.db2.gz	YKDBCESHXCQTON-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1ccc(Nc2ccc(C#N)s2)cc1C(=O)[O-]	ZINC001211599626	814915094	/nfs/dbraw/zinc/91/50/94/814915094.db2.gz	QFNBEEUIAZNBAB-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1c(Cl)cccc1Nc1cc(=O)[n-]c(Cl)n1	ZINC001216127334	815707230	/nfs/dbraw/zinc/70/72/30/815707230.db2.gz	RAVSRWDSURXHFG-UHFFFAOYSA-N	-1	0	281.102	3.104	20	30		CGEDRM
Cc1cc(Nc2cc(C#N)ccc2O)cc(C)c1C(=O)[O-]	ZINC001216311119	815775624	/nfs/dbraw/zinc/77/56/24/815775624.db2.gz	FBMNWRSNAFJYNY-UHFFFAOYSA-N	-1	0	282.299	3.323	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216680807	815892190	/nfs/dbraw/zinc/89/21/90/815892190.db2.gz	FCTNKLRJPPQQOZ-UHFFFAOYSA-N	-1	0	284.290	3.377	20	30		CGEDRM
N#Cc1cc(-c2nc(-c3cc(F)cc(F)c3)no2)ccc1[O-]	ZINC001216969703	815904425	/nfs/dbraw/zinc/90/44/25/815904425.db2.gz	NKEAJBUFWPQVMV-UHFFFAOYSA-N	-1	0	299.236	3.259	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2ccccc2C(=O)[O-])cn1	ZINC001242878503	823161982	/nfs/dbraw/zinc/16/19/82/823161982.db2.gz	VXCBVNAMYSYXGS-UHFFFAOYSA-N	-1	0	266.300	3.248	20	30		CGEDRM
N#CCc1c(F)cccc1-c1ccccc1C(=O)[O-]	ZINC001242881632	823163730	/nfs/dbraw/zinc/16/37/30/823163730.db2.gz	NHGYQQIWGZDKSS-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3c(F)cc(C(=O)[O-])cc3F)c12	ZINC001222391917	816429701	/nfs/dbraw/zinc/42/97/01/816429701.db2.gz	DRUDRTGGARBEMF-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
C=CCn1cc(-c2ccc3oc(=S)[n-]c3c2)cn1	ZINC001222396333	816432508	/nfs/dbraw/zinc/43/25/08/816432508.db2.gz	VYLLMDUQNQXFQO-UHFFFAOYSA-N	-1	0	257.318	3.166	20	30		CGEDRM
N#Cc1c(F)cccc1-c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001222678504	816497232	/nfs/dbraw/zinc/49/72/32/816497232.db2.gz	GZSWNGFLKNJSNV-UHFFFAOYSA-N	-1	0	281.286	3.481	20	30		CGEDRM
COC[C@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222940319	816539188	/nfs/dbraw/zinc/53/91/88/816539188.db2.gz	QWSALXUTBNUNMD-OPVNVCPSSA-N	-1	0	293.697	3.162	20	30		CGEDRM
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)c1cncnc1	ZINC001223593855	816655571	/nfs/dbraw/zinc/65/55/71/816655571.db2.gz	PNTDONNDIYSRIL-KWSCKXNYSA-N	-1	0	277.711	3.044	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CC[C@@H](C)C2)c1	ZINC001223893435	816698629	/nfs/dbraw/zinc/69/86/29/816698629.db2.gz	VFVKYWJLQIMQBR-LYUUXVPISA-N	-1	0	279.336	3.045	20	30		CGEDRM
COc1cc(C#N)ccc1CO[C@H](C)C1=CC=C[CH]1	ZINC001224191704	816752175	/nfs/dbraw/zinc/75/21/75/816752175.db2.gz	JGKNLBJTCYHWRI-GFCCVEGCSA-N	-1	0	254.309	3.172	20	30		CGEDRM
CCCCCCC[C@H](CC)OCC[P@@](=O)([O-])O	ZINC001224602112	816830967	/nfs/dbraw/zinc/83/09/67/816830967.db2.gz	OFXIISPFSYGIJT-LBPRGKRZSA-N	-1	0	266.318	3.320	20	30		CGEDRM
C=C(C)[C@H]1CC=C(C)[C@H](OCCCC[P@@](=O)([O-])O)C1	ZINC001225023522	816934093	/nfs/dbraw/zinc/93/40/93/816934093.db2.gz	XCJSKIWIDONSEQ-UONOGXRCSA-N	-1	0	288.324	3.262	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2cnccc2Br)cc1F	ZINC001243059593	823231194	/nfs/dbraw/zinc/23/11/94/823231194.db2.gz	WOZBLELKEKQQER-OMCISZLKSA-N	-1	0	295.111	3.458	20	30		CGEDRM
C#CC[C@H](CC)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225885605	817205959	/nfs/dbraw/zinc/20/59/59/817205959.db2.gz	NDAYZDLEHBESOL-LURJTMIESA-N	-1	0	262.202	3.129	20	30		CGEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)c(F)cc2C#N)cc1	ZINC001226008872	817246851	/nfs/dbraw/zinc/24/68/51/817246851.db2.gz	NFDCVOXGDPYLTK-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(F)c1	ZINC001226007903	817247156	/nfs/dbraw/zinc/24/71/56/817247156.db2.gz	BKTIDUAQEWFASM-MRVPVSSYSA-N	-1	0	276.242	3.077	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009152	817248013	/nfs/dbraw/zinc/24/80/13/817248013.db2.gz	TZSAUWYTJBFOGX-AWEZNQCLSA-N	-1	0	284.290	3.494	20	30		CGEDRM
N#C[C@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1F	ZINC001226116212	817276548	/nfs/dbraw/zinc/27/65/48/817276548.db2.gz	OTIFXIXRHHLLAE-ZNBBLSJYSA-N	-1	0	270.263	3.277	20	30		CGEDRM
CCC[C@H](C#Cc1ccccc1)Oc1nc(C)cc(=O)[n-]1	ZINC001226159355	817288815	/nfs/dbraw/zinc/28/88/15/817288815.db2.gz	KXHCMGWZGFOHTA-OAHLLOKOSA-N	-1	0	282.343	3.090	20	30		CGEDRM
C[C@@H](Oc1nccc(/C=N/O)n1)c1cccc(Cl)c1	ZINC001226256667	817312927	/nfs/dbraw/zinc/31/29/27/817312927.db2.gz	UYRRPQZZGRPJFJ-PTPOTIKZSA-N	-1	0	277.711	3.078	20	30		CGEDRM
CCCCCCC[C@H](C)Oc1[n-]c(=O)nc2nccnc21	ZINC001226991003	817527535	/nfs/dbraw/zinc/52/75/35/817527535.db2.gz	CVIDBNZWNJJOJQ-NSHDSACASA-N	-1	0	290.367	3.253	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1cc(C)cc(C(=O)[O-])c1	ZINC001243179498	823275742	/nfs/dbraw/zinc/27/57/42/823275742.db2.gz	WXRRPCWTVOMEDJ-UHFFFAOYSA-N	-1	0	293.326	3.291	20	30		CGEDRM
N#C[C@H](Oc1[n-]c(=O)nc2sccc21)c1ccccc1	ZINC001227843068	817731523	/nfs/dbraw/zinc/73/15/23/817731523.db2.gz	LIZZTLPZCMFKPV-NSHDSACASA-N	-1	0	283.312	3.041	20	30		CGEDRM
CCc1nnc(-c2ccc(C)c(C(=O)[O-])c2)c(C#N)c1CC	ZINC001243194517	823284158	/nfs/dbraw/zinc/28/41/58/823284158.db2.gz	JUOOKMRBTOPZAB-UHFFFAOYSA-N	-1	0	295.342	3.147	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243194559	823284203	/nfs/dbraw/zinc/28/42/03/823284203.db2.gz	CMLHQLAVNXEHOH-UHFFFAOYSA-N	-1	0	284.315	3.023	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cnc2[nH]cc(C#N)c2c1	ZINC001243205019	823290466	/nfs/dbraw/zinc/29/04/66/823290466.db2.gz	DGLXMTXCOSHYFP-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
CCCCCCCC[C@@H](C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310159	817872195	/nfs/dbraw/zinc/87/21/95/817872195.db2.gz	CMRKGHQTPQKRIZ-LLVKDONJSA-N	-1	0	283.372	3.109	20	30		CGEDRM
Cc1cc(-c2[nH]ccc3ncc(C#N)c2-3)ccc1C(=O)[O-]	ZINC001243213328	823295149	/nfs/dbraw/zinc/29/51/49/823295149.db2.gz	ZKFNCIRTNVZSLN-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc(Cl)cc(C(=O)[O-])c3)ccc12	ZINC001243323444	823347494	/nfs/dbraw/zinc/34/74/94/823347494.db2.gz	VNCGGNDSHRKSIW-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243325695	823348891	/nfs/dbraw/zinc/34/88/91/823348891.db2.gz	ROJHNDIVYQSFBZ-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
C=C[C@]1(C)CC[C@H](Oc2n[n-]c(=O)cc2Cl)C(C)(C)O1	ZINC001233590317	818650491	/nfs/dbraw/zinc/65/04/91/818650491.db2.gz	PBNRXNRYCSIYFS-IINYFYTJSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C#C[C@@H](CCCCC)Oc1ccc2c(c1)C(=O)CO2	ZINC001233677017	818676824	/nfs/dbraw/zinc/67/68/24/818676824.db2.gz	DANJUELWKMPDLI-LBPRGKRZSA-N	-1	0	258.317	3.223	20	30		CGEDRM
C=CC[C@H](C=C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832679	818714832	/nfs/dbraw/zinc/71/48/32/818714832.db2.gz	DQFLPDGVFCURPA-NSHDSACASA-N	-1	0	258.273	3.008	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccc([O-])c(F)c2F)cc1F	ZINC001243342974	823358914	/nfs/dbraw/zinc/35/89/14/823358914.db2.gz	SJZQIQRIGYUFIV-UHFFFAOYSA-N	-1	0	267.181	3.487	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)C	ZINC001234512215	818870595	/nfs/dbraw/zinc/87/05/95/818870595.db2.gz	BHJDTLFTCMUSDB-GFCCVEGCSA-N	-1	0	271.320	3.020	20	30		CGEDRM
Cc1ccc(C#N)c(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235985986	819259976	/nfs/dbraw/zinc/25/99/76/819259976.db2.gz	OZKPBQJKPWJOSJ-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1cc(C#N)cc(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235994509	819263873	/nfs/dbraw/zinc/26/38/73/819263873.db2.gz	SEWIVDBXCSAWTO-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Nc1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001236314627	819420822	/nfs/dbraw/zinc/42/08/22/819420822.db2.gz	CSXZJOGSJYMRIL-KPSZGOFPSA-N	-1	0	281.237	3.158	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)cc(F)c1[O-])CCC2	ZINC001243502378	823421943	/nfs/dbraw/zinc/42/19/43/823421943.db2.gz	VAIUDLUABQOGKG-UHFFFAOYSA-N	-1	0	272.254	3.093	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)cc1C#N	ZINC001243578464	823453009	/nfs/dbraw/zinc/45/30/09/823453009.db2.gz	PTYLHROLHXJIDM-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(Cl)c([O-])c2)c1	ZINC001243584904	823456036	/nfs/dbraw/zinc/45/60/36/823456036.db2.gz	ZVCWVMBCEXCMLA-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
N#CCOc1ccc(-c2ccccc2/C=C/C(=O)[O-])cc1	ZINC001243592515	823459883	/nfs/dbraw/zinc/45/98/83/823459883.db2.gz	UTWFSGDJXLCAEZ-JXMROGBWSA-N	-1	0	279.295	3.354	20	30		CGEDRM
N#CCc1cc(F)cc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239275209	820250011	/nfs/dbraw/zinc/25/00/11/820250011.db2.gz	NWLKJIYZMCXHRP-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)ccc1[O-])CCCC2	ZINC001240695322	821250753	/nfs/dbraw/zinc/25/07/53/821250753.db2.gz	HLLWIYTUCZOTMZ-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
COc1cc(-c2ccc(/C=N/O)c(F)c2)ccc1C(=O)[O-]	ZINC001240745514	821296347	/nfs/dbraw/zinc/29/63/47/821296347.db2.gz	BZYXTVSVBRYSPR-CAOOACKPSA-N	-1	0	289.262	3.008	20	30		CGEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])s2)cc1C(F)(F)F	ZINC001240843668	821364752	/nfs/dbraw/zinc/36/47/52/821364752.db2.gz	YBQQIPZKTKESNY-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#Cc1cc2cc(-c3ccc(C(=O)[O-])s3)ccc2[nH]1	ZINC001240847045	821367153	/nfs/dbraw/zinc/36/71/53/821367153.db2.gz	KYLVVOXLJZCERG-UHFFFAOYSA-N	-1	0	268.297	3.466	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])s2)ccc1CC#N	ZINC001240848841	821370131	/nfs/dbraw/zinc/37/01/31/821370131.db2.gz	ZVAAPPYWESZHGM-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#Cc1c2ccccc2cnc1-c1ccc(CC(=O)[O-])cc1	ZINC001240972865	821457304	/nfs/dbraw/zinc/45/73/04/821457304.db2.gz	VFVRHKQMQLVEAL-UHFFFAOYSA-N	-1	0	288.306	3.401	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(CC(=O)[O-])cc3)nc2)CCC1	ZINC001240972921	821457707	/nfs/dbraw/zinc/45/77/07/821457707.db2.gz	WQPRJOBDMFCRMU-UHFFFAOYSA-N	-1	0	292.338	3.321	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc(CC(=O)[O-])cc1)CCCC2	ZINC001240973698	821458483	/nfs/dbraw/zinc/45/84/83/821458483.db2.gz	PWDHDBSNWHSLSH-UHFFFAOYSA-N	-1	0	292.338	3.126	20	30		CGEDRM
N#CCc1cc(F)ccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240976303	821459824	/nfs/dbraw/zinc/45/98/24/821459824.db2.gz	YANLJDGWNGZTBD-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
COc1ccc(-c2cc(C(=O)[O-])ccc2C)cc1CC#N	ZINC001241000440	821478654	/nfs/dbraw/zinc/47/86/54/821478654.db2.gz	GBGSNLFDGKUSLM-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM
CO/N=C/c1cc(-c2cc(C(=O)[O-])ccc2C)ccc1F	ZINC001241005714	821484251	/nfs/dbraw/zinc/48/42/51/821484251.db2.gz	PWKYUTMAQASKHR-GIJQJNRQSA-N	-1	0	287.290	3.480	20	30		CGEDRM
O=C([O-])c1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1F	ZINC001241188201	821624747	/nfs/dbraw/zinc/62/47/47/821624747.db2.gz	VCJGVYURARRNAW-SDXDJHTJSA-N	-1	0	285.274	3.315	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(F)c(C(=O)[O-])c1)CCCC2	ZINC001241242374	821663683	/nfs/dbraw/zinc/66/36/83/821663683.db2.gz	HNXGOOZSCJTLGP-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241346624	821750972	/nfs/dbraw/zinc/75/09/72/821750972.db2.gz	GMSUJIUDOOEBHJ-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1cnc(-c2cccc(C(=O)[O-])c2)c2ccccc12	ZINC001241356865	821757767	/nfs/dbraw/zinc/75/77/67/821757767.db2.gz	ISHNZNFABPEQKE-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
CC[C@H](C#N)c1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241804181	822152389	/nfs/dbraw/zinc/15/23/89/822152389.db2.gz	HOCDYUFBJUPPDW-LLVKDONJSA-N	-1	0	266.300	3.464	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cc(F)cc(C(=O)[O-])c2)c1F	ZINC001241835155	822170338	/nfs/dbraw/zinc/17/03/38/822170338.db2.gz	CWLYIHLQOBQOBJ-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
COc1ccc(-c2cccc(F)c2CC#N)cc1C(=O)[O-]	ZINC001241880741	822191222	/nfs/dbraw/zinc/19/12/22/822191222.db2.gz	FPANTEQKCYSKES-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1[O-]	ZINC001242216329	822914130	/nfs/dbraw/zinc/91/41/30/822914130.db2.gz	JALYPABIUAEHLF-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(F)cc1[O-])CCCC2	ZINC001242217850	822914873	/nfs/dbraw/zinc/91/48/73/822914873.db2.gz	LPLYGYLUOVVMGC-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
CO/N=C/c1cc(-c2cccc(CC(=O)[O-])c2)ccc1F	ZINC001242265493	822931142	/nfs/dbraw/zinc/93/11/42/822931142.db2.gz	FNRNQPQWOBNGGF-VCHYOVAHSA-N	-1	0	287.290	3.100	20	30		CGEDRM
COc1nc(-c2cccc(Cl)c2[O-])c(F)cc1C#N	ZINC001242365250	822967961	/nfs/dbraw/zinc/96/79/61/822967961.db2.gz	RQOVTCXFNCSGSY-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
C=CCNC(=O)c1cccnc1-c1cccc(Cl)c1[O-]	ZINC001242364677	822968385	/nfs/dbraw/zinc/96/83/85/822968385.db2.gz	JNRHHUPOTYZPQS-UHFFFAOYSA-N	-1	0	288.734	3.023	20	30		CGEDRM
N#CCCOc1ccc(-c2cccc(C(=O)[O-])c2F)cc1	ZINC001242379839	822974408	/nfs/dbraw/zinc/97/44/08/822974408.db2.gz	PFXKYENQYFGQAG-UHFFFAOYSA-N	-1	0	285.274	3.483	20	30		CGEDRM
O=C([O-])c1cccc(-c2ccc3c(c2)CC/C3=N/O)c1F	ZINC001242381215	822975528	/nfs/dbraw/zinc/97/55/28/822975528.db2.gz	LUZQVSLLOKQPJQ-JXAWBTAJSA-N	-1	0	285.274	3.315	20	30		CGEDRM
C=CC[C@@H](NC(=O)[C@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC001339861070	936388268	/nfs/dbraw/zinc/38/82/68/936388268.db2.gz	DVHMRWRREYKVIE-ZIAGYGMSSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048505721	927205865	/nfs/dbraw/zinc/20/58/65/927205865.db2.gz	DBTYZRFELABWLW-UHFFFAOYSA-N	-1	0	269.366	3.221	20	30		CGEDRM
C=CCOc1cccc(NC(=O)c2cccc(F)c2[O-])c1	ZINC001356050982	937152159	/nfs/dbraw/zinc/15/21/59/937152159.db2.gz	DAIPICWXTCRRPG-UHFFFAOYSA-N	-1	0	287.290	3.348	20	30		CGEDRM
C#C[C@H](CC)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001448962590	937377220	/nfs/dbraw/zinc/37/72/20/937377220.db2.gz	LEXCRAKFJLGVMA-SNVBAGLBSA-N	-1	0	287.746	3.340	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000315045466	932030469	/nfs/dbraw/zinc/03/04/69/932030469.db2.gz	BRYQHIHWQZLXCP-ZDUSSCGKSA-N	-1	0	296.411	3.018	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)ccc1C#N	ZINC001228900066	932047885	/nfs/dbraw/zinc/04/78/85/932047885.db2.gz	BWXBOURMPVOYRK-UBHSHLNASA-N	-1	0	272.348	3.419	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)ccc1C#N	ZINC001228900064	932048269	/nfs/dbraw/zinc/04/82/69/932048269.db2.gz	BWXBOURMPVOYRK-KWCYVHTRSA-N	-1	0	272.348	3.419	20	30		CGEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1ccc([S-])cc1C	ZINC001229633929	932181420	/nfs/dbraw/zinc/18/14/20/932181420.db2.gz	CUGWMNHYIPFLJX-LLVKDONJSA-N	-1	0	266.362	3.170	20	30		CGEDRM
C#C[C@@H](Oc1nc2cc(Cl)[n-]c(Cl)c-2n1)C(C)C	ZINC001231047647	932666245	/nfs/dbraw/zinc/66/62/45/932666245.db2.gz	AJJZTSPJMCWARX-MRVPVSSYSA-N	-1	0	284.146	3.301	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1cccc2oc(=S)[n-]c21	ZINC001231066622	932671195	/nfs/dbraw/zinc/67/11/95/932671195.db2.gz	ZAEARTPAIZKXEE-VHSXEESVSA-N	-1	0	259.330	3.297	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3cccnc3c2)c1	ZINC001466537738	937709762	/nfs/dbraw/zinc/70/97/62/937709762.db2.gz	ARCDZCLWBWHXRY-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)c2cc3ccccc3o2)c1	ZINC001471086090	937761630	/nfs/dbraw/zinc/76/16/30/937761630.db2.gz	ODDHCVRAKZIISR-UHFFFAOYSA-N	-1	0	278.267	3.028	20	30		CGEDRM
CC(=NOC(C)(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC001324258742	934477411	/nfs/dbraw/zinc/47/74/11/934477411.db2.gz	OQLQYNHKHDELAJ-MNOVXSKESA-N	-1	0	255.358	3.314	20	30		CGEDRM
CCCCCCC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001544952508	938147950	/nfs/dbraw/zinc/14/79/50/938147950.db2.gz	BXOLVYCCPCQVTM-NSHDSACASA-N	-1	0	281.400	3.150	20	30		CGEDRM
C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1c([O-])cccc1F	ZINC001557130424	938207998	/nfs/dbraw/zinc/20/79/98/938207998.db2.gz	YYLAPWCUQXEXAN-LLVKDONJSA-N	-1	0	298.317	3.236	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CCCCC1	ZINC001602717637	971370310	/nfs/dbraw/zinc/37/03/10/971370310.db2.gz	VJTBPDRYXUOTCB-ZIAGYGMSSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=CCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001602719182	971382482	/nfs/dbraw/zinc/38/24/82/971382482.db2.gz	VKMSYHSGKDGQPF-UHFFFAOYSA-N	-1	0	271.675	3.082	20	30		CGEDRM
C=CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000380159126	971682036	/nfs/dbraw/zinc/68/20/36/971682036.db2.gz	ZDEGYPVEZWMCII-UHFFFAOYSA-N	-1	0	280.299	3.002	20	30		CGEDRM
N#C[C@H]1CCC[C@@H](OC(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001594606108	956177488	/nfs/dbraw/zinc/17/74/88/956177488.db2.gz	QHIFGZNWPOELDS-QWHCGFSZSA-N	-1	0	293.363	3.037	20	30		CGEDRM
N#Cc1cccnc1Oc1ccc(C(=O)[O-])cc1Cl	ZINC000048803745	957460909	/nfs/dbraw/zinc/46/09/09/957460909.db2.gz	PEBZDUFSABMIEB-UHFFFAOYSA-N	-1	0	274.663	3.097	20	30		CGEDRM
N#Cc1ccccc1Oc1nc(Cl)c(C(=O)[O-])s1	ZINC000129046131	958689612	/nfs/dbraw/zinc/68/96/12/958689612.db2.gz	FMCNBBNUFNMYEE-UHFFFAOYSA-N	-1	0	280.692	3.159	20	30		CGEDRM
N#Cc1cccc2c1CCN2C(=O)c1c([O-])cccc1Cl	ZINC001162450952	958837205	/nfs/dbraw/zinc/83/72/05/958837205.db2.gz	IPOQVIPEYPEQKJ-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
CCCCCCCCCC(=O)Nc1cc(C(=O)[O-])no1	ZINC001595705175	960536902	/nfs/dbraw/zinc/53/69/02/960536902.db2.gz	QUXJXKTYDKVIOH-UHFFFAOYSA-N	-1	0	282.340	3.452	20	30		CGEDRM
C=CCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl	ZINC001602860607	960552542	/nfs/dbraw/zinc/55/25/42/960552542.db2.gz	JBSOGFQMVDBYFC-CYBMUJFWSA-N	-1	0	282.723	3.365	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(C)c2)CCCC1	ZINC001583408672	962799671	/nfs/dbraw/zinc/79/96/71/962799671.db2.gz	PPCWSCLKJUWQTR-CQSZACIVSA-N	-1	0	273.376	3.429	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](OCCC)c1ccc(F)cc1C	ZINC001583413149	962812152	/nfs/dbraw/zinc/81/21/52/962812152.db2.gz	RGBASHDNKJNQSV-DOMZBBRYSA-N	-1	0	295.354	3.224	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CC)c1ccc(C)c(F)c1	ZINC001573336798	962860787	/nfs/dbraw/zinc/86/07/87/962860787.db2.gz	GTFZDXUCSBLUGW-AWEZNQCLSA-N	-1	0	293.338	3.122	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1	ZINC001573346594	962940758	/nfs/dbraw/zinc/94/07/58/962940758.db2.gz	DMHGBCZQJKCVBH-GFCCVEGCSA-N	-1	0	296.326	3.078	20	30		CGEDRM
C#C[C@](C)(CC)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC001588367333	963267667	/nfs/dbraw/zinc/26/76/67/963267667.db2.gz	QFOOEAHCKLERKO-TZMCWYRMSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C=C(C)CCOc1c(-c2nn[nH]n2)cnc2ccc(C)cc21	ZINC001588424388	963271431	/nfs/dbraw/zinc/27/14/31/963271431.db2.gz	IIYYVABTTYHHFU-UHFFFAOYSA-N	-1	0	295.346	3.068	20	30		CGEDRM
C#C[C@@](C)(CC)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC001588367331	963272800	/nfs/dbraw/zinc/27/28/00/963272800.db2.gz	QFOOEAHCKLERKO-OCCSQVGLSA-N	-1	0	299.292	3.223	20	30		CGEDRM
C=CC1(CC(=O)Nc2cc(C(=O)[O-])ccn2)CCCCC1	ZINC001588452197	963277498	/nfs/dbraw/zinc/27/74/98/963277498.db2.gz	KZCHVZGYZPFFON-UHFFFAOYSA-N	-1	0	288.347	3.245	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)OCc1cccc(C(=O)[O-])c1	ZINC001588529777	963278263	/nfs/dbraw/zinc/27/82/63/963278263.db2.gz	FYCBLRJWOUKVQO-UHFFFAOYSA-N	-1	0	262.305	3.030	20	30		CGEDRM
C=CCC[C@H](C(=O)N(C)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC001588457155	963278542	/nfs/dbraw/zinc/27/85/42/963278542.db2.gz	NELGKRHMLOGHDM-LSDHHAIUSA-N	-1	0	289.375	3.058	20	30		CGEDRM
C=C(C)C(C)(C)c1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC001588530162	963279219	/nfs/dbraw/zinc/27/92/19/963279219.db2.gz	SKQZLDVKLOTEMK-UHFFFAOYSA-N	-1	0	272.304	3.289	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(O[C@@H](C)CC)c1	ZINC001588633637	963289282	/nfs/dbraw/zinc/28/92/82/963289282.db2.gz	LFAPXCFHOPTAPB-LBPRGKRZSA-N	-1	0	291.347	3.223	20	30		CGEDRM
C=C1CCC(C(=O)NC2(C(=O)[O-])CCCCCC2)CC1	ZINC001588644267	963299019	/nfs/dbraw/zinc/29/90/19/963299019.db2.gz	MFGGQECKDODJNH-UHFFFAOYSA-N	-1	0	279.380	3.027	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC001588690664	963301225	/nfs/dbraw/zinc/30/12/25/963301225.db2.gz	HMQHKAKTUPWIQL-HIFRSBDPSA-N	-1	0	289.375	3.485	20	30		CGEDRM
C=C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-]	ZINC001588714354	963304284	/nfs/dbraw/zinc/30/42/84/963304284.db2.gz	GACLVPPUPGHCSO-SECBINFHSA-N	-1	0	296.735	3.121	20	30		CGEDRM
C=C[C@H](OC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1	ZINC001588712330	963306438	/nfs/dbraw/zinc/30/64/38/963306438.db2.gz	JCASATOAFJJNCK-LBPRGKRZSA-N	-1	0	286.283	3.370	20	30		CGEDRM
C=C[C@H](CC)CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1	ZINC001588693345	963306479	/nfs/dbraw/zinc/30/64/79/963306479.db2.gz	WTTDEZCWNSZXPC-NXEZZACHSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CC[C@H](SC[C@H]1OCCc2ccccc21)C(=O)[O-]	ZINC001588758388	963308397	/nfs/dbraw/zinc/30/83/97/963308397.db2.gz	FNUORNCAAHUUGS-KGLIPLIRSA-N	-1	0	278.373	3.063	20	30		CGEDRM
C=CCC1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCC1	ZINC001588771036	963316217	/nfs/dbraw/zinc/31/62/17/963316217.db2.gz	MPYJLFDDDPHNDR-UHFFFAOYSA-N	-1	0	284.315	3.433	20	30		CGEDRM
C=CCCCCCCNC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588798370	963323430	/nfs/dbraw/zinc/32/34/30/963323430.db2.gz	CLECTZCZEYIHSN-UHFFFAOYSA-N	-1	0	291.351	3.038	20	30		CGEDRM
C=CCCCCNC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000312776075	963591309	/nfs/dbraw/zinc/59/13/09/963591309.db2.gz	MLPWPVOMVSVWTN-UHFFFAOYSA-N	-1	0	280.299	3.002	20	30		CGEDRM
CC(C)(C(=O)[O-])c1ccc(NCC2(CC#N)CC2)cc1	ZINC001589641589	964012144	/nfs/dbraw/zinc/01/21/44/964012144.db2.gz	YXVMONHKFOSYJU-UHFFFAOYSA-N	-1	0	272.348	3.155	20	30		CGEDRM
C#Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC001588438941	964026138	/nfs/dbraw/zinc/02/61/38/964026138.db2.gz	KMOIXOBXLVZFRA-UHFFFAOYSA-N	-1	0	299.713	3.272	20	30		CGEDRM
C#CCCCCC(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-]	ZINC001588440926	964047658	/nfs/dbraw/zinc/04/76/58/964047658.db2.gz	YUFPYRJVRXHYHA-UHFFFAOYSA-N	-1	0	293.750	3.479	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000393735642	972634120	/nfs/dbraw/zinc/63/41/20/972634120.db2.gz	IYVNMOSDOGFRAK-VIFPVBQESA-N	-1	0	280.299	3.000	20	30		CGEDRM
C[C@H](CCC#N)CNc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC001592471594	978233256	/nfs/dbraw/zinc/23/32/56/978233256.db2.gz	UELQZVJSKCKKMM-CHWSQXEVSA-N	-1	0	274.364	3.302	20	30		CGEDRM
CC[C@H]1C[C@H](CN=Nc2cccc(C(=O)[O-])c2F)CCO1	ZINC001595409304	981006960	/nfs/dbraw/zinc/00/69/60/981006960.db2.gz	VYJMCWSBZNVEPZ-MNOVXSKESA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCCC[C@@H](Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-]	ZINC001595645307	981988257	/nfs/dbraw/zinc/98/82/57/981988257.db2.gz	HNLJWRKQWFTRED-WCQYABFASA-N	-1	0	276.336	3.033	20	30		CGEDRM
CCO[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001596853813	985595565	/nfs/dbraw/zinc/59/55/65/985595565.db2.gz	ZIYRIAXBWOVXJK-CYBMUJFWSA-N	-1	0	296.754	3.395	20	30		CGEDRM
Cc1c(C#N)cccc1C(=O)O[C@H](C)c1cc(C(=O)[O-])co1	ZINC001599972946	986038398	/nfs/dbraw/zinc/03/83/98/986038398.db2.gz	CUTQXVVNZYEVAS-SNVBAGLBSA-N	-1	0	299.282	3.076	20	30		CGEDRM
CCC(C#N)(CC)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC001594722109	987208780	/nfs/dbraw/zinc/20/87/80/987208780.db2.gz	ISBDQFHJFPNMPK-JTQLQIEISA-N	-1	0	293.319	3.220	20	30		CGEDRM
CCc1cc(C#N)c(NC(=O)CC(C)(C)CC(=O)[O-])s1	ZINC001597423592	987745050	/nfs/dbraw/zinc/74/50/50/987745050.db2.gz	FKNVUVBAAPRWSI-UHFFFAOYSA-N	-1	0	294.376	3.012	20	30		CGEDRM
C[C@H](S[C@@H](C#N)c1ccc(Cl)cc1)C(=O)[O-]	ZINC001593656105	996022355	/nfs/dbraw/zinc/02/23/55/996022355.db2.gz	QXFJNOXTOHCMDR-XVKPBYJWSA-N	-1	0	255.726	3.111	20	30		CGEDRM
C[C@H](Sc1ccccc1C#N)c1nc(C(=O)[O-])co1	ZINC001593667172	996056230	/nfs/dbraw/zinc/05/62/30/996056230.db2.gz	BWOHAGOZNPXTOG-QMMMGPOBSA-N	-1	0	274.301	3.098	20	30		CGEDRM
CC1(C)CCCN(Cc2ccc(C(=O)[O-])cc2F)[C@H]1C#N	ZINC001593910093	996789645	/nfs/dbraw/zinc/78/96/45/996789645.db2.gz	BAQSSHWNXHDFPS-AWEZNQCLSA-N	-1	0	290.338	3.038	20	30		CGEDRM
C[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1F	ZINC001594357346	999351511	/nfs/dbraw/zinc/35/15/11/999351511.db2.gz	LUCNOYQSWOREJU-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
C[C@H]1CCCC[C@H]1CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001594367453	999388935	/nfs/dbraw/zinc/38/89/35/999388935.db2.gz	SXVCNUNKFRJHNO-RYUDHWBXSA-N	-1	0	287.363	3.280	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)o1	ZINC000353645624	529711173	/nfs/dbraw/zinc/71/11/73/529711173.db2.gz	PEPKONQBMYNEEG-JTQLQIEISA-N	-1	0	295.298	3.177	20	30		CGEDRM
Cc1ocnc1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000591862028	346943043	/nfs/dbraw/zinc/94/30/43/346943043.db2.gz	KARLXZPRFQFQHZ-GFCCVEGCSA-N	-1	0	277.283	3.021	20	30		CGEDRM
CC(C)(C)c1[n-]n(CC2=CCCC2)c(=O)c1CCC#N	ZINC000592357728	346978279	/nfs/dbraw/zinc/97/82/79/346978279.db2.gz	NUIREYLEBAJSPM-UHFFFAOYSA-N	-1	0	273.380	3.453	20	30		CGEDRM
CC(C)(C)c1ccc(C#N)c(NC2(CC(=O)[O-])CCC2)n1	ZINC000593326692	347063865	/nfs/dbraw/zinc/06/38/65/347063865.db2.gz	JGOYKMRONFCNQU-UHFFFAOYSA-N	-1	0	287.363	3.060	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097065500	345906778	/nfs/dbraw/zinc/90/67/78/345906778.db2.gz	MTMWWKNXFACEGS-KCJUWKMLSA-N	-1	0	298.264	3.242	20	30		CGEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)n1	ZINC000338178105	346499961	/nfs/dbraw/zinc/49/99/61/346499961.db2.gz	DXDCHMMSZYJNTR-NSHDSACASA-N	-1	0	293.351	3.490	20	30		CGEDRM
C[C@H]1CC(CCNc2nc(C#N)c(Cl)s2)C[C@H](C)O1	ZINC000596227560	347401217	/nfs/dbraw/zinc/40/12/17/347401217.db2.gz	QVIUZZAKCCMVKX-IUCAKERBSA-N	-1	0	299.827	3.096	20	30		CGEDRM
N#C[C@@H](Sc1n[n-]c(=Nc2ccccc2)s1)C1CC1	ZINC000601072522	347863478	/nfs/dbraw/zinc/86/34/78/347863478.db2.gz	LYZZLVUKHIYWDQ-LLVKDONJSA-N	-1	0	288.401	3.098	20	30		CGEDRM
Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1CCC#N	ZINC000603923437	348102922	/nfs/dbraw/zinc/10/29/22/348102922.db2.gz	JCIHDOQNBXYULU-GFCCVEGCSA-N	-1	0	295.264	3.348	20	30		CGEDRM
C[C@H](N=c1[n-]c(-c2ccccc2)no1)c1ccc(C#N)cc1	ZINC000608831086	348332414	/nfs/dbraw/zinc/33/24/14/348332414.db2.gz	STSWNBBSHFMGHI-LBPRGKRZSA-N	-1	0	290.326	3.203	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630325060	350824151	/nfs/dbraw/zinc/82/41/51/350824151.db2.gz	GWURIHQBIJVZAK-HIFRSBDPSA-N	-1	0	289.375	3.106	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C)s1	ZINC000032531942	368933745	/nfs/dbraw/zinc/93/37/45/368933745.db2.gz	QXHPFYOHCLKGHH-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
N#CC(=C([O-])c1ccoc1)c1nc2ccccc2s1	ZINC000041501725	369188243	/nfs/dbraw/zinc/18/82/43/369188243.db2.gz	QPJICZQQYOBWLN-JTQLQIEISA-N	-1	0	268.297	3.379	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000112483366	370428532	/nfs/dbraw/zinc/42/85/32/370428532.db2.gz	KFQZSDUUVIWVEU-MRVPVSSYSA-N	-1	0	278.358	3.257	20	30		CGEDRM
C=CCC1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCCCC1	ZINC000451731615	374206731	/nfs/dbraw/zinc/20/67/31/374206731.db2.gz	YTNWLBSQXOJFRM-UHFFFAOYSA-N	-1	0	298.390	3.046	20	30		CGEDRM
CCC(CC)(CNc1nc(C)c(C#N)cc1Cl)C(=O)[O-]	ZINC000313058739	374298792	/nfs/dbraw/zinc/29/87/92/374298792.db2.gz	IGNJKWZCGBZNOV-UHFFFAOYSA-N	-1	0	295.770	3.218	20	30		CGEDRM
CCOc1cc(C)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188340811	375198688	/nfs/dbraw/zinc/19/86/88/375198688.db2.gz	MFQUOZLSBPXNQH-UHFFFAOYSA-N	-1	0	296.326	3.223	20	30		CGEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000336150824	375730255	/nfs/dbraw/zinc/73/02/55/375730255.db2.gz	BXKNCRCGVDHBBP-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C[C@H](CC#N)N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1	ZINC000561678186	377238135	/nfs/dbraw/zinc/23/81/35/377238135.db2.gz	MHWAAJJQYQLJOX-SSDOTTSWSA-N	-1	0	297.145	3.179	20	30		CGEDRM
Cc1coc(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000342449386	377648929	/nfs/dbraw/zinc/64/89/29/377648929.db2.gz	QWURHNQKSLZWHB-LBPRGKRZSA-N	-1	0	293.326	3.273	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000344082956	378159049	/nfs/dbraw/zinc/15/90/49/378159049.db2.gz	IWSNVDVNCUDYIB-CYBMUJFWSA-N	-1	0	293.417	3.229	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362132955	381885649	/nfs/dbraw/zinc/88/56/49/381885649.db2.gz	FSMIQVWHIXJXMQ-NSHDSACASA-N	-1	0	294.232	3.492	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000263302672	131289665	/nfs/dbraw/zinc/28/96/65/131289665.db2.gz	UXETUOANHQHNHQ-CXAGYDPISA-N	-1	0	289.375	3.095	20	30		CGEDRM
C[C@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCS1	ZINC000121016517	392407068	/nfs/dbraw/zinc/40/70/68/392407068.db2.gz	SDBNAEPXPYCIIC-SJWLEHQBSA-N	-1	0	280.349	3.005	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647373814	392710215	/nfs/dbraw/zinc/71/02/15/392710215.db2.gz	PDXXWORKHMGJKY-LLVKDONJSA-N	-1	0	272.329	3.412	20	30		CGEDRM
C=C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1	ZINC000427161104	393454164	/nfs/dbraw/zinc/45/41/64/393454164.db2.gz	DYHORBGRLFWSEL-SSDOTTSWSA-N	-1	0	281.768	3.096	20	30		CGEDRM
COC(C)(C)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000344463213	225065765	/nfs/dbraw/zinc/06/57/65/225065765.db2.gz	NCLUPISBKARLTE-UHFFFAOYSA-N	-1	0	293.411	3.157	20	30		CGEDRM
C=CCC1(C(=O)N=c2ccc(C3CC3)n[n-]2)CCCCC1	ZINC000575228323	335084528	/nfs/dbraw/zinc/08/45/28/335084528.db2.gz	LTHPRAQYZXIYMY-UHFFFAOYSA-N	-1	0	285.391	3.241	20	30		CGEDRM
C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1	ZINC000076755575	260166776	/nfs/dbraw/zinc/16/67/76/260166776.db2.gz	JYRJQAULDLGGAR-NEPJUHHUSA-N	-1	0	281.377	3.158	20	30		CGEDRM
N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1ccccn1	ZINC000108624508	262055978	/nfs/dbraw/zinc/05/59/78/262055978.db2.gz	DIUHSUAZPZARJL-NSHDSACASA-N	-1	0	295.323	3.288	20	30		CGEDRM
Cc1cccc2cc(C([O-])=C(C#N)c3ccncn3)oc21	ZINC000354481804	262265760	/nfs/dbraw/zinc/26/57/60/262265760.db2.gz	YPNUHKASPDJRMH-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2sc(C)nc2C)n1	ZINC000041520886	263286914	/nfs/dbraw/zinc/28/69/14/263286914.db2.gz	GUEKHKOOTWAJFR-VIFPVBQESA-N	-1	0	277.374	3.015	20	30		CGEDRM
C[C@@H](CC(C)(C)O)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000331315272	264187739	/nfs/dbraw/zinc/18/77/39/264187739.db2.gz	CUPXJBIBHAJPIW-ZETCQYMHSA-N	-1	0	289.734	3.039	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/c1ccc(C#N)cn1	ZINC000530370556	269989251	/nfs/dbraw/zinc/98/92/51/269989251.db2.gz	WYYAFILRUGJLKL-GQCTYLIASA-N	-1	0	278.311	3.439	20	30		CGEDRM
Cc1c(C(=O)[O-])cccc1-c1cc(C#N)ccc1F	ZINC000065350540	300947421	/nfs/dbraw/zinc/94/74/21/300947421.db2.gz	WXOOIUDPUFMPQA-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
CC[C@@H](CC#N)NCc1cc(O)cc(C(F)(F)F)c1	ZINC000290972761	328261359	/nfs/dbraw/zinc/26/13/59/328261359.db2.gz	XOYXEPGEBPMLAV-NSHDSACASA-N	-1	0	272.270	3.193	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@H](CCC)c1ccccc1)C(=O)[O-]	ZINC000262953579	330037586	/nfs/dbraw/zinc/03/75/86/330037586.db2.gz	QWTBRNOSPZZKMC-CABCVRRESA-N	-1	0	289.375	3.106	20	30		CGEDRM
CC(C)(C)CN(CCC#N)Cc1ccc(C(=O)[O-])cc1	ZINC000263509615	330058322	/nfs/dbraw/zinc/05/83/22/330058322.db2.gz	YIJQWKRAPHLUAP-UHFFFAOYSA-N	-1	0	274.364	3.147	20	30		CGEDRM
C=CCCCCNC(=O)N=c1[n-]nc(C(CC)CC)s1	ZINC000473488584	331552026	/nfs/dbraw/zinc/55/20/26/331552026.db2.gz	NUUYDAUCGIJAFP-UHFFFAOYSA-N	-1	0	296.440	3.341	20	30		CGEDRM
COc1cc(C)sc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000114048790	533711648	/nfs/dbraw/zinc/71/16/48/533711648.db2.gz	SKQGLUVTVPFZLX-SECBINFHSA-N	-1	0	292.385	3.320	20	30		CGEDRM
C#C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1	ZINC000491639514	332259633	/nfs/dbraw/zinc/25/96/33/332259633.db2.gz	WRVVNYSOTJRKHX-ZNBBLSJYSA-N	-1	0	298.273	3.233	20	30		CGEDRM
C=CCN=c1[n-]nc(SCCCc2ccsc2)s1	ZINC000541173225	333764203	/nfs/dbraw/zinc/76/42/03/333764203.db2.gz	OCWHUCZXJGLDEW-UHFFFAOYSA-N	-1	0	297.474	3.344	20	30		CGEDRM
C[C@@H](C#N)CNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000080032468	334165342	/nfs/dbraw/zinc/16/53/42/334165342.db2.gz	ABJLFNKLHUCMKZ-VIFPVBQESA-N	-1	0	288.734	3.088	20	30		CGEDRM
Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000576724884	335240534	/nfs/dbraw/zinc/24/05/34/335240534.db2.gz	LNSILEOJRQNUCE-LBPRGKRZSA-N	-1	0	298.346	3.003	20	30		CGEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2)ccc1CC#N	ZINC000579597982	335818002	/nfs/dbraw/zinc/81/80/02/335818002.db2.gz	MBUVKWAPOGHZHH-UHFFFAOYSA-N	-1	0	251.285	3.426	20	30		CGEDRM
CC(=Cc1cc(Cl)cs1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193608424	335978323	/nfs/dbraw/zinc/97/83/23/335978323.db2.gz	QMESPIYJGAMGAE-CLTKARDFSA-N	-1	0	291.763	3.225	20	30		CGEDRM
CCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000193611492	335978376	/nfs/dbraw/zinc/97/83/76/335978376.db2.gz	TZFREVOHTXUKAI-PKNBQFBNSA-N	-1	0	279.343	3.073	20	30		CGEDRM
C=C[C@@H](CC(=O)N[C@](C)(CCC)C(=O)[O-])c1ccccc1	ZINC000190706994	534515755	/nfs/dbraw/zinc/51/57/55/534515755.db2.gz	YZTDMHNLEAGBAN-SUMWQHHRSA-N	-1	0	289.375	3.106	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccccc2F)cs1	ZINC000730148879	571951753	/nfs/dbraw/zinc/95/17/53/571951753.db2.gz	OGFNIIZVDMKVDM-WAYWQWQTSA-N	-1	0	276.288	3.482	20	30		CGEDRM
Cc1cc(C)cc([C@@H](C)/N=C\c2c(O)c(C)ncc2CO)c1	ZINC000730434286	572353327	/nfs/dbraw/zinc/35/33/27/572353327.db2.gz	IQPZBKXDYUCZMO-HHGUGQKFSA-N	-1	0	298.386	3.385	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccsc2)s1	ZINC000730590686	572364993	/nfs/dbraw/zinc/36/49/93/572364993.db2.gz	RLHUOVVMHVFNFT-UPHRSURJSA-N	-1	0	264.327	3.404	20	30		CGEDRM
N#CC1(C(=O)Oc2ccc(NC(=O)[O-])cc2)CCCCC1	ZINC000738422218	572374178	/nfs/dbraw/zinc/37/41/78/572374178.db2.gz	JCPODKJBLVXGDE-UHFFFAOYSA-N	-1	0	288.303	3.156	20	30		CGEDRM
N#Cc1ccc(OCCOc2ccc(NC(=O)[O-])cc2)cc1	ZINC000738431137	572375438	/nfs/dbraw/zinc/37/54/38/572375438.db2.gz	PSZGHWAQBGBJKI-UHFFFAOYSA-N	-1	0	298.298	3.106	20	30		CGEDRM
C[C@@H](NC(=O)[O-])c1ccc(NCc2ccccc2C#N)cc1	ZINC000739018207	572398329	/nfs/dbraw/zinc/39/83/29/572398329.db2.gz	XTKZGLLLQFRRBG-GFCCVEGCSA-N	-1	0	295.342	3.499	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1	ZINC000739330748	572410770	/nfs/dbraw/zinc/41/07/70/572410770.db2.gz	NZUNUJYNTDGFAV-KGLIPLIRSA-N	-1	0	298.427	3.242	20	30		CGEDRM
N#Cc1ccccc1CNc1cc(NC(=O)[O-])ccc1F	ZINC000740323167	572440537	/nfs/dbraw/zinc/44/05/37/572440537.db2.gz	JPOIIGYNQOWCKE-UHFFFAOYSA-N	-1	0	285.278	3.399	20	30		CGEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cccc2ncccc12	ZINC000740620648	572448706	/nfs/dbraw/zinc/44/87/06/572448706.db2.gz	RREUTTFRXOWSQY-LLVKDONJSA-N	-1	0	298.346	3.070	20	30		CGEDRM
Cc1cc(O)c(C=NNc2ccccc2C(=O)[O-])cc1C	ZINC000741758665	572522899	/nfs/dbraw/zinc/52/28/99/572522899.db2.gz	FVYMDUGIPNRWJF-UHFFFAOYSA-N	-1	0	284.315	3.153	20	30		CGEDRM
C=C(C)CNc1nc(-c2[nH]c(C)c(C(=O)[O-])c2C)cs1	ZINC000736094385	572768347	/nfs/dbraw/zinc/76/83/47/572768347.db2.gz	DHMHMKFNBUOTBT-UHFFFAOYSA-N	-1	0	291.376	3.441	20	30		CGEDRM
C=CCn1c(C)cc(C(=O)CS[C@H](C)CC(=O)[O-])c1C	ZINC000736116957	572768882	/nfs/dbraw/zinc/76/88/82/572768882.db2.gz	GYFVPDTZWMGDKA-LLVKDONJSA-N	-1	0	295.404	3.070	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cn1	ZINC000158303404	598201654	/nfs/dbraw/zinc/20/16/54/598201654.db2.gz	MKFOBNFPPDBIPL-VOTSOKGWSA-N	-1	0	284.315	3.058	20	30		CGEDRM
CCCCCCCC(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000124624701	599721369	/nfs/dbraw/zinc/72/13/69/599721369.db2.gz	DWMNLADEPXCFCV-UHFFFAOYSA-N	-1	0	279.336	3.389	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccccc2C(F)(F)F)[n-]1	ZINC000899346064	620645363	/nfs/dbraw/zinc/64/53/63/620645363.db2.gz	AFTLAVDULOHHPQ-UHFFFAOYSA-N	-1	0	280.249	3.212	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000825671192	601126444	/nfs/dbraw/zinc/12/64/44/601126444.db2.gz	FAWCWBKQUUEGNH-UHFFFAOYSA-N	-1	0	253.323	3.050	20	30		CGEDRM
N#Cc1cccc(SCc2ccoc2C(=O)[O-])c1	ZINC000833075880	601319585	/nfs/dbraw/zinc/31/95/85/601319585.db2.gz	YHUPYSMUCFVIPU-UHFFFAOYSA-N	-1	0	259.286	3.142	20	30		CGEDRM
CCCCC[C@H](/N=C\c1ccc(OCC)cc1O)C(=O)[O-]	ZINC000829312752	601365780	/nfs/dbraw/zinc/36/57/80/601365780.db2.gz	ZZHQPVCMYLFHIA-FMNVXAMXSA-N	-1	0	293.363	3.243	20	30		CGEDRM
C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccc(C(=O)[O-])o1	ZINC000827809073	601462717	/nfs/dbraw/zinc/46/27/17/601462717.db2.gz	DDUNPGJIAJNPFL-JTQLQIEISA-N	-1	0	291.303	3.056	20	30		CGEDRM
C#CCCc1cc(=O)n(Cc2cc(Cl)ccc2Cl)[n-]1	ZINC000899354040	620650049	/nfs/dbraw/zinc/65/00/49/620650049.db2.gz	BOZAOKUMNXSGRK-UHFFFAOYSA-N	-1	0	295.169	3.495	20	30		CGEDRM
C#CCCCNC(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000823444034	603063718	/nfs/dbraw/zinc/06/37/18/603063718.db2.gz	BOYRXDKJZDIKLD-UHFFFAOYSA-N	-1	0	296.326	3.073	20	30		CGEDRM
O=C(/C=C/c1ccnn1C1CCC1)c1ccc(F)cc1[O-]	ZINC000899363190	620658568	/nfs/dbraw/zinc/65/85/68/620658568.db2.gz	HDUYTWHVVAYSRI-FNORWQNLSA-N	-1	0	286.306	3.349	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2ccc(F)cc2[O-])c(C2CC2)n1	ZINC000899363516	620658039	/nfs/dbraw/zinc/65/80/39/620658039.db2.gz	OWTVIGDAHPOVMQ-DAXSKMNVSA-N	-1	0	286.306	3.038	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c([O-])c1	ZINC000899362279	620669236	/nfs/dbraw/zinc/66/92/36/620669236.db2.gz	PCKZHGPSMCZJEQ-VMPITWQZSA-N	-1	0	298.342	3.218	20	30		CGEDRM
C#CCCCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825605818	604271898	/nfs/dbraw/zinc/27/18/98/604271898.db2.gz	QSITXWYXZBJEBM-UHFFFAOYSA-N	-1	0	296.710	3.162	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C)c(C(=O)[O-])c1)OCC	ZINC000833367596	604563324	/nfs/dbraw/zinc/56/33/24/604563324.db2.gz	OWUFTOUEDUPIIQ-AWEZNQCLSA-N	-1	0	291.347	3.003	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000104521239	604570075	/nfs/dbraw/zinc/57/00/75/604570075.db2.gz	IUEQJZDEQZNDPR-CYBMUJFWSA-N	-1	0	269.385	3.203	20	30		CGEDRM
CCC(CC)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833642726	604585331	/nfs/dbraw/zinc/58/53/31/604585331.db2.gz	RJHODTBFTMQVER-UHFFFAOYSA-N	-1	0	289.331	3.126	20	30		CGEDRM
CC1CCC([N@H+](C)Cc2cccc(C(=O)[O-])c2C#N)CC1	ZINC000833604314	604602060	/nfs/dbraw/zinc/60/20/60/604602060.db2.gz	QYXCCYLAZWFPSK-UHFFFAOYSA-N	-1	0	286.375	3.267	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C)c(C(=O)[O-])s1)OCC	ZINC000833366786	604606454	/nfs/dbraw/zinc/60/64/54/604606454.db2.gz	DDGAFFGNDURNKC-JTQLQIEISA-N	-1	0	297.376	3.065	20	30		CGEDRM
C=CCCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1	ZINC000128140072	605092692	/nfs/dbraw/zinc/09/26/92/605092692.db2.gz	VCXKQPGQPVIAST-UHFFFAOYSA-N	-1	0	298.136	3.052	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(C)oc1C	ZINC000812445146	605099189	/nfs/dbraw/zinc/09/91/89/605099189.db2.gz	RTUGWKRNTNBACO-UHFFFAOYSA-N	-1	0	272.304	3.431	20	30		CGEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000236446485	605214563	/nfs/dbraw/zinc/21/45/63/605214563.db2.gz	HYPQVUSXUMINOC-UHFFFAOYSA-N	-1	0	279.723	3.170	20	30		CGEDRM
COc1ccc(CNc2ccc(NC(=O)[O-])cc2)cc1C#N	ZINC000829389176	605242765	/nfs/dbraw/zinc/24/27/65/605242765.db2.gz	IBUWWPLNNMKOSZ-UHFFFAOYSA-N	-1	0	297.314	3.269	20	30		CGEDRM
Cc1ccc(C#N)cc1OCc1ccccc1C(=O)[O-]	ZINC000232309236	605351838	/nfs/dbraw/zinc/35/18/38/605351838.db2.gz	XFWOZMLYPJBOMI-UHFFFAOYSA-N	-1	0	267.284	3.144	20	30		CGEDRM
COc1cccc(N=NC(C)C[C@@H]2CCCN2C(=O)[O-])c1	ZINC000829572290	605463850	/nfs/dbraw/zinc/46/38/50/605463850.db2.gz	XXGBMQYMHFPEBJ-ZDUSSCGKSA-N	-1	0	291.351	3.016	20	30		CGEDRM
COc1cccc2c1CCC2=NNc1cccc(C(=O)[O-])c1	ZINC000759647009	605593361	/nfs/dbraw/zinc/59/33/61/605593361.db2.gz	UIYLXUWYWCHPNJ-UHFFFAOYSA-N	-1	0	296.326	3.156	20	30		CGEDRM
C#CCCCCCC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000833361744	605672494	/nfs/dbraw/zinc/67/24/94/605672494.db2.gz	JTTSVOPTGQFAPX-LBPRGKRZSA-N	-1	0	292.331	3.474	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1	ZINC000899854246	620731740	/nfs/dbraw/zinc/73/17/40/620731740.db2.gz	HSCAREBEMULADU-KGLIPLIRSA-N	-1	0	273.332	3.159	20	30		CGEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514128	617613624	/nfs/dbraw/zinc/61/36/24/617613624.db2.gz	MOXXBDQKODBZJB-CMDGGOBGSA-N	-1	0	297.376	3.159	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(F)c(F)c(F)c2)c1	ZINC000255129756	617966357	/nfs/dbraw/zinc/96/63/57/617966357.db2.gz	KORSINUIGIMDQK-UHFFFAOYSA-N	-1	0	296.204	3.468	20	30		CGEDRM
CCn1nc(C)c(/C=C/C(=O)c2ccc(C)cc2[O-])c1C	ZINC000156704096	618130548	/nfs/dbraw/zinc/13/05/48/618130548.db2.gz	UXQXZPBYVCLBOQ-CMDGGOBGSA-N	-1	0	284.359	3.430	20	30		CGEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(CCCC)cc1	ZINC000092466567	618180087	/nfs/dbraw/zinc/18/00/87/618180087.db2.gz	DVPFYYQONJTLFK-UHFFFAOYSA-N	-1	0	290.363	3.134	20	30		CGEDRM
COCc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000255299636	618181052	/nfs/dbraw/zinc/18/10/52/618181052.db2.gz	QESPNIYOMOPMDP-TWGQIWQCSA-N	-1	0	284.311	3.140	20	30		CGEDRM
CCOc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000255372638	618242385	/nfs/dbraw/zinc/24/23/85/618242385.db2.gz	RBTWLBDTOBOBJA-UHFFFAOYSA-N	-1	0	286.287	3.450	20	30		CGEDRM
CC(C)N(CCC#N)C(=O)c1ccc2ccc(O)cc2c1O	ZINC000900470610	620790050	/nfs/dbraw/zinc/79/00/50/620790050.db2.gz	ZAWDZLCEZXOIPL-UHFFFAOYSA-N	-1	0	298.342	3.015	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-]	ZINC000255571032	618716977	/nfs/dbraw/zinc/71/69/77/618716977.db2.gz	MHWGQKJBQRNHLL-BAQGIRSFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCOc1cc(/C=C\C(=O)c2ccccc2[O-])ccc1O	ZINC000255593767	618745320	/nfs/dbraw/zinc/74/53/20/618745320.db2.gz	WPRFHIWEKZSZPU-CLFYSBASSA-N	-1	0	284.311	3.393	20	30		CGEDRM
Cc1ccoc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000255633009	618769542	/nfs/dbraw/zinc/76/95/42/618769542.db2.gz	GBESASKDHKIFKS-IHWYPQMZSA-N	-1	0	264.227	3.468	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cnn3ccccc23)c([O-])c1	ZINC000176956565	618769755	/nfs/dbraw/zinc/76/97/55/618769755.db2.gz	RMTLNCCYBFJNNL-SOFGYWHQSA-N	-1	0	278.311	3.244	20	30		CGEDRM
CSc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179727952	618800325	/nfs/dbraw/zinc/80/03/25/618800325.db2.gz	APMASOUHFJVHAQ-UHFFFAOYSA-N	-1	0	284.340	3.238	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2(c3ccccc3)CCC2)c1	ZINC000179728408	618800567	/nfs/dbraw/zinc/80/05/67/618800567.db2.gz	VXRBCLWXQLSDHS-UHFFFAOYSA-N	-1	0	292.338	3.324	20	30		CGEDRM
Cc1cccc2c1OC/C(=C\c1ccc(C(=O)[O-])cc1)C2=O	ZINC000066407984	618849684	/nfs/dbraw/zinc/84/96/84/618849684.db2.gz	DHLDZFUKYKYXPG-NTEUORMPSA-N	-1	0	294.306	3.352	20	30		CGEDRM
O=C([O-])c1ccc(N=NC[C@H]2CC2(Cl)Cl)c(F)c1	ZINC000853354675	618987183	/nfs/dbraw/zinc/98/71/83/618987183.db2.gz	RVUCQTXHQCYREX-SSDOTTSWSA-N	-1	0	291.109	3.115	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])cc(OC)c1	ZINC000184516918	619053009	/nfs/dbraw/zinc/05/30/09/619053009.db2.gz	MLTLOOUFEGEIFE-ONEGZZNKSA-N	-1	0	290.340	3.367	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NOCc1ccccc1	ZINC000814791419	619424162	/nfs/dbraw/zinc/42/41/62/619424162.db2.gz	GVPNVRWTIXARJJ-DGCLKSJQSA-N	-1	0	261.321	3.080	20	30		CGEDRM
Cc1nc(C#N)c(N=NC(C)CCCCCCC(=O)[O-])o1	ZINC000814813090	619424702	/nfs/dbraw/zinc/42/47/02/619424702.db2.gz	USBPANULRQMBMT-UHFFFAOYSA-N	-1	0	292.339	3.068	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2cccs2)c1	ZINC000263634988	619435094	/nfs/dbraw/zinc/43/50/94/619435094.db2.gz	AVOONVSGCMQIPE-ZROIWOOFSA-N	-1	0	276.317	3.024	20	30		CGEDRM
CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000787142959	620515508	/nfs/dbraw/zinc/51/55/08/620515508.db2.gz	YWNLJGHXZZCADN-YSIZRHRHSA-N	-1	0	276.214	3.060	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccnn1C1CCC1	ZINC000901160290	620838666	/nfs/dbraw/zinc/83/86/66/620838666.db2.gz	ZUKWDCWOPBLNEK-UHFFFAOYSA-N	-1	0	298.346	3.142	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC1CCC(F)(F)CC1	ZINC000901340199	620857035	/nfs/dbraw/zinc/85/70/35/620857035.db2.gz	BNWNTSLCLBWLJZ-NXEZZACHSA-N	-1	0	288.338	3.031	20	30		CGEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000073288859	625506569	/nfs/dbraw/zinc/50/65/69/625506569.db2.gz	XLCNNUPSUBNRBE-LLVKDONJSA-N	-1	0	275.414	3.145	20	30		CGEDRM
CC(=NOCCC(F)(F)F)c1ccc(C(=O)[O-])cc1C	ZINC000905461298	622078358	/nfs/dbraw/zinc/07/83/58/622078358.db2.gz	GVHRBKGXSQEMAL-UHFFFAOYSA-N	-1	0	289.253	3.386	20	30		CGEDRM
C=CC1(CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC000907703278	622308271	/nfs/dbraw/zinc/30/82/71/622308271.db2.gz	HFXLQSFVDPVVNP-CQSZACIVSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000907789151	622312763	/nfs/dbraw/zinc/31/27/63/622312763.db2.gz	WMHVTUMUHLGILU-GFCCVEGCSA-N	-1	0	275.348	3.340	20	30		CGEDRM
C=CCC1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CCC1	ZINC000908337973	622343090	/nfs/dbraw/zinc/34/30/90/622343090.db2.gz	FSCUWAPSWNINAI-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000909097027	622391728	/nfs/dbraw/zinc/39/17/28/622391728.db2.gz	MGHAMJRPZCSFIT-KXKDPZRNSA-N	-1	0	273.332	3.325	20	30		CGEDRM
C#CCCCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1	ZINC000909845858	622430754	/nfs/dbraw/zinc/43/07/54/622430754.db2.gz	XAVDGYXQJZDWMZ-HNNXBMFYSA-N	-1	0	293.407	3.110	20	30		CGEDRM
N#C[C@]1(C(=O)Nc2cc(F)cc(F)c2O)CC12CCCC2	ZINC000910985962	622513393	/nfs/dbraw/zinc/51/33/93/622513393.db2.gz	CUCOMEZPIGVLAX-HNNXBMFYSA-N	-1	0	292.285	3.083	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C)cc(C(=O)[O-])c1)OCC	ZINC000911072889	622518046	/nfs/dbraw/zinc/51/80/46/622518046.db2.gz	MSDARNVEHLLHNI-AWEZNQCLSA-N	-1	0	291.347	3.003	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1	ZINC000911386778	622530685	/nfs/dbraw/zinc/53/06/85/622530685.db2.gz	JACZMJGDNVJMBA-UHFFFAOYSA-N	-1	0	284.315	3.161	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911687322	622543917	/nfs/dbraw/zinc/54/39/17/622543917.db2.gz	FYMGUHUKCIQDRR-UHFFFAOYSA-N	-1	0	279.311	3.373	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccc(C#N)s2)c([O-])c1	ZINC000156614612	622830479	/nfs/dbraw/zinc/83/04/79/622830479.db2.gz	JNAOXRGUCDZCFY-FNORWQNLSA-N	-1	0	285.324	3.230	20	30		CGEDRM
Cc1ncccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000156667681	622832292	/nfs/dbraw/zinc/83/22/92/622832292.db2.gz	ZYUUQDIMVLGHBE-GQCTYLIASA-N	-1	0	257.264	3.131	20	30		CGEDRM
O=C(/C=C/c1cccnc1Cl)c1ccc(O)cc1[O-]	ZINC000156636029	622832607	/nfs/dbraw/zinc/83/26/07/622832607.db2.gz	RUTCSDACHCGBCX-ZZXKWVIFSA-N	-1	0	275.691	3.042	20	30		CGEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1	ZINC000045098569	622843035	/nfs/dbraw/zinc/84/30/35/622843035.db2.gz	JAGKEVIPWHIFGG-UHFFFAOYSA-N	-1	0	295.404	3.475	20	30		CGEDRM
C[C@]1(C#N)CCCN(Cc2cccc(Cl)c2[O-])C1	ZINC000753586851	623437871	/nfs/dbraw/zinc/43/78/71/623437871.db2.gz	KPEAFWHAYFLUPN-CQSZACIVSA-N	-1	0	264.756	3.171	20	30		CGEDRM
CCn1nccc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000152668604	623699537	/nfs/dbraw/zinc/69/95/37/623699537.db2.gz	LPOSTTGYSFFHDK-GQCTYLIASA-N	-1	0	276.723	3.158	20	30		CGEDRM
CCOc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000915955225	624079885	/nfs/dbraw/zinc/07/98/85/624079885.db2.gz	BPBFFGGUVSCADA-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[C@H](O)C1	ZINC000915982973	624090351	/nfs/dbraw/zinc/09/03/51/624090351.db2.gz	KZBTWMIRMYRTLQ-HXNNJJQPSA-N	-1	0	288.174	3.421	20	30		CGEDRM
COc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000915990793	624095157	/nfs/dbraw/zinc/09/51/57/624095157.db2.gz	QCFYEBNNYXZPKA-YFHOEESVSA-N	-1	0	296.322	3.218	20	30		CGEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccsc1	ZINC000916876847	624220927	/nfs/dbraw/zinc/22/09/27/624220927.db2.gz	AMKZZHCYTLJXKZ-AWEZNQCLSA-N	-1	0	295.363	3.371	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000033797052	624415189	/nfs/dbraw/zinc/41/51/89/624415189.db2.gz	BIGSVSGNGXWVCJ-YHYXMXQVSA-N	-1	0	277.279	3.153	20	30		CGEDRM
C[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000920178892	624453799	/nfs/dbraw/zinc/45/37/99/624453799.db2.gz	YZBIBAGJADWLFA-YCAXJWCXSA-N	-1	0	282.727	3.419	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2cc(F)cc(F)c2)c1	ZINC000920376400	624483982	/nfs/dbraw/zinc/48/39/82/624483982.db2.gz	HPZVFWXSMUQEAC-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
Cc1cc(C)cc(CN=Nc2ccccc2C(=O)[O-])c1	ZINC000921256715	624575429	/nfs/dbraw/zinc/57/54/29/624575429.db2.gz	ZFYAQWHPLLTCQS-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2ccc(O)c(Cl)c2)cc1	ZINC000921254594	624576103	/nfs/dbraw/zinc/57/61/03/624576103.db2.gz	QEOQPKYMNUUAOS-UHFFFAOYSA-N	-1	0	290.706	3.190	20	30		CGEDRM
Cc1ccc2c(c1)CCC2N=Nc1ccccc1C(=O)[O-]	ZINC000921255843	624576164	/nfs/dbraw/zinc/57/61/64/624576164.db2.gz	FAXBWOBQXIFDIZ-UHFFFAOYSA-N	-1	0	280.327	3.456	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cn1	ZINC000175325662	624629926	/nfs/dbraw/zinc/62/99/26/624629926.db2.gz	ZISGHKXTJFSWSS-ONEGZZNKSA-N	-1	0	292.285	3.344	20	30		CGEDRM
CC(=NNCCC(C)(C)C)c1csc(C(=O)[O-])c1	ZINC000814901407	626172337	/nfs/dbraw/zinc/17/23/37/626172337.db2.gz	MIUDERJVUBVHGR-UHFFFAOYSA-N	-1	0	268.382	3.196	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(F)cc1F	ZINC000751127614	626376981	/nfs/dbraw/zinc/37/69/81/626376981.db2.gz	PQNUVLBJUGRJNC-UHFFFAOYSA-N	-1	0	293.229	3.025	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000755585061	626630049	/nfs/dbraw/zinc/63/00/49/626630049.db2.gz	OXGAWNQKDNDTFC-WAYWQWQTSA-N	-1	0	283.308	3.214	20	30		CGEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1cc(F)cc(F)c1[O-]	ZINC000755598098	626631173	/nfs/dbraw/zinc/63/11/73/626631173.db2.gz	CNHQZFWTXWWLDY-IWQZZHSRSA-N	-1	0	294.228	3.411	20	30		CGEDRM
Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1F	ZINC000757473625	626781802	/nfs/dbraw/zinc/78/18/02/626781802.db2.gz	ZWUYGFIOKATBLE-QPJJXVBHSA-N	-1	0	272.275	3.441	20	30		CGEDRM
C[C@H]1C[C@H]1CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000758360024	626837588	/nfs/dbraw/zinc/83/75/88/626837588.db2.gz	TZJYAOBOHYIWKS-YUMQZZPRSA-N	-1	0	252.701	3.092	20	30		CGEDRM
CC[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1c(C)noc1C	ZINC000759716656	626917559	/nfs/dbraw/zinc/91/75/59/626917559.db2.gz	BCCBMMQPUAPMJN-LBPRGKRZSA-N	-1	0	299.330	3.001	20	30		CGEDRM
O=C([O-])c1ccc(N=NC(Cc2ccccc2)C2CC2)nc1	ZINC000763369325	627154210	/nfs/dbraw/zinc/15/42/10/627154210.db2.gz	FRJQMDNPABSLFX-UHFFFAOYSA-N	-1	0	295.342	3.200	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000764443835	627207860	/nfs/dbraw/zinc/20/78/60/627207860.db2.gz	YNTFKKMDLYSKNU-PLNGDYQASA-N	-1	0	278.304	3.498	20	30		CGEDRM
CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc(C(=O)[O-])c1	ZINC000764647139	627216359	/nfs/dbraw/zinc/21/63/59/627216359.db2.gz	BLRKYERFJPDNLR-UHFFFAOYSA-N	-1	0	299.286	3.129	20	30		CGEDRM
Cc1cccc(CNN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000764715640	627220001	/nfs/dbraw/zinc/22/00/01/627220001.db2.gz	RIWHSGXKWDUFGY-UHFFFAOYSA-N	-1	0	276.286	3.103	20	30		CGEDRM
CC(C)n1cc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cn1	ZINC000765825613	627273611	/nfs/dbraw/zinc/27/36/11/627273611.db2.gz	QQVVKLHTLFORRW-ONEGZZNKSA-N	-1	0	290.344	3.120	20	30		CGEDRM
Cc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1C#N	ZINC000766490912	627336833	/nfs/dbraw/zinc/33/68/33/627336833.db2.gz	LCOIYZAUOSYQMT-VQHVLOKHSA-N	-1	0	263.296	3.468	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCCC(F)(F)C2)c1	ZINC000767691340	627429098	/nfs/dbraw/zinc/42/90/98/627429098.db2.gz	TUPJYTXTLUIIGE-NUEDXCKTSA-N	-1	0	284.262	3.297	20	30		CGEDRM
[O-]c1c(F)cc(Cl)cc1C=NNC1CCCC1	ZINC000768365300	627476273	/nfs/dbraw/zinc/47/62/73/627476273.db2.gz	SXGILYMAIYERBI-UHFFFAOYSA-N	-1	0	256.708	3.051	20	30		CGEDRM
N#Cc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1F	ZINC000770572289	627627294	/nfs/dbraw/zinc/62/72/94/627627294.db2.gz	NTTXGGPPLRWNCR-DJWKRKHSSA-N	-1	0	283.258	3.005	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccccc2[O-])ccc1[N+](=O)[O-]	ZINC000770572923	627627530	/nfs/dbraw/zinc/62/75/30/627627530.db2.gz	URZYPLGYPHNQQL-CLFYSBASSA-N	-1	0	299.282	3.205	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])c(F)c1	ZINC000772801129	627824055	/nfs/dbraw/zinc/82/40/55/627824055.db2.gz	JEGSGCAGOJDRFF-UTCJRWHESA-N	-1	0	285.249	3.438	20	30		CGEDRM
O=C(C=Cc1nc(Cl)cs1)c1sccc1[O-]	ZINC000773143327	627861972	/nfs/dbraw/zinc/86/19/72/627861972.db2.gz	QRRYBJKZLUNZNP-UPHRSURJSA-N	-1	0	271.750	3.460	20	30		CGEDRM
Cc1ccsc1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000773154080	627862877	/nfs/dbraw/zinc/86/28/77/627862877.db2.gz	WWNOLKQXOCEWHX-OQLLNIDSSA-N	-1	0	290.344	3.332	20	30		CGEDRM
CCOCCON=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000774436899	627990198	/nfs/dbraw/zinc/99/01/98/627990198.db2.gz	MOZBGMPMPFMPMO-UHFFFAOYSA-N	-1	0	292.162	3.476	20	30		CGEDRM
Cc1cscc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000775233348	628073499	/nfs/dbraw/zinc/07/34/99/628073499.db2.gz	BHCKZVHAFNXIOC-LHHJGKSTSA-N	-1	0	276.317	3.289	20	30		CGEDRM
[O-]c1c(Cl)cccc1C=NOCCC(F)(F)F	ZINC000777459496	628273151	/nfs/dbraw/zinc/27/31/51/628273151.db2.gz	QDKNJDDOUILRTR-UHFFFAOYSA-N	-1	0	267.634	3.349	20	30		CGEDRM
CC#Cc1cccc(-c2cc(C=O)cc(C(=O)[O-])c2)c1	ZINC000874969216	634660877	/nfs/dbraw/zinc/66/08/77/634660877.db2.gz	KPVISOVCJOTEQS-UHFFFAOYSA-N	-1	0	264.280	3.236	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1scnc1C1CC1	ZINC000782176427	628620156	/nfs/dbraw/zinc/62/01/56/628620156.db2.gz	HWSVGECHTKBEKQ-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
Cc1nc(F)ccc1C=CC(=O)c1sccc1[O-]	ZINC000782351766	628641250	/nfs/dbraw/zinc/64/12/50/628641250.db2.gz	NVUJSSRLJZKNGO-DUXPYHPUSA-N	-1	0	263.293	3.192	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(F)nc2C)c([O-])c1	ZINC000782348863	628641421	/nfs/dbraw/zinc/64/14/21/628641421.db2.gz	VBRQXYYFBNBQBP-DAXSKMNVSA-N	-1	0	271.291	3.439	20	30		CGEDRM
N#Cc1cnc2c(c1)CC/C(=C/c1ccc(O)c(F)c1)C2=O	ZINC000788354858	629047097	/nfs/dbraw/zinc/04/70/97/629047097.db2.gz	NWDVHHMNEWRBSJ-ACAGNQJTSA-N	-1	0	294.285	3.010	20	30		CGEDRM
CC(C)=CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790101972	629183941	/nfs/dbraw/zinc/18/39/41/629183941.db2.gz	UEJQPXLEBALBII-AUWJEWJLSA-N	-1	0	268.700	3.339	20	30		CGEDRM
CC[C@H](NN=C(C)c1ccc2ccccc2c1)C(=O)[O-]	ZINC000793073050	629408082	/nfs/dbraw/zinc/40/80/82/629408082.db2.gz	XVRJUCOJZOCYFU-HNNXBMFYSA-N	-1	0	270.332	3.017	20	30		CGEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccco1	ZINC000118985309	629415104	/nfs/dbraw/zinc/41/51/04/629415104.db2.gz	BDJMCWRADWGBEQ-ONEGZZNKSA-N	-1	0	250.200	3.160	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000794942636	629604298	/nfs/dbraw/zinc/60/42/98/629604298.db2.gz	QDHRFTJFWJYGEP-XQRVVYSFSA-N	-1	0	274.295	3.205	20	30		CGEDRM
COc1ccc(C#N)cc1NCc1ccc(F)c(F)c1[O-]	ZINC000864038924	629735423	/nfs/dbraw/zinc/73/54/23/629735423.db2.gz	FQLIBXYCKBLOCX-UHFFFAOYSA-N	-1	0	290.269	3.163	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000864179241	629793169	/nfs/dbraw/zinc/79/31/69/629793169.db2.gz	RWHNMCYGEZFVQS-LLVKDONJSA-N	-1	0	293.750	3.219	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000864189328	629795408	/nfs/dbraw/zinc/79/54/08/629795408.db2.gz	NZKODMVYKGXHOQ-WDEREUQCSA-N	-1	0	289.803	3.161	20	30		CGEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C#N)c2)c1	ZINC000799717472	630223881	/nfs/dbraw/zinc/22/38/81/630223881.db2.gz	GQWDQTNXUTUROM-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1cccc(C(=O)[O-])c1	ZINC000806558828	630566680	/nfs/dbraw/zinc/56/66/80/630566680.db2.gz	MZNPBKZHVHFOLN-ALCCZGGFSA-N	-1	0	285.274	3.123	20	30		CGEDRM
O=C([O-])[C@@H]1C/C(=C/c2cccc(O)c2)C(=O)c2ccccc21	ZINC000806562872	630566966	/nfs/dbraw/zinc/56/69/66/630566966.db2.gz	PXRQTVCZAJBRIB-IYCSXQJISA-N	-1	0	294.306	3.230	20	30		CGEDRM
O=C([O-])[C@@H]1C/C(=C\c2cccc(O)c2)C(=O)c2ccccc21	ZINC000806562876	630566975	/nfs/dbraw/zinc/56/69/75/630566975.db2.gz	PXRQTVCZAJBRIB-OQRGYWNNSA-N	-1	0	294.306	3.230	20	30		CGEDRM
C=CCOc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000812445209	631261316	/nfs/dbraw/zinc/26/13/16/631261316.db2.gz	MXCFHYIXPHTYHL-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000812445467	631261794	/nfs/dbraw/zinc/26/17/94/631261794.db2.gz	XTBWNMPABDARGJ-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]OCCOC(C)C)c1ccccc1	ZINC000812800713	631315514	/nfs/dbraw/zinc/31/55/14/631315514.db2.gz	CLCYCCGBEPTEGT-MRXNPFEDSA-N	-1	0	291.391	3.209	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000837044799	634847042	/nfs/dbraw/zinc/84/70/42/634847042.db2.gz	SQPUPYHMKSQVRP-SECBINFHSA-N	-1	0	271.769	3.054	20	30		CGEDRM
O=C([O-])[C@H]1CCC(=NOCCC2CC2)c2ccccc21	ZINC000814246888	631560568	/nfs/dbraw/zinc/56/05/68/631560568.db2.gz	HCIMUMIINLCTNE-AWEZNQCLSA-N	-1	0	273.332	3.169	20	30		CGEDRM
CC(C)c1cnc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000814680642	631620240	/nfs/dbraw/zinc/62/02/40/631620240.db2.gz	BFKCHAWAIISCHC-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])CS1	ZINC000814769083	631636476	/nfs/dbraw/zinc/63/64/76/631636476.db2.gz	SLYCKQDZHLOMRR-ZDUSSCGKSA-N	-1	0	278.377	3.314	20	30		CGEDRM
CCC(CC)NN=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814851555	631655872	/nfs/dbraw/zinc/65/58/72/631655872.db2.gz	OYABFGMOINOIJD-YPMHNXCESA-N	-1	0	268.401	3.278	20	30		CGEDRM
COc1cc(F)cc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814870469	631660185	/nfs/dbraw/zinc/66/01/85/631660185.db2.gz	DBAMIMGCXMEEDQ-VHSXEESVSA-N	-1	0	294.326	3.123	20	30		CGEDRM
CC(=NNCc1cccc(C)c1)c1csc(C(=O)[O-])c1	ZINC000814873047	631661141	/nfs/dbraw/zinc/66/11/41/631661141.db2.gz	KEEDJFGLMWXAFA-UHFFFAOYSA-N	-1	0	288.372	3.269	20	30		CGEDRM
CC[C@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000814889795	631666862	/nfs/dbraw/zinc/66/68/62/631666862.db2.gz	SLYZFHHOMBRMHJ-GFCCVEGCSA-N	-1	0	283.331	3.371	20	30		CGEDRM
CCC(CC)CNN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814906043	631674738	/nfs/dbraw/zinc/67/47/38/631674738.db2.gz	DGHAREXDYWNQRH-UHFFFAOYSA-N	-1	0	288.391	3.185	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cccc(F)n2)c1Cl	ZINC000814928471	631686508	/nfs/dbraw/zinc/68/65/08/631686508.db2.gz	AMZQZZSXEAIKMC-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
O=C([O-])c1cccc(C=NOC/C=C\Cl)c1Cl	ZINC000814934190	631688179	/nfs/dbraw/zinc/68/81/79/631688179.db2.gz	OCPWZZJAPDKPDN-SJUYUPISSA-N	-1	0	274.103	3.141	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOC/C=C\Cl	ZINC000814934647	631689897	/nfs/dbraw/zinc/68/98/97/631689897.db2.gz	XJWMSNLKTMKTHJ-GIWJDWNJSA-N	-1	0	279.723	3.194	20	30		CGEDRM
C[C@H]1C(=NOCCC2CC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814941607	631695080	/nfs/dbraw/zinc/69/50/80/631695080.db2.gz	NOBACPLZQAJIQD-JQWIXIFHSA-N	-1	0	267.369	3.316	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C(F)=C2CCCC2)n1	ZINC000815898209	631830209	/nfs/dbraw/zinc/83/02/09/631830209.db2.gz	WKOPNNXASJJJHU-JTQLQIEISA-N	-1	0	264.325	3.425	20	30		CGEDRM
CS[C@H]1CCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000819801110	632517067	/nfs/dbraw/zinc/51/70/67/632517067.db2.gz	NPVAVRDTLOXDJP-NSHDSACASA-N	-1	0	284.768	3.332	20	30		CGEDRM
CC(=NN[C@H](C)c1ccncc1)[C@H](C)CCCCC(=O)[O-]	ZINC000819819439	632526554	/nfs/dbraw/zinc/52/65/54/632526554.db2.gz	ZQMUEWMLMAKXFN-TZMCWYRMSA-N	-1	0	291.395	3.389	20	30		CGEDRM
N#CC(=C([O-])C=C[C@@H]1CCCO1)c1nc2ccccc2s1	ZINC000819937678	632541396	/nfs/dbraw/zinc/54/13/96/632541396.db2.gz	UQMYYLFZAHDJSL-ADYIUWEDSA-N	-1	0	298.367	3.208	20	30		CGEDRM
CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000826602762	633420886	/nfs/dbraw/zinc/42/08/86/633420886.db2.gz	APDCNUWGZJDQEU-VXGBXAGGSA-N	-1	0	258.321	3.029	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2CCC(C3CC3)CC2)c1	ZINC000831271029	633935204	/nfs/dbraw/zinc/93/52/04/633935204.db2.gz	BWTAOLQXTTXKAX-UHFFFAOYSA-N	-1	0	284.359	3.419	20	30		CGEDRM
CC(C)(C)OC(=O)N=c1[nH]c(C=NOCC2CC2)cs1	ZINC000872378462	634126402	/nfs/dbraw/zinc/12/64/02/634126402.db2.gz	JWIQDWGALZPNBP-UHFFFAOYSA-N	-1	0	297.380	3.251	20	30		CGEDRM
CC(=NN[C@H](C)C(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000834998823	634307000	/nfs/dbraw/zinc/30/70/00/634307000.db2.gz	NDCNSXZTWZBHAG-BBBLOLIVSA-N	-1	0	294.317	3.040	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000840984572	635100304	/nfs/dbraw/zinc/10/03/04/635100304.db2.gz	GLLUPNSFLPUYQP-ZIAGYGMSSA-N	-1	0	298.427	3.099	20	30		CGEDRM
O=C([O-])c1cc(N=NCCC[C@H]2CCO2)ccc1Cl	ZINC000841602610	635194934	/nfs/dbraw/zinc/19/49/34/635194934.db2.gz	KFFCBSZUDIXBOX-JTQLQIEISA-N	-1	0	282.727	3.005	20	30		CGEDRM
C[C@@H]1C[C@@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845839348	636105510	/nfs/dbraw/zinc/10/55/10/636105510.db2.gz	HUNOXPWRSJERSC-USWWRNFRSA-N	-1	0	287.384	3.174	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(F)cc2F)CCC1	ZINC000846535663	636193856	/nfs/dbraw/zinc/19/38/56/636193856.db2.gz	JDIPVUUNLNAQGU-UHFFFAOYSA-N	-1	0	281.302	3.010	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CSCc1ccc(Cl)cc1	ZINC000846540362	636196253	/nfs/dbraw/zinc/19/62/53/636196253.db2.gz	RIRRSFMYMJKEMH-UHFFFAOYSA-N	-1	0	285.796	3.197	20	30		CGEDRM
C=C(C)CO[N-]C(=O)CSc1ccccc1Cl	ZINC000846540409	636196567	/nfs/dbraw/zinc/19/65/67/636196567.db2.gz	UGHLQIXFAPCUDR-UHFFFAOYSA-N	-1	0	271.769	3.056	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1Cl	ZINC000846545474	636197934	/nfs/dbraw/zinc/19/79/34/636197934.db2.gz	OMZQTDLFCMWNOZ-JTQLQIEISA-N	-1	0	267.756	3.240	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccccc2C)CCC1	ZINC000846556168	636201788	/nfs/dbraw/zinc/20/17/88/636201788.db2.gz	YUQCCGRUTWHITN-CYBMUJFWSA-N	-1	0	259.349	3.039	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1	ZINC000848200254	636540011	/nfs/dbraw/zinc/54/00/11/636540011.db2.gz	JSXBLRXPAUWZPE-UHFFFAOYSA-N	-1	0	299.292	3.361	20	30		CGEDRM
C[C@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848415510	636571893	/nfs/dbraw/zinc/57/18/93/636571893.db2.gz	MXIWRPOMCGACTB-NSHDSACASA-N	-1	0	260.337	3.292	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cc3n(n2)CCCC3)c([O-])c1	ZINC000848640191	636626724	/nfs/dbraw/zinc/62/67/24/636626724.db2.gz	ITTZNFQARVWGTL-VURMDHGXSA-N	-1	0	282.343	3.130	20	30		CGEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1F	ZINC000086054894	636779306	/nfs/dbraw/zinc/77/93/06/636779306.db2.gz	MOEHUFJRFWCMQC-SNVBAGLBSA-N	-1	0	299.367	3.158	20	30		CGEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1	ZINC000086055164	636779521	/nfs/dbraw/zinc/77/95/21/636779521.db2.gz	UAABTAIGXDPIJO-LBPRGKRZSA-N	-1	0	295.404	3.409	20	30		CGEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1	ZINC000086055165	636780282	/nfs/dbraw/zinc/78/02/82/636780282.db2.gz	UAABTAIGXDPIJO-GFCCVEGCSA-N	-1	0	295.404	3.409	20	30		CGEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)CCCCCCCC	ZINC000850913779	637184689	/nfs/dbraw/zinc/18/46/89/637184689.db2.gz	VXADYXUDHTUVGC-ZDUSSCGKSA-N	-1	0	289.441	3.005	20	30		CGEDRM
CC(C)(C)O[C@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000852998449	637727909	/nfs/dbraw/zinc/72/79/09/637727909.db2.gz	LRBCSXIVUFDIHY-QNOKVKDPSA-N	-1	0	292.335	3.065	20	30		CGEDRM
CC(CC(C)(C)C#N)N=Nc1cccc(C(=O)[O-])c1	ZINC000853258023	637795848	/nfs/dbraw/zinc/79/58/48/637795848.db2.gz	IFYYINZCNVTMEA-UHFFFAOYSA-N	-1	0	259.309	3.112	20	30		CGEDRM
CC(=NN1CCCC[C@H]1C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000853381807	637831655	/nfs/dbraw/zinc/83/16/55/637831655.db2.gz	MBZPIUCJBWNFOZ-BNOWGMLFSA-N	-1	0	280.412	3.374	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(Cl)cn1	ZINC000853435598	637840982	/nfs/dbraw/zinc/84/09/82/637840982.db2.gz	QXHQORZOJOYHAW-UHFFFAOYSA-N	-1	0	281.743	3.168	20	30		CGEDRM
CC[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000113651181	638248769	/nfs/dbraw/zinc/24/87/69/638248769.db2.gz	OHJJTELHMFFRIW-GWCFXTLKSA-N	-1	0	282.343	3.414	20	30		CGEDRM
C=CCCO[N-]C(=O)CSc1ccc(C)cc1C	ZINC000856028298	638286000	/nfs/dbraw/zinc/28/60/00/638286000.db2.gz	GBQKRKLBDLDWAR-UHFFFAOYSA-N	-1	0	265.378	3.019	20	30		CGEDRM
O=C([O-])c1cc(N=NC[C@H]2CCCOCC2)ccc1Cl	ZINC000857206387	638472303	/nfs/dbraw/zinc/47/23/03/638472303.db2.gz	NXLPECFKSRANJO-JTQLQIEISA-N	-1	0	296.754	3.253	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000116581922	639092684	/nfs/dbraw/zinc/09/26/84/639092684.db2.gz	QORUWXGTDQIZLB-QWHCGFSZSA-N	-1	0	269.385	3.107	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000158288145	639999682	/nfs/dbraw/zinc/99/96/82/639999682.db2.gz	AVXRARUKQGRCTB-BQYQJAHWSA-N	-1	0	297.266	3.189	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000077958437	640275020	/nfs/dbraw/zinc/27/50/20/640275020.db2.gz	BRVQUIYOJARCKK-LLVKDONJSA-N	-1	0	279.361	3.000	20	30		CGEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791814	640599855	/nfs/dbraw/zinc/59/98/55/640599855.db2.gz	GPDSTQDSRYLDMC-UHFFFAOYSA-N	-1	0	289.784	3.172	20	30		CGEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791790	640600331	/nfs/dbraw/zinc/60/03/31/640600331.db2.gz	BPDYBAWUTRUCJG-SECBINFHSA-N	-1	0	289.784	3.172	20	30		CGEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000088800136	640624541	/nfs/dbraw/zinc/62/45/41/640624541.db2.gz	UQHQELWPHNGPNT-UHFFFAOYSA-N	-1	0	285.752	3.096	20	30		CGEDRM
C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC001250915995	805797814	/nfs/dbraw/zinc/79/78/14/805797814.db2.gz	LLTNHFOHXTWMGD-SNVBAGLBSA-N	-1	0	292.385	3.176	20	30		CGEDRM
Cc1cc(Nc2ccc(C(=O)[O-])c(C)c2)cnc1C#N	ZINC001211652600	814925791	/nfs/dbraw/zinc/92/57/91/814925791.db2.gz	GXFPAJHCZNUYBY-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
CCCCCCCCc1cn(CCCCC(=O)[O-])nn1	ZINC001254081597	806338856	/nfs/dbraw/zinc/33/88/56/806338856.db2.gz	MQNKDIFYFYJUKD-UHFFFAOYSA-N	-1	0	281.400	3.436	20	30		CGEDRM
CCCCCCCCc1cn(C(C)(C)CC(=O)[O-])nn1	ZINC001254094670	806341785	/nfs/dbraw/zinc/34/17/85/806341785.db2.gz	YOSAHIZUSXTEPS-UHFFFAOYSA-N	-1	0	281.400	3.391	20	30		CGEDRM
Cc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1	ZINC000213722463	799134225	/nfs/dbraw/zinc/13/42/25/799134225.db2.gz	XHFXAODUGSFKRI-KTKRTIGZSA-N	-1	0	296.322	3.355	20	30		CGEDRM
Cc1ccc2ncc(C=CC(=O)c3sccc3[O-])n2c1	ZINC000588598813	799720648	/nfs/dbraw/zinc/72/06/48/799720648.db2.gz	FUMKTKBQRLMSAK-ARJAWSKDSA-N	-1	0	284.340	3.306	20	30		CGEDRM
CCCCCCCS(=O)(=O)[N-]c1scnc1CC	ZINC000799645795	800395510	/nfs/dbraw/zinc/39/55/10/800395510.db2.gz	NAGMLSILCNGIQO-UHFFFAOYSA-N	-1	0	290.454	3.418	20	30		CGEDRM
CC[C@@H](C(=O)N(O)C(=N)c1ccccc1N)c1ccccc1	ZINC001182132597	810094840	/nfs/dbraw/zinc/09/48/40/810094840.db2.gz	HSEHITXGPFRVMS-CYBMUJFWSA-N	-1	0	297.358	3.006	20	30		CGEDRM
Cc1cc(-c2ccc(CCC(=O)[O-])cc2)nc(C)c1C#N	ZINC001244188884	803233524	/nfs/dbraw/zinc/23/35/24/803233524.db2.gz	APVXBJNGRAFEHP-UHFFFAOYSA-N	-1	0	280.327	3.254	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cc(F)c([O-])c(Cl)c2)n1	ZINC001244500316	803406071	/nfs/dbraw/zinc/40/60/71/803406071.db2.gz	KUOOXDAWBOICBV-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CCc1ccncc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244502332	803408922	/nfs/dbraw/zinc/40/89/22/803408922.db2.gz	MZUPVUALYUSJPV-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
N#Cc1c(Cl)cccc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC001244734399	803515132	/nfs/dbraw/zinc/51/51/32/803515132.db2.gz	GXBSPWUDRAQFIT-UHFFFAOYSA-N	-1	0	293.731	3.125	20	30		CGEDRM
CC(C)(C#N)c1ccc(-c2cnc(F)c(C(=O)[O-])c2)cc1	ZINC001244755039	803520693	/nfs/dbraw/zinc/52/06/93/803520693.db2.gz	QDOLEDQSEQPEEO-UHFFFAOYSA-N	-1	0	284.290	3.387	20	30		CGEDRM
N#CC1(c2ccc(-c3cnc(F)c(C(=O)[O-])c3)cc2)CC1	ZINC001244755059	803520925	/nfs/dbraw/zinc/52/09/25/803520925.db2.gz	RPEHSYQKSXPISV-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
Cc1cc(-c2[nH]ccc3ncc(C#N)c2-3)cc(C)c1C(=O)[O-]	ZINC001244944842	803585963	/nfs/dbraw/zinc/58/59/63/803585963.db2.gz	LLRZUPSMVDJPBT-UHFFFAOYSA-N	-1	0	291.310	3.417	20	30		CGEDRM
COc1cc(-c2cccc(C(=O)[O-])c2C)cc(F)c1C#N	ZINC001245304899	803696766	/nfs/dbraw/zinc/69/67/66/803696766.db2.gz	ZXPUJRKBEJHEQH-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
N#CCc1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1C#N	ZINC001245318303	803699925	/nfs/dbraw/zinc/69/99/25/803699925.db2.gz	FVUYSAMOUVWHSW-UHFFFAOYSA-N	-1	0	294.285	3.058	20	30		CGEDRM
O=C([O-])Cc1ccc(F)c(-c2cc(/C=N/O)ccc2F)c1	ZINC001245319028	803699944	/nfs/dbraw/zinc/69/99/44/803699944.db2.gz	HPYJMOGBPGECNI-QGMBQPNBSA-N	-1	0	291.253	3.067	20	30		CGEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])cc2Cl)cc1F	ZINC001245371672	803717340	/nfs/dbraw/zinc/71/73/40/803717340.db2.gz	JZIICXCKWUAZND-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
Cc1ccccc1[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001137934199	803801811	/nfs/dbraw/zinc/80/18/11/803801811.db2.gz	MTUPCLAYASKJHP-GFCCVEGCSA-N	-1	0	280.327	3.315	20	30		CGEDRM
Cc1ccnc(-c2cc([O-])c(F)c(F)c2F)c1C#N	ZINC001245634193	803867917	/nfs/dbraw/zinc/86/79/17/803867917.db2.gz	KQKYNBXOFDVLSS-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1cc(C#N)cc(-c2cc(Cl)c([O-])cc2F)n1	ZINC001245670872	803901103	/nfs/dbraw/zinc/90/11/03/803901103.db2.gz	ZZCMBPSONSQPPA-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1c(F)ccc([O-])c1Cl	ZINC001245827228	803982377	/nfs/dbraw/zinc/98/23/77/803982377.db2.gz	NEXCHLPCFHTFDZ-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
O=C(C#Cc1cccs1)Nc1cc(F)cc(Cl)c1[O-]	ZINC001138644902	803992227	/nfs/dbraw/zinc/99/22/27/803992227.db2.gz	SBPXBGSCAXMGFB-UHFFFAOYSA-N	-1	0	295.722	3.236	20	30		CGEDRM
N#Cc1cccc(Cn2[n-]c(Cc3ccccc3)cc2=O)c1	ZINC001245924368	804052252	/nfs/dbraw/zinc/05/22/52/804052252.db2.gz	DOSRDRUZDBULJB-UHFFFAOYSA-N	-1	0	289.338	3.099	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(-c3cccc(F)c3)[n-]2)cc1	ZINC001245936938	804067785	/nfs/dbraw/zinc/06/77/85/804067785.db2.gz	GVSKLRZGGXWQET-UHFFFAOYSA-N	-1	0	279.274	3.256	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(Cl)cc2C)[nH]1	ZINC001245951713	804086028	/nfs/dbraw/zinc/08/60/28/804086028.db2.gz	HPNNLJVPSVLGHQ-UHFFFAOYSA-N	-1	0	260.724	3.106	20	30		CGEDRM
O=C(CCc1nnc(CC2CCCCC2)o1)C1=CC=C[CH]1	ZINC001257031402	807031990	/nfs/dbraw/zinc/03/19/90/807031990.db2.gz	KOGGQTDXQAAWKL-UHFFFAOYSA-N	-1	0	285.367	3.395	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2Cl)cn1	ZINC001248551123	804950497	/nfs/dbraw/zinc/95/04/97/804950497.db2.gz	IMPPMCSXHIHRCW-UHFFFAOYSA-N	-1	0	272.691	3.158	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)s1	ZINC001212512481	815044578	/nfs/dbraw/zinc/04/45/78/815044578.db2.gz	OMAKJGCBQYJARW-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1ccccc1CCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001144435914	804988505	/nfs/dbraw/zinc/98/85/05/804988505.db2.gz	WCKDLFHJAMNFAF-UHFFFAOYSA-N	-1	0	298.317	3.283	20	30		CGEDRM
CCN(CCC#N)C(=S)[N-]c1ccccc1SC	ZINC001249694518	805214597	/nfs/dbraw/zinc/21/45/97/805214597.db2.gz	HKKQPSKYWUAQPM-UHFFFAOYSA-N	-1	0	279.434	3.341	20	30		CGEDRM
C=CCCONC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC001149451919	805234024	/nfs/dbraw/zinc/23/40/24/805234024.db2.gz	KSXMXCXARHCTJO-UHFFFAOYSA-N	-1	0	291.734	3.436	20	30		CGEDRM
Cc1ccc(Cc2ccccc2C#N)cc1C(=O)[O-]	ZINC001250045379	805385856	/nfs/dbraw/zinc/38/58/56/805385856.db2.gz	DHVWFBUGONOTQI-UHFFFAOYSA-N	-1	0	251.285	3.156	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1[N-]C(=O)c1onc2ccccc21	ZINC001154375638	805452214	/nfs/dbraw/zinc/45/22/14/805452214.db2.gz	KHPMPMZTCJQQMD-UHFFFAOYSA-N	-1	0	299.236	3.230	20	30		CGEDRM
COc1ccc(F)c([N-]c2onc(C)c2C#N)c1Cl	ZINC001250301885	805554531	/nfs/dbraw/zinc/55/45/31/805554531.db2.gz	ZGLGHZLPMPMAOB-UHFFFAOYSA-N	-1	0	281.674	3.399	20	30		CGEDRM
CCCCCCCCC[C@H](C)N[C@@H]1SC(=O)[N-]C1=O	ZINC001258229578	807376781	/nfs/dbraw/zinc/37/67/81/807376781.db2.gz	OZWHUPGYVDFJGO-WCQYABFASA-N	-1	0	286.441	3.414	20	30		CGEDRM
O=C(C=CNc1ccc2oc(=S)[n-]c2c1)C(F)(F)F	ZINC001169475653	807648331	/nfs/dbraw/zinc/64/83/31/807648331.db2.gz	JMXYPCFPHPECTC-ONEGZZNKSA-N	-1	0	288.250	3.174	20	30		CGEDRM
CCOc1ncc(Nc2cc(C#N)c(F)cc2[O-])cc1F	ZINC001212833278	815150267	/nfs/dbraw/zinc/15/02/67/815150267.db2.gz	QRJRAXSQVRLCEH-UHFFFAOYSA-N	-1	0	291.257	3.079	20	30		CGEDRM
CC(C)(S)CNc1ccc2oc(=S)[n-]c2c1	ZINC001170306340	807823103	/nfs/dbraw/zinc/82/31/03/807823103.db2.gz	XGAMUWZCFBKUIA-UHFFFAOYSA-N	-1	0	254.380	3.237	20	30		CGEDRM
N#Cc1cc(Nc2ccc3c(c2)CCO3)c([O-])cc1F	ZINC001174011347	808820276	/nfs/dbraw/zinc/82/02/76/808820276.db2.gz	CQXIPDJPGWFLCF-UHFFFAOYSA-N	-1	0	270.263	3.081	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1cccc(/C=C/C(=O)[O-])c1	ZINC001174494705	809042023	/nfs/dbraw/zinc/04/20/23/809042023.db2.gz	HFKNKQGCDGKSTA-QPJJXVBHSA-N	-1	0	299.717	3.448	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1cccc(CC#N)c1	ZINC001174675198	809126421	/nfs/dbraw/zinc/12/64/21/809126421.db2.gz	HZGZQJZSRDMNER-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
COc1cc(Nc2c(C#N)cccc2OC)ccc1C(=O)[O-]	ZINC001174685509	809130126	/nfs/dbraw/zinc/13/01/26/809130126.db2.gz	QMNFSADBFXMGSV-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174808484	809168406	/nfs/dbraw/zinc/16/84/06/809168406.db2.gz	RTFQWUYUWKSHPK-UHFFFAOYSA-N	-1	0	292.291	3.209	20	30		CGEDRM
COc1ccc(Nc2scc([O-])c2C#N)cc1C	ZINC001174828485	809173927	/nfs/dbraw/zinc/17/39/27/809173927.db2.gz	WRSHDWHZUVNAGG-UHFFFAOYSA-N	-1	0	260.318	3.386	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cnc(C#N)c(Cl)c1	ZINC001174984286	809226550	/nfs/dbraw/zinc/22/65/50/809226550.db2.gz	XTNJITAAXFVIME-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
COc1ccc(Nc2scc([O-])c2C#N)c(F)c1F	ZINC001175020777	809242062	/nfs/dbraw/zinc/24/20/62/809242062.db2.gz	UFICSKXUGKXBGP-UHFFFAOYSA-N	-1	0	282.271	3.356	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175218471	809311947	/nfs/dbraw/zinc/31/19/47/809311947.db2.gz	FUYMSWTYCNBVKS-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(C3CC3)c2)c1	ZINC001295828543	809494493	/nfs/dbraw/zinc/49/44/93/809494493.db2.gz	QODRMLIUJVUCLR-UHFFFAOYSA-N	-1	0	278.311	3.394	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccncc1)C1CCCCC1	ZINC001300210989	809564388	/nfs/dbraw/zinc/56/43/88/809564388.db2.gz	NAXJAEACGBVYCQ-XJKSGUPXSA-N	-1	0	288.391	3.368	20	30		CGEDRM
COc1cc(Nc2cccc(C#N)c2)cc(C(=O)[O-])c1	ZINC001213590659	815306935	/nfs/dbraw/zinc/30/69/35/815306935.db2.gz	DRPODCWSMWHOKK-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1cc(Nc2ccc(CC#N)cc2)cc(C(=O)[O-])c1	ZINC001213591109	815307089	/nfs/dbraw/zinc/30/70/89/815307089.db2.gz	QJDHWENSGXCMLG-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
COc1cc(Nc2c(C)cccc2C#N)cc(C(=O)[O-])c1	ZINC001213594991	815308073	/nfs/dbraw/zinc/30/80/73/815308073.db2.gz	LWBOOBSVERUVOQ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cs1	ZINC001176586683	809724925	/nfs/dbraw/zinc/72/49/25/809724925.db2.gz	KTRQUCGXRYMRRM-UHFFFAOYSA-N	-1	0	284.340	3.480	20	30		CGEDRM
Cc1csc(Nc2ccc(C(=O)[O-])cc2)c1C#N	ZINC001176707931	809745258	/nfs/dbraw/zinc/74/52/58/809745258.db2.gz	OCTYQFXIMXVIHK-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)cs1	ZINC001213628091	815313393	/nfs/dbraw/zinc/31/33/93/815313393.db2.gz	XITVTMKGXIZSJK-UHFFFAOYSA-N	-1	0	272.329	3.381	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213632190	815314633	/nfs/dbraw/zinc/31/46/33/815314633.db2.gz	ZKPYISFOZGBEBO-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
N#Cc1cnccc1Nc1ccc2[n-]c(=S)sc2c1	ZINC001214015371	815356352	/nfs/dbraw/zinc/35/63/52/815356352.db2.gz	NRNVIBZPOHLMHZ-UHFFFAOYSA-N	-1	0	284.369	3.017	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)cc1O	ZINC001214276358	815392922	/nfs/dbraw/zinc/39/29/22/815392922.db2.gz	BIBVNQYAWZZYLZ-UHFFFAOYSA-N	-1	0	298.298	3.104	20	30		CGEDRM
CC(C)(C)C1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193495065	810897109	/nfs/dbraw/zinc/89/71/09/810897109.db2.gz	VVBAWGGLKOOPET-UHFFFAOYSA-N	-1	0	286.375	3.162	20	30		CGEDRM
C[C@H](CCc1ccccc1)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658692	810930294	/nfs/dbraw/zinc/93/02/94/810930294.db2.gz	DURSTCXNRDYTBK-CYBMUJFWSA-N	-1	0	294.354	3.015	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)c1	ZINC001202788339	812174265	/nfs/dbraw/zinc/17/42/65/812174265.db2.gz	XFCSHNZIOAQPMJ-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203291917	812294679	/nfs/dbraw/zinc/29/46/79/812294679.db2.gz	BELOUKHXMBOYIA-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
C#Cc1cccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001215463758	815521316	/nfs/dbraw/zinc/52/13/16/815521316.db2.gz	NOLJCKXXZDHARV-UHFFFAOYSA-N	-1	0	273.238	3.388	20	30		CGEDRM
N#C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC001203581951	812398722	/nfs/dbraw/zinc/39/87/22/812398722.db2.gz	IEVKQXQAWOMAEB-QMMMGPOBSA-N	-1	0	271.147	3.044	20	30		CGEDRM
CC(C)c1nnc([N-]c2cc(F)c(C#N)c(F)c2)o1	ZINC001203669467	812426271	/nfs/dbraw/zinc/42/62/71/812426271.db2.gz	SVVPARHVDWWDGI-UHFFFAOYSA-N	-1	0	264.235	3.086	20	30		CGEDRM
O=C([O-])c1c(F)ccc(-c2cccc(/C=N/O)c2)c1F	ZINC001205100350	812864573	/nfs/dbraw/zinc/86/45/73/812864573.db2.gz	OBGWFDWBOQLVTD-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
COc1ccc(-c2ccsc2C(=O)[O-])cc1CC#N	ZINC001205572211	813008262	/nfs/dbraw/zinc/00/82/62/813008262.db2.gz	FYNLSEQXKJFXSB-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209889816	814189743	/nfs/dbraw/zinc/18/97/43/814189743.db2.gz	VAOHDQSILXLUBU-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(Nc2scc([O-])c2C#N)ccc1N(C)C	ZINC001210042494	814260168	/nfs/dbraw/zinc/26/01/68/814260168.db2.gz	HNOQEUVKOWWVGP-UHFFFAOYSA-N	-1	0	273.361	3.443	20	30		CGEDRM
Cc1c(Cl)c(C#N)ccc1Nc1ccc(C(=O)[O-])nc1	ZINC001210177218	814321590	/nfs/dbraw/zinc/32/15/90/814321590.db2.gz	MDDPNPQYEGPZOE-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
C#CCOc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1	ZINC001210241413	814360913	/nfs/dbraw/zinc/36/09/13/814360913.db2.gz	BSQPMNBSPSGSNA-UHFFFAOYSA-N	-1	0	285.274	3.280	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1sccc1C#N	ZINC001210252141	814367343	/nfs/dbraw/zinc/36/73/43/814367343.db2.gz	FQSJIIIDFFYGET-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccccc1C#N	ZINC001210257453	814369431	/nfs/dbraw/zinc/36/94/31/814369431.db2.gz	BZMWKATVQHEADB-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1F	ZINC001210258930	814370725	/nfs/dbraw/zinc/37/07/25/814370725.db2.gz	NXXLNIVDOZRHAI-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cc(C#N)ccc1C	ZINC001210258921	814371111	/nfs/dbraw/zinc/37/11/11/814371111.db2.gz	VDLXPPHTYWYJJQ-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210398663	814444670	/nfs/dbraw/zinc/44/46/70/814444670.db2.gz	NNFWVIHTNMSSSY-UHFFFAOYSA-N	-1	0	269.260	3.224	20	30		CGEDRM
CC(C)(C)c1nnc([N-]c2ccc(F)cc2C#N)o1	ZINC001210550980	814521581	/nfs/dbraw/zinc/52/15/81/814521581.db2.gz	CWMBIRGMTDJGQW-UHFFFAOYSA-N	-1	0	260.272	3.121	20	30		CGEDRM
C[C@@H](O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001210649982	814572356	/nfs/dbraw/zinc/57/23/56/814572356.db2.gz	FHEMXFBKMRJKEW-SECBINFHSA-N	-1	0	272.279	3.200	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1cccc([O-])c1Cl	ZINC001210854896	814651892	/nfs/dbraw/zinc/65/18/92/814651892.db2.gz	DWEZNSJTJCHBRL-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1cn(-c2cccc([O-])c2Cl)c2ccc(N)cc12	ZINC001210859956	814655400	/nfs/dbraw/zinc/65/54/00/814655400.db2.gz	OAHJGNQKQJBTGO-UHFFFAOYSA-N	-1	0	283.718	3.443	20	30		CGEDRM
N#Cc1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC001210927429	814678031	/nfs/dbraw/zinc/67/80/31/814678031.db2.gz	USTYWTOLSOWFBM-UHFFFAOYSA-N	-1	0	281.102	3.104	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2ccccc2C(=O)[O-])cn1	ZINC001210970080	814697296	/nfs/dbraw/zinc/69/72/96/814697296.db2.gz	SIQGEKYISAZTQU-UHFFFAOYSA-N	-1	0	281.315	3.325	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1OC	ZINC001211037909	814715345	/nfs/dbraw/zinc/71/53/45/814715345.db2.gz	VGYIDNNJBBCBMS-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
COc1c(Nc2cc(C)cc(C#N)c2)cccc1C(=O)[O-]	ZINC001211040594	814715963	/nfs/dbraw/zinc/71/59/63/814715963.db2.gz	XCXGLVAFHBWGNS-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1ccc(Nc2ccc(C#N)cc2O)cc1C(=O)[O-]	ZINC001211606736	814917102	/nfs/dbraw/zinc/91/71/02/814917102.db2.gz	YAYIUFPMXGPMRJ-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ncc(C#N)cc1Cl	ZINC001211616708	814918624	/nfs/dbraw/zinc/91/86/24/814918624.db2.gz	VGVPDCCULHYNNN-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1csc(C#N)c1	ZINC001211620871	814919905	/nfs/dbraw/zinc/91/99/05/814919905.db2.gz	LKMORBSIQXFLRO-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
Cc1cnc(-c2cc(Cl)c([O-])c(Cl)c2)c(C#N)n1	ZINC001242850868	823152619	/nfs/dbraw/zinc/15/26/19/823152619.db2.gz	AZJKARYTXLOMIF-UHFFFAOYSA-N	-1	0	280.114	3.336	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cccc(Cl)c1N	ZINC001216525531	815849761	/nfs/dbraw/zinc/84/97/61/815849761.db2.gz	XCCQWBYPNMRASA-UHFFFAOYSA-N	-1	0	265.725	3.305	20	30		CGEDRM
Cc1c(Nc2ccc(C#N)cc2)cccc1C(=O)[O-]	ZINC001216660243	815887681	/nfs/dbraw/zinc/88/76/81/815887681.db2.gz	HFRPSXRJKIIWKU-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cccc([S-])c3)cc12	ZINC001242866623	823158881	/nfs/dbraw/zinc/15/88/81/823158881.db2.gz	CUQLPFJGZUUOQF-UHFFFAOYSA-N	-1	0	251.314	3.390	20	30		CGEDRM
N#Cc1cnc2ccc(-c3cccc([S-])c3)cn12	ZINC001242868517	823159910	/nfs/dbraw/zinc/15/99/10/823159910.db2.gz	YNDTVCZPFQANHJ-UHFFFAOYSA-N	-1	0	251.314	3.162	20	30		CGEDRM
N#Cc1ccc2cc(-c3ccccc3C(=O)[O-])ccc2n1	ZINC001242880543	823162838	/nfs/dbraw/zinc/16/28/38/823162838.db2.gz	FUIXRHFGFBNCTG-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1nc(C)c(C)c(C)c1C#N	ZINC001242919808	823171992	/nfs/dbraw/zinc/17/19/92/823171992.db2.gz	JGJSFEGTMOZDIH-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
Cc1nc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ccc1CC#N	ZINC001222672565	816495840	/nfs/dbraw/zinc/49/58/40/816495840.db2.gz	UKMXABNQDSAQEX-UHFFFAOYSA-N	-1	0	292.338	3.239	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])OC(C2CC2)C2CC2)c1	ZINC001223892310	816698782	/nfs/dbraw/zinc/69/87/82/816698782.db2.gz	FQMHCBAMWGLEPP-MSUUIHNZSA-N	-1	0	291.347	3.045	20	30		CGEDRM
CCCCCCCC[C@@H](CC)OCCS(=O)(=O)[O-]	ZINC001224572008	816828571	/nfs/dbraw/zinc/82/85/71/816828571.db2.gz	QPPLSXRTKXQTJB-CYBMUJFWSA-N	-1	0	280.430	3.420	20	30		CGEDRM
C=CC[C@@H](CCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224900659	816906282	/nfs/dbraw/zinc/90/62/82/816906282.db2.gz	RBSLLJQLPWARHU-AWEZNQCLSA-N	-1	0	298.404	3.237	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)ncc1F)c1ccccc1	ZINC001225885986	817207236	/nfs/dbraw/zinc/20/72/36/817207236.db2.gz	RUAAAWKAAVZNBH-LBPRGKRZSA-N	-1	0	260.268	3.018	20	30		CGEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H](c1ccccc1)C1CC1	ZINC001226014237	817249665	/nfs/dbraw/zinc/24/96/65/817249665.db2.gz	UHJBGBDPVAFEJS-CQSZACIVSA-N	-1	0	284.290	3.328	20	30		CGEDRM
C=CC[C@H](Oc1nc(C)cc(=O)[n-]1)c1ccccc1	ZINC001226157608	817287229	/nfs/dbraw/zinc/28/72/29/817287229.db2.gz	BVYCXMKNHTYKHQ-ZDUSSCGKSA-N	-1	0	256.305	3.187	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccnc2Cl)c1C#N	ZINC001226221658	817302126	/nfs/dbraw/zinc/30/21/26/817302126.db2.gz	PBQVUTLNBIYTTP-SECBINFHSA-N	-1	0	289.722	3.156	20	30		CGEDRM
COc1ccccc1[C@@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226221723	817302313	/nfs/dbraw/zinc/30/23/13/817302313.db2.gz	QEHWRQCZLRXEKJ-LLVKDONJSA-N	-1	0	284.315	3.116	20	30		CGEDRM
C[C@H](Oc1nccc(/C=N/O)n1)c1csc(Cl)c1	ZINC001226252881	817312946	/nfs/dbraw/zinc/31/29/46/817312946.db2.gz	BECLRLJQMLDDQF-ZKHZFVRRSA-N	-1	0	283.740	3.140	20	30		CGEDRM
CCCCCCC[C@@H](C)Oc1[n-]c(=O)nc2nccnc21	ZINC001226991002	817527515	/nfs/dbraw/zinc/52/75/15/817527515.db2.gz	CVIDBNZWNJJOJQ-LLVKDONJSA-N	-1	0	290.367	3.253	20	30		CGEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227612283	817681671	/nfs/dbraw/zinc/68/16/71/817681671.db2.gz	WQUXHJORZCGSOE-SNVBAGLBSA-N	-1	0	285.328	3.098	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C)c(C(=O)[O-])c2)ccc1F	ZINC001243197986	823286892	/nfs/dbraw/zinc/28/68/92/823286892.db2.gz	FKICTMLSLHTIPR-GIJQJNRQSA-N	-1	0	287.290	3.480	20	30		CGEDRM
Cc1cc(-c2ccc(C#N)c(CC#N)c2)ccc1C(=O)[O-]	ZINC001243214095	823294894	/nfs/dbraw/zinc/29/48/94/823294894.db2.gz	DLSFQLIGKWPBLW-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](Oc2[n-]ncc(=O)c2Cl)C(C)(C)O1	ZINC001228391301	817895393	/nfs/dbraw/zinc/89/53/93/817895393.db2.gz	VFQYPMFQIVLABJ-HZMBPMFUSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=O)ncc2Cl)C(C)(C)O1	ZINC001228483096	817918996	/nfs/dbraw/zinc/91/89/96/817918996.db2.gz	QRUQPRILBJCAMQ-HZMBPMFUSA-N	-1	0	298.770	3.117	20	30		CGEDRM
N#Cc1c[nH]c2ccnc(-c3ccc([O-])c(F)c3F)c12	ZINC001243339002	823352109	/nfs/dbraw/zinc/35/21/09/823352109.db2.gz	GZWIMNQDOGZFPO-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
CC[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)cc(C)c1C#N	ZINC001233915316	818730385	/nfs/dbraw/zinc/73/03/85/818730385.db2.gz	IFOOXILMSURDDA-AAEUAGOBSA-N	-1	0	260.337	3.315	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)C	ZINC001234519085	818871885	/nfs/dbraw/zinc/87/18/85/818871885.db2.gz	DJQYHDGCHSBEJI-ZDUSSCGKSA-N	-1	0	271.320	3.020	20	30		CGEDRM
Cc1nc(-c2c(F)cc(F)c([O-])c2F)ccc1C#N	ZINC001235991075	819262323	/nfs/dbraw/zinc/26/23/23/819262323.db2.gz	UKNQXWCVZPBPJF-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235995288	819264693	/nfs/dbraw/zinc/26/46/93/819264693.db2.gz	CMKAVKZXXACMAT-UHFFFAOYSA-N	-1	0	274.201	3.220	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])cc1)CCCC2	ZINC001236057136	819291193	/nfs/dbraw/zinc/29/11/93/819291193.db2.gz	RLNOEYNSFADYTF-UHFFFAOYSA-N	-1	0	278.311	3.197	20	30		CGEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236064767	819296819	/nfs/dbraw/zinc/29/68/19/819296819.db2.gz	VHSYXVSUNBIRIK-UHFFFAOYSA-N	-1	0	262.268	3.405	20	30		CGEDRM
N#Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)cn1	ZINC001236154111	819348646	/nfs/dbraw/zinc/34/86/46/819348646.db2.gz	YPWGHZRQLPMQAK-UHFFFAOYSA-N	-1	0	276.654	3.111	20	30		CGEDRM
N#Cc1ncc(F)cc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236159077	819350113	/nfs/dbraw/zinc/35/01/13/819350113.db2.gz	QJQGARKJACXRGV-UHFFFAOYSA-N	-1	0	294.644	3.250	20	30		CGEDRM
COc1cccc(-c2cc(F)cc(F)c2[O-])c1C#N	ZINC001243505322	823423339	/nfs/dbraw/zinc/42/33/39/823423339.db2.gz	QJZQBXKAWHIVNU-UHFFFAOYSA-N	-1	0	261.227	3.218	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243513040	823426653	/nfs/dbraw/zinc/42/66/53/823426653.db2.gz	DNYNREJWGLLHFS-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#CCC1CCN(Cc2cc(Cl)c([O-])cc2F)CC1	ZINC001238152770	819945681	/nfs/dbraw/zinc/94/56/81/819945681.db2.gz	RDRQKBIVURXVNS-UHFFFAOYSA-N	-1	0	282.746	3.310	20	30		CGEDRM
N#CCOc1ccccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239262360	820244799	/nfs/dbraw/zinc/24/47/99/820244799.db2.gz	RJCHCVVYSCFPSY-UHFFFAOYSA-N	-1	0	271.247	3.093	20	30		CGEDRM
N#Cc1cnc(-c2ccc(C(F)(F)F)cc2[O-])c(C#N)c1	ZINC001243608049	823465854	/nfs/dbraw/zinc/46/58/54/823465854.db2.gz	GCJWFJGIVZNLKP-UHFFFAOYSA-N	-1	0	289.216	3.216	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cc(F)c(C(=O)[O-])c(F)c3)c1-2	ZINC001239339788	820283471	/nfs/dbraw/zinc/28/34/71/820283471.db2.gz	ROZLENYGTVRSKS-UHFFFAOYSA-N	-1	0	299.236	3.078	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccccc2C=N[O-])cc1F	ZINC001239934856	820714039	/nfs/dbraw/zinc/71/40/39/820714039.db2.gz	ZIMGGMDTWQKEKM-UHFFFAOYSA-N	-1	0	258.227	3.312	20	30		CGEDRM
N#Cc1cnc2cc[nH]c(-c3cccc(C=CC(=O)[O-])c3)c1-2	ZINC001240547264	821134202	/nfs/dbraw/zinc/13/42/02/821134202.db2.gz	MLBFDRCKQQGUNM-SNAWJCMRSA-N	-1	0	289.294	3.199	20	30		CGEDRM
Cc1cnc(-c2cccc(/C=C/C(=O)[O-])c2)cc1C#N	ZINC001240548571	821135662	/nfs/dbraw/zinc/13/56/62/821135662.db2.gz	GXWLDLDSDSHNHJ-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)nc(C)c1C#N	ZINC001240548967	821135887	/nfs/dbraw/zinc/13/58/87/821135887.db2.gz	PGTYOXNVISFUAF-VOTSOKGWSA-N	-1	0	278.311	3.335	20	30		CGEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccc([O-])c(F)c1	ZINC001240782962	821322025	/nfs/dbraw/zinc/32/20/25/821322025.db2.gz	KMROMRQRIAWIKR-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
CCOC(=O)c1ccc(C#N)c(-c2ccc([O-])c(F)c2)c1	ZINC001240787286	821329359	/nfs/dbraw/zinc/32/93/59/821329359.db2.gz	WABDPNJTOBJWLJ-UHFFFAOYSA-N	-1	0	285.274	3.247	20	30		CGEDRM
N#CCc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1C#N	ZINC001241245641	821666548	/nfs/dbraw/zinc/66/65/48/821666548.db2.gz	MZPXBLJSWILIAK-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
N#CCc1cncc(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001241349101	821751966	/nfs/dbraw/zinc/75/19/66/821751966.db2.gz	HDGKSTMZMDVSFM-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
COc1cc(C#N)ccc1-c1ccccc1/C=C/C(=O)[O-]	ZINC001241403118	821800350	/nfs/dbraw/zinc/80/03/50/821800350.db2.gz	JNMVOPJTWFREAE-VQHVLOKHSA-N	-1	0	279.295	3.332	20	30		CGEDRM
N#Cc1ncnc2ccc(-c3cc(F)cc(C(=O)[O-])c3)cc12	ZINC001241833557	822169699	/nfs/dbraw/zinc/16/96/99/822169699.db2.gz	BRTDLDZIGFNYRE-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
Cc1nc(-c2cc(C(=O)[O-])cc(F)c2C)ccc1CC#N	ZINC001242209569	822911125	/nfs/dbraw/zinc/91/11/25/822911125.db2.gz	HAKQDCGTCGBCKY-UHFFFAOYSA-N	-1	0	284.290	3.269	20	30		CGEDRM
Cc1cc(-c2ccc3oc(=S)[n-]c3c2)cnc1C#N	ZINC001242356199	822964159	/nfs/dbraw/zinc/96/41/59/822964159.db2.gz	LTAVYTUIUREZPH-UHFFFAOYSA-N	-1	0	267.313	3.359	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3cccc(Cl)c3[O-])c12	ZINC001242366529	822969018	/nfs/dbraw/zinc/96/90/18/822969018.db2.gz	OGRPAQSPFVZJEX-UHFFFAOYSA-N	-1	0	269.691	3.412	20	30		CGEDRM
COc1ccc(-c2cc(C(=O)[O-])ccc2OC)c(CC#N)c1	ZINC001242391275	822979049	/nfs/dbraw/zinc/97/90/49/822979049.db2.gz	IOAUCPCLTSNJBS-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(/C(C)=N/O)cc1	ZINC001242393146	822979541	/nfs/dbraw/zinc/97/95/41/822979541.db2.gz	MGUKYDVNCSMVLE-LICLKQGHSA-N	-1	0	285.299	3.259	20	30		CGEDRM
C=CCN(Cc1cc(F)cc(F)c1[O-])CC(F)(F)F	ZINC001338234448	936312411	/nfs/dbraw/zinc/31/24/11/936312411.db2.gz	JBUBFRLIXJIRQS-UHFFFAOYSA-N	-1	0	281.224	3.221	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC001348204093	936913426	/nfs/dbraw/zinc/91/34/26/936913426.db2.gz	YHFSYAFHCVGGAY-UHFFFAOYSA-N	-1	0	261.321	3.136	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCC[C@@H](F)C2)c1	ZINC001349372676	936947597	/nfs/dbraw/zinc/94/75/97/936947597.db2.gz	OETIMZOTPWEWDV-VTVUARRKSA-N	-1	0	266.272	3.000	20	30		CGEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228914509	927308858	/nfs/dbraw/zinc/30/88/58/927308858.db2.gz	YQWOGIXCBUGLGB-VIFPVBQESA-N	-1	0	264.712	3.332	20	30		CGEDRM
Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228901499	927308924	/nfs/dbraw/zinc/30/89/24/927308924.db2.gz	LRZDUHBPDJWKFK-LLVKDONJSA-N	-1	0	254.289	3.107	20	30		CGEDRM
Cc1c(C#N)cccc1NC(=O)c1cccc(Cl)c1[O-]	ZINC001435497096	937260715	/nfs/dbraw/zinc/26/07/15/937260715.db2.gz	PGNNLHROGCVDPR-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CC[C@H](Nc1cnn(CC)c1)c1cccc(C#N)c1O	ZINC000925944266	928613466	/nfs/dbraw/zinc/61/34/66/928613466.db2.gz	YJNFMWMDFRHZHN-AWEZNQCLSA-N	-1	0	270.336	3.043	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](Oc1cccc(Cl)c1)C(C)C	ZINC001454239208	937407787	/nfs/dbraw/zinc/40/77/87/937407787.db2.gz	GVUYMBJPQWTBHM-CQSZACIVSA-N	-1	0	297.782	3.367	20	30		CGEDRM
CC(C)[C@H]1CC[C@H](Oc2[n-]c(=O)ccc2C#N)CC1	ZINC001228899881	932047862	/nfs/dbraw/zinc/04/78/62/932047862.db2.gz	AGFVORGCKUIHQP-AULYBMBSSA-N	-1	0	260.337	3.252	20	30		CGEDRM
C=C[C@@H](CCCCC)Oc1nc[n-]c(=O)c1Cl	ZINC001230015266	932522467	/nfs/dbraw/zinc/52/24/67/932522467.db2.gz	UOPDHFNUFQMZNS-VIFPVBQESA-N	-1	0	256.733	3.349	20	30		CGEDRM
C#CCCCNC(=S)[N-]c1ccccc1SC	ZINC001249707532	932716746	/nfs/dbraw/zinc/71/67/46/932716746.db2.gz	XFFDJEPKRUNWQA-UHFFFAOYSA-N	-1	0	264.419	3.108	20	30		CGEDRM
Cc1ccc(NN=Cc2ccc(C(=O)[O-])[nH]2)cc1Cl	ZINC001319089264	933822570	/nfs/dbraw/zinc/82/25/70/933822570.db2.gz	NZDDNAYNDKCHTH-UHFFFAOYSA-N	-1	0	277.711	3.121	20	30		CGEDRM
N#Cc1sccc1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC001467351491	937717828	/nfs/dbraw/zinc/71/78/28/937717828.db2.gz	NNFKFXPAGKVNMA-UHFFFAOYSA-N	-1	0	296.710	3.370	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2ccc3c(c2)CCC3)c1	ZINC001319168324	933837313	/nfs/dbraw/zinc/83/73/13/933837313.db2.gz	ZJPFHMNBXXSIFG-UHFFFAOYSA-N	-1	0	280.327	3.320	20	30		CGEDRM
CC(C)[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1	ZINC001471085419	937761399	/nfs/dbraw/zinc/76/13/99/937761399.db2.gz	CWHDNCKPBGHQGD-QGZVFWFLSA-N	-1	0	294.354	3.408	20	30		CGEDRM
Oc1ccc(C=NNC[C@@H]2CCCC2(F)F)c(F)c1F	ZINC001333199738	935516761	/nfs/dbraw/zinc/51/67/61/935516761.db2.gz	KEJDUKUKSNECRG-VIFPVBQESA-N	-1	0	290.260	3.029	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1	ZINC001546332294	938000407	/nfs/dbraw/zinc/00/04/07/938000407.db2.gz	DADLLPZOVADMJX-CHWSQXEVSA-N	-1	0	284.359	3.419	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2Cc3ccc(Cl)cc32)c1	ZINC001546334706	938000510	/nfs/dbraw/zinc/00/05/10/938000510.db2.gz	YLZPVEMGIOOFKD-ZDUSSCGKSA-N	-1	0	298.729	3.196	20	30		CGEDRM
N#CC(=C([O-])C=CC1CCCC1)c1ncc(F)cc1F	ZINC001520448537	938025767	/nfs/dbraw/zinc/02/57/67/938025767.db2.gz	HXRZHIIMVUIACO-FOQNGQEVSA-N	-1	0	276.286	3.282	20	30		CGEDRM
C=C1CCC(CNC(=O)C2(C(=O)[O-])CCCCCC2)CC1	ZINC001602713093	971360482	/nfs/dbraw/zinc/36/04/82/971360482.db2.gz	LBPAHCKWHSUHKY-UHFFFAOYSA-N	-1	0	293.407	3.274	20	30		CGEDRM
C=C[C@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1	ZINC001602717655	971370220	/nfs/dbraw/zinc/37/02/20/971370220.db2.gz	XGPQNGMWPAZXNO-CDNLZTBQSA-N	-1	0	298.294	3.462	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CCCCC1	ZINC001602717636	971370314	/nfs/dbraw/zinc/37/03/14/971370314.db2.gz	VJTBPDRYXUOTCB-UONOGXRCSA-N	-1	0	293.407	3.082	20	30		CGEDRM
C=C[C@@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1	ZINC001602717657	971370418	/nfs/dbraw/zinc/37/04/18/971370418.db2.gz	XGPQNGMWPAZXNO-WHLNPGIBSA-N	-1	0	298.294	3.462	20	30		CGEDRM
CCCCCCCCC(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000112786317	949228195	/nfs/dbraw/zinc/22/81/95/949228195.db2.gz	KIXNOHJQZZKJBE-HNNXBMFYSA-N	-1	0	269.385	3.203	20	30		CGEDRM
N#CCCc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC001594610048	956198033	/nfs/dbraw/zinc/19/80/33/956198033.db2.gz	IHCAHFXNHLOPFB-UHFFFAOYSA-N	-1	0	294.310	3.093	20	30		CGEDRM
N#Cc1cc2ccccc2cc1NC(=O)CCCCC(=O)[O-]	ZINC001594617094	956246717	/nfs/dbraw/zinc/24/67/17/956246717.db2.gz	CPQLZHQOUGZYCY-UHFFFAOYSA-N	-1	0	296.326	3.295	20	30		CGEDRM
N#Cc1ccc(F)cc1NCc1ccc(C(=O)[O-])cc1	ZINC001594621260	956283534	/nfs/dbraw/zinc/28/35/34/956283534.db2.gz	FVKCVBUXVWGBFU-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
O=C([O-])COc1ccc(C(=O)/C=C/c2ccsc2)cc1	ZINC000008321931	956885701	/nfs/dbraw/zinc/88/57/01/956885701.db2.gz	ZKDDAQIOTNZQEN-LZCJLJQNSA-N	-1	0	288.324	3.108	20	30		CGEDRM
C=CCOCSc1nc(C(F)(F)F)ccc1C(=O)[O-]	ZINC001588868859	960492240	/nfs/dbraw/zinc/49/22/40/960492240.db2.gz	YDFXSCKYIOCOCJ-UHFFFAOYSA-N	-1	0	293.266	3.051	20	30		CGEDRM
N#CCC1(CSCc2cccc(C(=O)[O-])c2)CC1	ZINC001601062784	960546950	/nfs/dbraw/zinc/54/69/50/960546950.db2.gz	MNHFHLXPPFTNDI-UHFFFAOYSA-N	-1	0	261.346	3.312	20	30		CGEDRM
CC(C)(C)CC[C@@H](Nc1cc(F)ccc1C#N)C(=O)[O-]	ZINC001573424861	962259069	/nfs/dbraw/zinc/25/90/69/962259069.db2.gz	PBKLHFFUYZSXCK-GFCCVEGCSA-N	-1	0	278.327	3.389	20	30		CGEDRM
C=C(C)CCSCc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC001588561692	962775919	/nfs/dbraw/zinc/77/59/19/962775919.db2.gz	WQHZLNSGTFTYLQ-UHFFFAOYSA-N	-1	0	294.372	3.371	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)c1ccc(C(C)(C)C)cc1	ZINC001573325316	962796592	/nfs/dbraw/zinc/79/65/92/962796592.db2.gz	HREOQQUURGWHRW-UHFFFAOYSA-N	-1	0	289.375	3.368	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CCCCC	ZINC001573332829	962844439	/nfs/dbraw/zinc/84/44/39/962844439.db2.gz	SLMMIJTXZDVZGU-AWEZNQCLSA-N	-1	0	281.396	3.369	20	30		CGEDRM
C=C(CC)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC001588606006	962913778	/nfs/dbraw/zinc/91/37/78/962913778.db2.gz	UCBLXGRTAHSRDL-UHFFFAOYSA-N	-1	0	265.334	3.011	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC001588439386	963265640	/nfs/dbraw/zinc/26/56/40/963265640.db2.gz	UFYAGRBQGKSVTH-UHFFFAOYSA-N	-1	0	294.310	3.034	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588450261	963268911	/nfs/dbraw/zinc/26/89/11/963268911.db2.gz	BCPMXXXMTFCQGZ-UHFFFAOYSA-N	-1	0	275.348	3.107	20	30		CGEDRM
C#CCC(C)(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC001588383496	963269779	/nfs/dbraw/zinc/26/97/79/963269779.db2.gz	BGFVJRGQLNDDQS-UHFFFAOYSA-N	-1	0	297.713	3.165	20	30		CGEDRM
C=CCCC1(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)CCCC1	ZINC001588456934	963273953	/nfs/dbraw/zinc/27/39/53/963273953.db2.gz	BTTLWCFMGPFWCI-KRWDZBQOSA-N	-1	0	293.407	3.130	20	30		CGEDRM
C=CCC[C@@H](C(=O)N(C)CCCC(=O)[O-])c1ccccc1	ZINC001588456941	963276579	/nfs/dbraw/zinc/27/65/79/963276579.db2.gz	BVJQHUVEIKMJDI-OAHLLOKOSA-N	-1	0	289.375	3.060	20	30		CGEDRM
C#CCN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1	ZINC001588471183	963277958	/nfs/dbraw/zinc/27/79/58/963277958.db2.gz	DAXSFHKLNYMIDG-ZHACJKMWSA-N	-1	0	295.338	3.013	20	30		CGEDRM
C#Cc1cccc(NCc2ccc(C(=O)[O-])c(C)c2)c1	ZINC001588524594	963279945	/nfs/dbraw/zinc/27/99/45/963279945.db2.gz	NZRLKBSKACDYHM-UHFFFAOYSA-N	-1	0	265.312	3.287	20	30		CGEDRM
C=C(C)CN(CC)C(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC001588562702	963284492	/nfs/dbraw/zinc/28/44/92/963284492.db2.gz	GAHUJXXOALZNAN-UHFFFAOYSA-N	-1	0	292.379	3.012	20	30		CGEDRM
C=C(C)COc1cccc(NC(=O)C(=C)CCC(=O)[O-])c1	ZINC001588573505	963285554	/nfs/dbraw/zinc/28/55/54/963285554.db2.gz	NGXWEQPPCFHHRF-UHFFFAOYSA-N	-1	0	289.331	3.001	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CC)C1CCC(C)CC1)C(=O)[O-]	ZINC001588537691	963285571	/nfs/dbraw/zinc/28/55/71/963285571.db2.gz	WAMIVPGLEJVPLE-WUCCLRPBSA-N	-1	0	295.423	3.375	20	30		CGEDRM
C=C(C)C[C@@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-]	ZINC001588554301	963287177	/nfs/dbraw/zinc/28/71/77/963287177.db2.gz	CPJMFAXDGKBZPI-LLVKDONJSA-N	-1	0	297.314	3.207	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC001588535737	963287602	/nfs/dbraw/zinc/28/76/02/963287602.db2.gz	KXTCKTOHBDUHKZ-GFCCVEGCSA-N	-1	0	275.348	3.340	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(CC(C)C)C(CC)CC	ZINC001588612485	963289159	/nfs/dbraw/zinc/28/91/59/963289159.db2.gz	QNEFALXUFDHGEK-UHFFFAOYSA-N	-1	0	269.385	3.081	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1/C=C/c1ccccc1	ZINC001588615405	963292551	/nfs/dbraw/zinc/29/25/51/963292551.db2.gz	SSHDDQBAGFHIFE-OFAQMXQXSA-N	-1	0	299.370	3.112	20	30		CGEDRM
C=CC(C)(C)C(=O)OCc1cccc(C(=O)[O-])c1Cl	ZINC001588671717	963296950	/nfs/dbraw/zinc/29/69/50/963296950.db2.gz	HBTSBQILUIGCDV-UHFFFAOYSA-N	-1	0	282.723	3.294	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-]	ZINC001588690663	963297379	/nfs/dbraw/zinc/29/73/79/963297379.db2.gz	HMQHKAKTUPWIQL-DZGCQCFKSA-N	-1	0	289.375	3.485	20	30		CGEDRM
C=C[C@H]([NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-]	ZINC001588692596	963298776	/nfs/dbraw/zinc/29/87/76/963298776.db2.gz	FPRVVXCVHQOBFH-KGFZYKRKSA-N	-1	0	292.137	3.422	20	30		CGEDRM
C=C1CC(C)(c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)C1	ZINC001588644205	963301170	/nfs/dbraw/zinc/30/11/70/963301170.db2.gz	HHJVCVJHIRVLJO-QWRGUYRKSA-N	-1	0	276.336	3.036	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588672968	963301540	/nfs/dbraw/zinc/30/15/40/963301540.db2.gz	GJKZRBDHYBMDBV-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1	ZINC001588712200	963302100	/nfs/dbraw/zinc/30/21/00/963302100.db2.gz	HQLRXTWRFBKBBL-INIZCTEOSA-N	-1	0	296.322	3.398	20	30		CGEDRM
C=C[C@@H](Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)[O-]	ZINC001588702034	963302967	/nfs/dbraw/zinc/30/29/67/963302967.db2.gz	GYZHBQXZTUCYKY-LLVKDONJSA-N	-1	0	288.347	3.468	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588691313	963303580	/nfs/dbraw/zinc/30/35/80/963303580.db2.gz	XNVQRRRKGIWEPS-BBRMVZONSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC001588712258	963305569	/nfs/dbraw/zinc/30/55/69/963305569.db2.gz	UVGXRAJEXJWLSH-KKUMJFAQSA-N	-1	0	288.343	3.348	20	30		CGEDRM
C=C[C@@H](Nc1cccc(C2SCCS2)c1)C(=O)[O-]	ZINC001588702074	963305838	/nfs/dbraw/zinc/30/58/38/963305838.db2.gz	IAJKIRCFVUPMNA-LLVKDONJSA-N	-1	0	281.402	3.216	20	30		CGEDRM
C=CC[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)[O-]	ZINC001588757566	963313034	/nfs/dbraw/zinc/31/30/34/963313034.db2.gz	BCZDDXYPUHEEEX-LBPRGKRZSA-N	-1	0	274.345	3.198	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC001588782459	963313863	/nfs/dbraw/zinc/31/38/63/963313863.db2.gz	FPWMLVVCGGHVFW-NSHDSACASA-N	-1	0	261.321	3.170	20	30		CGEDRM
C=CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1	ZINC001588779508	963314036	/nfs/dbraw/zinc/31/40/36/963314036.db2.gz	ZWUDRDYIZUKBLT-CYBMUJFWSA-N	-1	0	299.326	3.415	20	30		CGEDRM
C=CC[C@H]1CCN1[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001588773041	963317887	/nfs/dbraw/zinc/31/78/87/963317887.db2.gz	VDUXWXPONOSDCF-TVQRCGJNSA-N	-1	0	283.730	3.255	20	30		CGEDRM
CC#CCCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC001588927136	963329410	/nfs/dbraw/zinc/32/94/10/963329410.db2.gz	OKFYMNFCCWOOMM-UHFFFAOYSA-N	-1	0	279.361	3.195	20	30		CGEDRM
CC#CCCCC(=O)Nc1c(C)sc(C)c1C(=O)[O-]	ZINC001588927273	963333195	/nfs/dbraw/zinc/33/31/95/963333195.db2.gz	RGOWJFGLQVRVGH-UHFFFAOYSA-N	-1	0	279.361	3.195	20	30		CGEDRM
C[C@H](CCC#N)CNc1cccc(CCC(=O)[O-])c1	ZINC001589012049	963334723	/nfs/dbraw/zinc/33/47/23/963334723.db2.gz	CQISHXRWVCLMRJ-GFCCVEGCSA-N	-1	0	260.337	3.056	20	30		CGEDRM
CC(=NOCCCC(=O)[O-])c1cc2ccccc2o1	ZINC001589021047	963343211	/nfs/dbraw/zinc/34/32/11/963343211.db2.gz	JWBJYUKTRBMTFT-UHFFFAOYSA-N	-1	0	261.277	3.038	20	30		CGEDRM
N#Cc1cc(Cl)cc(OCc2cc(C(=O)[O-])co2)c1	ZINC000311420577	963478780	/nfs/dbraw/zinc/47/87/80/963478780.db2.gz	DVOJCCZRMWWYFM-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
C#CCCCCCC(=O)Nc1c(CC)cccc1C(=O)[O-]	ZINC001588440762	964043757	/nfs/dbraw/zinc/04/37/57/964043757.db2.gz	PLDJOPYSWLBKHZ-UHFFFAOYSA-N	-1	0	287.359	3.469	20	30		CGEDRM
CC(C)OC1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC001591695298	975518514	/nfs/dbraw/zinc/51/85/14/975518514.db2.gz	HXJBFWKZSLSSGP-UHFFFAOYSA-N	-1	0	296.754	3.394	20	30		CGEDRM
CC(C)c1c(Cl)ncnc1N=NCCC(C)(C)C(=O)[O-]	ZINC001591922678	976396701	/nfs/dbraw/zinc/39/67/01/976396701.db2.gz	DFPYPZCKLANVIC-UHFFFAOYSA-N	-1	0	298.774	3.152	20	30		CGEDRM
C[C@H](CC#N)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-]	ZINC001592221742	977401853	/nfs/dbraw/zinc/40/18/53/977401853.db2.gz	MUCVOXPAESQQLL-MRVPVSSYSA-N	-1	0	294.376	3.232	20	30		CGEDRM
CC(CC(C)(C)CC(=O)[O-])N=Nc1ccc2n[nH]cc2c1	ZINC001592444537	978103563	/nfs/dbraw/zinc/10/35/63/978103563.db2.gz	NQYVPFDGWQFWRT-UHFFFAOYSA-N	-1	0	288.351	3.242	20	30		CGEDRM
CCC(CC)(CCSc1cccnc1C#N)C(=O)[O-]	ZINC001595062767	979320440	/nfs/dbraw/zinc/32/04/40/979320440.db2.gz	GLLCPAFTTDPTSC-UHFFFAOYSA-N	-1	0	278.377	3.326	20	30		CGEDRM
CC[C@@H](Sc1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001595358265	980730494	/nfs/dbraw/zinc/73/04/94/980730494.db2.gz	HYKXCIQJHHBRNN-MRVPVSSYSA-N	-1	0	255.726	3.167	20	30		CGEDRM
CCCC[C@@H](Sc1snc(Cl)c1C#N)C(=O)[O-]	ZINC001595656869	982057197	/nfs/dbraw/zinc/05/71/97/982057197.db2.gz	GWBVKEGGHVMVTK-SSDOTTSWSA-N	-1	0	290.797	3.404	20	30		CGEDRM
CCCCCCCCC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC001595704614	982276912	/nfs/dbraw/zinc/27/69/12/982276912.db2.gz	DEEUCTPIJIALSK-ZQDZILKHSA-N	-1	0	295.423	3.353	20	30		CGEDRM
CCCCCCCCCNC(=O)c1ccc(C(=O)[O-])n1C	ZINC001595705174	982282488	/nfs/dbraw/zinc/28/24/88/982282488.db2.gz	QTDFDYCHQNCSLY-UHFFFAOYSA-N	-1	0	294.395	3.204	20	30		CGEDRM
Cc1c(C#N)cccc1N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001599974412	986065640	/nfs/dbraw/zinc/06/56/40/986065640.db2.gz	BKULFENXMWALAK-SECBINFHSA-N	-1	0	287.344	3.195	20	30		CGEDRM
CCOc1cccc(/C=N/[C@H](CC(C)(C)C)C(=O)[O-])c1O	ZINC001597149936	986923192	/nfs/dbraw/zinc/92/31/92/986923192.db2.gz	MWVBZIRMPYGCKT-YXHQGMJNSA-N	-1	0	293.363	3.099	20	30		CGEDRM
CCc1oc(C=NNc2ccc(C)cc2)cc1C(=O)[O-]	ZINC001597793182	989341590	/nfs/dbraw/zinc/34/15/90/989341590.db2.gz	UIAPFIYGULOHBM-UHFFFAOYSA-N	-1	0	272.304	3.295	20	30		CGEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC001591532854	992707469	/nfs/dbraw/zinc/70/74/69/992707469.db2.gz	CQEZKJYXOLPMRR-FPLPWBNLSA-N	-1	0	298.342	3.133	20	30		CGEDRM
COc1ccc(C#N)cc1CNc1ccc(C(=O)[O-])cc1C	ZINC001599476492	998539960	/nfs/dbraw/zinc/53/99/60/998539960.db2.gz	CWPHYERONDDZQW-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1OCCN=c1[n-]c(C#N)c(Cl)s1	ZINC000590573480	346851558	/nfs/dbraw/zinc/85/15/58/346851558.db2.gz	YUEHBXNMEONOPS-KOLCDFICSA-N	-1	0	299.827	3.097	20	30		CGEDRM
C[C@H]1CCCC[C@@H]1OCCN=c1[n-]c(C#N)c(Cl)s1	ZINC000590573482	346851657	/nfs/dbraw/zinc/85/16/57/346851657.db2.gz	YUEHBXNMEONOPS-ONGXEEELSA-N	-1	0	299.827	3.097	20	30		CGEDRM
Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1C(=O)[O-]	ZINC000591270367	346912723	/nfs/dbraw/zinc/91/27/23/346912723.db2.gz	BNSLIEFPONUOSD-NWDGAFQWSA-N	-1	0	258.321	3.188	20	30		CGEDRM
N#Cc1nc2ccccc2cc1-c1cccc(C(=O)[O-])c1	ZINC000158367202	346164327	/nfs/dbraw/zinc/16/43/27/346164327.db2.gz	WWDNHLDQAYNABY-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
C=CCNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000217455179	346291244	/nfs/dbraw/zinc/29/12/44/346291244.db2.gz	OZGLMSCDWKRGRL-UHFFFAOYSA-N	-1	0	261.708	3.115	20	30		CGEDRM
CC(C)(C)C(F)(F)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596543341	347477648	/nfs/dbraw/zinc/47/76/48/347477648.db2.gz	RVOPGCRJLJBIHH-UHFFFAOYSA-N	-1	0	279.743	3.183	20	30		CGEDRM
CCCC[C@@H](Sc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000600676460	347828240	/nfs/dbraw/zinc/82/82/40/347828240.db2.gz	XFAJXBIKFPYMBT-SNVBAGLBSA-N	-1	0	284.768	3.342	20	30		CGEDRM
N#C[C@H](Sc1n[n-]c(=Nc2ccccc2)s1)C1CC1	ZINC000601072523	347863383	/nfs/dbraw/zinc/86/33/83/347863383.db2.gz	LYZZLVUKHIYWDQ-NSHDSACASA-N	-1	0	288.401	3.098	20	30		CGEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000601984391	347931165	/nfs/dbraw/zinc/93/11/65/347931165.db2.gz	QXQVJJJYZUXOCN-UHFFFAOYSA-N	-1	0	294.738	3.041	20	30		CGEDRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1	ZINC000601983839	347931436	/nfs/dbraw/zinc/93/14/36/347931436.db2.gz	PICLEWLFFZXNRF-INIZCTEOSA-N	-1	0	288.347	3.024	20	30		CGEDRM
CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601933033	347925870	/nfs/dbraw/zinc/92/58/70/347925870.db2.gz	XDUXJWMSKATQPL-HIFRSBDPSA-N	-1	0	281.359	3.333	20	30		CGEDRM
N#Cc1cccnc1/C=C\c1cccc(C(=O)[O-])c1Cl	ZINC000352009476	219288352	/nfs/dbraw/zinc/28/83/52/219288352.db2.gz	WWEVZWCSUYYIQV-SREVYHEPSA-N	-1	0	284.702	3.475	20	30		CGEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccc1O	ZINC000620305565	349354098	/nfs/dbraw/zinc/35/40/98/349354098.db2.gz	LXGDSVTYSRIKKF-OKILXGFUSA-N	-1	0	271.360	3.278	20	30		CGEDRM
C=CC(C)(C)CCNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000628313931	350495766	/nfs/dbraw/zinc/49/57/66/350495766.db2.gz	HPFRIBPYTITHKP-UHFFFAOYSA-N	-1	0	287.281	3.142	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-]	ZINC000630236917	350819245	/nfs/dbraw/zinc/81/92/45/350819245.db2.gz	XONQDYITJMNQPD-JTQLQIEISA-N	-1	0	286.331	3.407	20	30		CGEDRM
C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC000630292627	350822107	/nfs/dbraw/zinc/82/21/07/350822107.db2.gz	DMAXMUNNUCDYDQ-CQSZACIVSA-N	-1	0	289.375	3.092	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cc(C(=O)[O-])oc1C	ZINC000630314034	350823295	/nfs/dbraw/zinc/82/32/95/350823295.db2.gz	OJDSGZJOAHDMEL-UHFFFAOYSA-N	-1	0	279.336	3.008	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000630326659	350823822	/nfs/dbraw/zinc/82/38/22/350823822.db2.gz	RSODPXXUJDSBPT-UKRRQHHQSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000630326660	350824076	/nfs/dbraw/zinc/82/40/76/350824076.db2.gz	RSODPXXUJDSBPT-ZFWWWQNUSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=CCOc1cccc(NC(=O)[C@@](C)(CC)CC(=O)[O-])c1	ZINC000634818494	351592250	/nfs/dbraw/zinc/59/22/50/351592250.db2.gz	NVJWHPMROVYLRQ-INIZCTEOSA-N	-1	0	291.347	3.081	20	30		CGEDRM
C=CCCCCCNC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000634844914	351595721	/nfs/dbraw/zinc/59/57/21/351595721.db2.gz	WJAFPHJIZCTDRG-UHFFFAOYSA-N	-1	0	289.375	3.478	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000276036747	193196156	/nfs/dbraw/zinc/19/61/56/193196156.db2.gz	VIXVIQRONOHXAX-HNNXBMFYSA-N	-1	0	261.321	3.136	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)c3ccccc23)n1	ZINC000047358110	369313510	/nfs/dbraw/zinc/31/35/10/369313510.db2.gz	REYMSZYGZRHAHW-LBPRGKRZSA-N	-1	0	295.367	3.433	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)s1	ZINC000048518134	369356765	/nfs/dbraw/zinc/35/67/65/369356765.db2.gz	VAKOHHCWCQLRIW-UHFFFAOYSA-N	-1	0	287.406	3.282	20	30		CGEDRM
COc1ccc(F)cc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000073974773	369868614	/nfs/dbraw/zinc/86/86/14/369868614.db2.gz	LKPPSRIOCLCMTK-LLVKDONJSA-N	-1	0	290.319	3.089	20	30		CGEDRM
Cc1ncoc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430595637	372390399	/nfs/dbraw/zinc/39/03/99/372390399.db2.gz	HXCACSICYYWKJD-VIFPVBQESA-N	-1	0	289.360	3.227	20	30		CGEDRM
Cc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)c(O)c1	ZINC000433132350	372581702	/nfs/dbraw/zinc/58/17/02/372581702.db2.gz	XAUISIYHAYQRHN-HNNXBMFYSA-N	-1	0	294.354	3.412	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000436483299	372836544	/nfs/dbraw/zinc/83/65/44/372836544.db2.gz	BXHSHMOYBHNURF-VIFPVBQESA-N	-1	0	271.719	3.269	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1n[nH]c(-c2ccccc2F)n1	ZINC000449842329	373941152	/nfs/dbraw/zinc/94/11/52/373941152.db2.gz	MOUILPIVNHJQJX-UHFFFAOYSA-N	-1	0	288.326	3.152	20	30		CGEDRM
C=C(C)CNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-]	ZINC000501518731	375639665	/nfs/dbraw/zinc/63/96/65/375639665.db2.gz	MQPGJICSEBWXMW-UHFFFAOYSA-N	-1	0	299.374	3.007	20	30		CGEDRM
N#Cc1ccc2[nH]c(-c3ccc(C(=O)[O-])cc3Cl)nc2c1	ZINC000543125543	376609589	/nfs/dbraw/zinc/60/95/89/376609589.db2.gz	AFXIPSZCENZZLH-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
C=CCOc1ccc(CN=c2nc(C3CC3)[n-]s2)cc1	ZINC000343245168	377938616	/nfs/dbraw/zinc/93/86/16/377938616.db2.gz	FCMFWPWKOSHRLV-UHFFFAOYSA-N	-1	0	287.388	3.014	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000343524731	378006607	/nfs/dbraw/zinc/00/66/07/378006607.db2.gz	MNKMAHLZTYJEFA-ZDUSSCGKSA-N	-1	0	299.374	3.053	20	30		CGEDRM
C=CCCCCN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000578644808	378088346	/nfs/dbraw/zinc/08/83/46/378088346.db2.gz	JAHZHIRJDCVCDL-AWEZNQCLSA-N	-1	0	259.349	3.421	20	30		CGEDRM
C=CCC(CC=C)C(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000345991536	378432849	/nfs/dbraw/zinc/43/28/49/378432849.db2.gz	HCVKMEBRFPBDSB-UHFFFAOYSA-N	-1	0	293.407	3.295	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1nccc2ccccc21	ZINC000361525532	381786825	/nfs/dbraw/zinc/78/68/25/381786825.db2.gz	NMWCKJIGNOSGLL-LBPRGKRZSA-N	-1	0	279.324	3.181	20	30		CGEDRM
CC(C)n1nccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000361871820	381873662	/nfs/dbraw/zinc/87/36/62/381873662.db2.gz	BSOAVINUKAZZTC-NSHDSACASA-N	-1	0	294.314	3.095	20	30		CGEDRM
CCc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000505479577	392669130	/nfs/dbraw/zinc/66/91/30/392669130.db2.gz	JQZATLBMQCKQEL-CLFYSBASSA-N	-1	0	278.311	3.384	20	30		CGEDRM
O=C(C=Cc1cccnc1)N[C@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000328585027	392676726	/nfs/dbraw/zinc/67/67/26/392676726.db2.gz	CHFVMGXOLOMOBQ-OZMYFSDFSA-N	-1	0	288.347	3.085	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)co1	ZINC000647379275	392711883	/nfs/dbraw/zinc/71/18/83/392711883.db2.gz	XBPDMGPMKZHNDX-SECBINFHSA-N	-1	0	287.344	3.061	20	30		CGEDRM
C=C(C)Cn1c(C2CCC2)n[n-]c1=Nc1cccc(OC)c1	ZINC000460383687	392958031	/nfs/dbraw/zinc/95/80/31/392958031.db2.gz	CLMPNWGCFYOCAS-UHFFFAOYSA-N	-1	0	298.390	3.296	20	30		CGEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000355241449	393276167	/nfs/dbraw/zinc/27/61/67/393276167.db2.gz	QNDSNXRQHKUFGU-JTQLQIEISA-N	-1	0	296.355	3.126	20	30		CGEDRM
C=CC[C@H]1N(C(=O)CC(C)(C)C(=O)[O-])CCCC1(C)C	ZINC000668320850	543006090	/nfs/dbraw/zinc/00/60/90/543006090.db2.gz	ITDGGIKFGBIQER-GFCCVEGCSA-N	-1	0	281.396	3.081	20	30		CGEDRM
C=C(Cl)CS[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735402570	572719719	/nfs/dbraw/zinc/71/97/19/572719719.db2.gz	XJYVFJXKKGDTNV-VIFPVBQESA-N	-1	0	280.784	3.413	20	30		CGEDRM
C=CCCOCCCCC(=O)Nc1c(O)cccc1F	ZINC000678862765	543567455	/nfs/dbraw/zinc/56/74/55/543567455.db2.gz	CMNDZPXFSHVCKE-UHFFFAOYSA-N	-1	0	281.327	3.233	20	30		CGEDRM
N#Cc1ccccc1COc1cc(Cl)ccc1C(=O)[O-]	ZINC000013013926	170528547	/nfs/dbraw/zinc/52/85/47/170528547.db2.gz	PARPFZHWTMKTTK-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1NCC#Cc1ccccc1	ZINC000020878731	171277648	/nfs/dbraw/zinc/27/76/48/171277648.db2.gz	UOYJJCIMDQCQMZ-UHFFFAOYSA-N	-1	0	265.312	3.157	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)c(C)s2)n1	ZINC000683688978	543931590	/nfs/dbraw/zinc/93/15/90/543931590.db2.gz	JWZRTCTUXARGCB-SECBINFHSA-N	-1	0	277.374	3.015	20	30		CGEDRM
N#CC(=C([O-])c1nccs1)c1nc2ccccc2s1	ZINC000683688631	543932010	/nfs/dbraw/zinc/93/20/10/543932010.db2.gz	DBQVAVJCVDGVID-QMMMGPOBSA-N	-1	0	285.353	3.243	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCCCC(=O)[O-]	ZINC000659406920	418983541	/nfs/dbraw/zinc/98/35/41/418983541.db2.gz	SUIOONXMYGCMQI-KGLIPLIRSA-N	-1	0	296.411	3.066	20	30		CGEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000183634091	261983615	/nfs/dbraw/zinc/98/36/15/261983615.db2.gz	UMZDCTMXPSAYHA-BONVTDFDSA-N	-1	0	292.766	3.248	20	30		CGEDRM
N#CC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CCCC1	ZINC000274506205	263025033	/nfs/dbraw/zinc/02/50/33/263025033.db2.gz	APPILPWIRJQSDH-UHFFFAOYSA-N	-1	0	282.702	3.207	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@H](C#N)c1c(Cl)cccc1Cl	ZINC000293292065	263139291	/nfs/dbraw/zinc/13/92/91/263139291.db2.gz	GCFPTKKHUNQZIN-MRVPVSSYSA-N	-1	0	293.100	3.329	20	30		CGEDRM
C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330762881	264031871	/nfs/dbraw/zinc/03/18/71/264031871.db2.gz	PKOBHFCZZKIUIR-GHMZBOCLSA-N	-1	0	292.335	3.431	20	30		CGEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(F)c1F	ZINC000522083524	268207285	/nfs/dbraw/zinc/20/72/85/268207285.db2.gz	SUPJUSWXNLBJIQ-GQCTYLIASA-N	-1	0	286.237	3.100	20	30		CGEDRM
Cc1c(C#N)cccc1NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000186883645	327704730	/nfs/dbraw/zinc/70/47/30/327704730.db2.gz	MRUWNQITQRUZMX-UHFFFAOYSA-N	-1	0	288.253	3.103	20	30		CGEDRM
CC(C)(C)c1nc(=N[C@@H]2CCCc3cc(C#N)ccc32)[n-]o1	ZINC000565588534	322083032	/nfs/dbraw/zinc/08/30/32/322083032.db2.gz	QYXKJZWCLYFGAI-CQSZACIVSA-N	-1	0	296.374	3.150	20	30		CGEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2cc(F)ccc2C#N)n1	ZINC000569867265	322259309	/nfs/dbraw/zinc/25/93/09/322259309.db2.gz	CWDUAXXBWTWMIH-UHFFFAOYSA-N	-1	0	287.294	3.014	20	30		CGEDRM
C=CCN=c1[n-]nc(SCC/C=C\CC)s1	ZINC000381556652	327595689	/nfs/dbraw/zinc/59/56/89/327595689.db2.gz	PHISVNIJNVGEOQ-WAYWQWQTSA-N	-1	0	255.412	3.006	20	30		CGEDRM
C=CCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000186069653	329337012	/nfs/dbraw/zinc/33/70/12/329337012.db2.gz	CVPNGLZBTAGQSV-UHFFFAOYSA-N	-1	0	284.699	3.249	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000398098131	329432887	/nfs/dbraw/zinc/43/28/87/329432887.db2.gz	RCFUZEFQNZIIPZ-ZDUSSCGKSA-N	-1	0	296.411	3.160	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000263246118	330050644	/nfs/dbraw/zinc/05/06/44/330050644.db2.gz	GDRXBNSMTQAJGR-VEAWUBTESA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCCCCN(C)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000263486305	330057687	/nfs/dbraw/zinc/05/76/87/330057687.db2.gz	PNGHKRVHPUUMTK-UHFFFAOYSA-N	-1	0	296.411	3.018	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1ccc(C(=O)[O-])cc1	ZINC000263503506	330058210	/nfs/dbraw/zinc/05/82/10/330058210.db2.gz	WGEGUCDCUJQQCW-UHFFFAOYSA-N	-1	0	274.364	3.147	20	30		CGEDRM
C=CCN=c1[n-]nc(SC[C@@H]2CCCC2(F)F)s1	ZINC000450606471	330989017	/nfs/dbraw/zinc/98/90/17/330989017.db2.gz	DWXOWAYWQISDJT-QMMMGPOBSA-N	-1	0	291.392	3.085	20	30		CGEDRM
CCCCCC[C@@H](CC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000077612891	528149952	/nfs/dbraw/zinc/14/99/52/528149952.db2.gz	YMUYYNNLGOVYSL-LLVKDONJSA-N	-1	0	287.367	3.088	20	30		CGEDRM
CC(C)Sc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000354464829	528331967	/nfs/dbraw/zinc/33/19/67/528331967.db2.gz	KWVSNGSNOYHPPJ-CYBMUJFWSA-N	-1	0	297.383	3.467	20	30		CGEDRM
N#Cc1ccc(NC2CCC(NC(=O)[O-])CC2)cc1Cl	ZINC000740315397	571756205	/nfs/dbraw/zinc/75/62/05/571756205.db2.gz	ITLVTUOKPLOBNP-UHFFFAOYSA-N	-1	0	293.754	3.202	20	30		CGEDRM
O=C([O-])c1cc(F)ccc1CON=Cc1cccs1	ZINC000740078915	571685053	/nfs/dbraw/zinc/68/50/53/571685053.db2.gz	XUDDRUZXHKQAEE-UHFFFAOYSA-N	-1	0	279.292	3.136	20	30		CGEDRM
Cc1cc(F)ccc1N(CC(=O)[O-])Cc1cccc(C#N)c1	ZINC000738397685	571701316	/nfs/dbraw/zinc/70/13/16/571701316.db2.gz	XUIHLRXLGPRHHP-UHFFFAOYSA-N	-1	0	298.317	3.097	20	30		CGEDRM
CCCCCC[C@@H]1CCCC1N=Nc1nnc(C)c(=O)[n-]1	ZINC000728156072	571790313	/nfs/dbraw/zinc/79/03/13/571790313.db2.gz	AIUPGUZZNTVPIW-GFCCVEGCSA-N	-1	0	291.399	3.424	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738489375	571802835	/nfs/dbraw/zinc/80/28/35/571802835.db2.gz	VCVRQSVALLMZCR-MRVPVSSYSA-N	-1	0	281.287	3.002	20	30		CGEDRM
C=CCCCOC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738494228	571804983	/nfs/dbraw/zinc/80/49/83/571804983.db2.gz	XTBHRGXMMKYNQS-GFCCVEGCSA-N	-1	0	297.738	3.158	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccccc2F)cs1	ZINC000730148878	571951976	/nfs/dbraw/zinc/95/19/76/571951976.db2.gz	OGFNIIZVDMKVDM-AATRIKPKSA-N	-1	0	276.288	3.482	20	30		CGEDRM
Cc1cc(F)ccc1N(CC(=O)[O-])Cc1ccc(C#N)cc1	ZINC000738397596	572373356	/nfs/dbraw/zinc/37/33/56/572373356.db2.gz	UFRZHUVOGYDZML-UHFFFAOYSA-N	-1	0	298.317	3.097	20	30		CGEDRM
N#Cc1ccc(COc2ccc(NC(=O)[O-])cc2)c(F)c1	ZINC000738432650	572375507	/nfs/dbraw/zinc/37/55/07/572375507.db2.gz	NAFNDCHSZGCYLD-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CCC(C)C	ZINC000732511520	572469227	/nfs/dbraw/zinc/46/92/27/572469227.db2.gz	MGHSMHPEVKHBEQ-UHFFFAOYSA-N	-1	0	291.457	3.229	20	30		CGEDRM
Cc1cc(O)c(C=NNc2cccc(C(=O)[O-])c2)cc1C	ZINC000741758795	572522995	/nfs/dbraw/zinc/52/29/95/572522995.db2.gz	CFFRKNURJCVGON-UHFFFAOYSA-N	-1	0	284.315	3.153	20	30		CGEDRM
C=CCCS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736107985	572768252	/nfs/dbraw/zinc/76/82/52/572768252.db2.gz	DTNGGOOQVWFRHL-SNVBAGLBSA-N	-1	0	281.377	3.210	20	30		CGEDRM
CC(C)C[C@@H](C/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000736404045	572787735	/nfs/dbraw/zinc/78/77/35/572787735.db2.gz	OHYUDQXGACLUOK-JRUYLCMPSA-N	-1	0	283.755	3.211	20	30		CGEDRM
Cc1ccc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)cc1	ZINC000746676674	572891370	/nfs/dbraw/zinc/89/13/70/572891370.db2.gz	JCBGQRQQVQUSNB-CYBMUJFWSA-N	-1	0	298.342	3.293	20	30		CGEDRM
CCc1ccccc1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000748134465	572962172	/nfs/dbraw/zinc/96/21/72/572962172.db2.gz	YAPGZDCGOIKLRD-UHFFFAOYSA-N	-1	0	285.303	3.309	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1	ZINC000765826736	598201272	/nfs/dbraw/zinc/20/12/72/598201272.db2.gz	SLCASKIGKYIQND-TWGQIWQCSA-N	-1	0	277.279	3.153	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000062827567	599880302	/nfs/dbraw/zinc/88/03/02/599880302.db2.gz	VYMWTXDHCRGANF-UHFFFAOYSA-N	-1	0	296.392	3.493	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1OCc1ccc(F)cc1C#N	ZINC000071249617	599891023	/nfs/dbraw/zinc/89/10/23/599891023.db2.gz	VRHSKOZMXISPJZ-UHFFFAOYSA-N	-1	0	285.274	3.283	20	30		CGEDRM
CC[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000900974109	620822886	/nfs/dbraw/zinc/82/28/86/620822886.db2.gz	KCOYXJOQPXUJDY-VIFPVBQESA-N	-1	0	286.253	3.100	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000040547130	599956701	/nfs/dbraw/zinc/95/67/01/599956701.db2.gz	NBOIBXIHSGKEBC-UHFFFAOYSA-N	-1	0	276.336	3.123	20	30		CGEDRM
C=CCN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(C)C	ZINC000162348482	600283436	/nfs/dbraw/zinc/28/34/36/600283436.db2.gz	LLRVRYTVSUCLEA-UHFFFAOYSA-N	-1	0	296.754	3.467	20	30		CGEDRM
COc1ccc([C@@H](CC(=O)[O-])/N=C\c2ccccc2O)cc1	ZINC000737947286	600494180	/nfs/dbraw/zinc/49/41/80/600494180.db2.gz	HPBCWLKDJYEQGH-JQFNYASXSA-N	-1	0	299.326	3.036	20	30		CGEDRM
Cc1cc(OCc2ccc(C#N)cc2)c(C(=O)[O-])s1	ZINC000070428748	600638475	/nfs/dbraw/zinc/63/84/75/600638475.db2.gz	UMLRHDDBFWLRHK-UHFFFAOYSA-N	-1	0	273.313	3.205	20	30		CGEDRM
C=CCOc1ccc(OCc2ccc(C(=O)[O-])o2)cc1	ZINC000825698402	600808177	/nfs/dbraw/zinc/80/81/77/600808177.db2.gz	HXHKNPMNUYXJQJ-UHFFFAOYSA-N	-1	0	274.272	3.122	20	30		CGEDRM
CCCC[C@H](Sc1nc(C)cc(C)c1C#N)C(=O)[O-]	ZINC000736986100	600936013	/nfs/dbraw/zinc/93/60/13/600936013.db2.gz	SYCWIPDWXBAPAI-LBPRGKRZSA-N	-1	0	278.377	3.306	20	30		CGEDRM
C=CC1CCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1	ZINC000825660168	601142065	/nfs/dbraw/zinc/14/20/65/601142065.db2.gz	YJDJEPCXSCYHHY-UHFFFAOYSA-N	-1	0	288.347	3.123	20	30		CGEDRM
CC(C)Oc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000827038181	601330574	/nfs/dbraw/zinc/33/05/74/601330574.db2.gz	JMHQQVRSWDISQP-POHAHGRESA-N	-1	0	299.326	3.396	20	30		CGEDRM
C=CCCCC(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000825665165	601451637	/nfs/dbraw/zinc/45/16/37/601451637.db2.gz	WNQKJXJHLCDBGH-UHFFFAOYSA-N	-1	0	261.321	3.094	20	30		CGEDRM
C=CCCCC(=O)Oc1ccc(SCC(=O)[O-])cc1	ZINC000825671630	601871693	/nfs/dbraw/zinc/87/16/93/601871693.db2.gz	YBFAOVGHDAKSBP-UHFFFAOYSA-N	-1	0	280.345	3.125	20	30		CGEDRM
Cc1ccc(NCCCC(C)(C)C#N)cc1C(=O)[O-]	ZINC000832951100	601910634	/nfs/dbraw/zinc/91/06/34/601910634.db2.gz	CXCATQYARQPLRQ-UHFFFAOYSA-N	-1	0	260.337	3.435	20	30		CGEDRM
N#Cc1cc(CNc2ccc(CCC(=O)[O-])cc2)ccc1F	ZINC000833068835	602102399	/nfs/dbraw/zinc/10/23/99/602102399.db2.gz	MWRCCWXDCHMYIN-UHFFFAOYSA-N	-1	0	298.317	3.327	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2cc(F)ccc2[O-])c(C2CC2)n1	ZINC000899361952	620667601	/nfs/dbraw/zinc/66/76/01/620667601.db2.gz	FZTXRWUMJJMZJV-XQRVVYSFSA-N	-1	0	286.306	3.038	20	30		CGEDRM
CC(C)N(Cc1ccco1)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833497406	604604392	/nfs/dbraw/zinc/60/43/92/604604392.db2.gz	AWBVJGQSJTVFDQ-UHFFFAOYSA-N	-1	0	298.342	3.260	20	30		CGEDRM
C/C=C(/C=C/C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)CC	ZINC000828542847	604619034	/nfs/dbraw/zinc/61/90/34/604619034.db2.gz	OBHMWYYLXZTFFX-XTSBZGAESA-N	-1	0	299.326	3.140	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1	ZINC000833309877	604628193	/nfs/dbraw/zinc/62/81/93/604628193.db2.gz	HWYSYMIOHOCVAR-LREOWRDNSA-N	-1	0	294.306	3.216	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000098090649	604629133	/nfs/dbraw/zinc/62/91/33/604629133.db2.gz	JXLLNHLUHMJAKK-WCIBSUBMSA-N	-1	0	282.295	3.290	20	30		CGEDRM
CC(=NNc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1	ZINC000825809244	604632789	/nfs/dbraw/zinc/63/27/89/604632789.db2.gz	PEZORORCGDYDOK-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(c2cccc(F)c2C#N)C1	ZINC000134983359	604872059	/nfs/dbraw/zinc/87/20/59/604872059.db2.gz	PPZWAXIDWYWIQA-NSHDSACASA-N	-1	0	290.338	3.025	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000134986626	604873613	/nfs/dbraw/zinc/87/36/13/604873613.db2.gz	PNJUEHWWXIGHFK-GFCCVEGCSA-N	-1	0	290.338	3.025	20	30		CGEDRM
C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21	ZINC000828410414	604961757	/nfs/dbraw/zinc/96/17/57/604961757.db2.gz	BGZZHBKYFCAUEX-YVEFUNNKSA-N	-1	0	292.338	3.308	20	30		CGEDRM
C=CCC[C@H](C)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833373700	604991863	/nfs/dbraw/zinc/99/18/63/604991863.db2.gz	YXDINUJATKTXAG-LBPRGKRZSA-N	-1	0	276.332	3.215	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2cccn2[C@H](C)C(=O)[O-])c1	ZINC000833749704	605041336	/nfs/dbraw/zinc/04/13/36/605041336.db2.gz	SASDRTDRSXEADS-LLVKDONJSA-N	-1	0	289.310	3.027	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000398007837	605059247	/nfs/dbraw/zinc/05/92/47/605059247.db2.gz	AKLXTDMTUQDNLT-GFCCVEGCSA-N	-1	0	290.363	3.180	20	30		CGEDRM
C=C[C@H](CC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1	ZINC000833371073	605168186	/nfs/dbraw/zinc/16/81/86/605168186.db2.gz	LLIHGFFPIJYYHJ-GFCCVEGCSA-N	-1	0	296.326	3.078	20	30		CGEDRM
CC(C)(C#N)CCCOc1ccc(NC(=O)[O-])cc1	ZINC000823738121	605353643	/nfs/dbraw/zinc/35/36/43/605353643.db2.gz	RZEOQSNUFXSXAH-UHFFFAOYSA-N	-1	0	262.309	3.485	20	30		CGEDRM
C[C@@]1(C#N)CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1	ZINC000833552008	605417200	/nfs/dbraw/zinc/41/72/00/605417200.db2.gz	XZLTUMJPXNUNMJ-ZFWWWQNUSA-N	-1	0	292.766	3.091	20	30		CGEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ccc(Cl)nc1	ZINC000824759045	605465123	/nfs/dbraw/zinc/46/51/23/605465123.db2.gz	GXINTSFKUJZSRW-NSHDSACASA-N	-1	0	296.758	3.055	20	30		CGEDRM
O=C([O-])NCCCN=Nc1c(Cl)cccc1Cl	ZINC000832605508	605470372	/nfs/dbraw/zinc/47/03/72/605470372.db2.gz	ZLZYKMXRRMDJEA-UHFFFAOYSA-N	-1	0	276.123	3.049	20	30		CGEDRM
C=CCC(CC=C)C(=O)OCc1ccccc1C(=O)[O-]	ZINC000833369824	605514949	/nfs/dbraw/zinc/51/49/49/605514949.db2.gz	FVVRPYPTFRVXCX-UHFFFAOYSA-N	-1	0	274.316	3.196	20	30		CGEDRM
CC(C)(CCC#N)CNc1ccc(CCC(=O)[O-])cc1	ZINC000833457511	605545610	/nfs/dbraw/zinc/54/56/10/605545610.db2.gz	ZQEKLQOAZZDNIU-UHFFFAOYSA-N	-1	0	274.364	3.446	20	30		CGEDRM
CC1(C)CC(N=Nc2cccc(C(=O)[O-])c2)C(C)(C)O1	ZINC000755870922	605592461	/nfs/dbraw/zinc/59/24/61/605592461.db2.gz	AWXHPQHSNCLHHR-UHFFFAOYSA-N	-1	0	276.336	3.130	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(F)c1F	ZINC000776257774	605593629	/nfs/dbraw/zinc/59/36/29/605593629.db2.gz	ORBWGROLAIVXJQ-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C	ZINC000826820351	605739653	/nfs/dbraw/zinc/73/96/53/605739653.db2.gz	LULQCKUCRBMYFS-KGLIPLIRSA-N	-1	0	298.427	3.384	20	30		CGEDRM
C=CCN(CC=C)C(=O)Nc1cc(NC(=O)[O-])ccc1C	ZINC000833787848	606010122	/nfs/dbraw/zinc/01/01/22/606010122.db2.gz	FCMJCPSOUACHAC-UHFFFAOYSA-N	-1	0	289.335	3.291	20	30		CGEDRM
C=CC[C@@H]1CCN1C(=O)c1ccc(OCCCC)cc1O	ZINC000890552780	617637820	/nfs/dbraw/zinc/63/78/20/617637820.db2.gz	REHDYPRASDACCY-CYBMUJFWSA-N	-1	0	289.375	3.362	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000046927417	618039666	/nfs/dbraw/zinc/03/96/66/618039666.db2.gz	FJPZJTSRIBOWPU-UHFFFAOYSA-N	-1	0	269.366	3.076	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000255273719	618147834	/nfs/dbraw/zinc/14/78/34/618147834.db2.gz	KWEGBFABGINGLE-ALCCZGGFSA-N	-1	0	267.259	3.299	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)N(CCC)[C@@H](C)C(=O)[O-])c1	ZINC000900355342	620781765	/nfs/dbraw/zinc/78/17/65/620781765.db2.gz	LQWPQMDMZSBCAK-LBPRGKRZSA-N	-1	0	290.363	3.437	20	30		CGEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1C=CCC1	ZINC000077881615	618217917	/nfs/dbraw/zinc/21/79/17/618217917.db2.gz	DYTSYWYAOFELFJ-STQMWFEESA-N	-1	0	293.388	3.390	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255553982	618668327	/nfs/dbraw/zinc/66/83/27/618668327.db2.gz	DKNKKCMXMWLLGY-ALCCZGGFSA-N	-1	0	294.266	3.068	20	30		CGEDRM
C[C@H](CC1CCCC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176828798	618742146	/nfs/dbraw/zinc/74/21/46/618742146.db2.gz	TZGPFMDTCMTORK-LLVKDONJSA-N	-1	0	272.348	3.419	20	30		CGEDRM
COc1ccc([O-])c(C(=O)/C=C\c2cc(C#N)cs2)c1	ZINC000255754397	618785016	/nfs/dbraw/zinc/78/50/16/618785016.db2.gz	FJYZOGRZYISQCT-HYXAFXHYSA-N	-1	0	285.324	3.230	20	30		CGEDRM
Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C=Cc1ccco1	ZINC000255830001	618794887	/nfs/dbraw/zinc/79/48/87/618794887.db2.gz	GDGJJOKQVVSWEA-YXVBKTCISA-N	-1	0	291.310	3.056	20	30		CGEDRM
CCn1cc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cn1	ZINC000255830922	618795540	/nfs/dbraw/zinc/79/55/40/618795540.db2.gz	KPSAXPCUFHWLQY-HYXAFXHYSA-N	-1	0	276.723	3.158	20	30		CGEDRM
CN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000255898878	618872515	/nfs/dbraw/zinc/87/25/15/618872515.db2.gz	UFDGTECCMDGTQK-UITAMQMPSA-N	-1	0	285.318	3.493	20	30		CGEDRM
O=C(/C=C/c1cccc2nccn21)c1cc(F)ccc1[O-]	ZINC000180315568	618873523	/nfs/dbraw/zinc/87/35/23/618873523.db2.gz	XRAXCZJLEPZQDY-FNORWQNLSA-N	-1	0	282.274	3.075	20	30		CGEDRM
CCCCCCCC(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000164594026	618894795	/nfs/dbraw/zinc/89/47/95/618894795.db2.gz	KKAXVCPRPZVBBX-SWLSCSKDSA-N	-1	0	269.385	3.107	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000312869143	619153893	/nfs/dbraw/zinc/15/38/93/619153893.db2.gz	OJMSZHNJHMWXDW-KBPBESRZSA-N	-1	0	283.412	3.306	20	30		CGEDRM
CCCCCCCC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000232925202	619294019	/nfs/dbraw/zinc/29/40/19/619294019.db2.gz	YKYMOVGMNLUZOQ-OCCSQVGLSA-N	-1	0	269.385	3.059	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1	ZINC000086054412	619393047	/nfs/dbraw/zinc/39/30/47/619393047.db2.gz	VHYPSMSIULFZEX-GHMZBOCLSA-N	-1	0	273.398	3.042	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cccc(Cl)c2)c1	ZINC000814693176	619421872	/nfs/dbraw/zinc/42/18/72/619421872.db2.gz	AAMVHSUUGIEVTM-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
CC(=NNc1ccc(F)cc1)c1csc(C(=O)[O-])c1	ZINC000814693536	619421977	/nfs/dbraw/zinc/42/19/77/619421977.db2.gz	WKFRNTMQHLFDHW-UHFFFAOYSA-N	-1	0	278.308	3.422	20	30		CGEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)cc1	ZINC000048517939	619502453	/nfs/dbraw/zinc/50/24/53/619502453.db2.gz	PWBKMARSMSTPMT-UHFFFAOYSA-N	-1	0	281.377	3.221	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000793146046	619689205	/nfs/dbraw/zinc/68/92/05/619689205.db2.gz	OMXQWYCUAZPTQW-SECBINFHSA-N	-1	0	278.352	3.183	20	30		CGEDRM
C[C@H](Oc1cccc(/C=C\C(=O)c2ccccc2)c1)C(=O)[O-]	ZINC000208111181	620184898	/nfs/dbraw/zinc/18/48/98/620184898.db2.gz	KGGNYBRCMVFJMS-OEYXZAGESA-N	-1	0	296.322	3.435	20	30		CGEDRM
CCOc1ccc(C#N)cc1NC1CCC(C(=O)[O-])CC1	ZINC000263446361	620319225	/nfs/dbraw/zinc/31/92/25/620319225.db2.gz	YAGPXBVXIUYTDW-UHFFFAOYSA-N	-1	0	288.347	3.012	20	30		CGEDRM
Cc1csc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000067734975	620376479	/nfs/dbraw/zinc/37/64/79/620376479.db2.gz	YNADZGSARLROAR-RGEMTFFCSA-N	-1	0	291.332	3.245	20	30		CGEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cnn(C2CCC2)c1	ZINC000901157822	620835291	/nfs/dbraw/zinc/83/52/91/620835291.db2.gz	ASIYIMGPSSORJL-UHFFFAOYSA-N	-1	0	298.346	3.142	20	30		CGEDRM
O=C([O-])c1cc(C=NNCC2CCCC2)sc1Cl	ZINC000901239614	620845404	/nfs/dbraw/zinc/84/54/04/620845404.db2.gz	UHYXGDOTWKWTJS-UHFFFAOYSA-N	-1	0	286.784	3.213	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC1CCC(F)(F)CC1	ZINC000901340202	620857301	/nfs/dbraw/zinc/85/73/01/620857301.db2.gz	BNWNTSLCLBWLJZ-ZJUUUORDSA-N	-1	0	288.338	3.031	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC000902280112	621222916	/nfs/dbraw/zinc/22/29/16/621222916.db2.gz	OORYKPBCJZGRIP-SREVYHEPSA-N	-1	0	291.347	3.100	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)Nc1cccc(C)c1C)C(=O)[O-]	ZINC000905016569	622028107	/nfs/dbraw/zinc/02/81/07/622028107.db2.gz	UBKJMALRNWGTED-CQSZACIVSA-N	-1	0	290.363	3.234	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000907756446	622310468	/nfs/dbraw/zinc/31/04/68/622310468.db2.gz	KJKCNPFVNROQFQ-TUKIKUTGSA-N	-1	0	287.359	3.018	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000907846212	622314936	/nfs/dbraw/zinc/31/49/36/622314936.db2.gz	YMHXLXZYJLQQRP-JTQLQIEISA-N	-1	0	279.311	3.373	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1	ZINC000909835867	622429613	/nfs/dbraw/zinc/42/96/13/622429613.db2.gz	KHBLYEMCRJTFIL-LLVKDONJSA-N	-1	0	273.332	3.170	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C2CCC2)c1)C(=O)[O-]	ZINC000910293377	622473560	/nfs/dbraw/zinc/47/35/60/622473560.db2.gz	XUCQFUUAEITOIP-OAHLLOKOSA-N	-1	0	287.359	3.103	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000910366650	622478920	/nfs/dbraw/zinc/47/89/20/622478920.db2.gz	GPOLOCSGKHLHFS-LBPRGKRZSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)c1ccccc1C(C)C)C(=O)[O-]	ZINC000910924908	622509030	/nfs/dbraw/zinc/50/90/30/622509030.db2.gz	GQFHRZGMCWFQHN-OAHLLOKOSA-N	-1	0	289.375	3.349	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910922589	622509245	/nfs/dbraw/zinc/50/92/45/622509245.db2.gz	KVSYJBLBIVGTMK-UKRRQHHQSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910947815	622511952	/nfs/dbraw/zinc/51/19/52/622511952.db2.gz	NTIBMMFJXHSELE-UHFFFAOYSA-N	-1	0	291.372	3.239	20	30		CGEDRM
CCCCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC000911659404	622541523	/nfs/dbraw/zinc/54/15/23/622541523.db2.gz	KTGYKNZEHOWPSI-AWEZNQCLSA-N	-1	0	292.379	3.074	20	30		CGEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045100335	622842979	/nfs/dbraw/zinc/84/29/79/622842979.db2.gz	FTSWBRVCJJOSFL-UHFFFAOYSA-N	-1	0	287.356	3.048	20	30		CGEDRM
C[C@@H]1CCC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000914703473	623848221	/nfs/dbraw/zinc/84/82/21/623848221.db2.gz	RTWGCBRGPCZCGB-VWPRCBEWSA-N	-1	0	262.309	3.298	20	30		CGEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2ccccc2F)cc1	ZINC000915105732	623896075	/nfs/dbraw/zinc/89/60/75/623896075.db2.gz	BKHKZPRDNZVPLD-MDZDMXLPSA-N	-1	0	284.286	3.349	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1	ZINC000916240716	624125471	/nfs/dbraw/zinc/12/54/71/624125471.db2.gz	LFBZPJFJGZPTDM-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
CCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255212	624125846	/nfs/dbraw/zinc/12/58/46/624125846.db2.gz	KBFZQMSPBJIIQX-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cccs1	ZINC000916870260	624220271	/nfs/dbraw/zinc/22/02/71/624220271.db2.gz	DIGISWBIMLSFIE-ZDUSSCGKSA-N	-1	0	295.363	3.371	20	30		CGEDRM
CC(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000920106307	624447717	/nfs/dbraw/zinc/44/77/17/624447717.db2.gz	WJRWLEBHERXCER-ZDUSSCGKSA-N	-1	0	280.327	3.334	20	30		CGEDRM
O=C([O-])c1ccc(N=NC=CCc2ccco2)cc1	ZINC000920359741	624482806	/nfs/dbraw/zinc/48/28/06/624482806.db2.gz	QVHTUJNWXRWIRE-VLOLNGOMSA-N	-1	0	256.261	3.089	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CC=CCC2)c1	ZINC000920991580	624558570	/nfs/dbraw/zinc/55/85/70/624558570.db2.gz	VZVWMFSVPUGOEO-SAIXKJTDSA-N	-1	0	260.293	3.076	20	30		CGEDRM
O=C1c2cc(F)ccc2OC/C1=C\c1ccc(O)c(F)c1	ZINC000755592963	626630349	/nfs/dbraw/zinc/63/03/49/626630349.db2.gz	LDDXKZWFQQHYQT-BJMVGYQFSA-N	-1	0	288.249	3.329	20	30		CGEDRM
CCC(=NO[C@@H]1CCCCO1)c1ccc(C(=O)[O-])cc1	ZINC000755823679	626651365	/nfs/dbraw/zinc/65/13/65/626651365.db2.gz	NCXXFKZIXRJOGX-CQSZACIVSA-N	-1	0	277.320	3.042	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1CCCCC1	ZINC000756901660	626740405	/nfs/dbraw/zinc/74/04/05/626740405.db2.gz	VCTUOFOXNPJFMY-UHFFFAOYSA-N	-1	0	276.336	3.371	20	30		CGEDRM
COc1cc(F)ccc1NN=C(C)c1sccc1[O-]	ZINC000761884596	627071641	/nfs/dbraw/zinc/07/16/41/627071641.db2.gz	KWKFYKHARFWEEI-UHFFFAOYSA-N	-1	0	280.324	3.438	20	30		CGEDRM
COc1ccsc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000764433402	627207304	/nfs/dbraw/zinc/20/73/04/627207304.db2.gz	SAICJIBOXHQEPO-SNAWJCMRSA-N	-1	0	278.304	3.498	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(F)cc2)c1	ZINC000765823348	627273464	/nfs/dbraw/zinc/27/34/64/627273464.db2.gz	DBNDVRRHEAOIEM-WTKPLQERSA-N	-1	0	270.259	3.420	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(C#N)c(C)c2)c([O-])c1	ZINC000766489347	627337197	/nfs/dbraw/zinc/33/71/97/627337197.db2.gz	CQYPEQRJIFNLQO-YWEYNIOJSA-N	-1	0	293.322	3.477	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000766771309	627359273	/nfs/dbraw/zinc/35/92/73/627359273.db2.gz	BWAFCXPFOOXRKJ-VMPITWQZSA-N	-1	0	281.311	3.238	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCc2cccs2)c1	ZINC000769548167	627565050	/nfs/dbraw/zinc/56/50/50/627565050.db2.gz	GSTCQPIZHMUEOP-XNTDXEJSSA-N	-1	0	290.344	3.414	20	30		CGEDRM
COc1cccc(NN=C(C)c2sccc2[O-])c1	ZINC000769779005	627577305	/nfs/dbraw/zinc/57/73/05/627577305.db2.gz	YKLLADPXYKNWCX-UHFFFAOYSA-N	-1	0	262.334	3.298	20	30		CGEDRM
CC(=NNc1ccc(Cl)nc1)c1sccc1[O-]	ZINC000769791702	627578470	/nfs/dbraw/zinc/57/84/70/627578470.db2.gz	RLPZKBXDWZJKDS-UHFFFAOYSA-N	-1	0	267.741	3.338	20	30		CGEDRM
Cc1cccc2c1C/C(=C/c1cc([O-])ccc1[N+](=O)[O-])C2=O	ZINC000772805559	627824597	/nfs/dbraw/zinc/82/45/97/627824597.db2.gz	IRTCIWHNLVIHFW-GHXNOFRVSA-N	-1	0	295.294	3.431	20	30		CGEDRM
COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1C	ZINC000773026700	627843798	/nfs/dbraw/zinc/84/37/98/627843798.db2.gz	XCXODZCRJFXUKG-UHFFFAOYSA-N	-1	0	284.315	3.148	20	30		CGEDRM
CCCCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)CC	ZINC000775240759	628074874	/nfs/dbraw/zinc/07/48/74/628074874.db2.gz	SHQPCVOTRUUGEX-ZDUSSCGKSA-N	-1	0	291.457	3.229	20	30		CGEDRM
CC(N=Nc1ccccc1C(=O)[O-])C1CCSCC1	ZINC000777431203	628269650	/nfs/dbraw/zinc/26/96/50/628269650.db2.gz	YINZSCNOIRRJLZ-UHFFFAOYSA-N	-1	0	278.377	3.316	20	30		CGEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OC1CCCCC1	ZINC000779320420	628407392	/nfs/dbraw/zinc/40/73/92/628407392.db2.gz	KCWXZZYKXVICQU-AWEZNQCLSA-N	-1	0	284.400	3.338	20	30		CGEDRM
CCC(N=Nc1ccc(OC)cn1)c1ccc(C(=O)[O-])cc1	ZINC000780274431	628475649	/nfs/dbraw/zinc/47/56/49/628475649.db2.gz	BFYRWBAHLKFQTG-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2ccc(F)nc2C)c([O-])c1	ZINC000782341495	628640807	/nfs/dbraw/zinc/64/08/07/628640807.db2.gz	KTHRQGGDQOXLAA-CLTKARDFSA-N	-1	0	287.290	3.139	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cc3ccccc3[nH]2)c1	ZINC000788408137	629050253	/nfs/dbraw/zinc/05/02/53/629050253.db2.gz	IWHCDCFWRMUMLZ-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cc2ccccc2[nH]1	ZINC000788422877	629050838	/nfs/dbraw/zinc/05/08/38/629050838.db2.gz	NNAMBSOYQCEMET-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(Cl)n1	ZINC000788695321	629073992	/nfs/dbraw/zinc/07/39/92/629073992.db2.gz	YJMZTTLXNXDUPQ-UHFFFAOYSA-N	-1	0	289.722	3.188	20	30		CGEDRM
CC[C@@H](NN=C(C)c1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000793070820	629407248	/nfs/dbraw/zinc/40/72/48/629407248.db2.gz	FHVJHPZOWXKANR-LLVKDONJSA-N	-1	0	289.162	3.170	20	30		CGEDRM
CC(=NN[C@H](C)C(C)(C)C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000793115847	629412981	/nfs/dbraw/zinc/41/29/81/629412981.db2.gz	POQSUGGQYONEJY-SNVBAGLBSA-N	-1	0	279.340	3.049	20	30		CGEDRM
CC[C@H](C)CON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000793159333	629418012	/nfs/dbraw/zinc/41/80/12/629418012.db2.gz	NIFOLVMSIBWVAO-FZMZJTMJSA-N	-1	0	275.348	3.415	20	30		CGEDRM
CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736420	629499217	/nfs/dbraw/zinc/49/92/17/629499217.db2.gz	WLWBIHSCCKSIQP-CHWSQXEVSA-N	-1	0	272.348	3.419	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCF)cc1	ZINC000794857919	629590352	/nfs/dbraw/zinc/59/03/52/629590352.db2.gz	ZJSVJYGTBVMCNQ-JTQLQIEISA-N	-1	0	264.300	3.312	20	30		CGEDRM
CC(C)n1nccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000794941429	629603040	/nfs/dbraw/zinc/60/30/40/629603040.db2.gz	OLETYVXATGXLLX-XQRVVYSFSA-N	-1	0	274.295	3.205	20	30		CGEDRM
O=C([O-])c1cccc(/C=C2\CCc3ccc(O)cc3C2=O)c1	ZINC000794960103	629606584	/nfs/dbraw/zinc/60/65/84/629606584.db2.gz	KWHMZTYYEWGAQC-MDWZMJQESA-N	-1	0	294.306	3.303	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)CCCCC)C(=O)[O-]	ZINC000864187502	629794351	/nfs/dbraw/zinc/79/43/51/629794351.db2.gz	MIQRJVXOQWTLBZ-STQMWFEESA-N	-1	0	269.385	3.129	20	30		CGEDRM
C=CCC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCC1	ZINC000864227362	629799368	/nfs/dbraw/zinc/79/93/68/629799368.db2.gz	XMOCAQHJDORTEE-ZDUSSCGKSA-N	-1	0	299.370	3.338	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CCC(F)(F)C2)c1	ZINC000797959390	630008734	/nfs/dbraw/zinc/00/87/34/630008734.db2.gz	MGVDWLWTFPBWHT-VIFPVBQESA-N	-1	0	280.274	3.028	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1cccc(C)c1C)C(=O)[O-]	ZINC000865214123	630026853	/nfs/dbraw/zinc/02/68/53/630026853.db2.gz	NRENJKJAGSZZQF-GFCCVEGCSA-N	-1	0	296.754	3.021	20	30		CGEDRM
Cc1[nH]c(C=NNc2cccc3c2CCCC3)cc1C(=O)[O-]	ZINC000800810220	630300445	/nfs/dbraw/zinc/30/04/45/630300445.db2.gz	JEFABSAIYBAILO-UHFFFAOYSA-N	-1	0	297.358	3.346	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)nc2C)n1	ZINC000802032861	630375003	/nfs/dbraw/zinc/37/50/03/630375003.db2.gz	WRMUIGBOPRPXRH-JTQLQIEISA-N	-1	0	291.763	3.298	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1c[nH]c(C(F)(F)F)c1	ZINC000807958294	630608161	/nfs/dbraw/zinc/60/81/61/630608161.db2.gz	SIFQIPJKVKXTGO-UHFFFAOYSA-N	-1	0	297.236	3.178	20	30		CGEDRM
C=CCCCCCCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000811628409	631094736	/nfs/dbraw/zinc/09/47/36/631094736.db2.gz	WUMAUEKOONYOMR-LSDHHAIUSA-N	-1	0	293.407	3.296	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCCC2=NOCC(F)F	ZINC000811647627	631096494	/nfs/dbraw/zinc/09/64/94/631096494.db2.gz	UPWRDNFESPSKIN-UHFFFAOYSA-N	-1	0	283.274	3.097	20	30		CGEDRM
CCC(=NOC/C=C\Cl)c1cc(C(=O)[O-])ccc1F	ZINC000811669413	631107539	/nfs/dbraw/zinc/10/75/39/631107539.db2.gz	DQSQIHFNEPKHKZ-DSWLTXPOSA-N	-1	0	285.702	3.407	20	30		CGEDRM
N#Cc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])cs1)C2	ZINC000811695108	631110916	/nfs/dbraw/zinc/11/09/16/631110916.db2.gz	XVGROPQXSCFLMT-VZUCSPMQSA-N	-1	0	295.319	3.140	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1	ZINC000837048438	634848101	/nfs/dbraw/zinc/84/81/01/634848101.db2.gz	RWHOIIUSZUJXKL-LBPRGKRZSA-N	-1	0	287.281	3.433	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@H](c3ccccc3)C2)n1	ZINC000814683221	631622243	/nfs/dbraw/zinc/62/22/43/631622243.db2.gz	UWPLVGSQINMDLG-ZDUSSCGKSA-N	-1	0	282.347	3.226	20	30		CGEDRM
CSC(C)(C)CCN=Nc1ccccc1C(=O)[O-]	ZINC000814768739	631635449	/nfs/dbraw/zinc/63/54/49/631635449.db2.gz	KOHTZFKGBHHBJI-UHFFFAOYSA-N	-1	0	266.366	3.314	20	30		CGEDRM
[O-]c1cc(F)c(Cl)cc1C=Nn1cnc2ccccc21	ZINC000814779960	631637768	/nfs/dbraw/zinc/63/77/68/631637768.db2.gz	WDWJDUTWJCJNHK-UHFFFAOYSA-N	-1	0	289.697	3.417	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cccc(C#N)c1	ZINC000814787242	631639999	/nfs/dbraw/zinc/63/99/99/631639999.db2.gz	XLQSNTSGELAJSO-UHFFFAOYSA-N	-1	0	293.326	3.319	20	30		CGEDRM
C[C@H]1C(=NNCc2ccccc2Cl)CC[C@@H]1CC(=O)[O-]	ZINC000814813046	631647415	/nfs/dbraw/zinc/64/74/15/631647415.db2.gz	TWFXIVAFJANQJH-GHMZBOCLSA-N	-1	0	294.782	3.306	20	30		CGEDRM
Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814822828	631649253	/nfs/dbraw/zinc/64/92/53/631649253.db2.gz	GEKIFLASKORWTD-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
C[C@H]1C(=NNC2CCCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814832381	631650656	/nfs/dbraw/zinc/65/06/56/631650656.db2.gz	DDIXSYIUFZYAPZ-CMPLNLGQSA-N	-1	0	266.385	3.032	20	30		CGEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)nc1	ZINC000814831424	631651098	/nfs/dbraw/zinc/65/10/98/631651098.db2.gz	AYNMPOZZZNVCNA-RYUDHWBXSA-N	-1	0	289.379	3.315	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(F)c2F)CC[C@H]1CC(=O)[O-]	ZINC000814859063	631657323	/nfs/dbraw/zinc/65/73/23/631657323.db2.gz	IWRHEGWKDOMXOW-BDAKNGLRSA-N	-1	0	282.290	3.254	20	30		CGEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(Cl)cc1	ZINC000814875584	631661814	/nfs/dbraw/zinc/66/18/14/631661814.db2.gz	NMHKCCXGAARFPW-PWSUYJOCSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@H]1CC(=NOCc2ccc(F)cc2)CC[C@@H]1C(=O)[O-]	ZINC000814903564	631673721	/nfs/dbraw/zinc/67/37/21/631673721.db2.gz	PBSQFTKMFLBHBR-HZMBPMFUSA-N	-1	0	279.311	3.219	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCCC(F)(F)F	ZINC000814910094	631677806	/nfs/dbraw/zinc/67/78/06/631677806.db2.gz	QFPAQIIHJMVOLC-UHFFFAOYSA-N	-1	0	289.253	3.305	20	30		CGEDRM
COc1ccccc1CON=C(C)CC1(C(=O)[O-])CCC1	ZINC000814922733	631682710	/nfs/dbraw/zinc/68/27/10/631682710.db2.gz	UWETZDMHLNIFLM-UHFFFAOYSA-N	-1	0	291.347	3.233	20	30		CGEDRM
CC(=NNCC(=O)[O-])c1cc(F)ccc1SC(C)(C)C	ZINC000814960969	631699041	/nfs/dbraw/zinc/69/90/41/631699041.db2.gz	ZWHPVBSQIRMCFQ-UHFFFAOYSA-N	-1	0	298.383	3.115	20	30		CGEDRM
CCOc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000814984678	631702338	/nfs/dbraw/zinc/70/23/38/631702338.db2.gz	SZMLCZGCAJNBRE-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
CC(C)(CCC#N)CNc1ccc(CNC(=O)[O-])cc1	ZINC000826541955	633412740	/nfs/dbraw/zinc/41/27/40/633412740.db2.gz	CNBJUQFPLWEHNX-UHFFFAOYSA-N	-1	0	275.352	3.196	20	30		CGEDRM
C[C@]1(C#N)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000827649388	633507904	/nfs/dbraw/zinc/50/79/04/633507904.db2.gz	JWZFRODRCNVNAL-CYBMUJFWSA-N	-1	0	285.174	3.435	20	30		CGEDRM
C[C@H]1CCC[C@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000827829021	633522591	/nfs/dbraw/zinc/52/25/91/633522591.db2.gz	IGTSVOFPKWJLRX-BONVTDFDSA-N	-1	0	258.321	3.029	20	30		CGEDRM
C=CCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCC1	ZINC000870689740	633626713	/nfs/dbraw/zinc/62/67/13/633626713.db2.gz	ATNSDTFYKOBOKO-UHFFFAOYSA-N	-1	0	270.332	3.105	20	30		CGEDRM
CC1(C)CCc2c([n-]n(-c3ccc(C#N)cc3)c2=O)C1	ZINC000871943572	633921113	/nfs/dbraw/zinc/92/11/13/633921113.db2.gz	MVHCAXCHCOFEOE-ZDUSSCGKSA-N	-1	0	267.332	3.087	20	30		CGEDRM
CC1(C)CCc2c([n-]n(-c3cccc(C#N)c3)c2=O)C1	ZINC000871941796	633921372	/nfs/dbraw/zinc/92/13/72/633921372.db2.gz	IIDFAQBTNOYJEI-CYBMUJFWSA-N	-1	0	267.332	3.087	20	30		CGEDRM
CCC1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1	ZINC000835006354	634311577	/nfs/dbraw/zinc/31/15/77/634311577.db2.gz	CUDCSNKBLZIPAV-UHFFFAOYSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC[C@@H]1C[C@@H](CN=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010266	634314152	/nfs/dbraw/zinc/31/41/52/634314152.db2.gz	VQQGQTJNHFVYOV-CMPLNLGQSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCC1(CN=Nc2ccc(C(=O)[O-])cc2F)CCOCC1	ZINC000835012837	634317141	/nfs/dbraw/zinc/31/71/41/634317141.db2.gz	WTQWADQWNUYKMP-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1C[C@@H]1C	ZINC000841640315	635206287	/nfs/dbraw/zinc/20/62/87/635206287.db2.gz	FBCHONNNRBTQPQ-GZMMTYOYSA-N	-1	0	264.300	3.358	20	30		CGEDRM
C=C/C=C/CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000877879287	635250125	/nfs/dbraw/zinc/25/01/25/635250125.db2.gz	WHGCRWGRILYUGZ-VOTSOKGWSA-N	-1	0	273.380	3.475	20	30		CGEDRM
CCCON=C(C)CCc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000842550533	635402317	/nfs/dbraw/zinc/40/23/17/635402317.db2.gz	HOISNBMIOYJCAO-CYBMUJFWSA-N	-1	0	293.363	3.274	20	30		CGEDRM
CC(C)(C)O[C@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000843263975	635628606	/nfs/dbraw/zinc/62/86/06/635628606.db2.gz	LRBCSXIVUFDIHY-BDHVZOSOSA-N	-1	0	292.335	3.065	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2C[C@H]2C2CCCC2)c1	ZINC000845886226	636114315	/nfs/dbraw/zinc/11/43/15/636114315.db2.gz	DGTPUNLXIQGJOS-STQMWFEESA-N	-1	0	270.332	3.029	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](c1ccccc1)[C@@H](C)CC	ZINC000846539211	636196056	/nfs/dbraw/zinc/19/60/56/636196056.db2.gz	RFKZWDKOFYVNEJ-ZFWWWQNUSA-N	-1	0	261.365	3.440	20	30		CGEDRM
C[C@H]1CC[C@@H](CN=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414316	636570774	/nfs/dbraw/zinc/57/07/74/636570774.db2.gz	LGBUQRLJPWGGOS-WCQYABFASA-N	-1	0	260.337	3.148	20	30		CGEDRM
C=C(Cl)CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000851707802	637468669	/nfs/dbraw/zinc/46/86/69/637468669.db2.gz	KQFZIJWDELZKNF-QWHCGFSZSA-N	-1	0	271.788	3.094	20	30		CGEDRM
CC1(C)[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(F)F	ZINC000852997745	637727853	/nfs/dbraw/zinc/72/78/53/637727853.db2.gz	BPQOPZRVNDVFLV-MTTUFYGSSA-N	-1	0	284.262	3.011	20	30		CGEDRM
CC[C@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CO1	ZINC000853258682	637796867	/nfs/dbraw/zinc/79/68/67/637796867.db2.gz	ZEHRAALAOWPMLO-JTQLQIEISA-N	-1	0	282.727	3.005	20	30		CGEDRM
CO[C@H](CN=Nc1ccccc1C(=O)[O-])C1CCCCC1	ZINC000853280792	637800503	/nfs/dbraw/zinc/80/05/03/637800503.db2.gz	OTZUKIPHBQYYOW-OAHLLOKOSA-N	-1	0	290.363	3.378	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCCSCC1	ZINC000853325659	637810306	/nfs/dbraw/zinc/81/03/06/637810306.db2.gz	MYBWVPCWLKKMLQ-UHFFFAOYSA-N	-1	0	294.376	3.078	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C1(C(F)(F)F)CCCCC1	ZINC000855027018	638135862	/nfs/dbraw/zinc/13/58/62/638135862.db2.gz	WAEXXSVNMPTGAK-UHFFFAOYSA-N	-1	0	265.275	3.123	20	30		CGEDRM
C=CCCO[N-]C(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000856030203	638287188	/nfs/dbraw/zinc/28/71/88/638287188.db2.gz	TWJSJUXUJSEQHH-UHFFFAOYSA-N	-1	0	283.755	3.121	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CC1	ZINC000856031272	638287622	/nfs/dbraw/zinc/28/76/22/638287622.db2.gz	JNQRXZDDDCFJMA-UHFFFAOYSA-N	-1	0	299.292	3.361	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncc(Cl)cn1	ZINC000857221376	638477090	/nfs/dbraw/zinc/47/70/90/638477090.db2.gz	XSSVELDYCHJGQN-UHFFFAOYSA-N	-1	0	298.774	3.343	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)NO[C@@H]2CCCCO2)c1	ZINC000934883456	639698935	/nfs/dbraw/zinc/69/89/35/639698935.db2.gz	PUEFSRLYKYLCPH-CQSZACIVSA-N	-1	0	276.336	3.299	20	30		CGEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1ccc2ccccc2n1	ZINC000048853541	640072030	/nfs/dbraw/zinc/07/20/30/640072030.db2.gz	FCQIFZHEYOIGRY-ZDUSSCGKSA-N	-1	0	291.310	3.330	20	30		CGEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000088800642	640624448	/nfs/dbraw/zinc/62/44/48/640624448.db2.gz	XCYFKNZKIQGROW-UHFFFAOYSA-N	-1	0	285.752	3.096	20	30		CGEDRM
N#Cc1ccc(-c2ccc(CCC(=O)[O-])cc2)cc1	ZINC001250587571	805710226	/nfs/dbraw/zinc/71/02/26/805710226.db2.gz	WEFKCTLNOMBCNF-UHFFFAOYSA-N	-1	0	251.285	3.242	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cccc(C#N)c1	ZINC001250590020	805710952	/nfs/dbraw/zinc/71/09/52/805710952.db2.gz	FLHZODRYBBQJBS-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc2cc(C(=O)Nc3ccc(O)c(C#N)c3)ccc2[nH]1	ZINC001156539711	805711836	/nfs/dbraw/zinc/71/18/36/805711836.db2.gz	PUWAIQKVWPJOJD-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C#N)ccc2F)c1	ZINC001250634071	805739966	/nfs/dbraw/zinc/73/99/66/805739966.db2.gz	ITZWRBVHNFVBTP-UHFFFAOYSA-N	-1	0	255.248	3.371	20	30		CGEDRM
Cc1cc(Nc2c(C#N)cnn2C(C)C)ccc1C(=O)[O-]	ZINC001211652557	814925735	/nfs/dbraw/zinc/92/57/35/814925735.db2.gz	DWILAVAHLNDAMH-UHFFFAOYSA-N	-1	0	284.319	3.086	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc(C(=O)[O-])c(C)c1	ZINC001211658272	814927215	/nfs/dbraw/zinc/92/72/15/814927215.db2.gz	HIOZFNAHUGHXDO-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
C=C[C@@](C)(O)CNc1cc(C(F)(F)F)ccc1[S-]	ZINC001252562744	806067666	/nfs/dbraw/zinc/06/76/66/806067666.db2.gz	XPNNRJKXPBDMGD-LLVKDONJSA-N	-1	0	277.311	3.343	20	30		CGEDRM
N#Cc1ccc([N-]c2nnc(Br)s2)cc1F	ZINC000307942236	799216226	/nfs/dbraw/zinc/21/62/26/799216226.db2.gz	CZKMPCZHTVWHQI-UHFFFAOYSA-N	-1	0	299.128	3.055	20	30		CGEDRM
CCN(C)c1ccc(C=CC(=O)c2sccc2[O-])cn1	ZINC000588599039	799720081	/nfs/dbraw/zinc/72/00/81/799720081.db2.gz	NFGKRWYONZZFGA-XQRVVYSFSA-N	-1	0	288.372	3.201	20	30		CGEDRM
CCCCCCCC(=O)N[C@](C)(CC(=O)[O-])C1CC1	ZINC000687069834	799736091	/nfs/dbraw/zinc/73/60/91/799736091.db2.gz	LVAIURKYIHYKRT-OAHLLOKOSA-N	-1	0	269.385	3.107	20	30		CGEDRM
Cc1ccccc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809152033	800412941	/nfs/dbraw/zinc/41/29/41/800412941.db2.gz	BAGCNZZADKYOCO-VURMDHGXSA-N	-1	0	282.295	3.295	20	30		CGEDRM
Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H](C)CCCC#N	ZINC001172490352	808350905	/nfs/dbraw/zinc/35/09/05/808350905.db2.gz	FAJTVUZBSVWTOO-GFCCVEGCSA-N	-1	0	284.363	3.381	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CCCC(F)F)c1[O-]	ZINC001119554644	802678875	/nfs/dbraw/zinc/67/88/75/802678875.db2.gz	BFNWHVLZXPRISS-GIDUJCDVSA-N	-1	0	292.669	3.418	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc(C#N)c3[nH]ccc32)c1	ZINC001244177954	803227979	/nfs/dbraw/zinc/22/79/79/803227979.db2.gz	QWTLDWCUCHSNEJ-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1nccc(C#N)c1C	ZINC001244417476	803359308	/nfs/dbraw/zinc/35/93/08/803359308.db2.gz	BFOMWUABBHGQAR-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)cn1	ZINC001244417642	803360525	/nfs/dbraw/zinc/36/05/25/803360525.db2.gz	FMGUEZIHFKDIFB-UHFFFAOYSA-N	-1	0	282.299	3.026	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(OC(F)(F)F)cc2[O-])c1F	ZINC001244463898	803381085	/nfs/dbraw/zinc/38/10/85/803381085.db2.gz	HESPNKIFCRCVHP-UHFFFAOYSA-N	-1	0	298.195	3.364	20	30		CGEDRM
C=CCOc1cc(C)nc(-c2ccc(Cl)cc2[O-])n1	ZINC001244468795	803384753	/nfs/dbraw/zinc/38/47/53/803384753.db2.gz	WLRWKGAQGCMQBT-UHFFFAOYSA-N	-1	0	276.723	3.376	20	30		CGEDRM
Cc1cc(C#N)cnc1-c1cc(F)c([O-])c(Cl)c1	ZINC001244499996	803406707	/nfs/dbraw/zinc/40/67/07/803406707.db2.gz	HVUIZYIXQYOBNS-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ncc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)cn1	ZINC001244514163	803412282	/nfs/dbraw/zinc/41/22/82/803412282.db2.gz	UYWZXHDBLVILTL-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
C=C/C(=N\COC)c1c(Cl)cc(C(=O)[O-])cc1Cl	ZINC001244514595	803414375	/nfs/dbraw/zinc/41/43/75/803414375.db2.gz	GWUJPYKHJYNJAF-XNTDXEJSSA-N	-1	0	288.130	3.271	20	30		CGEDRM
N#CCc1ccnc(-c2ccc(Cl)c([O-])c2F)c1	ZINC001244630322	803473010	/nfs/dbraw/zinc/47/30/10/803473010.db2.gz	IPPHHVHXVIXGIT-UHFFFAOYSA-N	-1	0	262.671	3.313	20	30		CGEDRM
Cc1c(C#N)ccnc1-c1ccc(Cl)c([O-])c1F	ZINC001244630913	803474153	/nfs/dbraw/zinc/47/41/53/803474153.db2.gz	SHOUDVQZKBAIAR-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ncc(F)cc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211963044	814961546	/nfs/dbraw/zinc/96/15/46/814961546.db2.gz	VMRMIMKUWDUCMJ-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
Cc1nccc(-c2cc([O-])c(F)c(F)c2F)c1C#N	ZINC001245641685	803878288	/nfs/dbraw/zinc/87/82/88/803878288.db2.gz	YKEHPDOUOAJYRX-UHFFFAOYSA-N	-1	0	264.206	3.052	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1cc(Cl)c([O-])cc1F	ZINC001245667561	803897168	/nfs/dbraw/zinc/89/71/68/803897168.db2.gz	JPLPQYXYSDQLMC-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1cc(Nc2ccc(N)c(Cl)c2)c([O-])cc1F	ZINC001212121974	814979041	/nfs/dbraw/zinc/97/90/41/814979041.db2.gz	TWECKQMFNXJHCW-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1c(F)ccc([O-])c1Cl	ZINC001245835217	803987944	/nfs/dbraw/zinc/98/79/44/803987944.db2.gz	NAMDDKQBTJLTAY-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3cccs3)cc2=O)cc1	ZINC001245921398	804048810	/nfs/dbraw/zinc/04/88/10/804048810.db2.gz	PUVZFLLAULCNHP-UHFFFAOYSA-N	-1	0	267.313	3.178	20	30		CGEDRM
C=CCn1[n-]c(-c2cccc(OC(F)(F)F)c2)cc1=O	ZINC001245929441	804059462	/nfs/dbraw/zinc/05/94/62/804059462.db2.gz	CXZPYQCBXRRHCE-UHFFFAOYSA-N	-1	0	284.237	3.340	20	30		CGEDRM
CCCCCc1cc(=O)n(-c2ccccc2C#N)[n-]1	ZINC001245942742	804077342	/nfs/dbraw/zinc/07/73/42/804077342.db2.gz	NZNCRWRTVMNMEE-UHFFFAOYSA-N	-1	0	255.321	3.182	20	30		CGEDRM
N#Cc1oc2ccccc2c1[N-]C(=O)c1cnoc1C1CC1	ZINC001147649016	805141723	/nfs/dbraw/zinc/14/17/23/805141723.db2.gz	CPEKGDIEKZDYHP-UHFFFAOYSA-N	-1	0	293.282	3.422	20	30		CGEDRM
N#Cc1cnc(Nc2cc([O-])c(F)c(F)c2F)c(Cl)c1	ZINC001249957962	805324047	/nfs/dbraw/zinc/32/40/47/805324047.db2.gz	HROVYXPOLFVGHX-UHFFFAOYSA-N	-1	0	299.639	3.473	20	30		CGEDRM
Cc1c(F)cc(C(=O)[O-])cc1Cc1cccc(C#N)c1	ZINC001250048493	805387667	/nfs/dbraw/zinc/38/76/67/805387667.db2.gz	CCFKMOMZFLXQKH-UHFFFAOYSA-N	-1	0	269.275	3.295	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2cc(F)c([O-])c(Cl)c2)cc1	ZINC001250209074	805491661	/nfs/dbraw/zinc/49/16/61/805491661.db2.gz	KHDUVJBAOLEEIV-UHFFFAOYSA-N	-1	0	289.693	3.482	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2cc(Cl)cc(C(=O)[O-])c2)cc1	ZINC001250209423	805492547	/nfs/dbraw/zinc/49/25/47/805492547.db2.gz	WIQVLNOVPPQRHB-UHFFFAOYSA-N	-1	0	299.713	3.335	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C	ZINC001263138271	807935232	/nfs/dbraw/zinc/93/52/32/807935232.db2.gz	IJRNHXMFVLOLEZ-LBPRGKRZSA-N	-1	0	293.326	3.273	20	30		CGEDRM
Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C#N)c1	ZINC001174504093	809052384	/nfs/dbraw/zinc/05/23/84/809052384.db2.gz	CYWJFJCZZCYNKI-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccc(C#N)cc1F	ZINC001174678126	809127943	/nfs/dbraw/zinc/12/79/43/809127943.db2.gz	XGKCFYQWBKGRKP-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1cc(Nc2ccc3c(c2)CCCO3)c([O-])cc1F	ZINC001174722703	809143702	/nfs/dbraw/zinc/14/37/02/809143702.db2.gz	PRHXCRUHBFMWRT-UHFFFAOYSA-N	-1	0	284.290	3.472	20	30		CGEDRM
N#Cc1cc(F)ccc1Nc1ccc(C(=O)[O-])s1	ZINC001174808714	809168103	/nfs/dbraw/zinc/16/81/03/809168103.db2.gz	XTWANRCAEWRROU-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])s2)cs1	ZINC001174808083	809168219	/nfs/dbraw/zinc/16/82/19/809168219.db2.gz	QBGRGAVSBAMNDX-UHFFFAOYSA-N	-1	0	250.304	3.123	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)nc1C	ZINC001174983172	809225608	/nfs/dbraw/zinc/22/56/08/809225608.db2.gz	FTKFMVHEVORHDS-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(F)c1F	ZINC001175027731	809245349	/nfs/dbraw/zinc/24/53/49/809245349.db2.gz	MXNLDENXRZSKFY-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
N#CCc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1F	ZINC001175221844	809313780	/nfs/dbraw/zinc/31/37/80/809313780.db2.gz	OSLZQUFODWQEHA-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
CC(=O)c1ccc(Nc2scc([O-])c2C#N)cc1F	ZINC001175228102	809316434	/nfs/dbraw/zinc/31/64/34/809316434.db2.gz	FJBRYXCBTFMYQE-UHFFFAOYSA-N	-1	0	276.292	3.411	20	30		CGEDRM
CC(C)(O)C#Cc1cccc(Nc2cccc(C(=O)[O-])c2)c1	ZINC001175331842	809359660	/nfs/dbraw/zinc/35/96/60/809359660.db2.gz	YMSYUVHRMKZHAB-UHFFFAOYSA-N	-1	0	295.338	3.251	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1ccc(N2CCCC2)nc1	ZINC001175350134	809372493	/nfs/dbraw/zinc/37/24/93/809372493.db2.gz	UKADWJRDOIUNHM-UHFFFAOYSA-N	-1	0	286.360	3.064	20	30		CGEDRM
Cc1[nH]nc2ccc(Nc3scc([O-])c3C#N)cc12	ZINC001175693590	809508672	/nfs/dbraw/zinc/50/86/72/809508672.db2.gz	DWAWMEAQJHQHDD-UHFFFAOYSA-N	-1	0	270.317	3.254	20	30		CGEDRM
N#Cc1cc(Nc2cnn(-c3ccccc3)c2)c([O-])cc1F	ZINC001175795037	809545072	/nfs/dbraw/zinc/54/50/72/809545072.db2.gz	HUGXCJGHOJFTEK-UHFFFAOYSA-N	-1	0	294.289	3.332	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1nccc(Br)c1[O-]	ZINC001301839003	809588165	/nfs/dbraw/zinc/58/81/65/809588165.db2.gz	VCJDCZIFQXYJMP-UHFFFAOYSA-N	-1	0	299.168	3.091	20	30		CGEDRM
N#Cc1ccc(Cl)nc1Nc1csc(C(=O)[O-])c1	ZINC001176436766	809696991	/nfs/dbraw/zinc/69/69/91/809696991.db2.gz	ZVMBFUYQQYYSAN-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1csc(C(=O)[O-])c1	ZINC001176437732	809697757	/nfs/dbraw/zinc/69/77/57/809697757.db2.gz	ZJJLRKJRTHHAQY-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213623226	815311631	/nfs/dbraw/zinc/31/16/31/815311631.db2.gz	BOLUFWNFJXRKPZ-UHFFFAOYSA-N	-1	0	281.315	3.023	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176595839	809727280	/nfs/dbraw/zinc/72/72/80/809727280.db2.gz	VHLWIUVLRAOEKZ-JXMROGBWSA-N	-1	0	294.310	3.408	20	30		CGEDRM
N#Cc1ccccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213627484	815313306	/nfs/dbraw/zinc/31/33/06/815313306.db2.gz	IJAUIMMJJDHPRG-UHFFFAOYSA-N	-1	0	266.300	3.319	20	30		CGEDRM
CC(C)(C)c1noc(Nc2ccc(C(=O)[O-])cc2)c1C#N	ZINC001176709236	809746276	/nfs/dbraw/zinc/74/62/76/809746276.db2.gz	GQHDXDLTGDUOMA-UHFFFAOYSA-N	-1	0	285.303	3.286	20	30		CGEDRM
N#Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)ccc1F	ZINC001213627735	815313894	/nfs/dbraw/zinc/31/38/94/815313894.db2.gz	PTENCOWOGNXOOP-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC001213635470	815314999	/nfs/dbraw/zinc/31/49/99/815314999.db2.gz	MFWJUPRTPYGMQI-UHFFFAOYSA-N	-1	0	296.326	3.328	20	30		CGEDRM
Cc1c(Cl)cc(NC(=O)[C@H](C)C#N)c([O-])c1Cl	ZINC001179894883	809955757	/nfs/dbraw/zinc/95/57/57/809955757.db2.gz	NTGOJMQXKNYNBS-RXMQYKEDSA-N	-1	0	273.119	3.106	20	30		CGEDRM
N#Cc1cc(NC(=O)[C@H](F)c2ccccc2)c([O-])cc1F	ZINC001180147650	809977973	/nfs/dbraw/zinc/97/79/73/809977973.db2.gz	AGPJYPOMIAXPRS-CQSZACIVSA-N	-1	0	288.253	3.052	20	30		CGEDRM
CCCCCCN(O)C(=O)Cc1sc(C)nc1C	ZINC001184314780	810190488	/nfs/dbraw/zinc/19/04/88/810190488.db2.gz	JZXYAWOXXDYVLU-UHFFFAOYSA-N	-1	0	270.398	3.101	20	30		CGEDRM
CCCCN(O)C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC001184314944	810190801	/nfs/dbraw/zinc/19/08/01/810190801.db2.gz	OHAGUCJJWZTZTK-MRXNPFEDSA-N	-1	0	297.395	3.073	20	30		CGEDRM
N#Cc1ccc2c(c1)CCN(C(=O)c1cccc([S-])c1)C2	ZINC001186141404	810316059	/nfs/dbraw/zinc/31/60/59/810316059.db2.gz	VBMGSUNRSITECP-UHFFFAOYSA-N	-1	0	294.379	3.045	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1cncs1	ZINC001187993325	810439816	/nfs/dbraw/zinc/43/98/16/810439816.db2.gz	UAZOKXNDAHECDL-UHFFFAOYSA-N	-1	0	276.427	3.245	20	30		CGEDRM
CCCCCCCNC(=O)Nc1ncc(F)cc1[O-]	ZINC001191086542	810674421	/nfs/dbraw/zinc/67/44/21/810674421.db2.gz	HXNWYIDZHCHTOF-UHFFFAOYSA-N	-1	0	269.320	3.018	20	30		CGEDRM
Cc1ccc(O)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001214231547	815388625	/nfs/dbraw/zinc/38/86/25/815388625.db2.gz	IQVDBCDBUBUPFS-UHFFFAOYSA-N	-1	0	258.252	3.161	20	30		CGEDRM
CC(C)c1cccc(NC(=O)c2ccc([O-])c(C#N)c2)n1	ZINC001193499957	810897785	/nfs/dbraw/zinc/89/77/85/810897785.db2.gz	YCMPAWMALNXNGW-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
CC(=O)c1cccc(NC(=O)c2cccc(C#N)c2[O-])c1C	ZINC001193652385	810928635	/nfs/dbraw/zinc/92/86/35/810928635.db2.gz	GVALFHXXZPSCLS-UHFFFAOYSA-N	-1	0	294.310	3.027	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2nc3ccccc3s2)c([O-])c1	ZINC001195733463	811283180	/nfs/dbraw/zinc/28/31/80/811283180.db2.gz	PDHQAHJLFMOHJU-UHFFFAOYSA-N	-1	0	295.323	3.126	20	30		CGEDRM
CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC=N)c1	ZINC001197366025	811421986	/nfs/dbraw/zinc/42/19/86/811421986.db2.gz	SKWIEJAQMXXGHQ-UHFFFAOYSA-N	-1	0	290.363	3.272	20	30		CGEDRM
N#Cc1cccnc1Nc1ccc(Cl)c([O-])c1F	ZINC001214791096	815452036	/nfs/dbraw/zinc/45/20/36/815452036.db2.gz	KZOWKACPGHHGKA-UHFFFAOYSA-N	-1	0	263.659	3.195	20	30		CGEDRM
CC(C)(C#N)c1ccc(Nc2cnc(F)c(C(=O)[O-])c2)cc1	ZINC001215111372	815483665	/nfs/dbraw/zinc/48/36/65/815483665.db2.gz	OFPUVJINQLUYSP-UHFFFAOYSA-N	-1	0	299.305	3.464	20	30		CGEDRM
N#Cc1cc(Cl)ccc1Nc1cc(C(=O)[O-])cnc1F	ZINC001215130413	815486614	/nfs/dbraw/zinc/48/66/14/815486614.db2.gz	SNOUTQZXGWPFCF-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1cc(NC(=O)Nc2ccc(F)cc2)c([O-])cc1F	ZINC001202357460	812074063	/nfs/dbraw/zinc/07/40/63/812074063.db2.gz	QPWPPIJWBLKLQY-UHFFFAOYSA-N	-1	0	289.241	3.186	20	30		CGEDRM
N#Cc1cccc(NC(=O)Nc2ccccc2[S-])c1	ZINC001202787367	812173931	/nfs/dbraw/zinc/17/39/31/812173931.db2.gz	MASYEEBAYRJHCA-UHFFFAOYSA-N	-1	0	269.329	3.491	20	30		CGEDRM
COc1cccc(Nc2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001203293144	812296608	/nfs/dbraw/zinc/29/66/08/812296608.db2.gz	DOIDXKFOBLFXPG-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1F	ZINC001215466068	815521458	/nfs/dbraw/zinc/52/14/58/815521458.db2.gz	ILEGJSYIBNLSIB-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C[C@H](C#N)N(C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC001203585276	812400545	/nfs/dbraw/zinc/40/05/45/812400545.db2.gz	GEPZXADFMJIVOF-SSDOTTSWSA-N	-1	0	259.136	3.043	20	30		CGEDRM
CC(C)(C)c1nc([N-]c2cc(F)c(C#N)c(F)c2)no1	ZINC001203669324	812426252	/nfs/dbraw/zinc/42/62/52/812426252.db2.gz	PTWOUAOONLCCSO-UHFFFAOYSA-N	-1	0	278.262	3.261	20	30		CGEDRM
CCOc1ccc(Nc2scc([O-])c2C#N)c(C)n1	ZINC001215578388	815540856	/nfs/dbraw/zinc/54/08/56/815540856.db2.gz	GSTNKMILHZMCIF-UHFFFAOYSA-N	-1	0	275.333	3.171	20	30		CGEDRM
N#Cc1c(-c2csc(C(=O)[O-])c2)nccc1C(F)(F)F	ZINC001206244098	813254146	/nfs/dbraw/zinc/25/41/46/813254146.db2.gz	QKXLERDOSGCZLU-UHFFFAOYSA-N	-1	0	298.245	3.399	20	30		CGEDRM
N#Cc1cc(Nc2ccc3[n-]c(=S)sc3c2)ccn1	ZINC001206618878	813377475	/nfs/dbraw/zinc/37/74/75/813377475.db2.gz	BWCMYCALEKYLFG-UHFFFAOYSA-N	-1	0	284.369	3.017	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cc([O-])cc(F)c1	ZINC001206798826	813439747	/nfs/dbraw/zinc/43/97/47/813439747.db2.gz	GWNQZIBGOOFWPF-UHFFFAOYSA-N	-1	0	253.236	3.018	20	30		CGEDRM
Cc1ccc(Nc2ccc(C#N)nc2)c(Cl)c1O	ZINC001209615917	814098871	/nfs/dbraw/zinc/09/88/71/814098871.db2.gz	MEUMCJZNEHSUNW-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)cc1	ZINC001210241448	814360629	/nfs/dbraw/zinc/36/06/29/814360629.db2.gz	DCAOGOFMNVPTQQ-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccc(C#N)c(C)c1	ZINC001210260789	814370579	/nfs/dbraw/zinc/37/05/79/814370579.db2.gz	QMBRKVVGAABSJU-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
Cc1cc(C#N)ccc1[N-]c1nnc(Br)s1	ZINC001210371301	814427885	/nfs/dbraw/zinc/42/78/85/814427885.db2.gz	NAPWNDJIWNAXOO-UHFFFAOYSA-N	-1	0	295.165	3.224	20	30		CGEDRM
Cc1nc(C#N)c([N-]c2cc3cc(F)ccc3o2)o1	ZINC001210726670	814599372	/nfs/dbraw/zinc/59/93/72/814599372.db2.gz	ROBNASZCCOEDMT-UHFFFAOYSA-N	-1	0	257.224	3.484	20	30		CGEDRM
N#Cc1cccc(Nc2ccccc2C(=O)[O-])c1F	ZINC001210967778	814695157	/nfs/dbraw/zinc/69/51/57/814695157.db2.gz	YCAAYXCJELEUOG-UHFFFAOYSA-N	-1	0	256.236	3.139	20	30		CGEDRM
COc1c(Nc2cccc(CC#N)c2)cccc1C(=O)[O-]	ZINC001211037433	814715371	/nfs/dbraw/zinc/71/53/71/814715371.db2.gz	SZGJROWDSVDYNV-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
COc1ncc(Nc2scc([O-])c2C#N)cc1Cl	ZINC001211046373	814720636	/nfs/dbraw/zinc/72/06/36/814720636.db2.gz	DGNIHOKZRCQNPR-UHFFFAOYSA-N	-1	0	281.724	3.126	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cccc([O-])c3Cl)cnc12	ZINC001242802207	823138095	/nfs/dbraw/zinc/13/80/95/823138095.db2.gz	APKPRMKZRCIPQY-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
N#Cc1cc(Nc2ccccc2[S-])cc([N+](=O)[O-])c1	ZINC001211327200	814879027	/nfs/dbraw/zinc/87/90/27/814879027.db2.gz	AYALUNNDRKILKD-UHFFFAOYSA-N	-1	0	271.301	3.499	20	30		CGEDRM
Cc1ccc(Nc2ccc(O)cc2C#N)cc1C(=O)[O-]	ZINC001211606569	814917225	/nfs/dbraw/zinc/91/72/25/814917225.db2.gz	TWDIOPUBHRBPAL-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(O)cccc1Cl	ZINC001215983310	815651329	/nfs/dbraw/zinc/65/13/29/815651329.db2.gz	RSVDTHAMXJQVIY-UHFFFAOYSA-N	-1	0	266.709	3.428	20	30		CGEDRM
Cc1c(C#N)cccc1Nc1ccnc(Cl)c1[O-]	ZINC001216174626	815719796	/nfs/dbraw/zinc/71/97/96/815719796.db2.gz	PUAZDVOFHMADFC-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
CSc1nc(C)c(C#N)c(-c2cccc([S-])c2)n1	ZINC001242866311	823158092	/nfs/dbraw/zinc/15/80/92/823158092.db2.gz	SOPNCZACVTYZCY-UHFFFAOYSA-N	-1	0	273.386	3.334	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1C	ZINC001216661564	815888660	/nfs/dbraw/zinc/88/86/60/815888660.db2.gz	LPJOOCRJZOEHGG-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
N#Cc1cc(Nc2cc(CC(=O)[O-])ccc2F)ccc1F	ZINC001216682736	815893318	/nfs/dbraw/zinc/89/33/18/815893318.db2.gz	ANSMUEDBORTBSK-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
N#CCc1cccc(Nc2cc(CC(=O)[O-])ccc2F)c1	ZINC001216682057	815893413	/nfs/dbraw/zinc/89/34/13/815893413.db2.gz	UXROSJCFCAKJRY-UHFFFAOYSA-N	-1	0	284.290	3.262	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(F)c(C#N)c(F)c1	ZINC001242922756	823173122	/nfs/dbraw/zinc/17/31/22/823173122.db2.gz	TUDJHBFJYQZVKI-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2OC)c(CC#N)c1	ZINC001242924036	823173624	/nfs/dbraw/zinc/17/36/24/823173624.db2.gz	YFWYMYZMDBQPNS-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
Cc1ccc(C#N)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)n1	ZINC001222657727	816492529	/nfs/dbraw/zinc/49/25/29/816492529.db2.gz	BABNOGGEPZKFAG-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
Cc1cnc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)c1	ZINC001222658360	816492713	/nfs/dbraw/zinc/49/27/13/816492713.db2.gz	NQXOALFMHVRXAQ-UHFFFAOYSA-N	-1	0	278.311	3.045	20	30		CGEDRM
CCCCCCC[C@@H](CCC)OCCS(=O)(=O)[O-]	ZINC001224571884	816828222	/nfs/dbraw/zinc/82/82/22/816828222.db2.gz	PQRAJDIYBRTELQ-CYBMUJFWSA-N	-1	0	280.430	3.420	20	30		CGEDRM
CCCCCCC[C@H](C)OCCCS(=O)(=O)[O-]	ZINC001224894665	816903608	/nfs/dbraw/zinc/90/36/08/816903608.db2.gz	WNKQFFUUEDBIDR-LBPRGKRZSA-N	-1	0	266.403	3.030	20	30		CGEDRM
C[C@@H](CC(C)(C)S)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225494436	817074519	/nfs/dbraw/zinc/07/45/19/817074519.db2.gz	RTHSQARWAWYZPQ-QMMMGPOBSA-N	-1	0	271.338	3.166	20	30		CGEDRM
C=C[C@H](CCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518211	817082584	/nfs/dbraw/zinc/08/25/84/817082584.db2.gz	UWTQTQZXMBOTPC-LLVKDONJSA-N	-1	0	270.350	3.057	20	30		CGEDRM
CC(C)C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)C	ZINC001226008995	817247875	/nfs/dbraw/zinc/24/78/75/817247875.db2.gz	PMCREVAXCKHWAB-GFCCVEGCSA-N	-1	0	266.316	3.247	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226014905	817250431	/nfs/dbraw/zinc/25/04/31/817250431.db2.gz	CNINNKWDUQHCRU-CQSZACIVSA-N	-1	0	296.301	3.007	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccccc2F)c1C#N	ZINC001226220991	817301634	/nfs/dbraw/zinc/30/16/34/817301634.db2.gz	DZKSKYDWQWLRNM-JTQLQIEISA-N	-1	0	272.279	3.246	20	30		CGEDRM
Cc1ccc(OC[C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cc1	ZINC001226222861	817301873	/nfs/dbraw/zinc/30/18/73/817301873.db2.gz	IYHLSWAKIWMDHW-ZDUSSCGKSA-N	-1	0	298.342	3.122	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](CC#N)c2ccccc2)c1C#N	ZINC001226223070	817302297	/nfs/dbraw/zinc/30/22/97/817302297.db2.gz	KIRYBGVFVKGLPK-AWEZNQCLSA-N	-1	0	279.299	3.001	20	30		CGEDRM
Cc1ccc(C)c2c1CCC[C@H]2Oc1nccc(/C=N/O)n1	ZINC001226254862	817312663	/nfs/dbraw/zinc/31/26/63/817312663.db2.gz	DEGONGIOPOAWDF-GDXCHIGESA-N	-1	0	297.358	3.358	20	30		CGEDRM
C[Si](C)(C)C#C[C@@H](Oc1nccc(=O)[n-]1)c1ccccc1	ZINC001226324487	817329323	/nfs/dbraw/zinc/32/93/23/817329323.db2.gz	PGKJLMOGQVFCHL-CQSZACIVSA-N	-1	0	298.418	3.183	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1n[n-]c(=O)cc1Br	ZINC001226848541	817483597	/nfs/dbraw/zinc/48/35/97/817483597.db2.gz	FDFPYEMWLRAYJF-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC001243152942	823266317	/nfs/dbraw/zinc/26/63/17/823266317.db2.gz	KQQIFPYKKGDLGP-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
CC(=O)c1cc(C#N)ccc1O[C@H](C)C1=CC=C[CH]1	ZINC001226975673	817522011	/nfs/dbraw/zinc/52/20/11/817522011.db2.gz	QRIIJRIXYGGODW-GFCCVEGCSA-N	-1	0	252.293	3.229	20	30		CGEDRM
C=CC[C@@H](CCC)Oc1[nH]c(=O)ncc1Br	ZINC001227136612	817568453	/nfs/dbraw/zinc/56/84/53/817568453.db2.gz	BBVPJXGAFDKZHI-QMMMGPOBSA-N	-1	0	287.157	3.068	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ncnc3ccc(C#N)cc32)c1	ZINC001243178585	823275320	/nfs/dbraw/zinc/27/53/20/823275320.db2.gz	UOXAVAKIJBYQKJ-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
N#Cc1c(O)ccc(O[C@@H](c2cccnc2)C2CC2)c1C#N	ZINC001227624248	817686042	/nfs/dbraw/zinc/68/60/42/817686042.db2.gz	XIAVLBPOASUIHC-QGZVFWFLSA-N	-1	0	291.310	3.061	20	30		CGEDRM
C=CC[C@@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227716281	817702731	/nfs/dbraw/zinc/70/27/31/817702731.db2.gz	NIRCBTUFGFKFRQ-QWRGUYRKSA-N	-1	0	278.352	3.287	20	30		CGEDRM
Cc1ccc(-c2ccc(C#N)c(CC#N)c2)cc1C(=O)[O-]	ZINC001243195265	823284850	/nfs/dbraw/zinc/28/48/50/823284850.db2.gz	OONVFKLJQFPPAH-UHFFFAOYSA-N	-1	0	276.295	3.298	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1-c1cnc2ccc(C#N)cc2n1	ZINC001243203417	823289174	/nfs/dbraw/zinc/28/91/74/823289174.db2.gz	XUIRRVUGSSBWBX-UHFFFAOYSA-N	-1	0	289.294	3.175	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2C)cc(F)c1C#N	ZINC001243213739	823294784	/nfs/dbraw/zinc/29/47/84/823294784.db2.gz	WOBQXYGWWDHMLF-UHFFFAOYSA-N	-1	0	285.274	3.380	20	30		CGEDRM
Cc1cc(-c2ccnc3[nH]cc(C#N)c32)ccc1C(=O)[O-]	ZINC001243214860	823295664	/nfs/dbraw/zinc/29/56/64/823295664.db2.gz	ITQHXSIFBKZWKZ-UHFFFAOYSA-N	-1	0	277.283	3.060	20	30		CGEDRM
Cc1cc(-c2cnc3[nH]cc(C#N)c3c2)ccc1C(=O)[O-]	ZINC001243215458	823296257	/nfs/dbraw/zinc/29/62/57/823296257.db2.gz	QCBXHSFORMTRQZ-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
C[C@@H](CS)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231220309	818059448	/nfs/dbraw/zinc/05/94/48/818059448.db2.gz	XFKLNKQAWFCDLY-NSHDSACASA-N	-1	0	288.368	3.320	20	30		CGEDRM
C=CCC[C@H](CC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231227822	818060431	/nfs/dbraw/zinc/06/04/31/818060431.db2.gz	NCBMJSLGRBPBKS-VIFPVBQESA-N	-1	0	296.279	3.332	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)C	ZINC001234512216	818870824	/nfs/dbraw/zinc/87/08/24/818870824.db2.gz	BHJDTLFTCMUSDB-LBPRGKRZSA-N	-1	0	271.320	3.020	20	30		CGEDRM
CC(C)Oc1ccc(COc2ccccc2C=N[O-])cn1	ZINC001234819650	818927346	/nfs/dbraw/zinc/92/73/46/818927346.db2.gz	NGMLFYQBLXIVIP-UHFFFAOYSA-N	-1	0	286.331	3.256	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccc(/C=C/C(=O)[O-])cc3)c2)CC1	ZINC001235269415	819059661	/nfs/dbraw/zinc/05/96/61/819059661.db2.gz	JULYZAZEPQEPFT-ZZXKWVIFSA-N	-1	0	290.322	3.402	20	30		CGEDRM
CC(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2)n1	ZINC001236053476	819290425	/nfs/dbraw/zinc/29/04/25/819290425.db2.gz	HLTHFYXNMYIKSF-UHFFFAOYSA-N	-1	0	266.300	3.442	20	30		CGEDRM
Cc1c(Cl)c(-c2ncc(C#N)cc2C#N)ccc1C(=O)[O-]	ZINC001236109200	819325210	/nfs/dbraw/zinc/32/52/10/819325210.db2.gz	RNUZAFNZDOTBMC-UHFFFAOYSA-N	-1	0	297.701	3.152	20	30		CGEDRM
Cc1c(Cl)c(-c2cncc(F)c2C#N)ccc1C(=O)[O-]	ZINC001236128403	819333435	/nfs/dbraw/zinc/33/34/35/819333435.db2.gz	MZYRUPOHPCVYAW-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
N#C[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1O	ZINC001236794340	819597499	/nfs/dbraw/zinc/59/74/99/819597499.db2.gz	RNBWSEKBXXZVRV-VIFPVBQESA-N	-1	0	271.147	3.187	20	30		CGEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C(=O)[O-])c(F)c3F)c12	ZINC001243515762	823427469	/nfs/dbraw/zinc/42/74/69/823427469.db2.gz	VSSVJRKTDRACEE-UHFFFAOYSA-N	-1	0	299.236	3.030	20	30		CGEDRM
N#CC[C@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237998611	819907968	/nfs/dbraw/zinc/90/79/68/819907968.db2.gz	VGHPZHYBRXNNBL-SNVBAGLBSA-N	-1	0	282.746	3.310	20	30		CGEDRM
C=CCOc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1C#N	ZINC001239249861	820239241	/nfs/dbraw/zinc/23/92/41/820239241.db2.gz	IROTWXDJGKJBCQ-UHFFFAOYSA-N	-1	0	298.273	3.022	20	30		CGEDRM
N#Cc1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1F	ZINC001243607757	823465906	/nfs/dbraw/zinc/46/59/06/823465906.db2.gz	CDQKFLGLSLJMDK-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
O=C([O-])c1c(F)cc(-c2cccc(/C=N/O)c2)cc1F	ZINC001239351717	820286591	/nfs/dbraw/zinc/28/65/91/820286591.db2.gz	LNXAOSDQHXHMHQ-REZTVBANSA-N	-1	0	277.226	3.138	20	30		CGEDRM
N#Cc1c(F)cc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1F	ZINC001239352832	820286711	/nfs/dbraw/zinc/28/67/11/820286711.db2.gz	IBZYVMWCMAPYKS-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
Cc1cnc(-c2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001240547645	821133811	/nfs/dbraw/zinc/13/38/11/821133811.db2.gz	AFTILRXTVXAXCI-AATRIKPKSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cc(F)ccc1[O-]	ZINC001240696159	821253044	/nfs/dbraw/zinc/25/30/44/821253044.db2.gz	DMYFUYGHESRTFJ-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
COc1c(F)ccc(F)c1-c1ccccc1C=N[O-]	ZINC001240725910	821279508	/nfs/dbraw/zinc/27/95/08/821279508.db2.gz	GKEMXCQPRYKSQN-UHFFFAOYSA-N	-1	0	263.243	3.449	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2OC)cc1CC#N	ZINC001240735465	821287959	/nfs/dbraw/zinc/28/79/59/821287959.db2.gz	ZKGTZLBWHAUKFC-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])c(OC)c2)ccc1CC#N	ZINC001240744053	821295633	/nfs/dbraw/zinc/29/56/33/821295633.db2.gz	ZBKOCTREVBWKSM-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C2(C#N)CC2)cn1	ZINC001240999765	821477505	/nfs/dbraw/zinc/47/75/05/821477505.db2.gz	SEJWRKOQXOBNIP-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C2(C#N)CC2)ccn1	ZINC001241001266	821479934	/nfs/dbraw/zinc/47/99/34/821479934.db2.gz	RGMUSIVJWRXQKL-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2)c(F)c1	ZINC001241184643	821621576	/nfs/dbraw/zinc/62/15/76/821621576.db2.gz	GPEZWIMKVDBPGK-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2cc([O-])cc(F)c2)n1	ZINC001241256043	821675671	/nfs/dbraw/zinc/67/56/71/821675671.db2.gz	LFLKBUXVCBAOMM-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1cccc(C(=O)[O-])c1	ZINC001241359262	821761102	/nfs/dbraw/zinc/76/11/02/821761102.db2.gz	BBFZQROUKYQZLV-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
N#CCc1cccc(-c2cccc(C(=O)[O-])c2)c1F	ZINC001241359389	821761149	/nfs/dbraw/zinc/76/11/49/821761149.db2.gz	OHPBSZCRXGKFIT-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
C[Si](C)(C)C#Cc1ccc(-c2cncc(C(=O)[O-])c2)cn1	ZINC001241803520	822152470	/nfs/dbraw/zinc/15/24/70/822152470.db2.gz	UDXXIXKWRMZUNT-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241827578	822165776	/nfs/dbraw/zinc/16/57/76/822165776.db2.gz	KTYJTKHMLKGVEO-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(-c2ccc3[nH]c(C#N)cc3c2)cc1C(=O)[O-]	ZINC001241875727	822191120	/nfs/dbraw/zinc/19/11/20/822191120.db2.gz	ZPDGKVAULWORCT-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#Cc1c(F)ccnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242153086	822896847	/nfs/dbraw/zinc/89/68/47/822896847.db2.gz	PXHWZDSIRZWVKU-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1ccc(-c2ccc(F)cc2[O-])nc1C(F)(F)F	ZINC001242215584	822913621	/nfs/dbraw/zinc/91/36/21/822913621.db2.gz	FIZLOCDUZIRABY-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
O=C([O-])Cc1cccc(-c2ccc(CS)cc2)c1	ZINC001242265108	822930826	/nfs/dbraw/zinc/93/08/26/822930826.db2.gz	PDGSURMSOPBRDV-UHFFFAOYSA-N	-1	0	258.342	3.411	20	30		CGEDRM
N#CCc1c(F)cccc1-c1cccc(CC(=O)[O-])c1	ZINC001242265751	822931296	/nfs/dbraw/zinc/93/12/96/822931296.db2.gz	MACVREVZJZGEHM-UHFFFAOYSA-N	-1	0	269.275	3.186	20	30		CGEDRM
N#Cc1cc2cccnc2nc1-c1cccc(F)c1[O-]	ZINC001242351421	822961475	/nfs/dbraw/zinc/96/14/75/822961475.db2.gz	VEHYDSGWNDHIFB-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
N#Cc1ccc(-c2cccc(Cl)c2[O-])c(C#N)c1	ZINC001242368169	822970171	/nfs/dbraw/zinc/97/01/71/822970171.db2.gz	XKKWGULWDOKCFF-UHFFFAOYSA-N	-1	0	254.676	3.456	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cccc(C(=O)[O-])c1F	ZINC001242379402	822974607	/nfs/dbraw/zinc/97/46/07/822974607.db2.gz	PHGDLGDAVXXCIJ-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cc1F	ZINC001242390519	822978666	/nfs/dbraw/zinc/97/86/66/822978666.db2.gz	RKCBWFGFBSYMQU-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c2[nH]ccc21	ZINC001242392291	822979752	/nfs/dbraw/zinc/97/97/52/822979752.db2.gz	RJOVNUIIFDTQDM-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#CC(=C([O-])C(F)=C1CCCC1)c1cccc(F)n1	ZINC001342611990	936471965	/nfs/dbraw/zinc/47/19/65/936471965.db2.gz	WNQFKDXALSDWOX-SNVBAGLBSA-N	-1	0	262.259	3.195	20	30		CGEDRM
CCc1ncoc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC001343754232	936512781	/nfs/dbraw/zinc/51/27/81/936512781.db2.gz	HWSRTTXRZJMXBJ-SECBINFHSA-N	-1	0	287.344	3.061	20	30		CGEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccccc1C(C)C	ZINC001411623128	928540922	/nfs/dbraw/zinc/54/09/22/928540922.db2.gz	VLQVPFSRHAEXCM-UHFFFAOYSA-N	-1	0	295.342	3.343	20	30		CGEDRM
N#CC1(c2cccc(Nc3cc(=O)[n-]c(Cl)n3)c2)CC1	ZINC001213317074	928722946	/nfs/dbraw/zinc/72/29/46/928722946.db2.gz	SWDXGXFFUOPZFC-UHFFFAOYSA-N	-1	0	286.722	3.134	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)CSc1nc2ccccc2s1	ZINC001452733038	937397615	/nfs/dbraw/zinc/39/76/15/937397615.db2.gz	FXPVEWZMRQTFPA-VIFPVBQESA-N	-1	0	294.401	3.011	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@H](Oc1cccc(Cl)c1)C(C)C	ZINC001452774342	937398757	/nfs/dbraw/zinc/39/87/57/937398757.db2.gz	IOTMBKQNKBFAAJ-CQSZACIVSA-N	-1	0	297.782	3.367	20	30		CGEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228901501	932048225	/nfs/dbraw/zinc/04/82/25/932048225.db2.gz	LULXJBNDZUJBIW-INIZCTEOSA-N	-1	0	292.338	3.258	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)ccc1C#N)C1CCCCC1	ZINC001228902048	932049353	/nfs/dbraw/zinc/04/93/53/932049353.db2.gz	OTXJJFROMFGEPR-CYBMUJFWSA-N	-1	0	260.337	3.397	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)ccc1C#N)C1CCCCC1	ZINC001228902049	932049383	/nfs/dbraw/zinc/04/93/83/932049383.db2.gz	OTXJJFROMFGEPR-ZDUSSCGKSA-N	-1	0	260.337	3.397	20	30		CGEDRM
C=C[C@H](CCCCCC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230282621	932550620	/nfs/dbraw/zinc/55/06/20/932550620.db2.gz	XBRJZASQSKSUTH-LLVKDONJSA-N	-1	0	266.341	3.100	20	30		CGEDRM
C#C[C@H](Oc1cccc2oc(=S)[n-]c21)c1ccncc1	ZINC001231064404	932670202	/nfs/dbraw/zinc/67/02/02/932670202.db2.gz	DZIAMOJJPZTTRG-NSHDSACASA-N	-1	0	282.324	3.265	20	30		CGEDRM
CCc1cccc(C(=O)Nc2ccc(OCC#N)cc2)c1O	ZINC001319829026	933939544	/nfs/dbraw/zinc/93/95/44/933939544.db2.gz	PLZQDIWDARUOJZ-UHFFFAOYSA-N	-1	0	296.326	3.109	20	30		CGEDRM
CC(C)(C(=O)[N-]Oc1ccccc1F)c1ccc(C#N)cc1	ZINC001471718817	937768690	/nfs/dbraw/zinc/76/86/90/937768690.db2.gz	UAHXWWHEWRWSFE-UHFFFAOYSA-N	-1	0	298.317	3.085	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c1	ZINC001472267251	937774899	/nfs/dbraw/zinc/77/48/99/937774899.db2.gz	GWBPPDBBXVKHHW-UHFFFAOYSA-N	-1	0	293.326	3.253	20	30		CGEDRM
Oc1ccc(C=NNC[C@H]2CCCC2(F)F)c(F)c1F	ZINC001333199737	935516725	/nfs/dbraw/zinc/51/67/25/935516725.db2.gz	KEJDUKUKSNECRG-SECBINFHSA-N	-1	0	290.260	3.029	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2cccc(C3CC3)c2)c1	ZINC001546333009	938000648	/nfs/dbraw/zinc/00/06/48/938000648.db2.gz	SKXPSPNJUVSXMQ-UHFFFAOYSA-N	-1	0	292.338	3.322	20	30		CGEDRM
N#CC(=C([O-])c1csc(C2CC2)n1)c1cccc(F)n1	ZINC001524705426	938044975	/nfs/dbraw/zinc/04/49/75/938044975.db2.gz	RIIFQSCVNYFXFM-VIFPVBQESA-N	-1	0	287.319	3.045	20	30		CGEDRM
C=C(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC001526721453	938057624	/nfs/dbraw/zinc/05/76/24/938057624.db2.gz	KZVRNAGQBNYLPG-CYBMUJFWSA-N	-1	0	299.729	3.077	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(F)c1[O-]	ZINC001532333215	938086142	/nfs/dbraw/zinc/08/61/42/938086142.db2.gz	OUZSHNXEYKAHLE-RISCZKNCSA-N	-1	0	277.339	3.396	20	30		CGEDRM
C#C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1	ZINC001602672952	971239202	/nfs/dbraw/zinc/23/92/02/971239202.db2.gz	RMAKEMRXAVZPPP-ZDUSSCGKSA-N	-1	0	289.331	3.050	20	30		CGEDRM
Cc1cc(NCc2csc(C#N)c2)ccc1C(=O)[O-]	ZINC001594325234	958162028	/nfs/dbraw/zinc/16/20/28/958162028.db2.gz	KFVJUHZHITYHFB-UHFFFAOYSA-N	-1	0	272.329	3.239	20	30		CGEDRM
CCCCCCCCCC(=O)NC(C)(C)C(=O)[O-]	ZINC000104151902	958362742	/nfs/dbraw/zinc/36/27/42/958362742.db2.gz	OSGHPGAWPYAOTC-UHFFFAOYSA-N	-1	0	257.374	3.107	20	30		CGEDRM
CC[C@@H](Sc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000162511953	959216438	/nfs/dbraw/zinc/21/64/38/959216438.db2.gz	MBUHQSSKPKBGMR-SECBINFHSA-N	-1	0	255.726	3.167	20	30		CGEDRM
CCCCCCCCC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000165336099	959279542	/nfs/dbraw/zinc/27/95/42/959279542.db2.gz	IWNXICQGGQOWAZ-UHFFFAOYSA-N	-1	0	283.412	3.498	20	30		CGEDRM
C=CC[C@@H](Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-]	ZINC001588752331	960492272	/nfs/dbraw/zinc/49/22/72/960492272.db2.gz	VZKLVXUBLPFDBQ-LLVKDONJSA-N	-1	0	273.254	3.233	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001573346599	962940987	/nfs/dbraw/zinc/94/09/87/962940987.db2.gz	DNVLVOPZMWFQTO-VIFPVBQESA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=CCC[C@H](C(=O)N(CCC)CC(=O)[O-])c1ccccc1	ZINC001588457324	963279207	/nfs/dbraw/zinc/27/92/07/963279207.db2.gz	VEQRBMGQZITQLJ-HNNXBMFYSA-N	-1	0	289.375	3.060	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588535584	963285812	/nfs/dbraw/zinc/28/58/12/963285812.db2.gz	JQNQUCMSAMIUHH-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N(C)c1ccccc1C(C)C	ZINC001588612466	963291019	/nfs/dbraw/zinc/29/10/19/963291019.db2.gz	PXRZEDKDIQHIGE-UHFFFAOYSA-N	-1	0	275.348	3.194	20	30		CGEDRM
C=C(CC(C)C)C(=O)N1CCCc2ccc(C(=O)[O-])cc21	ZINC001588605876	963291154	/nfs/dbraw/zinc/29/11/54/963291154.db2.gz	QCFIXWLCBPRQLG-UHFFFAOYSA-N	-1	0	287.359	3.266	20	30		CGEDRM
C=C(CC)COC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588606661	963291457	/nfs/dbraw/zinc/29/14/57/963291457.db2.gz	CWUIIJZDWLLHRV-UHFFFAOYSA-N	-1	0	268.696	3.161	20	30		CGEDRM
C=C(CC(C)C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21	ZINC001588605345	963293366	/nfs/dbraw/zinc/29/33/66/963293366.db2.gz	AGFODSYUTWTEAF-UHFFFAOYSA-N	-1	0	298.342	3.474	20	30		CGEDRM
C=C1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1	ZINC001588650499	963296472	/nfs/dbraw/zinc/29/64/72/963296472.db2.gz	GHRMFXKXFDIQKU-UHFFFAOYSA-N	-1	0	296.710	3.103	20	30		CGEDRM
C=C[C@H](CC)CC(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001588690645	963299349	/nfs/dbraw/zinc/29/93/49/963299349.db2.gz	GLVCUKMXHMJZMG-MRVPVSSYSA-N	-1	0	283.274	3.204	20	30		CGEDRM
C=CC(C)(C)CNc1ncc(C(=O)[O-])cc1C(F)(F)F	ZINC001588681292	963300594	/nfs/dbraw/zinc/30/05/94/963300594.db2.gz	VQZFGBNSYQPHLJ-UHFFFAOYSA-N	-1	0	288.269	3.423	20	30		CGEDRM
C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC001588682847	963301550	/nfs/dbraw/zinc/30/15/50/963301550.db2.gz	RAXXMVIXRDAESM-YMTOWFKASA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1c(CC)cccc1C(=O)[O-]	ZINC001588691012	963303472	/nfs/dbraw/zinc/30/34/72/963303472.db2.gz	OXNKEXCRLPCKDI-NSHDSACASA-N	-1	0	275.348	3.488	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1	ZINC001588693346	963304374	/nfs/dbraw/zinc/30/43/74/963304374.db2.gz	WTTDEZCWNSZXPC-UWVGGRQHSA-N	-1	0	266.293	3.184	20	30		CGEDRM
C=CC[C@@H](Nc1cccc(-c2ncco2)c1C)C(=O)[O-]	ZINC001588750501	963309950	/nfs/dbraw/zinc/30/99/50/963309950.db2.gz	FHVLWLLKCZRCJH-CYBMUJFWSA-N	-1	0	272.304	3.091	20	30		CGEDRM
C=CC[C@@H](Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-]	ZINC001588750815	963312085	/nfs/dbraw/zinc/31/20/85/963312085.db2.gz	GLRHHBFIRMBPIV-LLVKDONJSA-N	-1	0	274.320	3.392	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC001588790535	963314953	/nfs/dbraw/zinc/31/49/53/963314953.db2.gz	YNDZRTXBNWPTTE-RDBSUJKOSA-N	-1	0	293.407	3.151	20	30		CGEDRM
C=CCC[C@@H](C(=O)O[C@H](C)CC(=O)[O-])c1ccccc1	ZINC001588776942	963316476	/nfs/dbraw/zinc/31/64/76/963316476.db2.gz	NXOFTUXQHJYWIL-TZMCWYRMSA-N	-1	0	276.332	3.143	20	30		CGEDRM
C=CC[C@H]1CCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588772247	963317645	/nfs/dbraw/zinc/31/76/45/963317645.db2.gz	BBXDRSAVZNMLLY-JTQLQIEISA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=CCCC[C@H](NC(=O)C1(CC=C)CCCC1)C(=O)[O-]	ZINC001588789338	963318598	/nfs/dbraw/zinc/31/85/98/963318598.db2.gz	BCGXESKPJSSNON-ZDUSSCGKSA-N	-1	0	279.380	3.049	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)c1ccccc1	ZINC001588829282	963322996	/nfs/dbraw/zinc/32/29/96/963322996.db2.gz	NVFDFSDOYUKUII-UHFFFAOYSA-N	-1	0	284.359	3.468	20	30		CGEDRM
C=CCOc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c1	ZINC001588872817	963327631	/nfs/dbraw/zinc/32/76/31/963327631.db2.gz	LQLKYYYPJCDBAR-VOTSOKGWSA-N	-1	0	298.294	3.439	20	30		CGEDRM
C=CCOCSc1cc(Cl)ccc1C(=O)[O-]	ZINC001588868603	963328778	/nfs/dbraw/zinc/32/87/78/963328778.db2.gz	MKRPKEOXPDFZBC-UHFFFAOYSA-N	-1	0	258.726	3.290	20	30		CGEDRM
CC#CCCCC(=O)Nc1c(CC)cccc1C(=O)[O-]	ZINC001588926902	963331086	/nfs/dbraw/zinc/33/10/86/963331086.db2.gz	BWNNEHOSIMZLCI-UHFFFAOYSA-N	-1	0	273.332	3.079	20	30		CGEDRM
C/C(=C/CSc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001588991507	963339226	/nfs/dbraw/zinc/33/92/26/963339226.db2.gz	XKZGDCIOGYLTFA-YWEYNIOJSA-N	-1	0	267.737	3.335	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000314942499	963832929	/nfs/dbraw/zinc/83/29/29/963832929.db2.gz	PEPULJODRGPZNY-UHFFFAOYSA-N	-1	0	290.363	3.417	20	30		CGEDRM
CC(C)(C)[C@@H](Nc1ncc(C#N)c2ccsc21)C(=O)[O-]	ZINC001589719471	964016453	/nfs/dbraw/zinc/01/64/53/964016453.db2.gz	HNKYHTNCSGKNLC-NSHDSACASA-N	-1	0	289.360	3.079	20	30		CGEDRM
C#Cc1cccc(N(C)C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC001588438881	964026530	/nfs/dbraw/zinc/02/65/30/964026530.db2.gz	GQIZPRCOTRIXAV-UHFFFAOYSA-N	-1	0	294.310	3.034	20	30		CGEDRM
C[C@H](CC#N)n1nc(C(=O)[O-])cc1-c1ccc(Cl)s1	ZINC001592226492	977419357	/nfs/dbraw/zinc/41/93/57/977419357.db2.gz	ZUARRQNODGTFOJ-SSDOTTSWSA-N	-1	0	295.751	3.438	20	30		CGEDRM
CC(CCC(=O)[O-])N=Nc1ncc(Cl)cc1Cl	ZINC001592470327	978220577	/nfs/dbraw/zinc/22/05/77/978220577.db2.gz	KAFPYGPGLASBHZ-UHFFFAOYSA-N	-1	0	276.123	3.041	20	30		CGEDRM
CCC(CC)(C(=O)[O-])C(=O)CSc1cccc(C#N)c1	ZINC001595045162	979251394	/nfs/dbraw/zinc/25/13/94/979251394.db2.gz	FPUYKCMYBAVMHK-UHFFFAOYSA-N	-1	0	291.372	3.110	20	30		CGEDRM
C[C@H](Cc1ccc(NCc2cccc(C#N)c2)cc1)C(=O)[O-]	ZINC001592876811	979741860	/nfs/dbraw/zinc/74/18/60/979741860.db2.gz	CVKRGRILHHQHQD-CYBMUJFWSA-N	-1	0	294.354	3.434	20	30		CGEDRM
CCCC[C@@H](SCCCC1(C#N)CCOCC1)C(=O)[O-]	ZINC001595655584	982046163	/nfs/dbraw/zinc/04/61/63/982046163.db2.gz	MKMHOCKFIVYJTI-CYBMUJFWSA-N	-1	0	299.436	3.464	20	30		CGEDRM
CCCCCCCNC(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001595704286	982273463	/nfs/dbraw/zinc/27/34/63/982273463.db2.gz	CDDQFZIKIUGJDD-UHFFFAOYSA-N	-1	0	281.327	3.224	20	30		CGEDRM
CC[C@@H](C)[C@H](Nc1cccc(OCCCC#N)c1)C(=O)[O-]	ZINC001594922371	982476260	/nfs/dbraw/zinc/47/62/60/982476260.db2.gz	YPOIHJOWTSTVID-DOMZBBRYSA-N	-1	0	290.363	3.280	20	30		CGEDRM
CCO[C@H]1CC(N=Nc2cccc(F)c2C(=O)[O-])C1(C)C	ZINC001596804002	985320289	/nfs/dbraw/zinc/32/02/89/985320289.db2.gz	AGQDIWITTJKPHY-LBPRGKRZSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCc1cc(Nc2ccc(C(=O)[O-])nc2C#N)ccc1F	ZINC001597482565	987979565	/nfs/dbraw/zinc/97/95/65/987979565.db2.gz	MEQDAVPXFKITIN-UHFFFAOYSA-N	-1	0	285.278	3.097	20	30		CGEDRM
CCc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)s1	ZINC001597494947	988039743	/nfs/dbraw/zinc/03/97/43/988039743.db2.gz	MMJHPDQJKYFGQE-XQRVVYSFSA-N	-1	0	289.356	3.243	20	30		CGEDRM
CC(C)(CCC#N)COC(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001590656247	990353157	/nfs/dbraw/zinc/35/31/57/990353157.db2.gz	LXUCIUILHJQXOB-UHFFFAOYSA-N	-1	0	293.294	3.011	20	30		CGEDRM
C[C@H](OC(=O)CC#Cc1ccccc1)c1ccc(C(=O)[O-])o1	ZINC001593516761	995549664	/nfs/dbraw/zinc/54/96/64/995549664.db2.gz	SNCFPGQNLJJRRE-LBPRGKRZSA-N	-1	0	298.294	3.024	20	30		CGEDRM
C=CCC1(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCC1	ZINC000621580049	349548995	/nfs/dbraw/zinc/54/89/95/349548995.db2.gz	KXFCHDUNHZMFLF-UHFFFAOYSA-N	-1	0	299.370	3.016	20	30		CGEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)o1	ZINC000353645625	529711397	/nfs/dbraw/zinc/71/13/97/529711397.db2.gz	PEPKONQBMYNEEG-SNVBAGLBSA-N	-1	0	295.298	3.177	20	30		CGEDRM
N#CC(=C([O-])c1ccc(C#N)cc1)c1nc2ccccc2o1	ZINC000041545876	344972137	/nfs/dbraw/zinc/97/21/37/344972137.db2.gz	SCAFFKDVKCLOAN-ZDUSSCGKSA-N	-1	0	287.278	3.190	20	30		CGEDRM
N#CCCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000594343534	347171137	/nfs/dbraw/zinc/17/11/37/347171137.db2.gz	RVSXZASEQIUDIB-UHFFFAOYSA-N	-1	0	270.691	3.207	20	30		CGEDRM
CCCn1nc(C)c(-c2ccc(CC(=O)[O-])c(C#N)c2)c1C	ZINC000594871909	347217719	/nfs/dbraw/zinc/21/77/19/347217719.db2.gz	DVCLMWBNAOLWSD-UHFFFAOYSA-N	-1	0	297.358	3.076	20	30		CGEDRM
C[C@@]1(C#N)CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC000598416416	347657121	/nfs/dbraw/zinc/65/71/21/347657121.db2.gz	BKANFPVFPSTPMS-ZDUSSCGKSA-N	-1	0	299.157	3.075	20	30		CGEDRM
Cc1ccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])cc1C#N	ZINC000600965946	347849820	/nfs/dbraw/zinc/84/98/20/347849820.db2.gz	YDKGGZMMCPAFGN-UHFFFAOYSA-N	-1	0	283.331	3.183	20	30		CGEDRM
CC1(c2cc(=O)n(-c3ccc(C#N)c(Cl)c3)[n-]2)CC1	ZINC000601951137	347928473	/nfs/dbraw/zinc/92/84/73/347928473.db2.gz	ZRBWXDQEWSNUND-UHFFFAOYSA-N	-1	0	273.723	3.104	20	30		CGEDRM
Cc1[n-]n([C@H](Cc2ccccc2)C(C)C)c(=O)c1CCC#N	ZINC000601959988	347929170	/nfs/dbraw/zinc/92/91/70/347929170.db2.gz	QLKOINYXRSXRTH-IAGOWNOFSA-N	-1	0	297.402	3.392	20	30		CGEDRM
Cc1[n-]n(-c2cccc(Cl)c2C)c(=O)c1CCC#N	ZINC000603920996	348102648	/nfs/dbraw/zinc/10/26/48/348102648.db2.gz	JOFCDOYLRPBTSC-NSHDSACASA-N	-1	0	275.739	3.291	20	30		CGEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000617787029	349012770	/nfs/dbraw/zinc/01/27/70/349012770.db2.gz	GDJIWOZCWFQTBI-NSHDSACASA-N	-1	0	279.767	3.474	20	30		CGEDRM
Cc1cocc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000626466956	350309801	/nfs/dbraw/zinc/30/98/01/350309801.db2.gz	XHTBBBGEPQSGJH-JTQLQIEISA-N	-1	0	272.329	3.412	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC000630319565	350823461	/nfs/dbraw/zinc/82/34/61/350823461.db2.gz	CMWJDBWZCUJDEI-ZDUSSCGKSA-N	-1	0	295.766	3.106	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1ccccc1C(C)C)C(=O)[O-]	ZINC000630951964	350914189	/nfs/dbraw/zinc/91/41/89/350914189.db2.gz	SCTMSABOKLFRFD-AWEZNQCLSA-N	-1	0	290.363	3.351	20	30		CGEDRM
N#Cc1cccc(CNc2ccc(F)c(C(=O)[O-])c2)c1	ZINC000037088483	369060936	/nfs/dbraw/zinc/06/09/36/369060936.db2.gz	XEEKKVMMBUAIMX-UHFFFAOYSA-N	-1	0	270.263	3.008	20	30		CGEDRM
N#CC(=C([O-])c1cncs1)c1cc(C(F)(F)F)ccn1	ZINC000429585101	372375636	/nfs/dbraw/zinc/37/56/36/372375636.db2.gz	IFKJFCHCWLBYTJ-MRVPVSSYSA-N	-1	0	297.261	3.047	20	30		CGEDRM
C=CCCCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000436930089	372842741	/nfs/dbraw/zinc/84/27/41/372842741.db2.gz	FEXRHHLCUWHAPI-UHFFFAOYSA-N	-1	0	271.719	3.271	20	30		CGEDRM
CCCN(CC#N)C(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000179456704	373876312	/nfs/dbraw/zinc/87/63/12/373876312.db2.gz	UBMIOSHPNXBKLS-UHFFFAOYSA-N	-1	0	287.146	3.075	20	30		CGEDRM
N#Cc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1[O-]	ZINC000188478599	375222175	/nfs/dbraw/zinc/22/21/75/375222175.db2.gz	GDZHXADXHZEUQY-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
CC(=Cc1cc2ccccc2o1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193609497	375898187	/nfs/dbraw/zinc/89/81/87/375898187.db2.gz	NJCDXFTXAWQSQJ-YFHOEESVSA-N	-1	0	291.310	3.257	20	30		CGEDRM
COc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1C#N	ZINC000336855753	376013194	/nfs/dbraw/zinc/01/31/94/376013194.db2.gz	YTAIAORCKGCFCW-UHFFFAOYSA-N	-1	0	296.326	3.186	20	30		CGEDRM
CCn1c2ccc(C#N)cc2nc1-c1ccc(C(=O)[O-])cc1	ZINC000536137052	376080591	/nfs/dbraw/zinc/08/05/91/376080591.db2.gz	RMDQDUVRUVIQOK-UHFFFAOYSA-N	-1	0	291.310	3.293	20	30		CGEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274766022	378889966	/nfs/dbraw/zinc/88/99/66/378889966.db2.gz	ZGQVHCHYPIOVLV-MRVPVSSYSA-N	-1	0	287.718	3.104	20	30		CGEDRM
CCc1ocnc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361518940	381784564	/nfs/dbraw/zinc/78/45/64/381784564.db2.gz	LTHUIZCRMVEGGK-ZDUSSCGKSA-N	-1	0	291.310	3.275	20	30		CGEDRM
Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)o1	ZINC000362132657	381886412	/nfs/dbraw/zinc/88/64/12/381886412.db2.gz	CPSGCBXHDMQVOM-JTQLQIEISA-N	-1	0	294.232	3.492	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)o1	ZINC000647379751	392711874	/nfs/dbraw/zinc/71/18/74/392711874.db2.gz	KFJYEDUZPNYCLT-SNVBAGLBSA-N	-1	0	287.344	3.115	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647378362	392712284	/nfs/dbraw/zinc/71/22/84/392712284.db2.gz	RFWQNSNJKMKNGX-LBPRGKRZSA-N	-1	0	283.356	3.214	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000647159861	393362451	/nfs/dbraw/zinc/36/24/51/393362451.db2.gz	GZLLMZAMQHRRFU-UHFFFAOYSA-N	-1	0	275.348	3.203	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000669435152	543106400	/nfs/dbraw/zinc/10/64/00/543106400.db2.gz	WDZNYZUWXDDXLU-HNNXBMFYSA-N	-1	0	299.370	3.360	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000050212895	286931084	/nfs/dbraw/zinc/93/10/84/286931084.db2.gz	WURMNOXQYIDAEF-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
CC(C)C[C@H](Nc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000068769386	165047056	/nfs/dbraw/zinc/04/70/56/165047056.db2.gz	XUMOSKHEEGYUIN-AWEZNQCLSA-N	-1	0	283.331	3.018	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)o1	ZINC000344590249	225112460	/nfs/dbraw/zinc/11/24/60/225112460.db2.gz	LZHMHZSNEWPVBM-SNVBAGLBSA-N	-1	0	297.339	3.391	20	30		CGEDRM
C=CCCOCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000680618687	543720140	/nfs/dbraw/zinc/72/01/40/543720140.db2.gz	VHYVPMOZEISTOT-UHFFFAOYSA-N	-1	0	290.146	3.230	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000653328666	419027218	/nfs/dbraw/zinc/02/72/18/419027218.db2.gz	LFJCRPVCVPAAQG-GLQYFDAESA-N	-1	0	287.359	3.018	20	30		CGEDRM
Cc1ccc([C@H]2CCCN2C(=O)N=c2cn[n-]s2)cc1	ZINC000330262224	228084312	/nfs/dbraw/zinc/08/43/12/228084312.db2.gz	PSTLUEGSPOIYON-GFCCVEGCSA-N	-1	0	288.376	3.229	20	30		CGEDRM
CC[C@@H](C#N)S(=O)(=O)Nc1cc(Cl)ccc1Cl	ZINC000088474713	263053766	/nfs/dbraw/zinc/05/37/66/263053766.db2.gz	SVPWAKAXSDHFHZ-QMMMGPOBSA-N	-1	0	293.175	3.037	20	30		CGEDRM
C[C@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC=CCC1	ZINC000331361879	264209839	/nfs/dbraw/zinc/20/98/39/264209839.db2.gz	ZQATXIBEZCLQKT-AWEZNQCLSA-N	-1	0	276.292	3.104	20	30		CGEDRM
C=C(C)CS(=O)(=O)[N-]c1nn(C2CCCCC2)cc1C	ZINC000357094421	266247084	/nfs/dbraw/zinc/24/70/84/266247084.db2.gz	ZOSLACWNKCOUKV-UHFFFAOYSA-N	-1	0	297.424	3.015	20	30		CGEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000435772824	268102904	/nfs/dbraw/zinc/10/29/04/268102904.db2.gz	RRDWMDBCOBUKRM-GFCCVEGCSA-N	-1	0	291.266	3.091	20	30		CGEDRM
CC(C)(CCC(=O)[O-])Nc1ccc2cc(C#N)ccc2n1	ZINC000566057301	322102152	/nfs/dbraw/zinc/10/21/52/322102152.db2.gz	HRPIDEQMQLIDDZ-UHFFFAOYSA-N	-1	0	283.331	3.162	20	30		CGEDRM
C=CCN(CC1CCCCC1)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC000566483493	327393673	/nfs/dbraw/zinc/39/36/73/327393673.db2.gz	LZILVOFPFJYBMN-CYBMUJFWSA-N	-1	0	281.396	3.082	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000398112079	329433870	/nfs/dbraw/zinc/43/38/70/329433870.db2.gz	YXINKIGLXVZCEV-CZUORRHYSA-N	-1	0	296.411	3.160	20	30		CGEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000262928766	330037176	/nfs/dbraw/zinc/03/71/76/330037176.db2.gz	OQHHBLYZDXOALE-HIFRSBDPSA-N	-1	0	289.375	3.024	20	30		CGEDRM
C=CC[C@@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000080028668	334165346	/nfs/dbraw/zinc/16/53/46/334165346.db2.gz	BOJOUQAUGFHUCL-SSDOTTSWSA-N	-1	0	274.147	3.393	20	30		CGEDRM
O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1C[C@@]12CCOC2	ZINC000329998653	534329925	/nfs/dbraw/zinc/32/99/25/534329925.db2.gz	SSIGLVUABNNTJP-AMIZOPFISA-N	-1	0	285.702	3.199	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000262978418	534570834	/nfs/dbraw/zinc/57/08/34/534570834.db2.gz	PDFZZELUTQRSNB-UHFFFAOYSA-N	-1	0	289.331	3.100	20	30		CGEDRM
CC(N=Nc1ncccn1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727651330	571759339	/nfs/dbraw/zinc/75/93/39/571759339.db2.gz	UEZUGAUPTUIRHK-UHFFFAOYSA-N	-1	0	297.145	3.325	20	30		CGEDRM
N#Cc1ccc([C@@H](OC(=O)CC2=CCCCC2)C(=O)[O-])cc1	ZINC000739110399	572401730	/nfs/dbraw/zinc/40/17/30/572401730.db2.gz	PYUZMQKXJZTRSP-MRXNPFEDSA-N	-1	0	299.326	3.118	20	30		CGEDRM
N#Cc1c(F)cccc1Nc1cccc(CNC(=O)[O-])c1	ZINC000740310885	572439402	/nfs/dbraw/zinc/43/94/02/572439402.db2.gz	KYGRGQZUECFNOY-UHFFFAOYSA-N	-1	0	285.278	3.209	20	30		CGEDRM
CCO[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])C12CCC2	ZINC000741163245	572485678	/nfs/dbraw/zinc/48/56/78/572485678.db2.gz	ITGIZFDIEUMCFP-CQSZACIVSA-N	-1	0	288.347	3.132	20	30		CGEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2ccsc2)c1	ZINC000733206516	572544399	/nfs/dbraw/zinc/54/43/99/572544399.db2.gz	MNKMECCAHOQLRQ-PLNGDYQASA-N	-1	0	288.324	3.108	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)COC2	ZINC000743417558	572658029	/nfs/dbraw/zinc/65/80/29/572658029.db2.gz	LENGPXBUYVJKJG-UHFFFAOYSA-N	-1	0	296.326	3.251	20	30		CGEDRM
[O-]c1c(F)cc(C=NNCCCc2ccccc2)cc1F	ZINC000749855814	573047800	/nfs/dbraw/zinc/04/78/00/573047800.db2.gz	VTZJOCMJYRNGQW-UHFFFAOYSA-N	-1	0	290.313	3.227	20	30		CGEDRM
O=C1c2cc(F)ccc2O/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000749890993	573052727	/nfs/dbraw/zinc/05/27/27/573052727.db2.gz	FVWWSANARXEKHS-WLRTZDKTSA-N	-1	0	292.212	3.426	20	30		CGEDRM
C=CCc1ccccc1OCc1cc(C(=O)[O-])co1	ZINC000051329519	599843981	/nfs/dbraw/zinc/84/39/81/599843981.db2.gz	XQUCUMSIHHQUFE-UHFFFAOYSA-N	-1	0	258.273	3.285	20	30		CGEDRM
Cc1ncsc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000774117514	598201665	/nfs/dbraw/zinc/20/16/65/598201665.db2.gz	DVNZNADIMWQXAD-AATRIKPKSA-N	-1	0	273.313	3.046	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147341105	600288758	/nfs/dbraw/zinc/28/87/58/600288758.db2.gz	TWLVNXFUWGIWGE-UHFFFAOYSA-N	-1	0	296.754	3.468	20	30		CGEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(C)C	ZINC000162365147	600506589	/nfs/dbraw/zinc/50/65/89/600506589.db2.gz	YWWWAVWAVHCVLW-UHFFFAOYSA-N	-1	0	296.754	3.467	20	30		CGEDRM
N#CCc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1	ZINC000833068728	600733606	/nfs/dbraw/zinc/73/36/06/600733606.db2.gz	BCTAWUMUAWCRDQ-OAHLLOKOSA-N	-1	0	284.290	3.130	20	30		CGEDRM
C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccs1	ZINC000827717855	601297338	/nfs/dbraw/zinc/29/73/38/601297338.db2.gz	LUHJEGYGCDHRSW-HZMBPMFUSA-N	-1	0	286.356	3.096	20	30		CGEDRM
CSc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000832774138	601330767	/nfs/dbraw/zinc/33/07/67/601330767.db2.gz	AOKAFBOHWLXOLO-UITAMQMPSA-N	-1	0	287.340	3.331	20	30		CGEDRM
C[C@@H](SCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000827902585	601577060	/nfs/dbraw/zinc/57/70/60/601577060.db2.gz	NNVPNVZZMRVMFW-SECBINFHSA-N	-1	0	288.290	3.263	20	30		CGEDRM
CC(C)Oc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000827038773	601791914	/nfs/dbraw/zinc/79/19/14/601791914.db2.gz	SGRSMJXRSJJFDH-FPYGCLRLSA-N	-1	0	299.326	3.396	20	30		CGEDRM
Cc1cc(F)ccc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1	ZINC000832890256	601793193	/nfs/dbraw/zinc/79/31/93/601793193.db2.gz	TVSPMCWKNNPXBG-GORDUTHDSA-N	-1	0	273.263	3.057	20	30		CGEDRM
CCN(C)c1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829618537	601793793	/nfs/dbraw/zinc/79/37/93/601793793.db2.gz	DXWTVTQXBWRSPX-RUDMXATFSA-N	-1	0	298.342	3.065	20	30		CGEDRM
CCC(CC)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000828859228	602343604	/nfs/dbraw/zinc/34/36/04/602343604.db2.gz	UWSHWWXIGNOHKT-OAHLLOKOSA-N	-1	0	289.331	3.053	20	30		CGEDRM
N#Cc1ccc(Oc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000831141412	603196628	/nfs/dbraw/zinc/19/66/28/603196628.db2.gz	HZKSZHJHIZLUDH-UHFFFAOYSA-N	-1	0	299.242	3.349	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823490593	603387483	/nfs/dbraw/zinc/38/74/83/603387483.db2.gz	GYTOGXPUGLYRHX-WDEREUQCSA-N	-1	0	291.351	3.101	20	30		CGEDRM
CCn1cc(/C=C\C(=O)c2ccc(C)cc2[O-])c(C)n1	ZINC000899363546	620659368	/nfs/dbraw/zinc/65/93/68/620659368.db2.gz	PCXHWRYQHNSDPY-VURMDHGXSA-N	-1	0	270.332	3.122	20	30		CGEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cn1	ZINC000827186475	604628908	/nfs/dbraw/zinc/62/89/08/604628908.db2.gz	KLKWDDWBYOUCHJ-BAQGIRSFSA-N	-1	0	284.315	3.058	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)s1	ZINC000833072482	604630423	/nfs/dbraw/zinc/63/04/23/604630423.db2.gz	NDGMTIPEDQZDNJ-BQYQJAHWSA-N	-1	0	283.308	3.214	20	30		CGEDRM
CC(N=Nc1ccccn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814732081	604634816	/nfs/dbraw/zinc/63/48/16/604634816.db2.gz	WSNFRFSOAKXZKX-LLVKDONJSA-N	-1	0	263.341	3.151	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H](C)C1	ZINC000763370546	604668391	/nfs/dbraw/zinc/66/83/91/604668391.db2.gz	QXSMCHQILLCURT-UWVGGRQHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cn2)C[C@H]1c1ccccc1	ZINC000763372357	604669131	/nfs/dbraw/zinc/66/91/31/604669131.db2.gz	WURGAMCXOCKVRS-BXUZGUMPSA-N	-1	0	295.342	3.371	20	30		CGEDRM
O=C([O-])Cc1cccc(NCC#Cc2cccc(Cl)c2)c1	ZINC000833268224	604801286	/nfs/dbraw/zinc/80/12/86/604801286.db2.gz	DAENWDPMIBOIOD-UHFFFAOYSA-N	-1	0	299.757	3.431	20	30		CGEDRM
Cc1cc(OCCCC(C)(C)C#N)c(C(=O)[O-])s1	ZINC000087596476	604810698	/nfs/dbraw/zinc/81/06/98/604810698.db2.gz	GEXVJLCCIDMVOX-UHFFFAOYSA-N	-1	0	267.350	3.464	20	30		CGEDRM
C=CCNc1cc(Br)cc(C(=O)[O-])c1Cl	ZINC000833376193	604924943	/nfs/dbraw/zinc/92/49/43/604924943.db2.gz	WRZUOWFRDSJKGJ-UHFFFAOYSA-N	-1	0	290.544	3.399	20	30		CGEDRM
C=CCOc1cccc(N[C@@H](CCCC)C(=O)[O-])c1	ZINC000833378934	605005615	/nfs/dbraw/zinc/00/56/15/605005615.db2.gz	SBOLNPHIONKXGL-AWEZNQCLSA-N	-1	0	263.337	3.307	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000398102369	605057493	/nfs/dbraw/zinc/05/74/93/605057493.db2.gz	UASKYBDUMNCYIO-SNVBAGLBSA-N	-1	0	294.326	3.390	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cc(F)c(F)cc1F	ZINC000767762101	605100131	/nfs/dbraw/zinc/10/01/31/605100131.db2.gz	FMVRRHXSQWQJQW-UHFFFAOYSA-N	-1	0	294.232	3.248	20	30		CGEDRM
O=C([O-])c1ccccc1N=NCCCc1ccccc1	ZINC000812441649	605100958	/nfs/dbraw/zinc/10/09/58/605100958.db2.gz	DKJMTLKJFJEISD-UHFFFAOYSA-N	-1	0	268.316	3.415	20	30		CGEDRM
N#CCCCOc1cccc(NCc2ccc(C(=O)[O-])[nH]2)c1	ZINC000833760132	605113949	/nfs/dbraw/zinc/11/39/49/605113949.db2.gz	GGRDWJXEAWBIQH-UHFFFAOYSA-N	-1	0	299.330	3.008	20	30		CGEDRM
C=CCC[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CC1	ZINC000833373138	605118048	/nfs/dbraw/zinc/11/80/48/605118048.db2.gz	GYWZACLOKXWQCX-RDBSUJKOSA-N	-1	0	280.364	3.165	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccoc1	ZINC000833386643	605156027	/nfs/dbraw/zinc/15/60/27/605156027.db2.gz	ONMGEJVKYWPZQP-UHFFFAOYSA-N	-1	0	278.695	3.467	20	30		CGEDRM
C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000833525183	605219194	/nfs/dbraw/zinc/21/91/94/605219194.db2.gz	NLLSFRDQMDXDLX-GFCCVEGCSA-N	-1	0	295.342	3.499	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833374404	605273974	/nfs/dbraw/zinc/27/39/74/605273974.db2.gz	ZNQGGOSIWJQOIX-LLVKDONJSA-N	-1	0	276.336	3.251	20	30		CGEDRM
C#CC[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(C)c1)C1CC1	ZINC000823441278	605422411	/nfs/dbraw/zinc/42/24/11/605422411.db2.gz	ZXGDBKSCXRATJB-CQSZACIVSA-N	-1	0	287.315	3.044	20	30		CGEDRM
N#Cc1ccc(OCc2cccc(NC(=O)[O-])c2)cc1F	ZINC000833978090	605574605	/nfs/dbraw/zinc/57/46/05/605574605.db2.gz	ZRLNJQUSSHXAPO-UHFFFAOYSA-N	-1	0	286.262	3.366	20	30		CGEDRM
C#CCCCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000833361838	605579903	/nfs/dbraw/zinc/57/99/03/605579903.db2.gz	ODBFCTLSXDDUAN-UHFFFAOYSA-N	-1	0	295.285	3.185	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1occc1C	ZINC000767743258	605593877	/nfs/dbraw/zinc/59/38/77/605593877.db2.gz	HMLWPEQFFMOXIH-UHFFFAOYSA-N	-1	0	258.277	3.122	20	30		CGEDRM
C#CCCCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000833362087	605607033	/nfs/dbraw/zinc/60/70/33/605607033.db2.gz	YRNWUZBWWUIYQG-UHFFFAOYSA-N	-1	0	273.332	3.215	20	30		CGEDRM
C#CCCCCCC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC000833362011	605673466	/nfs/dbraw/zinc/67/34/66/605673466.db2.gz	VRGJGKVLMVWILJ-LLVKDONJSA-N	-1	0	278.304	3.166	20	30		CGEDRM
C[C@H](C#N)Oc1ccccc1NCc1ccc(C(=O)[O-])cc1	ZINC000819874496	605729029	/nfs/dbraw/zinc/72/90/29/605729029.db2.gz	LLDUMZPVTOBAHL-GFCCVEGCSA-N	-1	0	296.326	3.288	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1CCC1	ZINC000042233030	620702296	/nfs/dbraw/zinc/70/22/96/620702296.db2.gz	XGZNFCJEUGWGEP-UHFFFAOYSA-N	-1	0	289.356	3.285	20	30		CGEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CCC(C)C)c(C)s1	ZINC000049501770	617611173	/nfs/dbraw/zinc/61/11/73/617611173.db2.gz	QAZZJLLZROGCDT-UHFFFAOYSA-N	-1	0	289.422	3.446	20	30		CGEDRM
N#Cc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)ccc1F	ZINC000806559053	617720586	/nfs/dbraw/zinc/72/05/86/617720586.db2.gz	SVVGUUXFHQIVCY-FNORWQNLSA-N	-1	0	295.269	3.292	20	30		CGEDRM
O=C1c2ccccc2OC/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000255294400	618163747	/nfs/dbraw/zinc/16/37/47/618163747.db2.gz	BHBZBRVKLKBROC-BJMVGYQFSA-N	-1	0	288.249	3.329	20	30		CGEDRM
CCCCCCCC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000113372262	618719717	/nfs/dbraw/zinc/71/97/17/618719717.db2.gz	JTOZRPMIRXNXIR-ZDUSSCGKSA-N	-1	0	269.385	3.203	20	30		CGEDRM
Cc1cccn2c(/C=C\C(=O)c3ccc([O-])c(F)c3)cnc12	ZINC000255632828	618769698	/nfs/dbraw/zinc/76/96/98/618769698.db2.gz	UOTYOUDXUUNRCL-ALCCZGGFSA-N	-1	0	296.301	3.384	20	30		CGEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)CS1	ZINC000814680664	619421832	/nfs/dbraw/zinc/42/18/32/619421832.db2.gz	CENOUBGMWKTILO-ZDUSSCGKSA-N	-1	0	278.377	3.314	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)C1	ZINC000909519697	619812812	/nfs/dbraw/zinc/81/28/12/619812812.db2.gz	KAFPEHAMIZQKHP-LBPRGKRZSA-N	-1	0	287.359	3.245	20	30		CGEDRM
CS[C@H]1CCCC(N=Nc2ccccc2C(=O)[O-])C1	ZINC000901160247	620838552	/nfs/dbraw/zinc/83/85/52/620838552.db2.gz	YORDXNOEUPBFMD-NSHDSACASA-N	-1	0	278.377	3.458	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21	ZINC000907705027	622308376	/nfs/dbraw/zinc/30/83/76/622308376.db2.gz	SSWPJSQCPCFOLW-QPSCCSFWSA-N	-1	0	293.407	3.081	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909293704	622413814	/nfs/dbraw/zinc/41/38/14/622413814.db2.gz	CTMBOZYCIIIOGF-HNNXBMFYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910297849	622474257	/nfs/dbraw/zinc/47/42/57/622474257.db2.gz	IQPJCZLQVBHUHA-UONOGXRCSA-N	-1	0	287.359	3.416	20	30		CGEDRM
O=C(/C=C/c1cccc(F)c1F)c1ccc(O)cc1[O-]	ZINC000156636983	622832649	/nfs/dbraw/zinc/83/26/49/622832649.db2.gz	MDXSGHJQNNPUSI-QPJJXVBHSA-N	-1	0	276.238	3.272	20	30		CGEDRM
CC(=O)Nc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1	ZINC000156675644	622833942	/nfs/dbraw/zinc/83/39/42/622833942.db2.gz	PCFUBOWESMGNAZ-XBXARRHUSA-N	-1	0	299.301	3.386	20	30		CGEDRM
COc1ccc(O)c(C(=O)/C=C/c2scnc2C)c1	ZINC000156687625	622835000	/nfs/dbraw/zinc/83/50/00/622835000.db2.gz	LZBZALPFTNSUDD-AATRIKPKSA-N	-1	0	275.329	3.062	20	30		CGEDRM
CCCCCCCC(=O)N[C@](C)(CCC)C(=O)[O-]	ZINC000059382727	623006166	/nfs/dbraw/zinc/00/61/66/623006166.db2.gz	JNKVDVXNFHCWFQ-CQSZACIVSA-N	-1	0	257.374	3.107	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1	ZINC000915106192	623896098	/nfs/dbraw/zinc/89/60/98/623896098.db2.gz	NIDRQJCSWSAQNB-IZZDOVSWSA-N	-1	0	296.322	3.218	20	30		CGEDRM
O=C([O-])CCOc1ccc(C=NOCc2ccccc2)cc1	ZINC000915959630	624079575	/nfs/dbraw/zinc/07/95/75/624079575.db2.gz	GZHZHVJHHZAHQU-UHFFFAOYSA-N	-1	0	299.326	3.091	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cccc(Cl)c2)c1	ZINC000916255406	624125576	/nfs/dbraw/zinc/12/55/76/624125576.db2.gz	YTZYHFSJGMBAFT-UHFFFAOYSA-N	-1	0	274.707	3.484	20	30		CGEDRM
CC(C)CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000920945960	624555553	/nfs/dbraw/zinc/55/55/53/624555553.db2.gz	LUQXIYAZHXLOBW-AUWJEWJLSA-N	-1	0	270.716	3.419	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1	ZINC000073837396	626069524	/nfs/dbraw/zinc/06/95/24/626069524.db2.gz	LSHNRYBMMUGDEO-KGLIPLIRSA-N	-1	0	295.404	3.265	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096976	626131050	/nfs/dbraw/zinc/13/10/50/626131050.db2.gz	SGZIXRVPIADBIY-UHFFFAOYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=CC(C)(C)CC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000923213114	626137086	/nfs/dbraw/zinc/13/70/86/626137086.db2.gz	CMVYNJUACLDAFH-UHFFFAOYSA-N	-1	0	281.396	3.273	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2ccccc2C#N)c([O-])c1	ZINC000121332153	626209202	/nfs/dbraw/zinc/20/92/02/626209202.db2.gz	AQLIFIGLJOAZJP-VQHVLOKHSA-N	-1	0	263.296	3.468	20	30		CGEDRM
COc1ccc(NN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000750945410	626371072	/nfs/dbraw/zinc/37/10/72/626371072.db2.gz	GOFFOPIRVKXTGU-UHFFFAOYSA-N	-1	0	278.258	3.125	20	30		CGEDRM
O=C(/C=C/c1cn[nH]c1)c1ccc2ccccc2c1[O-]	ZINC000751533250	626395017	/nfs/dbraw/zinc/39/50/17/626395017.db2.gz	BZBSIRZRIZKECD-VMPITWQZSA-N	-1	0	264.284	3.165	20	30		CGEDRM
CN1CCc2cc(/C=C/C(=O)c3cc(F)ccc3[O-])ccc21	ZINC000751535913	626395332	/nfs/dbraw/zinc/39/53/32/626395332.db2.gz	QUCHJQXMTMFIMR-ZZXKWVIFSA-N	-1	0	297.329	3.420	20	30		CGEDRM
O=C([O-])c1cccc(NN=Cc2cccc3[nH]ccc32)c1	ZINC000755471014	626625080	/nfs/dbraw/zinc/62/50/80/626625080.db2.gz	APWHMIHZAZTJFP-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
CC[C@@H](C)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755466984	626625122	/nfs/dbraw/zinc/62/51/22/626625122.db2.gz	KLNKKGGHZOGMJR-MRVPVSSYSA-N	-1	0	254.717	3.482	20	30		CGEDRM
CCCCCCO[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000839696119	626775849	/nfs/dbraw/zinc/77/58/49/626775849.db2.gz	HTUVJXBFFRDLJZ-GFCCVEGCSA-N	-1	0	290.363	3.188	20	30		CGEDRM
O=C(/C=C/c1nccs1)c1cc(F)cc(F)c1[O-]	ZINC000757471795	626781321	/nfs/dbraw/zinc/78/13/21/626781321.db2.gz	FGFPJRJYBRMHJB-OWOJBTEDSA-N	-1	0	267.256	3.023	20	30		CGEDRM
O=C(/C=C1\COc2ccc(F)cc21)c1ccccc1[O-]	ZINC000757474976	626782469	/nfs/dbraw/zinc/78/24/69/626782469.db2.gz	PEBOWSQLMPSBDP-JXMROGBWSA-N	-1	0	270.259	3.190	20	30		CGEDRM
N#Cc1ccc2c(c1)N(C(=O)c1c([O-])cccc1Cl)CC2	ZINC000757919996	626814185	/nfs/dbraw/zinc/81/41/85/626814185.db2.gz	NEYVORLXVTYOQL-UHFFFAOYSA-N	-1	0	298.729	3.120	20	30		CGEDRM
CCOc1ccccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763369658	627154359	/nfs/dbraw/zinc/15/43/59/627154359.db2.gz	YWOFYMXCSKMGPE-UHFFFAOYSA-N	-1	0	299.330	3.015	20	30		CGEDRM
Cc1cc(C)c(CN=Nc2ccc(C(=O)[O-])cn2)c(C)c1	ZINC000763368895	627154368	/nfs/dbraw/zinc/15/43/68/627154368.db2.gz	BSXRNHOQSVLGDI-UHFFFAOYSA-N	-1	0	283.331	3.151	20	30		CGEDRM
CON=C(C)c1cc(Br)cc(Cl)c1[O-]	ZINC000764682843	627218340	/nfs/dbraw/zinc/21/83/40/627218340.db2.gz	INGZQQIXPYHEDD-UHFFFAOYSA-N	-1	0	278.533	3.179	20	30		CGEDRM
Cn1ccc(/C=C\C(=O)c2cc(Cl)c(Cl)cc2[O-])n1	ZINC000766034084	627289340	/nfs/dbraw/zinc/28/93/40/627289340.db2.gz	MPWALHCMTFRTIO-IHWYPQMZSA-N	-1	0	297.141	3.329	20	30		CGEDRM
Cn1nccc1C(=O)/C=C/c1cc(Cl)c([O-])cc1Cl	ZINC000766037737	627289549	/nfs/dbraw/zinc/28/95/49/627289549.db2.gz	PDVONYLRBWZFQN-NSCUHMNNSA-N	-1	0	297.141	3.329	20	30		CGEDRM
O=C1c2cccc(F)c2C/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772807752	627825301	/nfs/dbraw/zinc/82/53/01/627825301.db2.gz	SLKPWPGUPOTWIH-UXBLZVDNSA-N	-1	0	299.257	3.262	20	30		CGEDRM
CCc1cnc(C=CC(=O)c2sccc2[O-])s1	ZINC000773143396	627862320	/nfs/dbraw/zinc/86/23/20/627862320.db2.gz	SJHBNUTYAANRAK-ONEGZZNKSA-N	-1	0	265.359	3.369	20	30		CGEDRM
CC(=NOC1CCCCC1)c1cccc(C(=O)[O-])c1	ZINC000777457571	628273324	/nfs/dbraw/zinc/27/33/24/628273324.db2.gz	WMJHOFSRXPBYIG-UHFFFAOYSA-N	-1	0	261.321	3.458	20	30		CGEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1ccccc1[O-]	ZINC000777917823	628310902	/nfs/dbraw/zinc/31/09/02/628310902.db2.gz	GCPMVBRCJXFTPK-VURMDHGXSA-N	-1	0	287.246	3.336	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1	ZINC000778998810	628381622	/nfs/dbraw/zinc/38/16/22/628381622.db2.gz	DPNROXRGYQOAIJ-GFCCVEGCSA-N	-1	0	287.281	3.347	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCCOC1	ZINC000779753511	628426715	/nfs/dbraw/zinc/42/67/15/628426715.db2.gz	PXWKWMNDUSFYPL-SNVBAGLBSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CC[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000779783116	628430318	/nfs/dbraw/zinc/43/03/18/628430318.db2.gz	LCVSITYPGKQRBB-JTQLQIEISA-N	-1	0	261.325	3.148	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@]1(C)CCCO1	ZINC000782109888	628616260	/nfs/dbraw/zinc/61/62/60/628616260.db2.gz	BVTDSSJFWPKHRM-AWEZNQCLSA-N	-1	0	296.754	3.395	20	30		CGEDRM
Cc1cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)ccc1O	ZINC000782200914	628624207	/nfs/dbraw/zinc/62/42/07/628624207.db2.gz	OPJJCEKVRNJWPJ-HYXAFXHYSA-N	-1	0	288.324	3.356	20	30		CGEDRM
CCc1cnccc1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782206740	628624614	/nfs/dbraw/zinc/62/46/14/628624614.db2.gz	KCNLUNLVLLAFLH-ARJAWSKDSA-N	-1	0	287.340	3.300	20	30		CGEDRM
Cc1nc(F)ccc1C=CC(=O)c1sccc1[O-]	ZINC000782351767	628641439	/nfs/dbraw/zinc/64/14/39/628641439.db2.gz	NVUJSSRLJZKNGO-RQOWECAXSA-N	-1	0	263.293	3.192	20	30		CGEDRM
O=C([O-])c1ccc(C=NNc2ccc(F)cn2)c(Cl)c1	ZINC000783843041	628750587	/nfs/dbraw/zinc/75/05/87/628750587.db2.gz	SFEXCWOQEJPXCR-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
CC(C)(C)CC(=NNc1cnnc([O-])c1Cl)C1CC1	ZINC000787152103	628995711	/nfs/dbraw/zinc/99/57/11/628995711.db2.gz	QFQAWDOPHGLCRO-UHFFFAOYSA-N	-1	0	282.775	3.450	20	30		CGEDRM
CC[C@H](NN=C(C)[C@@H]1C[C@@H]1c1ccccc1Cl)C(=O)[O-]	ZINC000793054894	629405871	/nfs/dbraw/zinc/40/58/71/629405871.db2.gz	HVNMUEAPQWXRPX-SCRDCRAPSA-N	-1	0	294.782	3.272	20	30		CGEDRM
CC[C@@H](NN=Cc1cccc(Oc2ccccc2)c1)C(=O)[O-]	ZINC000793073138	629408178	/nfs/dbraw/zinc/40/81/78/629408178.db2.gz	YYOIEXDZWKRXTR-MRXNPFEDSA-N	-1	0	298.342	3.266	20	30		CGEDRM
CC[C@H](NN=C/C(C)=C/c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793080428	629408781	/nfs/dbraw/zinc/40/87/81/629408781.db2.gz	YWNBKPCZKFRKAO-ZOTUPJSNSA-N	-1	0	280.755	3.182	20	30		CGEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)C1CC(F)(F)C1	ZINC000863062860	629466426	/nfs/dbraw/zinc/46/64/26/629466426.db2.gz	ISMPIDBRWHOWLI-UHFFFAOYSA-N	-1	0	268.263	3.218	20	30		CGEDRM
CC(C)(CN=Nc1ccc(CC(=O)[O-])cc1)C(C)(F)F	ZINC000863126486	629481507	/nfs/dbraw/zinc/48/15/07/629481507.db2.gz	JUIFWCXCNRLHOY-UHFFFAOYSA-N	-1	0	284.306	3.393	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H](C(C)C)C2)n1	ZINC000794449186	629544105	/nfs/dbraw/zinc/54/41/05/629544105.db2.gz	VUMUGWACVGBRBV-LLVKDONJSA-N	-1	0	262.357	3.105	20	30		CGEDRM
O=C(/C=C/c1c(F)ccc(O)c1F)c1ccc([O-])c(F)c1	ZINC000794934735	629602100	/nfs/dbraw/zinc/60/21/00/629602100.db2.gz	MPMDCVVYSMFXMQ-GORDUTHDSA-N	-1	0	294.228	3.411	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)CCC1CCCCC1)C(=O)[O-]	ZINC000864182081	629793218	/nfs/dbraw/zinc/79/32/18/629793218.db2.gz	IWDOGMSTOZXSCC-GFCCVEGCSA-N	-1	0	287.787	3.059	20	30		CGEDRM
N#Cc1sccc1-c1ccc2c(c1)[C@H]1[C@H](C(=O)[O-])[C@H]1C2	ZINC000864607792	629874492	/nfs/dbraw/zinc/87/44/92/629874492.db2.gz	BJPGZXWIOSHBTR-NWANDNLSSA-N	-1	0	281.336	3.257	20	30		CGEDRM
COc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])ccc1C#N	ZINC000799497245	630191192	/nfs/dbraw/zinc/19/11/92/630191192.db2.gz	LOOQTIKVZGPQOJ-CLTKARDFSA-N	-1	0	297.285	3.308	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)C(C2CCC2)C2CCC2)c1	ZINC000802890625	630424666	/nfs/dbraw/zinc/42/46/66/630424666.db2.gz	DURJZHWJYXCVBV-UHFFFAOYSA-N	-1	0	284.359	3.419	20	30		CGEDRM
Cn1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(C(F)F)n1	ZINC000812241583	631231485	/nfs/dbraw/zinc/23/14/85/631231485.db2.gz	KEDOVWCDKJTEIZ-ARJAWSKDSA-N	-1	0	296.248	3.099	20	30		CGEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC000837044594	634846850	/nfs/dbraw/zinc/84/68/50/634846850.db2.gz	PKSWBAGPDWKHSP-CYBMUJFWSA-N	-1	0	277.364	3.120	20	30		CGEDRM
CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccco1	ZINC000814680953	631620071	/nfs/dbraw/zinc/62/00/71/631620071.db2.gz	PZUQWQSBFIOGGT-UHFFFAOYSA-N	-1	0	258.277	3.204	20	30		CGEDRM
C#CCOCSc1nnc(Nc2ccccc2F)s1	ZINC000814719712	631629390	/nfs/dbraw/zinc/62/93/90/631629390.db2.gz	AXHNZHYNZRHCDP-UHFFFAOYSA-N	-1	0	295.364	3.120	20	30		CGEDRM
C[C@@H]1C(=NOCc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814791408	631639799	/nfs/dbraw/zinc/63/97/99/631639799.db2.gz	GLVAKPZGJHREJP-WCQYABFASA-N	-1	0	261.321	3.080	20	30		CGEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H](C)c1ccccc1	ZINC000814815111	631648148	/nfs/dbraw/zinc/64/81/48/631648148.db2.gz	NLDMLONDEPQQMU-ZDUSSCGKSA-N	-1	0	274.364	3.358	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cccc3cnccc32)c1	ZINC000814836352	631651831	/nfs/dbraw/zinc/65/18/31/631651831.db2.gz	NUJLOZVGKCMRMS-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
CC(N=Nc1ccc(F)cn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814842522	631654201	/nfs/dbraw/zinc/65/42/01/631654201.db2.gz	KOVXLCQNOJOMLA-PWSUYJOCSA-N	-1	0	293.342	3.146	20	30		CGEDRM
O=C([O-])c1cccc(C=NNc2cccc(F)c2F)c1	ZINC000814859069	631657302	/nfs/dbraw/zinc/65/73/02/631657302.db2.gz	JCIIPGONUSEDIT-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
Cc1cccc(F)c1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814905315	631674275	/nfs/dbraw/zinc/67/42/75/631674275.db2.gz	SPHAROKUIONBIK-GHMZBOCLSA-N	-1	0	278.327	3.423	20	30		CGEDRM
C[C@@H]1C(=NOCCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814908899	631676882	/nfs/dbraw/zinc/67/68/82/631676882.db2.gz	BZDBOZLHYHHORF-RKDXNWHRSA-N	-1	0	295.301	3.468	20	30		CGEDRM
COc1cc(F)ccc1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000814915733	631679881	/nfs/dbraw/zinc/67/98/81/631679881.db2.gz	GETHRAFAUTYALE-UHFFFAOYSA-N	-1	0	294.326	3.267	20	30		CGEDRM
C[C@@H]1C(=NN[C@H]2CCCC2(C)C)CC[C@H]1CC(=O)[O-]	ZINC000814917514	631680805	/nfs/dbraw/zinc/68/08/05/631680805.db2.gz	MNVXPPPMKHBXHZ-GVXVVHGQSA-N	-1	0	266.385	3.032	20	30		CGEDRM
C[C@@H]1C(N=Nc2ncccc2F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814927446	631684899	/nfs/dbraw/zinc/68/48/99/631684899.db2.gz	OZKZMHOSRALKIL-ZJUUUORDSA-N	-1	0	293.342	3.146	20	30		CGEDRM
C[C@@H]1C(N=Nc2cccc(F)n2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814928172	631686145	/nfs/dbraw/zinc/68/61/45/631686145.db2.gz	ZHTLJXQHXHAKAA-ZJUUUORDSA-N	-1	0	293.342	3.146	20	30		CGEDRM
CC[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])C(F)(F)F	ZINC000866346594	633091762	/nfs/dbraw/zinc/09/17/62/633091762.db2.gz	HNFIBERJPVKGMW-KWQFWETISA-N	-1	0	272.270	3.255	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830331237	633851008	/nfs/dbraw/zinc/85/10/08/633851008.db2.gz	CEXZOKYDUOMHNG-UHFFFAOYSA-N	-1	0	279.311	3.275	20	30		CGEDRM
CC(CSC(C)(C)C)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006757	634311985	/nfs/dbraw/zinc/31/19/85/634311985.db2.gz	IPPLQYMUXKKBMV-UHFFFAOYSA-N	-1	0	281.381	3.099	20	30		CGEDRM
CC1(C#N)CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000835009368	634313300	/nfs/dbraw/zinc/31/33/00/634313300.db2.gz	RQZXUTMGTOSFGP-UHFFFAOYSA-N	-1	0	289.310	3.396	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C(C)C	ZINC000835009889	634314170	/nfs/dbraw/zinc/31/41/70/634314170.db2.gz	GZMWQJAYCKZCSP-UHFFFAOYSA-N	-1	0	252.289	3.358	20	30		CGEDRM
C[C@@H]1CC(C)(C)CC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010360	634314979	/nfs/dbraw/zinc/31/49/79/634314979.db2.gz	YPVYKZARYQJCEY-SECBINFHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CCC[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000127132883	635519501	/nfs/dbraw/zinc/51/95/01/635519501.db2.gz	KBRILKCQXHVPGM-GFCCVEGCSA-N	-1	0	260.337	3.275	20	30		CGEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000843269954	635630249	/nfs/dbraw/zinc/63/02/49/635630249.db2.gz	RYEUURGEEYZIJG-XQRVVYSFSA-N	-1	0	288.322	3.280	20	30		CGEDRM
CC[C@]1(C)CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000844588437	635937518	/nfs/dbraw/zinc/93/75/18/635937518.db2.gz	VAFOHOVOSMRNEZ-CQSZACIVSA-N	-1	0	261.325	3.148	20	30		CGEDRM
CO[C@@H]1CCCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623977	635945444	/nfs/dbraw/zinc/94/54/44/635945444.db2.gz	OXPSVPNAETTWHM-CQSZACIVSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1C	ZINC000846540744	636196165	/nfs/dbraw/zinc/19/61/65/636196165.db2.gz	IUFTWJNEVGLEAQ-LLVKDONJSA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1cccc(Cl)c1	ZINC000846539581	636196491	/nfs/dbraw/zinc/19/64/91/636196491.db2.gz	JOOATHWUHUSRKC-UHFFFAOYSA-N	-1	0	275.682	3.056	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)Oc1cccc(Cl)c1	ZINC000846546711	636198425	/nfs/dbraw/zinc/19/84/25/636198425.db2.gz	YIJZRTODXFPGRE-JTQLQIEISA-N	-1	0	283.755	3.120	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	ZINC000846552467	636201251	/nfs/dbraw/zinc/20/12/51/636201251.db2.gz	IKWNIHRRLHYCNL-KWQFWETISA-N	-1	0	291.244	3.338	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NCC2CCCCC2)cc1	ZINC000848415604	636571568	/nfs/dbraw/zinc/57/15/68/636571568.db2.gz	OTTHXJHRRIDVNN-UHFFFAOYSA-N	-1	0	260.337	3.292	20	30		CGEDRM
C=CC[C@@H](C)C(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848416072	636571625	/nfs/dbraw/zinc/57/16/25/636571625.db2.gz	XXASUFCCCPELFK-LLVKDONJSA-N	-1	0	260.337	3.314	20	30		CGEDRM
C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1F	ZINC000086054893	636779274	/nfs/dbraw/zinc/77/92/74/636779274.db2.gz	MOEHUFJRFWCMQC-JTQLQIEISA-N	-1	0	299.367	3.158	20	30		CGEDRM
O=C(/C=C\c1cccc(F)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000220710285	637693475	/nfs/dbraw/zinc/69/34/75/637693475.db2.gz	AULJFWRYKYBHIC-XQRVVYSFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C(C)C)c2)C(=O)O1	ZINC000853000522	637728270	/nfs/dbraw/zinc/72/82/70/637728270.db2.gz	CIYRCXMBTDDJQH-QWPQOLDESA-N	-1	0	298.338	3.038	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCOCCF	ZINC000852999333	637728956	/nfs/dbraw/zinc/72/89/56/637728956.db2.gz	ZKWCFHLAIPJFDR-CHHVJCJISA-N	-1	0	280.126	3.104	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000853325218	637810623	/nfs/dbraw/zinc/81/06/23/637810623.db2.gz	IXZWMMBOTWTWPR-NTZNESFSSA-N	-1	0	288.347	3.227	20	30		CGEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000853354470	637823292	/nfs/dbraw/zinc/82/32/92/637823292.db2.gz	KYWMONTYAAWIFL-UHFFFAOYSA-N	-1	0	277.299	3.252	20	30		CGEDRM
CC(=NOCC1CCC1)c1ccc(C(=O)[O-])c(F)c1	ZINC000853440002	637843749	/nfs/dbraw/zinc/84/37/49/637843749.db2.gz	VYWBZALKQSSXNX-UHFFFAOYSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C[C@@H]1C(=NOCC2CCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000853441272	637844691	/nfs/dbraw/zinc/84/46/91/637844691.db2.gz	VBFHTPXHGUTWMM-PWSUYJOCSA-N	-1	0	267.369	3.316	20	30		CGEDRM
C#CCO[N-]C(=O)C1(Sc2ccc(C)cc2)CCCC1	ZINC000855607227	638222137	/nfs/dbraw/zinc/22/21/37/638222137.db2.gz	ZTFNKSJTMYHNJH-UHFFFAOYSA-N	-1	0	289.400	3.081	20	30		CGEDRM
C=CCCO[N-]C(=O)C1(c2c(F)cccc2F)CCC1	ZINC000856027592	638286010	/nfs/dbraw/zinc/28/60/10/638286010.db2.gz	RXUJOGYHIJGCST-UHFFFAOYSA-N	-1	0	281.302	3.010	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1	ZINC000935107714	639750375	/nfs/dbraw/zinc/75/03/75/639750375.db2.gz	KEVVOVOMLZKPKZ-XYYAHUGASA-N	-1	0	270.332	3.029	20	30		CGEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519779	640056273	/nfs/dbraw/zinc/05/62/73/640056273.db2.gz	BYCJNUQCWXLWPD-UHFFFAOYSA-N	-1	0	291.319	3.190	20	30		CGEDRM
CC(C)C[C@@H](C)OCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000088401207	640616984	/nfs/dbraw/zinc/61/69/84/640616984.db2.gz	SCLSHUZOJITVST-GFCCVEGCSA-N	-1	0	290.363	3.044	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000016406037	641011457	/nfs/dbraw/zinc/01/14/57/641011457.db2.gz	NEXMKTVHTTZUQR-XVNBXDOJSA-N	-1	0	294.266	3.068	20	30		CGEDRM
Cc1cc(Nc2c(F)cccc2C#N)ccc1C(=O)[O-]	ZINC001211654888	814926732	/nfs/dbraw/zinc/92/67/32/814926732.db2.gz	CKDKBWGUYWWMEC-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
C=CCC[C@@H](O)CNc1ccc(Cl)cc1[S-]	ZINC001252609556	806086511	/nfs/dbraw/zinc/08/65/11/806086511.db2.gz	XNWWAPOXINRIIW-SNVBAGLBSA-N	-1	0	257.786	3.368	20	30		CGEDRM
N#Cc1ccsc1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC001252958611	806141471	/nfs/dbraw/zinc/14/14/71/806141471.db2.gz	WCYDFTOTKJTUAN-VQHVLOKHSA-N	-1	0	290.369	3.032	20	30		CGEDRM
[O-]/N=C/c1cc(NCC(F)(F)F)cc(C(F)(F)F)c1	ZINC001161632981	806406293	/nfs/dbraw/zinc/40/62/93/806406293.db2.gz	WZLICGBEOAFWLH-JJPRUIFNSA-N	-1	0	286.175	3.488	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1sccc1C	ZINC000125561767	799002588	/nfs/dbraw/zinc/00/25/88/799002588.db2.gz	KMPGNLZWSOTEIL-LBPRGKRZSA-N	-1	0	292.404	3.076	20	30		CGEDRM
O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc([O-])c(F)c1	ZINC000255843784	799173221	/nfs/dbraw/zinc/17/32/21/799173221.db2.gz	JSWZJJIXOBMLLD-ALCCZGGFSA-N	-1	0	287.246	3.336	20	30		CGEDRM
CCCCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC000397026457	799513668	/nfs/dbraw/zinc/51/36/68/799513668.db2.gz	NDXWMJYALGWSLC-STQMWFEESA-N	-1	0	269.385	3.059	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000398931222	799532771	/nfs/dbraw/zinc/53/27/71/799532771.db2.gz	SRWNNBOAEFKIBN-ZIAGYGMSSA-N	-1	0	283.412	3.306	20	30		CGEDRM
COc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F	ZINC000588534361	799707213	/nfs/dbraw/zinc/70/72/13/799707213.db2.gz	BMUPLCZINGLZHC-UHFFFAOYSA-N	-1	0	290.250	3.199	20	30		CGEDRM
COc1cccc(OC)c1C=CC(=O)c1sccc1[O-]	ZINC000588561731	799711052	/nfs/dbraw/zinc/71/10/52/799711052.db2.gz	DBHCDQMIURGBHJ-SREVYHEPSA-N	-1	0	290.340	3.367	20	30		CGEDRM
N#Cc1ccccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000588618347	799722113	/nfs/dbraw/zinc/72/21/13/799722113.db2.gz	OEUKGZKHMISOGH-YFHOEESVSA-N	-1	0	277.279	3.153	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cc(F)c([O-])c(F)c3)cnc12	ZINC001244095605	803184274	/nfs/dbraw/zinc/18/42/74/803184274.db2.gz	BMHDOLSUNARDDS-UHFFFAOYSA-N	-1	0	271.226	3.085	20	30		CGEDRM
C=C(C)c1cncc(-c2cc(OC)cc(C(=O)[O-])c2)c1	ZINC001244176929	803226584	/nfs/dbraw/zinc/22/65/84/803226584.db2.gz	SUKAHTKFLSUDES-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
N#Cc1cc2nc(-c3ccc(CCC(=O)[O-])cc3)ccc2[nH]1	ZINC001244189148	803234427	/nfs/dbraw/zinc/23/44/27/803234427.db2.gz	ZXOOAQLEHSOLDN-UHFFFAOYSA-N	-1	0	291.310	3.119	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cccc(F)c1[O-]	ZINC001131970689	803363402	/nfs/dbraw/zinc/36/34/02/803363402.db2.gz	PNYLFNGDDHUUAY-UHFFFAOYSA-N	-1	0	265.328	3.254	20	30		CGEDRM
N#Cc1cc(-c2ccc(Cl)cc2[O-])nc(C2CC2)n1	ZINC001244469048	803385591	/nfs/dbraw/zinc/38/55/91/803385591.db2.gz	XZPUUTWXPYYEGH-UHFFFAOYSA-N	-1	0	271.707	3.252	20	30		CGEDRM
Cc1ccc(-c2cc(F)c([O-])c(Cl)c2)c(C#N)n1	ZINC001244502513	803408987	/nfs/dbraw/zinc/40/89/87/803408987.db2.gz	XCUXWIONZICTAH-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
COc1ccc(C#N)c(-c2c(Cl)ccc([O-])c2F)n1	ZINC001244541884	803429699	/nfs/dbraw/zinc/42/96/99/803429699.db2.gz	GUVUNLURWIAIAM-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
O=C([O-])c1cnc(F)c(-c2cccc(CS)c2)c1	ZINC001244762445	803522895	/nfs/dbraw/zinc/52/28/95/803522895.db2.gz	MJSPLOXACCNUNH-UHFFFAOYSA-N	-1	0	263.293	3.016	20	30		CGEDRM
CSc1ncc(C#N)c(-c2cc(C)c(C(=O)[O-])c(C)c2)n1	ZINC001244945387	803585770	/nfs/dbraw/zinc/58/57/70/803585770.db2.gz	HCPYHMNRDKSIPN-UHFFFAOYSA-N	-1	0	299.355	3.052	20	30		CGEDRM
N#Cc1ccnnc1-c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001245000743	803609294	/nfs/dbraw/zinc/60/92/94/803609294.db2.gz	RYJZXXUUKYOKST-UHFFFAOYSA-N	-1	0	294.097	3.020	20	30		CGEDRM
COc1c(F)c(F)ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001211898628	814953627	/nfs/dbraw/zinc/95/36/27/814953627.db2.gz	KXRBWWKRBGITLM-UHFFFAOYSA-N	-1	0	294.232	3.433	20	30		CGEDRM
O=C([O-])Cc1ccc(F)c(-c2ccc(/C=N/O)c(F)c2)c1	ZINC001245319700	803700678	/nfs/dbraw/zinc/70/06/78/803700678.db2.gz	SNMXYVXMZKARFB-QGMBQPNBSA-N	-1	0	291.253	3.067	20	30		CGEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])cc2Cl)n1	ZINC001245371955	803717452	/nfs/dbraw/zinc/71/74/52/803717452.db2.gz	DWUHFWXEVSBXNH-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])co1	ZINC001137572940	803741190	/nfs/dbraw/zinc/74/11/90/803741190.db2.gz	PXHNQZHZIGISDB-UHFFFAOYSA-N	-1	0	297.097	3.416	20	30		CGEDRM
C#Cc1cccnc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211958346	814961910	/nfs/dbraw/zinc/96/19/10/814961910.db2.gz	MHYYJCKVRZVVHI-UHFFFAOYSA-N	-1	0	272.691	3.158	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(-c3cccs3)cc2=O)c1	ZINC001245921531	804051449	/nfs/dbraw/zinc/05/14/49/804051449.db2.gz	SUDSLFATVLQMEH-UHFFFAOYSA-N	-1	0	267.313	3.178	20	30		CGEDRM
N#Cc1ccc(-c2cc(=O)n(Cc3ccccc3)[n-]2)cc1	ZINC001245937637	804070686	/nfs/dbraw/zinc/07/06/86/804070686.db2.gz	QOVPQGKKJRIMJQ-UHFFFAOYSA-N	-1	0	275.311	3.176	20	30		CGEDRM
N#Cc1ccccc1-n1[n-]c(-c2ccc(F)c(F)c2)cc1=O	ZINC001245945086	804078595	/nfs/dbraw/zinc/07/85/95/804078595.db2.gz	GXUCHZOARONBRD-UHFFFAOYSA-N	-1	0	297.264	3.395	20	30		CGEDRM
C[C@@]1(C(=O)Nc2cc(C#N)c(F)cc2[O-])CC=CCC1	ZINC001142545442	804735878	/nfs/dbraw/zinc/73/58/78/804735878.db2.gz	CAHGSPISDKWXLR-OAHLLOKOSA-N	-1	0	274.295	3.088	20	30		CGEDRM
C=CCCNC(=S)Nc1c([S-])cccc1Cl	ZINC001247656975	804793857	/nfs/dbraw/zinc/79/38/57/804793857.db2.gz	RSXGUMOPMYZGMB-UHFFFAOYSA-N	-1	0	272.826	3.491	20	30		CGEDRM
C#C[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)c1ccccc1	ZINC001143136699	804807373	/nfs/dbraw/zinc/80/73/73/804807373.db2.gz	RZAXYGSUCPDHNP-CQSZACIVSA-N	-1	0	285.730	3.150	20	30		CGEDRM
C=CCCCNC(=S)Nc1cccc(Cl)c1[O-]	ZINC001247743438	804813488	/nfs/dbraw/zinc/81/34/88/804813488.db2.gz	CCCPBZIVYVVUOQ-UHFFFAOYSA-N	-1	0	270.785	3.298	20	30		CGEDRM
CC(C)Oc1ccc(C(=O)Nc2ccc(O)c(C#N)c2)cc1	ZINC001148399724	805178792	/nfs/dbraw/zinc/17/87/92/805178792.db2.gz	KBJLRWDQQCXDSQ-UHFFFAOYSA-N	-1	0	296.326	3.303	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CCCC[C@@H]1C#N	ZINC001249697105	805217247	/nfs/dbraw/zinc/21/72/47/805217247.db2.gz	RCVBYRUJRMUWSJ-LLVKDONJSA-N	-1	0	291.445	3.483	20	30		CGEDRM
Cc1ccc2[nH]c(C(=O)Nc3ccc(O)c(C#N)c3)cc2c1	ZINC001149488475	805235213	/nfs/dbraw/zinc/23/52/13/805235213.db2.gz	PKLBJYFEDCBOGV-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cc([O-])c(F)c(F)c1F	ZINC001249962836	805330594	/nfs/dbraw/zinc/33/05/94/805330594.db2.gz	OGSSGLZKOPXGSR-UHFFFAOYSA-N	-1	0	289.216	3.296	20	30		CGEDRM
CCOc1ccc(C(=O)[O-])cc1Cc1ccccc1C#N	ZINC001250047098	805387116	/nfs/dbraw/zinc/38/71/16/805387116.db2.gz	AJZYYHJNXVQFOR-UHFFFAOYSA-N	-1	0	281.311	3.246	20	30		CGEDRM
Cc1cnc(Nc2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001212590329	815078760	/nfs/dbraw/zinc/07/87/60/815078760.db2.gz	HHPXUQPHNFDUJV-UHFFFAOYSA-N	-1	0	259.696	3.364	20	30		CGEDRM
N#Cc1cccc(C(=O)Cc2ccc(C=CC(=O)[O-])cc2)c1	ZINC001250289165	805544570	/nfs/dbraw/zinc/54/45/70/805544570.db2.gz	KDWRPDHVTOLLHA-CMDGGOBGSA-N	-1	0	291.306	3.081	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1csc(C#N)c1	ZINC001174676373	809127231	/nfs/dbraw/zinc/12/72/31/809127231.db2.gz	DRFLQYBDTBQGEL-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174807468	809166985	/nfs/dbraw/zinc/16/69/85/809166985.db2.gz	KNCHTDXEWKOUFZ-UHFFFAOYSA-N	-1	0	273.317	3.103	20	30		CGEDRM
COc1cccc(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001174995355	809231625	/nfs/dbraw/zinc/23/16/25/809231625.db2.gz	RSGBOJACMQTQMH-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175162002	809293542	/nfs/dbraw/zinc/29/35/42/809293542.db2.gz	UXZUMYURFSZCBX-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc(F)c(C(=O)[O-])c2)c(F)c1	ZINC001175220206	809313496	/nfs/dbraw/zinc/31/34/96/809313496.db2.gz	NDJQZGGFVAYUJS-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1C#N	ZINC001175223558	809315510	/nfs/dbraw/zinc/31/55/10/809315510.db2.gz	UJGGYIXYIXXCRW-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(C#N)cc(C#N)c1Nc1cccc(C(=O)[O-])c1	ZINC001175332350	809360077	/nfs/dbraw/zinc/36/00/77/809360077.db2.gz	QSJKMHPSWIKWPQ-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1c2c[nH]nc2ccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001175467578	809417441	/nfs/dbraw/zinc/41/74/41/809417441.db2.gz	CGZLHRIUNYEUQO-UHFFFAOYSA-N	-1	0	282.278	3.331	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213623345	815313000	/nfs/dbraw/zinc/31/30/00/815313000.db2.gz	HWKJHFAACIVUMY-UHFFFAOYSA-N	-1	0	272.329	3.381	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1	ZINC001176670084	809739537	/nfs/dbraw/zinc/73/95/37/809739537.db2.gz	QPMLROIUJGSDSA-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
Cc1cc(C#N)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176678063	809741090	/nfs/dbraw/zinc/74/10/90/809741090.db2.gz	KDHPNZVPVUZIKI-UHFFFAOYSA-N	-1	0	297.270	3.217	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(F)c1	ZINC001213629457	815313448	/nfs/dbraw/zinc/31/34/48/815313448.db2.gz	ABNRRZPRBSIQGA-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
Cc1nn(C)c2cc(Nc3cc(C#N)c(F)cc3[O-])ccc12	ZINC001213762597	815328792	/nfs/dbraw/zinc/32/87/92/815328792.db2.gz	YTZAQOSMZKUSGF-UHFFFAOYSA-N	-1	0	296.305	3.342	20	30		CGEDRM
CCCCN(O)C(=O)CCc1c[nH]c2cc(C)ccc12	ZINC001184314861	810190611	/nfs/dbraw/zinc/19/06/11/810190611.db2.gz	NRFWVGPXZWTQKW-UHFFFAOYSA-N	-1	0	274.364	3.427	20	30		CGEDRM
C[C@H]1CCC[C@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001184508453	810205796	/nfs/dbraw/zinc/20/57/96/810205796.db2.gz	HVVLYAVBKIWUCK-UWVGGRQHSA-N	-1	0	276.311	3.168	20	30		CGEDRM
C#CC1(NC(=O)c2cccc([S-])c2)CCCCC1	ZINC001186167389	810318321	/nfs/dbraw/zinc/31/83/21/810318321.db2.gz	OZTQGFFQVYLMQT-UHFFFAOYSA-N	-1	0	259.374	3.041	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1nocc1C	ZINC001187993485	810439671	/nfs/dbraw/zinc/43/96/71/810439671.db2.gz	YEXLCTAYSUONSJ-UHFFFAOYSA-N	-1	0	274.386	3.085	20	30		CGEDRM
CCCCCCCCS(=O)(=O)[N-]c1nc(C)co1	ZINC001187993163	810440112	/nfs/dbraw/zinc/44/01/12/810440112.db2.gz	LJWYVUBZUDKFDE-UHFFFAOYSA-N	-1	0	274.386	3.085	20	30		CGEDRM
CCCCCCCNC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001191106883	810676633	/nfs/dbraw/zinc/67/66/33/810676633.db2.gz	VFSMKYOPYWLMRA-UHFFFAOYSA-N	-1	0	293.342	3.495	20	30		CGEDRM
N#Cc1cc(C(=O)Nc2ccccc2C(F)F)ccc1[O-]	ZINC001193504389	810899489	/nfs/dbraw/zinc/89/94/89/810899489.db2.gz	CPLBDBXRJDBBLB-UHFFFAOYSA-N	-1	0	288.253	3.454	20	30		CGEDRM
N#Cc1cc(NC(=O)Oc2ccccc2)c([O-])cc1F	ZINC001194253257	811042623	/nfs/dbraw/zinc/04/26/23/811042623.db2.gz	DNNDRKKHJUVJCJ-UHFFFAOYSA-N	-1	0	272.235	3.014	20	30		CGEDRM
Cc1cc(CO)cc(C)c1Nc1scc([O-])c1C#N	ZINC001214949291	815467669	/nfs/dbraw/zinc/46/76/69/815467669.db2.gz	FUOWGBYWOAVXMJ-UHFFFAOYSA-N	-1	0	274.345	3.178	20	30		CGEDRM
N#Cc1cccc(Cl)c1Nc1cnc(F)c(C(=O)[O-])c1	ZINC001215111548	815483384	/nfs/dbraw/zinc/48/33/84/815483384.db2.gz	XLHHPJCUDSTFSX-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1c(F)ccc([N+](=O)[O-])c1F	ZINC001215289593	815503567	/nfs/dbraw/zinc/50/35/67/815503567.db2.gz	OQMSSNLESPBVOF-UHFFFAOYSA-N	-1	0	297.242	3.255	20	30		CGEDRM
C=CCNC(=O)Nc1ccc(Br)cc1[S-]	ZINC001202571332	812125644	/nfs/dbraw/zinc/12/56/44/812125644.db2.gz	GWBNNBLEXPAEII-UHFFFAOYSA-N	-1	0	287.182	3.045	20	30		CGEDRM
N#Cc1sccc1Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001215270322	815501821	/nfs/dbraw/zinc/50/18/21/815501821.db2.gz	UNVBAMGDHIEDAF-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1cccc(Nc2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001203293193	812295662	/nfs/dbraw/zinc/29/56/62/812295662.db2.gz	WHIGVHSLVLTONV-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cc(F)cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001215463763	815521798	/nfs/dbraw/zinc/52/17/98/815521798.db2.gz	NSIYRXIUMRZZAV-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
C[C@H](C#C[Si](C)(C)C)OCc1ccc(C(=O)[O-])cc1	ZINC001205680711	813050444	/nfs/dbraw/zinc/05/04/44/813050444.db2.gz	JHEXYDJGYJIUJV-GFCCVEGCSA-N	-1	0	276.408	3.171	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1F	ZINC001206051175	813182285	/nfs/dbraw/zinc/18/22/85/813182285.db2.gz	FIRRSWFNKSALKM-UHFFFAOYSA-N	-1	0	295.191	3.480	20	30		CGEDRM
O=C([O-])c1cc(-c2cc(/C=N/O)ccc2F)cs1	ZINC001206291098	813274263	/nfs/dbraw/zinc/27/42/63/813274263.db2.gz	HCAHOXGUVUJEKT-LHHJGKSTSA-N	-1	0	265.265	3.061	20	30		CGEDRM
N#Cc1cc2c(nc1-c1cc(F)c([O-])cc1F)CCCC2	ZINC001206767792	813430002	/nfs/dbraw/zinc/43/00/02/813430002.db2.gz	KCMXFSBWWRUHPY-UHFFFAOYSA-N	-1	0	286.281	3.483	20	30		CGEDRM
COc1cc(C#N)ccc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209888940	814189724	/nfs/dbraw/zinc/18/97/24/814189724.db2.gz	HLNHFRVNRSCBJR-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
C#Cc1cc(Nc2cccc(CC(=O)[O-])c2)ccc1F	ZINC001210072471	814274763	/nfs/dbraw/zinc/27/47/63/814274763.db2.gz	ZZALKESWSCLTFU-UHFFFAOYSA-N	-1	0	269.275	3.178	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1cccc(C)c1C#N	ZINC001210258383	814369827	/nfs/dbraw/zinc/36/98/27/814369827.db2.gz	NPZYKWHNJWBCTO-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
C#Cc1ccccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210399690	814445480	/nfs/dbraw/zinc/44/54/80/814445480.db2.gz	YUFXVSBAHHQLBP-UHFFFAOYSA-N	-1	0	254.245	3.025	20	30		CGEDRM
N#Cc1ccc(F)c(F)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210399784	814446541	/nfs/dbraw/zinc/44/65/41/814446541.db2.gz	UMNXZFUGLIHLKE-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cn1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)c1C#N	ZINC001210925908	814677544	/nfs/dbraw/zinc/67/75/44/814677544.db2.gz	DKHPFOCEVQMPCZ-UHFFFAOYSA-N	-1	0	283.118	3.048	20	30		CGEDRM
C#Cc1cc(Nc2ccccc2C(=O)[O-])ccc1F	ZINC001210967809	814695005	/nfs/dbraw/zinc/69/50/05/814695005.db2.gz	ZOZWELSWZRXJJE-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
N#Cc1c(F)ccc(Nc2ccccc2C(=O)[O-])c1F	ZINC001210968948	814696435	/nfs/dbraw/zinc/69/64/35/814696435.db2.gz	NNHSEPWRYXUUJR-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COc1c(Nc2c(F)cccc2C#N)cccc1C(=O)[O-]	ZINC001211036597	814714426	/nfs/dbraw/zinc/71/44/26/814714426.db2.gz	JREDEEDZYHRPJA-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1nsc(Nc2cc(C)cc(C(=O)[O-])c2)c1C#N	ZINC001211535230	814902978	/nfs/dbraw/zinc/90/29/78/814902978.db2.gz	VCVABCUXADSJCT-UHFFFAOYSA-N	-1	0	273.317	3.073	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)c(F)c2)cc(C(=O)[O-])c1	ZINC001211544459	814904698	/nfs/dbraw/zinc/90/46/98/814904698.db2.gz	AQXCIBNVFIVDJF-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cc(-c2cc(Cl)c([O-])c(Cl)c2)ncn1	ZINC001242849236	823152045	/nfs/dbraw/zinc/15/20/45/823152045.db2.gz	OCADSQYSHANEGR-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
COc1c(F)ccc(Nc2scc([O-])c2C#N)c1OC	ZINC001216391866	815810086	/nfs/dbraw/zinc/81/00/86/815810086.db2.gz	UGNCCEPUPDXHDX-UHFFFAOYSA-N	-1	0	294.307	3.225	20	30		CGEDRM
CC(C)(O)c1cc(F)cc(Nc2scc([O-])c2C#N)c1	ZINC001216489363	815841069	/nfs/dbraw/zinc/84/10/69/815841069.db2.gz	LHKKFAHEPBCKHM-UHFFFAOYSA-N	-1	0	292.335	3.435	20	30		CGEDRM
Cc1ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1	ZINC001216979634	815904294	/nfs/dbraw/zinc/90/42/94/815904294.db2.gz	FTQKRYJZKQBKKC-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
CC(C)c1ccc(C#N)c(-c2ccccc2C(=O)[O-])n1	ZINC001242877347	823161516	/nfs/dbraw/zinc/16/15/16/823161516.db2.gz	FVVXKCRRRDIINZ-UHFFFAOYSA-N	-1	0	266.300	3.442	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2c(F)cc(C(=O)[O-])cc2F)c1	ZINC001222407325	816436367	/nfs/dbraw/zinc/43/63/67/816436367.db2.gz	CNYSRTHFCVYPEC-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
[O-]/N=C(\O[C@@H]1COc2cnccc21)c1ccc(Cl)cc1	ZINC001223593747	816656017	/nfs/dbraw/zinc/65/60/17/816656017.db2.gz	NMIMBWSJYNJTKN-CLBVAXQTSA-N	-1	0	290.706	3.021	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCC[P@@](=O)([O-])O	ZINC001225019246	816933806	/nfs/dbraw/zinc/93/38/06/816933806.db2.gz	VFGVKAGHDJIYMM-IHRRRGAJSA-N	-1	0	290.340	3.342	20	30		CGEDRM
CC[C@@H](C#Cc1ccccc1)Oc1ccc2c(c1)OCC2=O	ZINC001225340120	817016827	/nfs/dbraw/zinc/01/68/27/817016827.db2.gz	DBMYOAUQKDYVPJ-HNNXBMFYSA-N	-1	0	292.334	3.471	20	30		CGEDRM
C=CC[C@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)C(C)C	ZINC001225978149	817236436	/nfs/dbraw/zinc/23/64/36/817236436.db2.gz	OJLLNJIEJJKJOQ-QMMMGPOBSA-N	-1	0	276.258	3.181	20	30		CGEDRM
CC(C)C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)C	ZINC001226008996	817247974	/nfs/dbraw/zinc/24/79/74/817247974.db2.gz	PMCREVAXCKHWAB-LBPRGKRZSA-N	-1	0	266.316	3.247	20	30		CGEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1nc(C)cc(=O)[n-]1	ZINC001226159354	817288581	/nfs/dbraw/zinc/28/85/81/817288581.db2.gz	KXHCMGWZGFOHTA-HNNXBMFYSA-N	-1	0	282.343	3.090	20	30		CGEDRM
C#C[C@@H]1CCC[C@@H]1Oc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC001226184198	817292538	/nfs/dbraw/zinc/29/25/38/817292538.db2.gz	BZHHYAITRIXDMN-OCCSQVGLSA-N	-1	0	280.327	3.030	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)CCc2ccccc2)c1C#N	ZINC001226222015	817301701	/nfs/dbraw/zinc/30/17/01/817301701.db2.gz	SDZMPAHEVSENAI-ZDUSSCGKSA-N	-1	0	282.343	3.367	20	30		CGEDRM
Cc1cccc2c1CC[C@H]2Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222239	817302057	/nfs/dbraw/zinc/30/20/57/817302057.db2.gz	WTHUMAZSKHNGHO-OAHLLOKOSA-N	-1	0	280.327	3.342	20	30		CGEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226223603	817302392	/nfs/dbraw/zinc/30/23/92/817302392.db2.gz	SEKJASCRKIPRAZ-OAHLLOKOSA-N	-1	0	292.338	3.176	20	30		CGEDRM
Cc1cccc2c1[C@H](Oc1[n-]c(=O)cc(C)c1C#N)CC2	ZINC001226221020	817302429	/nfs/dbraw/zinc/30/24/29/817302429.db2.gz	GIDVDEBUYUHBDX-CQSZACIVSA-N	-1	0	280.327	3.342	20	30		CGEDRM
Cc1ccc([C@@H](C)Oc2nccc(/C=N/O)n2)c(C)c1	ZINC001226256406	817312752	/nfs/dbraw/zinc/31/27/52/817312752.db2.gz	RLNJCSJBLHPXHP-UDPFGDFPSA-N	-1	0	271.320	3.042	20	30		CGEDRM
C[Si](C)(C)C#C[C@H](Oc1nccc(=O)[n-]1)c1ccccc1	ZINC001226324480	817329952	/nfs/dbraw/zinc/32/99/52/817329952.db2.gz	PGKJLMOGQVFCHL-AWEZNQCLSA-N	-1	0	298.418	3.183	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-c2ccnc3[nH]cc(C#N)c32)c1	ZINC001243176649	823274132	/nfs/dbraw/zinc/27/41/32/823274132.db2.gz	BLBSCOPENMZKQH-UHFFFAOYSA-N	-1	0	277.283	3.108	20	30		CGEDRM
C=CCOc1ccc(-c2cc(C)cc(C(=O)[O-])c2)nc1C#N	ZINC001243178481	823275412	/nfs/dbraw/zinc/27/54/12/823275412.db2.gz	JYOBGLSMYCBDQR-UHFFFAOYSA-N	-1	0	294.310	3.192	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1	ZINC001227807988	817725019	/nfs/dbraw/zinc/72/50/19/817725019.db2.gz	CMKRNQNDTJYIET-ZDUSSCGKSA-N	-1	0	281.315	3.360	20	30		CGEDRM
C#C[C@H](C)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228184033	817834064	/nfs/dbraw/zinc/83/40/64/817834064.db2.gz	PHTNTWUBDSNCAF-LBPRGKRZSA-N	-1	0	266.296	3.024	20	30		CGEDRM
O/N=C(/c1ccccc1)[C@H](Oc1ncc[nH]1)c1ccccc1	ZINC001228297432	817867303	/nfs/dbraw/zinc/86/73/03/817867303.db2.gz	KZDMEHQPNNXHOS-RUAUKMDKSA-N	-1	0	293.326	3.408	20	30		CGEDRM
COc1nc(C)c(-c2ccc(C(=O)[O-])c(C)c2)c(C)c1C#N	ZINC001243214412	823295635	/nfs/dbraw/zinc/29/56/35/823295635.db2.gz	IMXCUQFPFIRFEJ-UHFFFAOYSA-N	-1	0	296.326	3.252	20	30		CGEDRM
Cc1cc(-c2cccc(/C=N/O)c2)ccc1C(=O)[O-]	ZINC001243215068	823296515	/nfs/dbraw/zinc/29/65/15/823296515.db2.gz	KLUHPJZRNNUMMW-CXUHLZMHSA-N	-1	0	255.273	3.168	20	30		CGEDRM
[O-]/N=C/c1ccc(-c2ccc(O)c(F)c2F)cc1F	ZINC001243341462	823356129	/nfs/dbraw/zinc/35/61/29/823356129.db2.gz	QVHKYBTZJLSLKN-UBKPWBPPSA-N	-1	0	267.206	3.285	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C#N	ZINC001233915633	818729813	/nfs/dbraw/zinc/72/98/13/818729813.db2.gz	RMRGIPBPDSGHPL-JFGNBEQYSA-N	-1	0	260.337	3.171	20	30		CGEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)C	ZINC001234519521	818872139	/nfs/dbraw/zinc/87/21/39/818872139.db2.gz	IEWWROBJUWPXNK-AWEZNQCLSA-N	-1	0	283.331	3.187	20	30		CGEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530867	818875977	/nfs/dbraw/zinc/87/59/77/818875977.db2.gz	NHXZOYNHGFPBOC-ZDUSSCGKSA-N	-1	0	295.342	3.168	20	30		CGEDRM
Cc1ccc(C#N)c(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235075901	818995224	/nfs/dbraw/zinc/99/52/24/818995224.db2.gz	FPQHCUGZXVOEPO-WEVVVXLNSA-N	-1	0	264.284	3.027	20	30		CGEDRM
CN(C)/C=N/c1ccc(-c2ccc(C(=O)[O-])cc2)cc1C#N	ZINC001236064200	819295814	/nfs/dbraw/zinc/29/58/14/819295814.db2.gz	BOFKMRMDXGRGBT-YBFXNURJSA-N	-1	0	293.326	3.145	20	30		CGEDRM
Cc1c(Cl)c(-c2cnc(C#N)c(F)c2)ccc1C(=O)[O-]	ZINC001236121411	819328918	/nfs/dbraw/zinc/32/89/18/819328918.db2.gz	SGRYIFWPWVJQIL-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1nc(-c2ccc(Cl)c(C(=O)[O-])c2F)ccc1C#N	ZINC001236147217	819346397	/nfs/dbraw/zinc/34/63/97/819346397.db2.gz	CYDGXYUIKFOKPB-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1cc(C#N)cc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236151258	819347134	/nfs/dbraw/zinc/34/71/34/819347134.db2.gz	QSEUVPGYYSMENU-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1ccnc(C#N)c1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236178894	819357398	/nfs/dbraw/zinc/35/73/98/819357398.db2.gz	PWVCGDOUXBEGGN-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
Cc1ccc(F)c(-c2nc(C)c(C)cc2C#N)c1[O-]	ZINC001236394541	819448897	/nfs/dbraw/zinc/44/88/97/819448897.db2.gz	YRBRYJAQIYPUQX-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)CC1	ZINC001238152360	819942996	/nfs/dbraw/zinc/94/29/96/819942996.db2.gz	NQZMBQDYSKOCFE-JTQLQIEISA-N	-1	0	282.746	3.310	20	30		CGEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc(C(=O)[O-])cc1F	ZINC001239247244	820239723	/nfs/dbraw/zinc/23/97/23/820239723.db2.gz	PWTMYCSVIQGRFJ-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1cnc(-c2ccc(C(F)(F)F)cc2[O-])c(F)c1	ZINC001243605763	823464327	/nfs/dbraw/zinc/46/43/27/823464327.db2.gz	FKFKVUAWXGTDJD-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
Cc1nc(-c2cc(F)ccc2[O-])c(C#N)c(C)c1C	ZINC001240696731	821253686	/nfs/dbraw/zinc/25/36/86/821253686.db2.gz	WWEIWEYYYPMSRX-UHFFFAOYSA-N	-1	0	256.280	3.390	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(F)cc1CC#N	ZINC001240736700	821288842	/nfs/dbraw/zinc/28/88/42/821288842.db2.gz	HZYKPYGFVWPJBL-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1cc(-c2ccc(F)c(CC#N)c2)ccc1C(=O)[O-]	ZINC001240742768	821294467	/nfs/dbraw/zinc/29/44/67/821294467.db2.gz	AOSVZFRRJKKVJT-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1c2c(cnc1-c1ccc([O-])c(F)c1)CCCC2	ZINC001240786115	821327168	/nfs/dbraw/zinc/32/71/68/821327168.db2.gz	MHFXCSVNMRZPCV-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])s2)c(CC#N)c1	ZINC001240846952	821367795	/nfs/dbraw/zinc/36/77/95/821367795.db2.gz	FKQBEANHHLUIET-UHFFFAOYSA-N	-1	0	273.313	3.188	20	30		CGEDRM
N#CCc1cccc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240973793	821458110	/nfs/dbraw/zinc/45/81/10/821458110.db2.gz	RGGUKTSLPHNVGJ-UHFFFAOYSA-N	-1	0	251.285	3.047	20	30		CGEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])c(F)c3)nc2)CC1	ZINC001241183201	821620716	/nfs/dbraw/zinc/62/07/16/821620716.db2.gz	MPUZMXJQXWRLSS-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
N#CCc1ccc(F)cc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241185305	821622498	/nfs/dbraw/zinc/62/24/98/821622498.db2.gz	RABLYZOWJFDDTN-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
N#Cc1ccc2ncc(-c3ccc(F)c(C(=O)[O-])c3)nc2c1	ZINC001241242559	821663264	/nfs/dbraw/zinc/66/32/64/821663264.db2.gz	MGFAWZURKXMUJW-UHFFFAOYSA-N	-1	0	293.257	3.006	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C(=O)[O-])c(Cl)c3)cc12	ZINC001241350929	821753094	/nfs/dbraw/zinc/75/30/94/821753094.db2.gz	ZQMHHOXVJQEZCD-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
COc1ccc(CC#N)cc1-c1cccc(C(=O)[O-])c1	ZINC001241359505	821760567	/nfs/dbraw/zinc/76/05/67/821760567.db2.gz	JWGDYDIZZKRUMP-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cccc(C(=O)[O-])c2)c1F	ZINC001241360047	821760939	/nfs/dbraw/zinc/76/09/39/821760939.db2.gz	BNGNATUVLNKAIZ-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1c(-c2cccc(C(=O)[O-])c2)ccc2ncccc12	ZINC001241360593	821761851	/nfs/dbraw/zinc/76/18/51/821761851.db2.gz	GMZXKAGBGRETTK-UHFFFAOYSA-N	-1	0	274.279	3.472	20	30		CGEDRM
N#Cc1cnc(-c2cccc(CC(=O)[O-])c2)c2sccc21	ZINC001242262674	822929768	/nfs/dbraw/zinc/92/97/68/822929768.db2.gz	NECUNPKMMJIFOW-UHFFFAOYSA-N	-1	0	294.335	3.462	20	30		CGEDRM
N#CCCOc1ccc(-c2cccc(CC(=O)[O-])c2)cc1	ZINC001242263957	822930386	/nfs/dbraw/zinc/93/03/86/822930386.db2.gz	FGJFHEUXHODSDU-UHFFFAOYSA-N	-1	0	281.311	3.273	20	30		CGEDRM
C[Si](C)(C)C#Cc1ccc(-c2ccc(C(=O)[O-])nc2)nc1	ZINC001242333042	822953473	/nfs/dbraw/zinc/95/34/73/822953473.db2.gz	DTOQQQISRQJYFK-UHFFFAOYSA-N	-1	0	296.402	3.071	20	30		CGEDRM
Cc1cc(F)cc(-c2ccc([O-])c(C#N)c2)c1C#N	ZINC001242564824	823035087	/nfs/dbraw/zinc/03/50/87/823035087.db2.gz	WIJMAHUIFLSZRC-UHFFFAOYSA-N	-1	0	252.248	3.250	20	30		CGEDRM
CSc1ccc(C([O-])=C(C#N)c2cccc(F)n2)cc1	ZINC001344587450	936539531	/nfs/dbraw/zinc/53/95/31/936539531.db2.gz	QNMOSUSSBAOLKY-LBPRGKRZSA-N	-1	0	286.331	3.433	20	30		CGEDRM
COC1(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1	ZINC001346846199	936863623	/nfs/dbraw/zinc/86/36/23/936863623.db2.gz	KGOWQJXCZSMZLN-UHFFFAOYSA-N	-1	0	282.727	3.005	20	30		CGEDRM
N#Cc1cccc(-n2[n-]c(C3CCCCC3)cc2=O)c1	ZINC001348815521	936934840	/nfs/dbraw/zinc/93/48/40/936934840.db2.gz	VSTDNTOERGMGKB-UHFFFAOYSA-N	-1	0	267.332	3.231	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCC[C@H](F)C2)c1	ZINC001349372664	936947768	/nfs/dbraw/zinc/94/77/68/936947768.db2.gz	OETIMZOTPWEWDV-BHPMVAPWSA-N	-1	0	266.272	3.000	20	30		CGEDRM
C#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(C)C	ZINC001448615566	937376024	/nfs/dbraw/zinc/37/60/24/937376024.db2.gz	WAJXGQFRXIEORF-NSHDSACASA-N	-1	0	286.158	3.087	20	30		CGEDRM
C#C[C@H](CCC)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001448936080	937377146	/nfs/dbraw/zinc/37/71/46/937377146.db2.gz	OTMQFQLJMJUTNX-SECBINFHSA-N	-1	0	286.158	3.231	20	30		CGEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c([O-])c2)C1	ZINC001452993086	937399772	/nfs/dbraw/zinc/39/97/72/937399772.db2.gz	FYAJBKIOKSFTKK-LLVKDONJSA-N	-1	0	279.767	3.474	20	30		CGEDRM
C#C[C@@H](C)Oc1ccc2c(c1)oc1cc(O)ccc1c2=O	ZINC001229517786	932164806	/nfs/dbraw/zinc/16/48/06/932164806.db2.gz	QCODPHCRDZRUMY-SNVBAGLBSA-N	-1	0	280.279	3.052	20	30		CGEDRM
C#C[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21	ZINC001229797583	932485545	/nfs/dbraw/zinc/48/55/45/932485545.db2.gz	HKFZDXFSUASSCR-SNVBAGLBSA-N	-1	0	280.279	3.052	20	30		CGEDRM
C=C[C@@]1(C)CC[C@@H](Oc2nc[n-]c(=O)c2Cl)C(C)(C)O1	ZINC001230018083	932522735	/nfs/dbraw/zinc/52/27/35/932522735.db2.gz	MMBAKPYPWRMVIO-OTYXRUKQSA-N	-1	0	298.770	3.117	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230665672	932605722	/nfs/dbraw/zinc/60/57/22/932605722.db2.gz	HESKOJXAQWFZAD-CMPLNLGQSA-N	-1	0	294.310	3.262	20	30		CGEDRM
C#CC[C@@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231047705	932665869	/nfs/dbraw/zinc/66/58/69/932665869.db2.gz	BESRPIJWWSETMF-ZCFIWIBFSA-N	-1	0	270.119	3.055	20	30		CGEDRM
COc1cc(C)sc1C([O-])=C(C#N)c1cccc(F)n1	ZINC001516711664	938009408	/nfs/dbraw/zinc/00/94/08/938009408.db2.gz	XKOBVUDWMINKAS-VIFPVBQESA-N	-1	0	290.319	3.089	20	30		CGEDRM
N#Cc1cc(NC(=O)c2cccc(F)c2[O-])ccc1Cl	ZINC001523658309	938040631	/nfs/dbraw/zinc/04/06/31/938040631.db2.gz	KOMPYLZUTGYBLX-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
C#CC[C@H](NC(=O)c1cccc(F)c1[O-])c1ccccc1	ZINC001535925385	938103119	/nfs/dbraw/zinc/10/31/19/938103119.db2.gz	GWROULFXDKSZKI-HNNXBMFYSA-N	-1	0	283.302	3.026	20	30		CGEDRM
C=C1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1	ZINC001557456382	938209946	/nfs/dbraw/zinc/20/99/46/938209946.db2.gz	JZWFTVCTTJEXSI-UHFFFAOYSA-N	-1	0	273.719	3.211	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001557864569	938212278	/nfs/dbraw/zinc/21/22/78/938212278.db2.gz	GEIBWTMWFHMJOI-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
C=CCN(Cc1cccs1)C(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001602722671	971388262	/nfs/dbraw/zinc/38/82/62/971388262.db2.gz	FPMGXKSUWNPUGJ-GFCCVEGCSA-N	-1	0	295.404	3.010	20	30		CGEDRM
CCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000118609393	958464468	/nfs/dbraw/zinc/46/44/68/958464468.db2.gz	HKJWXBKUBCNFCW-STQMWFEESA-N	-1	0	269.385	3.059	20	30		CGEDRM
CCCCCCCCNC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000147252102	958996617	/nfs/dbraw/zinc/99/66/17/958996617.db2.gz	KYWMXRGSHYFJIQ-UHFFFAOYSA-N	-1	0	296.367	3.138	20	30		CGEDRM
C=CC(C)(C)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC001602805582	960548493	/nfs/dbraw/zinc/54/84/93/960548493.db2.gz	BXHOIKZDWNDQOX-UHFFFAOYSA-N	-1	0	268.696	3.156	20	30		CGEDRM
C=C(C)CN(CC)C(=O)Nc1sc(CC)cc1C(=O)[O-]	ZINC001602762201	960549908	/nfs/dbraw/zinc/54/99/08/960549908.db2.gz	XGDSOTRPZXMHNC-UHFFFAOYSA-N	-1	0	296.392	3.439	20	30		CGEDRM
Cc1cc(NC(=O)c2ccccc2CC#N)ccc1C(=O)[O-]	ZINC001574341218	962307039	/nfs/dbraw/zinc/30/70/39/962307039.db2.gz	IUUYLMAYOQMGHQ-UHFFFAOYSA-N	-1	0	294.310	3.012	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC001588537077	962764455	/nfs/dbraw/zinc/76/44/55/962764455.db2.gz	YBQRUPHNVNKUOK-SNVBAGLBSA-N	-1	0	280.295	3.169	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)CCCC1CCCCC1)C(=O)[O-]	ZINC001573322469	962771048	/nfs/dbraw/zinc/77/10/48/962771048.db2.gz	ZUVLFYYHZYEAFU-CQSZACIVSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C[C@H](NC(=O)c1ccc(C#N)c(O)c1)[C@H]1CC2CCC1CC2	ZINC001583397243	962799771	/nfs/dbraw/zinc/79/97/71/962799771.db2.gz	HVOOESIXSIWTDM-PIISCBOPSA-N	-1	0	298.386	3.208	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](Oc1ccccc1)c1ccccc1	ZINC001583408110	962801663	/nfs/dbraw/zinc/80/16/63/962801663.db2.gz	JXIRPDZGSGVOPR-PBHICJAKSA-N	-1	0	297.354	3.429	20	30		CGEDRM
C=CCC1(NC(=O)c2ccc(C(=O)[O-])cc2)CCCCC1	ZINC001573328686	962811364	/nfs/dbraw/zinc/81/13/64/962811364.db2.gz	MAAICHBVLWSKKL-UHFFFAOYSA-N	-1	0	287.359	3.394	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC001573336636	962860483	/nfs/dbraw/zinc/86/04/83/962860483.db2.gz	FFLPLOBVCFPRBT-UHFFFAOYSA-N	-1	0	275.348	3.344	20	30		CGEDRM
C=CCN(C(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1	ZINC001573360364	963036997	/nfs/dbraw/zinc/03/69/97/963036997.db2.gz	MNXOOSONYIDJRE-UHFFFAOYSA-N	-1	0	285.299	3.119	20	30		CGEDRM
C=CCCCCCCCNC(=O)c1ccnc(C(=O)[O-])c1	ZINC001573367124	963064781	/nfs/dbraw/zinc/06/47/81/963064781.db2.gz	RWLQRNJIFBITBD-UHFFFAOYSA-N	-1	0	290.363	3.036	20	30		CGEDRM
C#C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1	ZINC001588375699	963265805	/nfs/dbraw/zinc/26/58/05/963265805.db2.gz	GEUHADONSGBFDZ-SECBINFHSA-N	-1	0	292.747	3.281	20	30		CGEDRM
C#CC[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1F)C(C)(C)C	ZINC001588428647	963269257	/nfs/dbraw/zinc/26/92/57/963269257.db2.gz	WQGTZTHHWQBGBJ-CYBMUJFWSA-N	-1	0	292.306	3.119	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2csc(C(=O)[O-])c2)c1	ZINC001588522238	963278144	/nfs/dbraw/zinc/27/81/44/963278144.db2.gz	KVCQCUGQVLFNCF-UHFFFAOYSA-N	-1	0	271.341	3.064	20	30		CGEDRM
C=C(C)C[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC001588537220	963287798	/nfs/dbraw/zinc/28/77/98/963287798.db2.gz	ZQNIRSOKVVXHDM-VIFPVBQESA-N	-1	0	293.388	3.476	20	30		CGEDRM
C=C(CC)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1	ZINC001588605728	963291336	/nfs/dbraw/zinc/29/13/36/963291336.db2.gz	KNCPYQCLXGJKAD-CQSZACIVSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C[C@H](C(=O)[O-])[NH+]1Cc2ccccc2-c2ccccc2C1	ZINC001588669917	963296122	/nfs/dbraw/zinc/29/61/22/963296122.db2.gz	RONWORRPWPBSLS-QGZVFWFLSA-N	-1	0	279.339	3.308	20	30		CGEDRM
C=C[C@@H](C(=O)[O-])[NH+]1Cc2ccccc2-c2ccccc2C1	ZINC001588669915	963296999	/nfs/dbraw/zinc/29/69/99/963296999.db2.gz	RONWORRPWPBSLS-KRWDZBQOSA-N	-1	0	279.339	3.308	20	30		CGEDRM
C=CC(C)(C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588681015	963299044	/nfs/dbraw/zinc/29/90/44/963299044.db2.gz	LGHAYOCPGYYFJC-VURMDHGXSA-N	-1	0	276.292	3.069	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1c(F)c(OC)ccc1C(=O)[O-]	ZINC001588690694	963300134	/nfs/dbraw/zinc/30/01/34/963300134.db2.gz	IONHTEBNKDKZFG-VIFPVBQESA-N	-1	0	295.310	3.073	20	30		CGEDRM
C=C1CCC(C(=O)Oc2ccc(C(=O)[O-])c(OC)c2)CC1	ZINC001588650084	963301394	/nfs/dbraw/zinc/30/13/94/963301394.db2.gz	XAEFNJWYOZFVEG-UHFFFAOYSA-N	-1	0	290.315	3.045	20	30		CGEDRM
C=CC1(CC(=O)N(CCC)[C@@H](C)C(=O)[O-])CCCCC1	ZINC001588714458	963302575	/nfs/dbraw/zinc/30/25/75/963302575.db2.gz	GUCIADNRKQHHGI-ZDUSSCGKSA-N	-1	0	281.396	3.225	20	30		CGEDRM
C=C[C@H](Nc1ccc(OCCC)c(Cl)c1)C(=O)[O-]	ZINC001588702167	963303834	/nfs/dbraw/zinc/30/38/34/963303834.db2.gz	LIKDDPYTAMBMBC-NSHDSACASA-N	-1	0	269.728	3.180	20	30		CGEDRM
C=C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001588712355	963304648	/nfs/dbraw/zinc/30/46/48/963304648.db2.gz	KCZYKJSDSKOPDH-HNNXBMFYSA-N	-1	0	282.295	3.469	20	30		CGEDRM
C=CC1(CC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])CCCCC1	ZINC001588714863	963304735	/nfs/dbraw/zinc/30/47/35/963304735.db2.gz	PLUXHHPSEKAOEB-KBPBESRZSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=CC1(CC(=O)N[C@@](C)(CCC)C(=O)[O-])CCCCC1	ZINC001588719557	963305383	/nfs/dbraw/zinc/30/53/83/963305383.db2.gz	VOIBIMYEDJGVCG-HNNXBMFYSA-N	-1	0	281.396	3.273	20	30		CGEDRM
C=C[C@@H](S[C@H](C)c1cccc(OC)c1)C(=O)[O-]	ZINC001588714297	963305392	/nfs/dbraw/zinc/30/53/92/963305392.db2.gz	FHGSXMFYUAHOGX-BXKDBHETSA-N	-1	0	252.335	3.129	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1ccsc1C(=O)[O-]	ZINC001588778273	963317258	/nfs/dbraw/zinc/31/72/58/963317258.db2.gz	ZRVVFCPCLXVHIW-UHFFFAOYSA-N	-1	0	281.377	3.169	20	30		CGEDRM
C=CCC1(C(=O)OCc2ccc(F)cc2C(=O)[O-])CCC1	ZINC001588767075	963317657	/nfs/dbraw/zinc/31/76/57/963317657.db2.gz	HRSCWTBCHADYSY-UHFFFAOYSA-N	-1	0	292.306	3.314	20	30		CGEDRM
C=CCCC[C@@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC001588784688	963317727	/nfs/dbraw/zinc/31/77/27/963317727.db2.gz	ACBIDMKYHBKINU-JQFNYASXSA-N	-1	0	298.342	3.169	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001588799942	963320881	/nfs/dbraw/zinc/32/08/81/963320881.db2.gz	RBXRDVAXVZZHKO-LUAWRHEFSA-N	-1	0	291.347	3.196	20	30		CGEDRM
C=CCCCN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001588801268	963321474	/nfs/dbraw/zinc/32/14/74/963321474.db2.gz	FONMOWSWEZJJLZ-UHFFFAOYSA-N	-1	0	294.326	3.262	20	30		CGEDRM
C=CCN(C(=O)Nc1c(C)sc(C)c1C(=O)[O-])C(C)C	ZINC001588820658	963322786	/nfs/dbraw/zinc/32/27/86/963322786.db2.gz	NFYZSAJUUMXSAU-UHFFFAOYSA-N	-1	0	296.392	3.491	20	30		CGEDRM
C[C@@H](CCC#N)CNc1cccc(CCC(=O)[O-])c1	ZINC001589012050	963337147	/nfs/dbraw/zinc/33/71/47/963337147.db2.gz	CQISHXRWVCLMRJ-LBPRGKRZSA-N	-1	0	260.337	3.056	20	30		CGEDRM
C[C@H](Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)[O-]	ZINC001589135690	963347048	/nfs/dbraw/zinc/34/70/48/963347048.db2.gz	CIGBFCYXKGQOJS-NSHDSACASA-N	-1	0	282.299	3.236	20	30		CGEDRM
Cc1nc(Oc2cccc(C(=O)[O-])c2)c(Cl)cc1C#N	ZINC000313132165	963619916	/nfs/dbraw/zinc/61/99/16/963619916.db2.gz	QIHCJVDHRKAKJN-UHFFFAOYSA-N	-1	0	288.690	3.406	20	30		CGEDRM
C#CCCCC(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC001588440383	964036807	/nfs/dbraw/zinc/03/68/07/964036807.db2.gz	SDQOZSWKSXLNMF-UHFFFAOYSA-N	-1	0	277.345	3.066	20	30		CGEDRM
CC(CC(C)(C)CC(=O)[O-])=NNC1CCC(F)(F)CC1	ZINC001592443979	978100427	/nfs/dbraw/zinc/10/04/27/978100427.db2.gz	HGZVUTYKNKOMIW-UHFFFAOYSA-N	-1	0	290.354	3.421	20	30		CGEDRM
CC(C[C@H]1CCOC1)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001592464464	978198899	/nfs/dbraw/zinc/19/88/99/978198899.db2.gz	RYCJEARFPZQGJN-SNVBAGLBSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CCCCCCCCCN(C)c1ccnc(C(=O)[O-])n1	ZINC001595704638	982277660	/nfs/dbraw/zinc/27/76/60/982277660.db2.gz	FKHZYQVQSLBSFH-UHFFFAOYSA-N	-1	0	279.384	3.362	20	30		CGEDRM
CC(C)(CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1	ZINC001590774505	990578819	/nfs/dbraw/zinc/57/88/19/990578819.db2.gz	WNNHQYFQVZAVJY-UHFFFAOYSA-N	-1	0	295.342	3.041	20	30		CGEDRM
CN(CC(C)(C)C#N)[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC001598419759	991754472	/nfs/dbraw/zinc/75/44/72/991754472.db2.gz	NEGYETMLUQJHLO-LBPRGKRZSA-N	-1	0	298.745	3.086	20	30		CGEDRM
CC(C)CCCSc1ccc(C(=O)[O-])nc1C#N	ZINC001591238469	992122082	/nfs/dbraw/zinc/12/20/82/992122082.db2.gz	AIBKOBVWOGPTRI-UHFFFAOYSA-N	-1	0	264.350	3.180	20	30		CGEDRM
C[C@H](SCc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC001593661671	996039551	/nfs/dbraw/zinc/03/95/51/996039551.db2.gz	KSGLCVWTMDAYMU-ZETCQYMHSA-N	-1	0	289.278	3.283	20	30		CGEDRM
CC1(C)CN(c2ccc(C(=O)[O-])nc2C#N)c2ccccc21	ZINC001593946441	996995603	/nfs/dbraw/zinc/99/56/03/996995603.db2.gz	FKYGNWWRIUZGNW-UHFFFAOYSA-N	-1	0	293.326	3.081	20	30		CGEDRM
COc1cc(C)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001599394900	997108014	/nfs/dbraw/zinc/10/80/14/997108014.db2.gz	ZFUGOCLHBCCZEN-QPJJXVBHSA-N	-1	0	286.283	3.191	20	30		CGEDRM
C[C@H]1c2ccccc2C(=O)/C1=C\c1ccoc1C(=O)[O-]	ZINC001594120567	998271944	/nfs/dbraw/zinc/27/19/44/998271944.db2.gz	PFMHJQUTFFDBRA-LMRAXHDRSA-N	-1	0	268.268	3.361	20	30		CGEDRM
Cc1nsc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1C#N	ZINC000593326623	347063703	/nfs/dbraw/zinc/06/37/03/347063703.db2.gz	IEWDJHZNGSQTJL-WCQYABFASA-N	-1	0	299.355	3.048	20	30		CGEDRM
C=C(C)CNc1cc(Br)cc(C(=O)[O-])c1	ZINC000227681303	346310722	/nfs/dbraw/zinc/31/07/22/346310722.db2.gz	HEKRCNQLSHSIQJ-UHFFFAOYSA-N	-1	0	270.126	3.135	20	30		CGEDRM
CC(=O)Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000254644213	346395702	/nfs/dbraw/zinc/39/57/02/346395702.db2.gz	GUDJWVZERFHBAL-UHFFFAOYSA-N	-1	0	299.286	3.009	20	30		CGEDRM
COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000254522690	346395938	/nfs/dbraw/zinc/39/59/38/346395938.db2.gz	FFIJBDXQAMJUKD-UHFFFAOYSA-N	-1	0	272.260	3.060	20	30		CGEDRM
CC(C)(C)c1[n-]n(CC2CC=CC2)c(=O)c1CCC#N	ZINC000596259881	347406089	/nfs/dbraw/zinc/40/60/89/347406089.db2.gz	CNQKXGJODRVRGZ-UHFFFAOYSA-N	-1	0	273.380	3.309	20	30		CGEDRM
N#Cc1cccc(Cl)c1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000595975241	347373406	/nfs/dbraw/zinc/37/34/06/347373406.db2.gz	OXUWBQIOJHXZFM-NSHDSACASA-N	-1	0	292.766	3.293	20	30		CGEDRM
CCC(C)(C)c1n[n-]c(=N[C@H](C)c2cccc(C#N)c2)o1	ZINC000603299720	348069038	/nfs/dbraw/zinc/06/90/38/348069038.db2.gz	KLHDGNXQODWMII-LLVKDONJSA-N	-1	0	284.363	3.224	20	30		CGEDRM
C=CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1	ZINC000630287773	350820773	/nfs/dbraw/zinc/82/07/73/350820773.db2.gz	AHXGDLBIZXOEDW-HDJSIYSDSA-N	-1	0	287.359	3.097	20	30		CGEDRM
C=CCCC(C)(C)CNC(=O)c1cccc(CC(=O)[O-])c1	ZINC000630314843	350823146	/nfs/dbraw/zinc/82/31/46/350823146.db2.gz	VYYSFJCCAVATLC-UHFFFAOYSA-N	-1	0	289.375	3.036	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)CC/C=C/c1ccccc1)C(=O)[O-]	ZINC000630324615	350823793	/nfs/dbraw/zinc/82/37/93/350823793.db2.gz	GBBQBJAPEWDTPV-WGPYJDKQSA-N	-1	0	287.359	3.016	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634914985	351604308	/nfs/dbraw/zinc/60/43/08/351604308.db2.gz	KCNSFBXAZMESMM-DZGCQCFKSA-N	-1	0	289.375	3.106	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cc(F)cc(F)c2)n1	ZINC000041521416	369189174	/nfs/dbraw/zinc/18/91/74/369189174.db2.gz	WOEUDSNICVIAGY-NSHDSACASA-N	-1	0	278.283	3.220	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1F	ZINC000041519037	369189624	/nfs/dbraw/zinc/18/96/24/369189624.db2.gz	DDIKWPFNRRHYJX-JTQLQIEISA-N	-1	0	290.319	3.089	20	30		CGEDRM
CCC(CC)(CC(=O)Nc1cc(C#N)ccc1C)C(=O)[O-]	ZINC000050212792	369433794	/nfs/dbraw/zinc/43/37/94/369433794.db2.gz	HSQUTDUUZOVOAK-UHFFFAOYSA-N	-1	0	288.347	3.086	20	30		CGEDRM
COc1ccc(F)cc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000073974770	369868601	/nfs/dbraw/zinc/86/86/01/369868601.db2.gz	LKPPSRIOCLCMTK-NSHDSACASA-N	-1	0	290.319	3.089	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cncc3ccccc32)n1	ZINC000153361203	371766038	/nfs/dbraw/zinc/76/60/38/371766038.db2.gz	BHWHRAOVSMBREZ-ZDUSSCGKSA-N	-1	0	293.351	3.490	20	30		CGEDRM
CCc1ncsc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000178958207	373821171	/nfs/dbraw/zinc/82/11/71/373821171.db2.gz	OFZMWYOZSYYWFG-SECBINFHSA-N	-1	0	297.339	3.337	20	30		CGEDRM
C#CCCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000180390812	373997018	/nfs/dbraw/zinc/99/70/18/373997018.db2.gz	VYNIAQSDWRAXJG-UHFFFAOYSA-N	-1	0	274.345	3.249	20	30		CGEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000187290302	374998237	/nfs/dbraw/zinc/99/82/37/374998237.db2.gz	ZKMUGYDLRMMXEQ-LLVKDONJSA-N	-1	0	266.256	3.219	20	30		CGEDRM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000230333559	376506246	/nfs/dbraw/zinc/50/62/46/376506246.db2.gz	FGMMXZKFWHKTNZ-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
C=CCC[C@H](NC(=O)CC/C=C\c1ccccc1)C(=O)[O-]	ZINC000562517082	377321799	/nfs/dbraw/zinc/32/17/99/377321799.db2.gz	UNDVYAHXRDDEKT-QARUFBMTSA-N	-1	0	287.359	3.016	20	30		CGEDRM
CCC[C@H](CC(C)C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410544653	380104210	/nfs/dbraw/zinc/10/42/10/380104210.db2.gz	WMLTVROOJWHSLH-CYBMUJFWSA-N	-1	0	290.411	3.158	20	30		CGEDRM
N#C[C@H](C(=O)c1ccc2ccccc2c1)c1ccncn1	ZINC000354459694	380448404	/nfs/dbraw/zinc/44/84/04/380448404.db2.gz	FFDBXFHIERZMHA-HNNXBMFYSA-N	-1	0	273.295	3.120	20	30		CGEDRM
N#Cc1cc(NC2CCC(C(=O)[O-])CC2)nc2ccccc12	ZINC000316385334	392669368	/nfs/dbraw/zinc/66/93/68/392669368.db2.gz	XKNSQLLYWSTYJQ-UHFFFAOYSA-N	-1	0	295.342	3.162	20	30		CGEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc([O-])c(Cl)c1	ZINC000178768879	392683766	/nfs/dbraw/zinc/68/37/66/392683766.db2.gz	OJFSCDHDGTXGBS-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
C=CC[C@H](CC)NC(=O)c1cnc2ccccc2c1O	ZINC000281855536	393358437	/nfs/dbraw/zinc/35/84/37/393358437.db2.gz	YKALMZCUSGSYCF-NSHDSACASA-N	-1	0	270.332	3.025	20	30		CGEDRM
C=C(C)CN(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000649393853	393411117	/nfs/dbraw/zinc/41/11/17/393411117.db2.gz	SAZLPBOBVBADLS-UHFFFAOYSA-N	-1	0	291.376	3.019	20	30		CGEDRM
N#CC(=C([O-])c1ccccc1)c1nc2ccccc2o1	ZINC000041546165	397612020	/nfs/dbraw/zinc/61/20/20/397612020.db2.gz	ZLUPIUIQYRVLNL-LBPRGKRZSA-N	-1	0	262.268	3.318	20	30		CGEDRM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc2ccccc2o1	ZINC000683901804	543952620	/nfs/dbraw/zinc/95/26/20/543952620.db2.gz	DIWYAKFSJAZNHL-SNVBAGLBSA-N	-1	0	293.282	3.183	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000685019232	544052541	/nfs/dbraw/zinc/05/25/41/544052541.db2.gz	SDWXVRVCQROTPG-SNVBAGLBSA-N	-1	0	261.321	3.234	20	30		CGEDRM
COCc1csc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000659010329	418956326	/nfs/dbraw/zinc/95/63/26/418956326.db2.gz	KYKWYGBMYURSNM-JTQLQIEISA-N	-1	0	292.385	3.150	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCCCCC(=O)[O-]	ZINC000659406922	418983489	/nfs/dbraw/zinc/98/34/89/418983489.db2.gz	SUIOONXMYGCMQI-ZIAGYGMSSA-N	-1	0	296.411	3.066	20	30		CGEDRM
N#CC(=C([O-])c1cscn1)c1ccc(C(F)(F)F)cn1	ZINC000103329434	261280474	/nfs/dbraw/zinc/28/04/74/261280474.db2.gz	YPSQVCQPEVBRQF-QMMMGPOBSA-N	-1	0	297.261	3.047	20	30		CGEDRM
CC1(C#N)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000297461703	263205167	/nfs/dbraw/zinc/20/51/67/263205167.db2.gz	QEMDVNJSGBERRS-UHFFFAOYSA-N	-1	0	271.147	3.044	20	30		CGEDRM
C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330780779	264035712	/nfs/dbraw/zinc/03/57/12/264035712.db2.gz	NZEYOIXSXARRQV-NXEZZACHSA-N	-1	0	292.335	3.430	20	30		CGEDRM
CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c(O)c1	ZINC000331227239	264150675	/nfs/dbraw/zinc/15/06/75/264150675.db2.gz	DKTGTLZDLJLYSE-TZMCWYRMSA-N	-1	0	291.391	3.371	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000293505835	264965993	/nfs/dbraw/zinc/96/59/93/264965993.db2.gz	PDIWEZXMQSEJHO-UHFFFAOYSA-N	-1	0	261.321	3.136	20	30		CGEDRM
C=CCCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1	ZINC000368889811	267211707	/nfs/dbraw/zinc/21/17/07/267211707.db2.gz	RNLPPMPSKIZAJG-UHFFFAOYSA-N	-1	0	287.359	3.057	20	30		CGEDRM
Cc1cc(NC(=O)C2(C#N)CCCC2)cc(C(=O)[O-])c1C	ZINC000345868936	301346259	/nfs/dbraw/zinc/34/62/59/301346259.db2.gz	PXPGKIZOJMIMQZ-UHFFFAOYSA-N	-1	0	286.331	3.024	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccc([C@@H]2C[C@H]2C)o1	ZINC000049418010	328361506	/nfs/dbraw/zinc/36/15/06/328361506.db2.gz	MGYMUTSDVYFZJW-NPNFKUNOSA-N	-1	0	297.376	3.111	20	30		CGEDRM
C=CCn1c([C@@H](C)CC)n[n-]c1=Nc1cccc(OC)c1	ZINC000558452870	327095460	/nfs/dbraw/zinc/09/54/60/327095460.db2.gz	UGTULUSEXINEAC-LBPRGKRZSA-N	-1	0	286.379	3.152	20	30		CGEDRM
CC(C)(C)c1[n-]n(CC2(C#N)CCC2)c(=O)c1CCC#N	ZINC000418893681	329681129	/nfs/dbraw/zinc/68/11/29/329681129.db2.gz	AAHNEJMUNMSHPT-UHFFFAOYSA-N	-1	0	286.379	3.036	20	30		CGEDRM
C=CCC[C@H](NC(=O)[C@@H](C)CC1CCCCC1)C(=O)[O-]	ZINC000262834875	330034917	/nfs/dbraw/zinc/03/49/17/330034917.db2.gz	GHHVPTHSNPSHRQ-JSGCOSHPSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000448997776	330890510	/nfs/dbraw/zinc/89/05/10/330890510.db2.gz	GWCAYGXLRKTFPH-OCCSQVGLSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCC1(CN=c2[n-]c([C@H](C)OC)ns2)CCCC1	ZINC000450841902	331002278	/nfs/dbraw/zinc/00/22/78/331002278.db2.gz	DTNAJIMXQFFSPQ-NSHDSACASA-N	-1	0	281.425	3.216	20	30		CGEDRM
C=CC[C@@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1	ZINC000489048485	332039435	/nfs/dbraw/zinc/03/94/35/332039435.db2.gz	UKZYIROZSOAKGW-OAHLLOKOSA-N	-1	0	293.370	3.074	20	30		CGEDRM
Cc1ncccc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000492259520	332389533	/nfs/dbraw/zinc/38/95/33/332389533.db2.gz	POVWDUMJFDXAGQ-GFCCVEGCSA-N	-1	0	293.351	3.490	20	30		CGEDRM
C=CCN(Cc1ccccc1)C(=O)c1cccc(OC)c1O	ZINC000078382815	334132418	/nfs/dbraw/zinc/13/24/18/334132418.db2.gz	UAILVOWHPHBXPR-UHFFFAOYSA-N	-1	0	297.354	3.229	20	30		CGEDRM
CSc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000193610093	335978488	/nfs/dbraw/zinc/97/84/88/335978488.db2.gz	WTSVKIIIMGUYKH-CSKARUKUSA-N	-1	0	297.383	3.232	20	30		CGEDRM
C=CCCCCCSc1n[n-]c(=NCC)s1	ZINC000381698522	336071012	/nfs/dbraw/zinc/07/10/12/336071012.db2.gz	HZCKYONNVXJRGC-UHFFFAOYSA-N	-1	0	257.428	3.230	20	30		CGEDRM
N#Cc1c(Cl)cccc1NCCCCCC(=O)[O-]	ZINC000052903056	526518934	/nfs/dbraw/zinc/51/89/34/526518934.db2.gz	MGMPZYLMRFVPHY-UHFFFAOYSA-N	-1	0	266.728	3.269	20	30		CGEDRM
CC(C)c1ccsc1C([O-])=C(C#N)c1ccncn1	ZINC000354481140	528212364	/nfs/dbraw/zinc/21/23/64/528212364.db2.gz	XVOHICFDBBZQHO-LLVKDONJSA-N	-1	0	271.345	3.152	20	30		CGEDRM
CCCc1cc(C([O-])=C(C#N)c2ccncn2)sc1C	ZINC000354464690	528599590	/nfs/dbraw/zinc/59/95/90/528599590.db2.gz	JCSZUFBAVOIRSD-GFCCVEGCSA-N	-1	0	285.372	3.289	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1O	ZINC000727779723	571768949	/nfs/dbraw/zinc/76/89/49/571768949.db2.gz	RMBMATWLDCQZLV-UHFFFAOYSA-N	-1	0	288.278	3.066	20	30		CGEDRM
C=C(C)CN(C)Cc1ccc(C(=O)[O-])cc1Br	ZINC000382506902	572344555	/nfs/dbraw/zinc/34/45/55/572344555.db2.gz	YIEUCOOEDXJTDH-UHFFFAOYSA-N	-1	0	298.180	3.155	20	30		CGEDRM
O=C([O-])Cc1cccc(N=Cc2cc(Cl)ccc2O)c1	ZINC000738619773	572383283	/nfs/dbraw/zinc/38/32/83/572383283.db2.gz	AVKFEHXWKPFPFP-UHFFFAOYSA-N	-1	0	289.718	3.423	20	30		CGEDRM
Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)CO2	ZINC000738669169	572386867	/nfs/dbraw/zinc/38/68/67/572386867.db2.gz	BGDQEVKAUPISTH-XFFZJAGNSA-N	-1	0	298.294	3.253	20	30		CGEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1F	ZINC000731486327	572414057	/nfs/dbraw/zinc/41/40/57/572414057.db2.gz	UMAKYNNZFAKSOF-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
O=C([O-])c1coc(CON=Cc2ccc(Cl)cc2)c1	ZINC000740268639	572438465	/nfs/dbraw/zinc/43/84/65/572438465.db2.gz	BWFFVSOFAMXWRE-UHFFFAOYSA-N	-1	0	279.679	3.182	20	30		CGEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cccc(Cl)c1	ZINC000740620634	572448844	/nfs/dbraw/zinc/44/88/44/572448844.db2.gz	ROPILXFGIBEVHA-VIFPVBQESA-N	-1	0	281.743	3.176	20	30		CGEDRM
C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-]	ZINC000737696738	572568111	/nfs/dbraw/zinc/56/81/11/572568111.db2.gz	VCYMXMXCMKAJQP-NSHDSACASA-N	-1	0	282.299	3.236	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1sc(C)nc1C	ZINC000726737396	572594862	/nfs/dbraw/zinc/59/48/62/572594862.db2.gz	FMDHDLJCVUJPBN-UHFFFAOYSA-N	-1	0	289.360	3.294	20	30		CGEDRM
Cc1ccc(F)c(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000734977025	572693814	/nfs/dbraw/zinc/69/38/14/572693814.db2.gz	ZNJAPTFYHQCGAT-UHFFFAOYSA-N	-1	0	272.279	3.278	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC2Cc3ccccc3C2)c1	ZINC000735228812	572707154	/nfs/dbraw/zinc/70/71/54/572707154.db2.gz	IRRLLKRLKCKFSV-WQRHYEAKSA-N	-1	0	296.326	3.134	20	30		CGEDRM
C=CCOc1cccc(N[C@@H](C(=O)[O-])c2ccccc2)c1	ZINC000736114478	572768741	/nfs/dbraw/zinc/76/87/41/572768741.db2.gz	SYMFNPOQELWAPA-MRXNPFEDSA-N	-1	0	283.327	3.489	20	30		CGEDRM
COc1ccc(O)c(C=Nc2cc(C#N)ccc2OC)c1	ZINC000747362099	572926756	/nfs/dbraw/zinc/92/67/56/572926756.db2.gz	MRNUSYNUCNTXRU-UHFFFAOYSA-N	-1	0	282.299	3.032	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1	ZINC000748005519	572957374	/nfs/dbraw/zinc/95/73/74/572957374.db2.gz	RGZRJLXSSNXXST-UONOGXRCSA-N	-1	0	296.301	3.145	20	30		CGEDRM
CC(=NNC1C[C@H](C)O[C@@H](C)C1)[C@@H](C)CCCCC(=O)[O-]	ZINC000901304270	620851472	/nfs/dbraw/zinc/85/14/72/620851472.db2.gz	RUPCKDRNYVNCPS-AVGNSLFASA-N	-1	0	298.427	3.189	20	30		CGEDRM
C=CCCCOc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC000217221811	600378724	/nfs/dbraw/zinc/37/87/24/600378724.db2.gz	WYSPMNQUBDWWNI-CLFYSBASSA-N	-1	0	262.305	3.138	20	30		CGEDRM
COc1ccc([C@H](CC(=O)[O-])/N=C\c2ccccc2O)cc1	ZINC000737947280	600494358	/nfs/dbraw/zinc/49/43/58/600494358.db2.gz	HPBCWLKDJYEQGH-GZQZNAIASA-N	-1	0	299.326	3.036	20	30		CGEDRM
N#Cc1ccc2c(c1)CC/C(=C/c1ccc(C(=O)[O-])o1)C2=O	ZINC000833073623	600830214	/nfs/dbraw/zinc/83/02/14/600830214.db2.gz	FTIDMXNZOLVZBO-WQLSENKSSA-N	-1	0	293.278	3.062	20	30		CGEDRM
CCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000830104691	601301659	/nfs/dbraw/zinc/30/16/59/601301659.db2.gz	MUTBZDPUXZPBTM-MRXNPFEDSA-N	-1	0	296.326	3.195	20	30		CGEDRM
Cc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F	ZINC000832897125	601304243	/nfs/dbraw/zinc/30/42/43/601304243.db2.gz	LKYOOVGTLYQSLZ-OAHLLOKOSA-N	-1	0	284.290	3.244	20	30		CGEDRM
CCCCC[C@H](/N=C/c1cc(OCC)ccc1O)C(=O)[O-]	ZINC000829311688	601365234	/nfs/dbraw/zinc/36/52/34/601365234.db2.gz	IOWWZLGUARAITB-MPMPPSQCSA-N	-1	0	293.363	3.243	20	30		CGEDRM
CCCCC[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000829312665	601365687	/nfs/dbraw/zinc/36/56/87/601365687.db2.gz	YGHBNAIEFFNMFH-RGZVIEDOSA-N	-1	0	283.755	3.498	20	30		CGEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)[nH]1	ZINC000833093799	601444874	/nfs/dbraw/zinc/44/48/74/601444874.db2.gz	BJRNBXZCYXHZNC-SOFGYWHQSA-N	-1	0	275.691	3.262	20	30		CGEDRM
C=CCN(Cc1ccc(C(=O)[O-])c(F)c1)CC(F)(F)F	ZINC000688898247	601636145	/nfs/dbraw/zinc/63/61/45/601636145.db2.gz	YIDOKAWBHLNYPE-UHFFFAOYSA-N	-1	0	291.244	3.074	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2cc(Cl)ccc2Cl)c[nH]1	ZINC000814860289	601797757	/nfs/dbraw/zinc/79/77/57/601797757.db2.gz	FXZQYHMNDNLSHO-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
Cc1ccc2c(c1)OCC/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832961125	601952103	/nfs/dbraw/zinc/95/21/03/601952103.db2.gz	VLRLIYUGOGEGGU-KPKJPENVSA-N	-1	0	297.310	3.070	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC000825659755	602103253	/nfs/dbraw/zinc/10/32/53/602103253.db2.gz	CWOOTXXTIJRYKU-UHFFFAOYSA-N	-1	0	299.370	3.432	20	30		CGEDRM
C#CCCc1cc(=O)n([C@@H](Cc2ccccc2)C(C)C)[n-]1	ZINC000899356392	620656545	/nfs/dbraw/zinc/65/65/45/620656545.db2.gz	XYCNRXRGQGDMQR-KRWDZBQOSA-N	-1	0	282.387	3.255	20	30		CGEDRM
Cc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1CCC#N	ZINC000899361659	620667750	/nfs/dbraw/zinc/66/77/50/620667750.db2.gz	AROLTHGHQFAACK-LLVKDONJSA-N	-1	0	275.739	3.291	20	30		CGEDRM
Cc1[n-]n(-c2cc(Cl)ccc2C)c(=O)c1CCC#N	ZINC000899362638	620670122	/nfs/dbraw/zinc/67/01/22/620670122.db2.gz	YXGGVLLVWNIEMT-GFCCVEGCSA-N	-1	0	275.739	3.291	20	30		CGEDRM
COc1ccc(C(=O)/C=C/c2ccnn2C2CCC2)c([O-])c1	ZINC000899362043	620670167	/nfs/dbraw/zinc/67/01/67/620670167.db2.gz	IIVIUPORQZIPKJ-VMPITWQZSA-N	-1	0	298.342	3.218	20	30		CGEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)[O-])cc1)OCC	ZINC000833367822	604543374	/nfs/dbraw/zinc/54/33/74/604543374.db2.gz	WHBPDSOAHJXSFU-ZDUSSCGKSA-N	-1	0	292.335	3.086	20	30		CGEDRM
CC(C)(C#N)c1ccccc1COc1cccnc1C(=O)[O-]	ZINC000833413820	604548691	/nfs/dbraw/zinc/54/86/91/604548691.db2.gz	RXRJOBROULYESZ-UHFFFAOYSA-N	-1	0	296.326	3.160	20	30		CGEDRM
C=C(C)COc1cccc(NCc2c[nH]c(C(=O)[O-])c2)c1	ZINC000825647560	604658125	/nfs/dbraw/zinc/65/81/25/604658125.db2.gz	OQEAVBWMLHZLKZ-UHFFFAOYSA-N	-1	0	286.331	3.280	20	30		CGEDRM
CC(C)(C#N)CCCN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000167299695	604772907	/nfs/dbraw/zinc/77/29/07/604772907.db2.gz	DNYXGUGAQSKXBF-CQSZACIVSA-N	-1	0	286.375	3.395	20	30		CGEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cccc(F)c2C#N)C1	ZINC000134983342	604872014	/nfs/dbraw/zinc/87/20/14/604872014.db2.gz	PPZWAXIDWYWIQA-LLVKDONJSA-N	-1	0	290.338	3.025	20	30		CGEDRM
C=CCCC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1	ZINC000833373686	604975079	/nfs/dbraw/zinc/97/50/79/604975079.db2.gz	YBNNGUYTHXGZSF-AWEZNQCLSA-N	-1	0	275.348	3.017	20	30		CGEDRM
COc1ccc(C#N)cc1CNc1cccc(NC(=O)[O-])c1	ZINC000832152708	604984844	/nfs/dbraw/zinc/98/48/44/604984844.db2.gz	KTTNJUKDSVRHJL-UHFFFAOYSA-N	-1	0	297.314	3.269	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000398101865	605073093	/nfs/dbraw/zinc/07/30/93/605073093.db2.gz	TWCSRGSISXUKRB-JTQLQIEISA-N	-1	0	294.326	3.390	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cccc2cccnc12	ZINC000255998390	605097968	/nfs/dbraw/zinc/09/79/68/605097968.db2.gz	QZMRHUTYZOHDFZ-UHFFFAOYSA-N	-1	0	291.310	3.379	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1csc(C2CC2)n1	ZINC000833783744	605099355	/nfs/dbraw/zinc/09/93/55/605099355.db2.gz	JIKKYITVBVVSNI-UHFFFAOYSA-N	-1	0	287.344	3.165	20	30		CGEDRM
O=C([O-])c1ccccc1NN=Cc1cc(F)ccc1F	ZINC000833783713	605101977	/nfs/dbraw/zinc/10/19/77/605101977.db2.gz	FUPGQCZGGNNQMW-UHFFFAOYSA-N	-1	0	276.242	3.109	20	30		CGEDRM
C#CCCCCCOC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833361729	605521138	/nfs/dbraw/zinc/52/11/38/605521138.db2.gz	JHZPYDKIXDIBBJ-UHFFFAOYSA-N	-1	0	275.304	3.127	20	30		CGEDRM
C#CCCCCCC(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC000833361656	605672654	/nfs/dbraw/zinc/67/26/54/605672654.db2.gz	GEUHAXQBHVZNPB-UHFFFAOYSA-N	-1	0	292.306	3.151	20	30		CGEDRM
C#Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)cc1	ZINC000899855036	620731851	/nfs/dbraw/zinc/73/18/51/620731851.db2.gz	AAXQPVGBLQELKY-KRWDZBQOSA-N	-1	0	287.359	3.134	20	30		CGEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000049501791	617611470	/nfs/dbraw/zinc/61/14/70/617611470.db2.gz	RUPVEJAQGIOBIL-ZETCQYMHSA-N	-1	0	275.395	3.056	20	30		CGEDRM
O=C(C=Cc1cccs1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513628	617613418	/nfs/dbraw/zinc/61/34/18/617613418.db2.gz	DMXOFLWWXMTNRF-CMDGGOBGSA-N	-1	0	299.417	3.380	20	30		CGEDRM
O=C1c2ccccc2C/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000254952219	617690789	/nfs/dbraw/zinc/69/07/89/617690789.db2.gz	ZXIFDZDAFBFFKL-VZUCSPMQSA-N	-1	0	272.250	3.493	20	30		CGEDRM
COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1[N+](=O)[O-]	ZINC000255007724	617724643	/nfs/dbraw/zinc/72/46/43/617724643.db2.gz	GMAROLWNHNVVFN-VURMDHGXSA-N	-1	0	299.282	3.205	20	30		CGEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000013343392	617737375	/nfs/dbraw/zinc/73/73/75/617737375.db2.gz	BIGSVSGNGXWVCJ-BJMVGYQFSA-N	-1	0	277.279	3.153	20	30		CGEDRM
N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2o1	ZINC000255279977	618155427	/nfs/dbraw/zinc/15/54/27/618155427.db2.gz	NRDJRINYVQMQLM-QDZRJHCZSA-N	-1	0	278.267	3.310	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)c([O-])c1	ZINC000255364001	618221292	/nfs/dbraw/zinc/22/12/92/618221292.db2.gz	NCAIBNUTGMEEFB-UITAMQMPSA-N	-1	0	254.285	3.302	20	30		CGEDRM
CCSc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000176815297	618739483	/nfs/dbraw/zinc/73/94/83/618739483.db2.gz	ZWDOBIGOQNZYOB-UHFFFAOYSA-N	-1	0	299.355	3.023	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccccc2Cl)c1	ZINC000176828908	618742329	/nfs/dbraw/zinc/74/23/29/618742329.db2.gz	UIUXWGHJKOFODC-UHFFFAOYSA-N	-1	0	286.718	3.098	20	30		CGEDRM
O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-]	ZINC000255720896	618780926	/nfs/dbraw/zinc/78/09/26/618780926.db2.gz	OTIHTMOJTXPBHD-DAXSKMNVSA-N	-1	0	287.246	3.336	20	30		CGEDRM
Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])c2ccccc21	ZINC000179739859	618800144	/nfs/dbraw/zinc/80/01/44/618800144.db2.gz	XWSNYBZAUFQLMH-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
N#Cc1ccccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255896969	618866877	/nfs/dbraw/zinc/86/68/77/618866877.db2.gz	VBXJVHKVPNMERU-ALCCZGGFSA-N	-1	0	267.259	3.299	20	30		CGEDRM
Cc1cc(C)c(CC(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC000180490674	618879996	/nfs/dbraw/zinc/87/99/96/618879996.db2.gz	AKJBCRSOVVJEMZ-UHFFFAOYSA-N	-1	0	294.354	3.370	20	30		CGEDRM
CC1(C)CCC/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000159017876	619006370	/nfs/dbraw/zinc/00/63/70/619006370.db2.gz	POIFWZMPXASPHG-FLIBITNWSA-N	-1	0	275.304	3.463	20	30		CGEDRM
COC(=O)[C@H](CC(C)C)/N=C/c1cc(Cl)ccc1O	ZINC000194861598	619144106	/nfs/dbraw/zinc/14/41/06/619144106.db2.gz	WTNDFYBSKUWZNW-WIJRQFRKSA-N	-1	0	283.755	3.052	20	30		CGEDRM
C=CC[C@H](C)Nc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000162864151	619220692	/nfs/dbraw/zinc/22/06/92/619220692.db2.gz	ONEHWTATIXWAOU-ZETCQYMHSA-N	-1	0	277.349	3.074	20	30		CGEDRM
CCCCCCCC(=O)N[C@](C)(CC)CC(=O)[O-]	ZINC000236841726	619278630	/nfs/dbraw/zinc/27/86/30/619278630.db2.gz	TUTMGPSPUOGWGC-CQSZACIVSA-N	-1	0	257.374	3.107	20	30		CGEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000048515266	619502350	/nfs/dbraw/zinc/50/23/50/619502350.db2.gz	FAYDEAAYDGRAFR-UHFFFAOYSA-N	-1	0	275.395	3.138	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CC1	ZINC000048518988	619503310	/nfs/dbraw/zinc/50/33/10/619503310.db2.gz	VGDPKEHMPXNGAX-CMDGGOBGSA-N	-1	0	299.779	3.342	20	30		CGEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518886	619503537	/nfs/dbraw/zinc/50/35/37/619503537.db2.gz	QSFLQDZXWCFFPY-UHFFFAOYSA-N	-1	0	289.784	3.421	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000048519742	619503837	/nfs/dbraw/zinc/50/38/37/619503837.db2.gz	XTGDFGLYRSIGFO-UHFFFAOYSA-N	-1	0	295.282	3.151	20	30		CGEDRM
C[C@@]1(CN=Nc2ccc(C(=O)[O-])cc2)CCCS1	ZINC000792865086	619671003	/nfs/dbraw/zinc/67/10/03/619671003.db2.gz	BECACWQBBNYEOA-ZDUSSCGKSA-N	-1	0	264.350	3.068	20	30		CGEDRM
CCOC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000840707814	620091247	/nfs/dbraw/zinc/09/12/47/620091247.db2.gz	YOLNLHUCPDZXSR-MHWRWJLKSA-N	-1	0	292.335	3.069	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1O	ZINC000193148707	620360977	/nfs/dbraw/zinc/36/09/77/620360977.db2.gz	TVIGWPOVLXHUHJ-HWKANZROSA-N	-1	0	276.313	3.064	20	30		CGEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000073086698	625429375	/nfs/dbraw/zinc/42/93/75/625429375.db2.gz	ZARCGVICZSCAIF-VIFPVBQESA-N	-1	0	289.784	3.277	20	30		CGEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000073086849	625430076	/nfs/dbraw/zinc/43/00/76/625430076.db2.gz	WDCOZKJDRULZPC-SSDOTTSWSA-N	-1	0	295.813	3.339	20	30		CGEDRM
C[C@H]1CCCCN1N=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901261978	620849260	/nfs/dbraw/zinc/84/92/60/620849260.db2.gz	SOOLPNJQRLDBFB-QMMMGPOBSA-N	-1	0	286.784	3.308	20	30		CGEDRM
CC[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)OC	ZINC000905003039	622027664	/nfs/dbraw/zinc/02/76/64/622027664.db2.gz	OHIDISLUUIMEHW-YSIZRHRHSA-N	-1	0	290.146	3.070	20	30		CGEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(C)cc1C)C(=O)[O-]	ZINC000905016118	622027998	/nfs/dbraw/zinc/02/79/98/622027998.db2.gz	QAFPZRUBPQFNRN-AWEZNQCLSA-N	-1	0	290.363	3.234	20	30		CGEDRM
C[C@H]1[C@](C)(CN=Nc2ccc(CC(=O)[O-])cc2)[C@@]1(F)Cl	ZINC000905483409	622077428	/nfs/dbraw/zinc/07/74/28/622077428.db2.gz	HLGUTDIXKXIBHA-QCZZGDTMSA-N	-1	0	298.745	3.272	20	30		CGEDRM
CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(O)cc1Cl	ZINC000905462789	622078368	/nfs/dbraw/zinc/07/83/68/622078368.db2.gz	VNEOJPQMFBRSOI-LLVKDONJSA-N	-1	0	296.798	3.317	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C	ZINC000907611236	622302339	/nfs/dbraw/zinc/30/23/39/622302339.db2.gz	UAXATUNLBHINBC-HIFRSBDPSA-N	-1	0	289.375	3.229	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1	ZINC000909835868	622430356	/nfs/dbraw/zinc/43/03/56/622430356.db2.gz	KHBLYEMCRJTFIL-NSHDSACASA-N	-1	0	273.332	3.170	20	30		CGEDRM
Cc1ccc2ncc(/C=C/C(=O)c3ccc(F)cc3[O-])n2c1	ZINC000151446879	622784319	/nfs/dbraw/zinc/78/43/19/622784319.db2.gz	FLOWWEBFGVTEMG-GQCTYLIASA-N	-1	0	296.301	3.384	20	30		CGEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-]	ZINC000156672454	622832317	/nfs/dbraw/zinc/83/23/17/622832317.db2.gz	RFRXDQDZMNVWRX-XVNBXDOJSA-N	-1	0	287.246	3.336	20	30		CGEDRM
COc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1O	ZINC000156669713	622832453	/nfs/dbraw/zinc/83/24/53/622832453.db2.gz	QUPGRHABNSHOLI-GORDUTHDSA-N	-1	0	288.274	3.142	20	30		CGEDRM
N#Cc1csc(/C=C/C(=O)c2cc(F)ccc2[O-])c1	ZINC000156668236	622832724	/nfs/dbraw/zinc/83/27/24/622832724.db2.gz	GYZSWERFDMVIGW-DUXPYHPUSA-N	-1	0	273.288	3.361	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1	ZINC000156677113	622834044	/nfs/dbraw/zinc/83/40/44/622834044.db2.gz	UYMSXQDOLLHRBD-FNORWQNLSA-N	-1	0	267.259	3.299	20	30		CGEDRM
Cc1cccn2c(/C=C/C(=O)c3ccc(F)cc3[O-])cnc12	ZINC000156711719	622841265	/nfs/dbraw/zinc/84/12/65/622841265.db2.gz	DITWWWPSJFVREQ-FNORWQNLSA-N	-1	0	296.301	3.384	20	30		CGEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1C	ZINC000915933845	624080751	/nfs/dbraw/zinc/08/07/51/624080751.db2.gz	PVWXPFQWGVRYST-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1	ZINC000915981054	624088561	/nfs/dbraw/zinc/08/85/61/624088561.db2.gz	IPHXKUJSAGJBJW-DHZHZOJOSA-N	-1	0	296.322	3.436	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2C[C@H](C)CC(C)(C)C2)n1	ZINC000916241532	624128292	/nfs/dbraw/zinc/12/82/92/624128292.db2.gz	INBSRIZJOAQKBU-VIFPVBQESA-N	-1	0	262.357	3.105	20	30		CGEDRM
O=C([O-])c1ccc(N=NC=CCc2ccco2)cc1	ZINC000920359742	624482901	/nfs/dbraw/zinc/48/29/01/624482901.db2.gz	QVHTUJNWXRWIRE-WFHWUNICSA-N	-1	0	256.261	3.089	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000920942669	624554521	/nfs/dbraw/zinc/55/45/21/624554521.db2.gz	ASRHRLVIZPDIAF-NNFJOIEBSA-N	-1	0	262.309	3.298	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/Cc3c(cccc3F)C2=O)cc1	ZINC000921264679	624578094	/nfs/dbraw/zinc/57/80/94/624578094.db2.gz	XATFRMMINGMBHQ-WQLSENKSSA-N	-1	0	282.270	3.346	20	30		CGEDRM
Cc1cccc2c1NC(=O)C2=NNc1cccc(C(=O)[O-])c1	ZINC000013338425	626003356	/nfs/dbraw/zinc/00/33/56/626003356.db2.gz	GQOAVHOUELNULZ-UHFFFAOYSA-N	-1	0	295.298	3.111	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CC1=CCCCC1	ZINC000073837550	626069659	/nfs/dbraw/zinc/06/96/59/626069659.db2.gz	AXWOPSPIZLNYKH-UHFFFAOYSA-N	-1	0	273.398	3.352	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCc1cccc(C)c1	ZINC000073837637	626070255	/nfs/dbraw/zinc/07/02/55/626070255.db2.gz	HKBKRZRPNQUSJK-UHFFFAOYSA-N	-1	0	297.420	3.403	20	30		CGEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCc1cccs1	ZINC000073838435	626070367	/nfs/dbraw/zinc/07/03/67/626070367.db2.gz	ITFAUQWFVUHNOL-UHFFFAOYSA-N	-1	0	289.422	3.156	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000923083286	626129060	/nfs/dbraw/zinc/12/90/60/626129060.db2.gz	NJMXQMWYNXUHPI-NSHDSACASA-N	-1	0	288.347	3.143	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000751205622	626380508	/nfs/dbraw/zinc/38/05/08/626380508.db2.gz	QCPJTWPZMYPNLC-WTKPLQERSA-N	-1	0	299.282	3.205	20	30		CGEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCOCC1	ZINC000755872752	626655623	/nfs/dbraw/zinc/65/56/23/626655623.db2.gz	TVJSMAOHNYRPIN-UHFFFAOYSA-N	-1	0	296.754	3.253	20	30		CGEDRM
CC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756901338	626740214	/nfs/dbraw/zinc/74/02/14/626740214.db2.gz	OYUICQXCKVAHHW-VIFPVBQESA-N	-1	0	264.325	3.227	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C(C)C)C1CC1	ZINC000756901696	626740219	/nfs/dbraw/zinc/74/02/19/626740219.db2.gz	WXCUKFCDWDISEE-UHFFFAOYSA-N	-1	0	276.336	3.227	20	30		CGEDRM
Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccccc1[O-]	ZINC000757475438	626782486	/nfs/dbraw/zinc/78/24/86/626782486.db2.gz	SCEGFODPEXNSAE-SREVYHEPSA-N	-1	0	297.141	3.329	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C\c2nc(Cl)cs2)cs1	ZINC000759084918	626872476	/nfs/dbraw/zinc/87/24/76/626872476.db2.gz	RZMPEZYJISWMBE-UPHRSURJSA-N	-1	0	299.760	3.452	20	30		CGEDRM
Cn1cc(C(=O)/C=C\c2cc(Cl)c([O-])cc2Cl)cn1	ZINC000759075151	626872927	/nfs/dbraw/zinc/87/29/27/626872927.db2.gz	GDHWUFUVGBASMZ-IHWYPQMZSA-N	-1	0	297.141	3.329	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000759666736	626913921	/nfs/dbraw/zinc/91/39/21/626913921.db2.gz	UZPJLVMWDCPZBU-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc3cccnc32)c1	ZINC000759712570	626917216	/nfs/dbraw/zinc/91/72/16/626917216.db2.gz	ACTGQFUWWCWUNU-UHFFFAOYSA-N	-1	0	289.294	3.064	20	30		CGEDRM
N#Cc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000805259711	627131125	/nfs/dbraw/zinc/13/11/25/627131125.db2.gz	VCVKAWRMECQQNT-UHFFFAOYSA-N	-1	0	290.681	3.309	20	30		CGEDRM
COc1ccsc1/C=C\C(=O)c1ccccc1[O-]	ZINC000764443769	627207970	/nfs/dbraw/zinc/20/79/70/627207970.db2.gz	XSLLEHVYAJBKKR-SREVYHEPSA-N	-1	0	260.314	3.358	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCCC[C@H]2C(C)C)n1	ZINC000764640213	627216018	/nfs/dbraw/zinc/21/60/18/627216018.db2.gz	JOHMHCQGILFRLH-NSHDSACASA-N	-1	0	262.357	3.105	20	30		CGEDRM
Cn1ccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])n1	ZINC000765498365	627253665	/nfs/dbraw/zinc/25/36/65/627253665.db2.gz	BERVHLOXPJIISM-GIDUJCDVSA-N	-1	0	284.146	3.052	20	30		CGEDRM
O=C([O-])c1ccc(N=NCC2Cc3ccccc3C2)cc1	ZINC000766424757	627330781	/nfs/dbraw/zinc/33/07/81/627330781.db2.gz	PMRUYZNVDJVJRD-UHFFFAOYSA-N	-1	0	280.327	3.198	20	30		CGEDRM
CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1ccccc1N(C)C	ZINC000769568372	627567066	/nfs/dbraw/zinc/56/70/66/627567066.db2.gz	YUDXVALPNBUUQH-UHFFFAOYSA-N	-1	0	297.358	3.287	20	30		CGEDRM
Cc1cc2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cn2c1	ZINC000774082215	627943674	/nfs/dbraw/zinc/94/36/74/627943674.db2.gz	PMBKWHJONXGUKQ-UHFFFAOYSA-N	-1	0	291.310	3.077	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2F)c1	ZINC000774119821	627947262	/nfs/dbraw/zinc/94/72/62/627947262.db2.gz	JJFJHKAGPWRSMS-HJWRWDBZSA-N	-1	0	270.259	3.420	20	30		CGEDRM
Cc1ccc(O)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000774136648	627949660	/nfs/dbraw/zinc/94/96/60/627949660.db2.gz	RGLNGXSDZCQCPY-SOFGYWHQSA-N	-1	0	282.295	3.295	20	30		CGEDRM
N#C[C@@H](NC(=O)c1cccc(Cl)c1[O-])C1CCCCC1	ZINC000775769212	628134986	/nfs/dbraw/zinc/13/49/86/628134986.db2.gz	JNIRKBCMZOWKAC-CYBMUJFWSA-N	-1	0	292.766	3.248	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCc3ccc(F)cc32)nc1	ZINC000776187048	628177596	/nfs/dbraw/zinc/17/75/96/628177596.db2.gz	FIAJRCAGZDEXJV-UHFFFAOYSA-N	-1	0	299.305	3.071	20	30		CGEDRM
CC(N=Nc1cc(Cl)ccn1)c1cccc(C(=O)[O-])c1	ZINC000777905353	628309438	/nfs/dbraw/zinc/30/94/38/628309438.db2.gz	HUMUVEZEQQLMIF-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cccs2)c1	ZINC000782200701	628624297	/nfs/dbraw/zinc/62/42/97/628624297.db2.gz	XJHNWHPCOCTIJV-ONEGZZNKSA-N	-1	0	264.327	3.404	20	30		CGEDRM
C=CCCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790598915	629219475	/nfs/dbraw/zinc/21/94/75/629219475.db2.gz	RGDHZRZXOSVDGQ-ZSOIEALJSA-N	-1	0	268.700	3.339	20	30		CGEDRM
CCCCCCCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000862357940	629350109	/nfs/dbraw/zinc/35/01/09/629350109.db2.gz	NOQGKSZNIAFQBH-UHFFFAOYSA-N	-1	0	271.307	3.371	20	30		CGEDRM
CC[C@H](NN=C1CCC[C@@H](CC(C)C)C1)C(=O)[O-]	ZINC000793071305	629408021	/nfs/dbraw/zinc/40/80/21/629408021.db2.gz	HRXXXIIJFJVXLF-AAEUAGOBSA-N	-1	0	254.374	3.032	20	30		CGEDRM
CC[C@@H](NN=C(Cc1ccc(C)cc1)C(C)C)C(=O)[O-]	ZINC000793082062	629409225	/nfs/dbraw/zinc/40/92/25/629409225.db2.gz	UWBSAPJDITYIEI-CQSZACIVSA-N	-1	0	276.380	3.002	20	30		CGEDRM
CC[C@H](C)CON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000793159335	629418304	/nfs/dbraw/zinc/41/83/04/629418304.db2.gz	NIFOLVMSIBWVAO-SMDDNHRTSA-N	-1	0	275.348	3.415	20	30		CGEDRM
COC1CCC(CN=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000863117742	629477487	/nfs/dbraw/zinc/47/74/87/629477487.db2.gz	CFABJXWWSVFTNY-UHFFFAOYSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCC[C@@](C)(CC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793734514	629498141	/nfs/dbraw/zinc/49/81/41/629498141.db2.gz	DCTMIQMPTCOJGM-OAHLLOKOSA-N	-1	0	260.337	3.419	20	30		CGEDRM
C[C@@H]1CC[C@@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000794677264	629565541	/nfs/dbraw/zinc/56/55/41/629565541.db2.gz	TZRXOAVUAPTDRS-SOARTTPMSA-N	-1	0	268.700	3.171	20	30		CGEDRM
COCCCON=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000795048660	629627714	/nfs/dbraw/zinc/62/77/14/629627714.db2.gz	OSJIFJMOCXAYKL-UHFFFAOYSA-N	-1	0	278.135	3.086	20	30		CGEDRM
CC(C)CCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000863950804	629704884	/nfs/dbraw/zinc/70/48/84/629704884.db2.gz	OOJHFYASRPJGHY-UHFFFAOYSA-N	-1	0	254.717	3.482	20	30		CGEDRM
CCCCCCCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864159253	629787504	/nfs/dbraw/zinc/78/75/04/629787504.db2.gz	RMHRWQOVVOOFCG-CSKARUKUSA-N	-1	0	279.336	3.078	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC000864176342	629790403	/nfs/dbraw/zinc/79/04/03/629790403.db2.gz	QWBFDDKRSCNUCZ-ILXRZTDVSA-N	-1	0	295.423	3.449	20	30		CGEDRM
COc1cc(C=CC(=O)c2sccc2[O-])ccc1C#N	ZINC000799496994	630191196	/nfs/dbraw/zinc/19/11/96/630191196.db2.gz	CHVJQCQYQSSAEV-HYXAFXHYSA-N	-1	0	285.324	3.230	20	30		CGEDRM
Cc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)ccc1C#N	ZINC000806559031	630566896	/nfs/dbraw/zinc/56/68/96/630566896.db2.gz	SEBWEMQUXPKFOY-SOFGYWHQSA-N	-1	0	291.306	3.461	20	30		CGEDRM
COc1ccc(C(=O)/C=C\c2cccc(F)c2C#N)c([O-])c1	ZINC000811691836	631110524	/nfs/dbraw/zinc/11/05/24/631110524.db2.gz	SVOMHAUJQPZXFZ-YVMONPNESA-N	-1	0	297.285	3.308	20	30		CGEDRM
Cc1ccc(C(=O)/C=C\c2cn(C)nc2C(F)F)c([O-])c1	ZINC000812243540	631231026	/nfs/dbraw/zinc/23/10/26/631231026.db2.gz	OFBUUYHYSULKGA-XQRVVYSFSA-N	-1	0	292.285	3.268	20	30		CGEDRM
C=CCN(CCC#N)Cc1c([O-])ccc(Cl)c1F	ZINC000814171127	631537099	/nfs/dbraw/zinc/53/70/99/631537099.db2.gz	KYKOQOXPXYGIBE-UHFFFAOYSA-N	-1	0	268.719	3.086	20	30		CGEDRM
CCCC(=NNc1cccc(C(=O)[O-])c1)c1cccnc1	ZINC000814687567	631622792	/nfs/dbraw/zinc/62/27/92/631622792.db2.gz	LLULUPJBJDPDDU-UHFFFAOYSA-N	-1	0	283.331	3.396	20	30		CGEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncccc1Cl	ZINC000814810864	631646193	/nfs/dbraw/zinc/64/61/93/631646193.db2.gz	XHABHKRYQUCICV-DTWKUNHWSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1CC(N=Nc2ncccc2Cl)CC[C@@H]1C(=O)[O-]	ZINC000814810504	631646387	/nfs/dbraw/zinc/64/63/87/631646387.db2.gz	OKZBVBDZNIAALX-WPRPVWTQSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1	ZINC000814815358	631647907	/nfs/dbraw/zinc/64/79/07/631647907.db2.gz	VAMFLZRMDOBLEW-SLEUVZQESA-N	-1	0	274.364	3.214	20	30		CGEDRM
Cc1ccc(N=NC2CCc3cccc(C(=O)[O-])c3C2)nc1	ZINC000814831602	631651028	/nfs/dbraw/zinc/65/10/28/631651028.db2.gz	JDQPMBVVYVNAFZ-UHFFFAOYSA-N	-1	0	295.342	3.045	20	30		CGEDRM
CCC(CC)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814851774	631655635	/nfs/dbraw/zinc/65/56/35/631655635.db2.gz	UJNAUNSGTSSUDE-JQWIXIFHSA-N	-1	0	268.401	3.278	20	30		CGEDRM
Cc1ccnc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)c1	ZINC000814867948	631659686	/nfs/dbraw/zinc/65/96/86/631659686.db2.gz	IZPOVLNWPANVFQ-OLZOCXBDSA-N	-1	0	289.379	3.315	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC(C)(C)SC	ZINC000814887076	631665927	/nfs/dbraw/zinc/66/59/27/631665927.db2.gz	HLNYTDRLFAPVPB-UHFFFAOYSA-N	-1	0	296.392	3.323	20	30		CGEDRM
C[C@@H]1C(=NO[C@H]2CCCCO2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814887930	631666786	/nfs/dbraw/zinc/66/67/86/631666786.db2.gz	SZJYYTHINLRGCA-WZRBSPASSA-N	-1	0	283.368	3.043	20	30		CGEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cc(Cl)ccn1	ZINC000814897759	631669788	/nfs/dbraw/zinc/66/97/88/631669788.db2.gz	DGNOPWRURGAIEK-IUCAKERBSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1CC(N=Nc2cc(Cl)ccn2)CC[C@H]1C(=O)[O-]	ZINC000814897718	631669843	/nfs/dbraw/zinc/66/98/43/631669843.db2.gz	CLHQUGAVQCVRLY-GZMMTYOYSA-N	-1	0	281.743	3.024	20	30		CGEDRM
O=C([O-])c1cc(C=NNc2cc(Cl)cc(Cl)c2)c[nH]1	ZINC000814913483	631678912	/nfs/dbraw/zinc/67/89/12/631678912.db2.gz	RLWTVUXTBNOSIA-UHFFFAOYSA-N	-1	0	298.129	3.466	20	30		CGEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOC/C=C/Cl	ZINC000814934646	631689299	/nfs/dbraw/zinc/68/92/99/631689299.db2.gz	XJWMSNLKTMKTHJ-DJELVZJCSA-N	-1	0	279.723	3.194	20	30		CGEDRM
CC(CCCCCCC(=O)[O-])=NNC[C@H]1CCSC1	ZINC000814935701	631689960	/nfs/dbraw/zinc/68/99/60/631689960.db2.gz	QFDHDMVSJZNJSQ-CYBMUJFWSA-N	-1	0	286.441	3.130	20	30		CGEDRM
C[C@@H]1C(=NNCC2(C)CCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814937791	631691450	/nfs/dbraw/zinc/69/14/50/631691450.db2.gz	PMJCYLJOOVQCLN-NWDGAFQWSA-N	-1	0	266.385	3.033	20	30		CGEDRM
C[C@@H]1CC(N=Nc2cccc(Cl)n2)CC[C@@H]1C(=O)[O-]	ZINC000814939637	631693655	/nfs/dbraw/zinc/69/36/55/631693655.db2.gz	XRYOPCQGITUASF-SCZZXKLOSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000822310357	632900418	/nfs/dbraw/zinc/90/04/18/632900418.db2.gz	NILXREYVGKBQSR-QMMMGPOBSA-N	-1	0	255.264	3.211	20	30		CGEDRM
C[C@@H]1CCCCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000844599737	635940799	/nfs/dbraw/zinc/94/07/99/635940799.db2.gz	AINMOVZIDYYLHZ-SNVBAGLBSA-N	-1	0	261.325	3.148	20	30		CGEDRM
Cc1c(N=NC[C@@H]2CC=CCC2)cccc1C(=O)[O-]	ZINC000844627544	635947178	/nfs/dbraw/zinc/94/71/78/635947178.db2.gz	NTWFBBKOMOFRIB-GFCCVEGCSA-N	-1	0	258.321	3.447	20	30		CGEDRM
Cc1[n-]n(-c2cc(Cl)ccc2F)c(=O)c1CCC#N	ZINC000871963567	633930987	/nfs/dbraw/zinc/93/09/87/633930987.db2.gz	QNRNFJPICJLJCN-JTQLQIEISA-N	-1	0	279.702	3.122	20	30		CGEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@H]1CCCOC1	ZINC000872386911	634128708	/nfs/dbraw/zinc/12/87/08/634128708.db2.gz	HZGJGBJJUZPFPG-LBPRGKRZSA-N	-1	0	290.363	3.298	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1cc(C(=O)[O-])oc1C	ZINC000872751507	634202115	/nfs/dbraw/zinc/20/21/15/634202115.db2.gz	DEHSQYCZTHOKMT-UHFFFAOYSA-N	-1	0	279.336	3.008	20	30		CGEDRM
CC[C@](C)(CN=Nc1ccc(Cl)c(C(=O)[O-])c1)OC	ZINC000834916209	634287185	/nfs/dbraw/zinc/28/71/85/634287185.db2.gz	VLBGGIAUFLZRCG-CYBMUJFWSA-N	-1	0	284.743	3.251	20	30		CGEDRM
CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOC(C)C	ZINC000834999681	634307591	/nfs/dbraw/zinc/30/75/91/634307591.db2.gz	DLMKEPDUBZVSTO-UHFFFAOYSA-N	-1	0	293.363	3.274	20	30		CGEDRM
C[C@@H]1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000835007137	634311451	/nfs/dbraw/zinc/31/14/51/634311451.db2.gz	PNUFOPLRKIZKHV-GHMZBOCLSA-N	-1	0	261.325	3.004	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C[C@H](C)C1	ZINC000835007013	634311929	/nfs/dbraw/zinc/31/19/29/634311929.db2.gz	ONUNATDAONALOG-NXEZZACHSA-N	-1	0	261.325	3.004	20	30		CGEDRM
CC1(C)Cc2occc2C(=NNc2ccc(C(=O)[O-])nc2)C1	ZINC000835007308	634312704	/nfs/dbraw/zinc/31/27/04/634312704.db2.gz	SHLRGFGXUZEKTR-UHFFFAOYSA-N	-1	0	299.330	3.161	20	30		CGEDRM
CC1(C#N)CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000835008621	634313178	/nfs/dbraw/zinc/31/31/78/634313178.db2.gz	LWNRALGUKMSZMX-UHFFFAOYSA-N	-1	0	289.310	3.396	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCF)cc1F	ZINC000835008589	634313194	/nfs/dbraw/zinc/31/31/94/634313194.db2.gz	HJAKXURHWYPYQZ-VIFPVBQESA-N	-1	0	282.290	3.452	20	30		CGEDRM
CC(CCC(C)(C)C)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010348	634315059	/nfs/dbraw/zinc/31/50/59/634315059.db2.gz	YDXXFZTWUHUZTQ-UHFFFAOYSA-N	-1	0	263.341	3.394	20	30		CGEDRM
C=CCO[N-]C(=O)C1(c2ccc(Cl)cc2)CCCC1	ZINC000837043304	634845834	/nfs/dbraw/zinc/84/58/34/634845834.db2.gz	NVBDTOUEDUAWOQ-UHFFFAOYSA-N	-1	0	279.767	3.386	20	30		CGEDRM
C=CCCCCOC(=O)c1c(F)cc([O-])cc1F	ZINC000837534957	634928336	/nfs/dbraw/zinc/92/83/36/634928336.db2.gz	XCOPTUMPAWXYEH-UHFFFAOYSA-N	-1	0	256.248	3.184	20	30		CGEDRM
CC(CCCCC#N)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000841641418	635206625	/nfs/dbraw/zinc/20/66/25/635206625.db2.gz	QLTFNBIBVGOGPD-UHFFFAOYSA-N	-1	0	277.299	3.396	20	30		CGEDRM
COCC(CC(C)(C)C)N=Nc1cccc(C(=O)[O-])c1	ZINC000844564910	635932367	/nfs/dbraw/zinc/93/23/67/635932367.db2.gz	KFMVELVMVDKPJI-UHFFFAOYSA-N	-1	0	278.352	3.235	20	30		CGEDRM
Cc1c(N=NC2CCC23CCOCC3)cccc1C(=O)[O-]	ZINC000844624100	635945374	/nfs/dbraw/zinc/94/53/74/635945374.db2.gz	URDUMBOHRWNSSP-UHFFFAOYSA-N	-1	0	288.347	3.052	20	30		CGEDRM
CCO[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624403	635945576	/nfs/dbraw/zinc/94/55/76/635945576.db2.gz	XNGLZZMJAVSJGW-CQSZACIVSA-N	-1	0	276.336	3.050	20	30		CGEDRM
C#CCCCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845835221	636105235	/nfs/dbraw/zinc/10/52/35/636105235.db2.gz	XLPUZSWLOHDQOZ-ZDUSSCGKSA-N	-1	0	299.395	3.322	20	30		CGEDRM
CC=C(C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845837831	636105479	/nfs/dbraw/zinc/10/54/79/636105479.db2.gz	POCVXCNTQMJSPK-UOLPYZNQSA-N	-1	0	287.384	3.485	20	30		CGEDRM
N#CC(C(=O)CC1CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845836455	636105689	/nfs/dbraw/zinc/10/56/89/636105689.db2.gz	CRIRIXNIYOCVSO-GFCCVEGCSA-N	-1	0	287.384	3.319	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](OC(C)(C)C)c1ccccc1	ZINC000846536511	636194136	/nfs/dbraw/zinc/19/41/36/636194136.db2.gz	OLSIOVBHPVTIGD-AWEZNQCLSA-N	-1	0	277.364	3.167	20	30		CGEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	ZINC000846550388	636200451	/nfs/dbraw/zinc/20/04/51/636200451.db2.gz	OSCKIKXPVRAYJC-MNOVXSKESA-N	-1	0	283.755	3.038	20	30		CGEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)cc2)s1	ZINC000213227138	636439595	/nfs/dbraw/zinc/43/95/95/636439595.db2.gz	RPZCERLNLWACCK-UTCJRWHESA-N	-1	0	276.288	3.482	20	30		CGEDRM
C[C@@H]1CC[C@@H](CN=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414315	636570618	/nfs/dbraw/zinc/57/06/18/636570618.db2.gz	LGBUQRLJPWGGOS-DGCLKSJQSA-N	-1	0	260.337	3.148	20	30		CGEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H]1C[C@H]1C	ZINC000848413896	636570649	/nfs/dbraw/zinc/57/06/49/636570649.db2.gz	DVDULVGPLYHGQS-ZWNOBZJWSA-N	-1	0	260.337	3.148	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCC23CCC3)cc1	ZINC000848414361	636570784	/nfs/dbraw/zinc/57/07/84/636570784.db2.gz	MZDPKBJMBCZQBH-UHFFFAOYSA-N	-1	0	258.321	3.046	20	30		CGEDRM
O=C(/C=C/c1ccnn1CC1CC1)c1cc(F)ccc1[O-]	ZINC000849246306	636778681	/nfs/dbraw/zinc/77/86/81/636778681.db2.gz	HBOBFOHUXULPCU-GQCTYLIASA-N	-1	0	286.306	3.034	20	30		CGEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000853370808	637826404	/nfs/dbraw/zinc/82/64/04/637826404.db2.gz	XENIRCUYJNDADD-UHFFFAOYSA-N	-1	0	273.336	3.041	20	30		CGEDRM
Cc1c(N=NC2CC(CF)(CF)C2)cccc1C(=O)[O-]	ZINC000853370597	637826483	/nfs/dbraw/zinc/82/64/83/637826483.db2.gz	RIVWVCIJAUITLH-UHFFFAOYSA-N	-1	0	282.290	3.180	20	30		CGEDRM
C=CCCO[N-]C(=O)CSCc1cccc(Cl)c1	ZINC000856028655	638285954	/nfs/dbraw/zinc/28/59/54/638285954.db2.gz	LPXSBYBARGSJFR-UHFFFAOYSA-N	-1	0	285.796	3.197	20	30		CGEDRM
CC[C@](C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931299552	639132164	/nfs/dbraw/zinc/13/21/64/639132164.db2.gz	SSRARTGFAOCUMV-GFCCVEGCSA-N	-1	0	287.146	3.121	20	30		CGEDRM
N#Cc1ccc(C2(C(=O)[N-]OC3CCCC3)CCCC2)cc1	ZINC000860602406	639382083	/nfs/dbraw/zinc/38/20/83/639382083.db2.gz	QYAVFGLMCRFVAY-UHFFFAOYSA-N	-1	0	298.386	3.360	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccc(F)c2)n1	ZINC000047358359	640011859	/nfs/dbraw/zinc/01/18/59/640011859.db2.gz	RVEVJAAMLCULRD-URWSZGRFSA-N	-1	0	286.331	3.480	20	30		CGEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC=CC1	ZINC000077940300	640273618	/nfs/dbraw/zinc/27/36/18/640273618.db2.gz	ICKAZSUMRVWXDD-UHFFFAOYSA-N	-1	0	291.781	3.013	20	30		CGEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000193951015	640504204	/nfs/dbraw/zinc/50/42/04/640504204.db2.gz	PBSLVZQWFPDZDC-UHFFFAOYSA-N	-1	0	297.420	3.160	20	30		CGEDRM
COC[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000194469522	640533414	/nfs/dbraw/zinc/53/34/14/640533414.db2.gz	LBLSXPGRRZGYTE-DZYDPXEMSA-N	-1	0	276.163	3.400	20	30		CGEDRM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccco1	ZINC000254487189	640912001	/nfs/dbraw/zinc/91/20/01/640912001.db2.gz	SZSAYUAWHIKKHR-UHFFFAOYSA-N	-1	0	288.307	3.222	20	30		CGEDRM
C=CCCCCNc1nc(Cl)c(C(=O)[O-])s1	ZINC000309412675	963347529	/nfs/dbraw/zinc/34/75/29/963347529.db2.gz	KIWYEPLABQWTKV-UHFFFAOYSA-N	-1	0	260.746	3.263	20	30		CGEDRM
Cc1cc2nc(-c3cc(C#N)ccc3[O-])[nH]c2cc1C	ZINC001251180076	805860101	/nfs/dbraw/zinc/86/01/01/805860101.db2.gz	AOHXDEPFTMBCKM-UHFFFAOYSA-N	-1	0	263.300	3.424	20	30		CGEDRM
CCOc1ccc2nc(-c3cc(C#N)ccc3[O-])n(C)c2c1	ZINC001251180391	805860218	/nfs/dbraw/zinc/86/02/18/805860218.db2.gz	STGZUMYLXSTCNM-UHFFFAOYSA-N	-1	0	293.326	3.216	20	30		CGEDRM
CC(C)S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1C#N	ZINC001252530240	806056596	/nfs/dbraw/zinc/05/65/96/806056596.db2.gz	RQYBKJLFGUTBLR-UHFFFAOYSA-N	-1	0	293.175	3.015	20	30		CGEDRM
CC(C)(CCC#N)CNC(=O)c1ccc(Cl)c([O-])c1	ZINC001160651921	806293300	/nfs/dbraw/zinc/29/33/00/806293300.db2.gz	FEWKSMSVRLRSOT-UHFFFAOYSA-N	-1	0	280.755	3.105	20	30		CGEDRM
CCCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000046929188	798890922	/nfs/dbraw/zinc/89/09/22/798890922.db2.gz	PXLPUIRCBWMGIL-UHFFFAOYSA-N	-1	0	269.366	3.139	20	30		CGEDRM
CC[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000176398251	799095779	/nfs/dbraw/zinc/09/57/79/799095779.db2.gz	LOVDQCPFMIZGFH-LBPRGKRZSA-N	-1	0	260.337	3.275	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(CCC)cc1)C(=O)[O-]	ZINC000316246393	799240909	/nfs/dbraw/zinc/24/09/09/799240909.db2.gz	FAQMEADHTAEYBP-CQSZACIVSA-N	-1	0	290.363	3.180	20	30		CGEDRM
CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000398931218	799533162	/nfs/dbraw/zinc/53/31/62/799533162.db2.gz	SRWNNBOAEFKIBN-UONOGXRCSA-N	-1	0	283.412	3.306	20	30		CGEDRM
O=C(/C=C\c1cncs1)c1ccc([O-])c(Cl)c1	ZINC000588480307	799699816	/nfs/dbraw/zinc/69/98/16/799699816.db2.gz	XQUZHKSYLSZGFY-RQOWECAXSA-N	-1	0	265.721	3.398	20	30		CGEDRM
CCCCCc1nnc(-c2cccc(C#N)c2[O-])o1	ZINC001256145247	806834556	/nfs/dbraw/zinc/83/45/56/806834556.db2.gz	XRFOWRSBMXLCOU-UHFFFAOYSA-N	-1	0	257.293	3.047	20	30		CGEDRM
CO[C@@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC001119298272	802644859	/nfs/dbraw/zinc/64/48/59/802644859.db2.gz	CAABAGKGGXPDGF-OAHLLOKOSA-N	-1	0	290.363	3.061	20	30		CGEDRM
C=CC1(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCCCC1	ZINC001123294057	802924556	/nfs/dbraw/zinc/92/45/56/802924556.db2.gz	VNBSFBLGNZQELN-UONOGXRCSA-N	-1	0	293.407	3.273	20	30		CGEDRM
Cc1cc(-c2cccc(C3(C#N)CC3)c2)cnc1C(=O)[O-]	ZINC001244076688	803174069	/nfs/dbraw/zinc/17/40/69/803174069.db2.gz	MYASXOGRHIYRJF-UHFFFAOYSA-N	-1	0	278.311	3.310	20	30		CGEDRM
C=CCc1cc(C)cnc1-c1cc(OC)cc(C(=O)[O-])c1	ZINC001244174717	803224828	/nfs/dbraw/zinc/22/48/28/803224828.db2.gz	FTFVWWNONLHPDB-UHFFFAOYSA-N	-1	0	283.327	3.492	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(CCC(=O)[O-])cc2)nc1C	ZINC001244187501	803233470	/nfs/dbraw/zinc/23/34/70/803233470.db2.gz	QMZDIWFWIRUKOU-UHFFFAOYSA-N	-1	0	280.327	3.254	20	30		CGEDRM
Cc1ccnc(-c2c(F)c([O-])ccc2Cl)c1C#N	ZINC001244539036	803426851	/nfs/dbraw/zinc/42/68/51/803426851.db2.gz	WEQOUGNVIQYNEI-UHFFFAOYSA-N	-1	0	262.671	3.427	20	30		CGEDRM
N#CC1(c2cccc(-c3cc(C(=O)[O-])cnc3F)c2)CC1	ZINC001244762055	803523318	/nfs/dbraw/zinc/52/33/18/803523318.db2.gz	YZYQGEZZJPSUFS-UHFFFAOYSA-N	-1	0	282.274	3.141	20	30		CGEDRM
Cc1cc(-c2cc(C#N)nc(C3CC3)n2)cc(C)c1C(=O)[O-]	ZINC001244946885	803587292	/nfs/dbraw/zinc/58/72/92/803587292.db2.gz	SVBMAYSSBZCGPA-UHFFFAOYSA-N	-1	0	293.326	3.208	20	30		CGEDRM
N#Cc1c[nH]c2nc(-c3cc(Cl)ccc3[O-])ccc12	ZINC001245049502	803622038	/nfs/dbraw/zinc/62/20/38/803622038.db2.gz	WQBOGPHUQUEIQY-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
N#Cc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1F	ZINC001245071439	803631407	/nfs/dbraw/zinc/63/14/07/803631407.db2.gz	PINMPLNZVGKXJK-QGMBQPNBSA-N	-1	0	258.227	3.312	20	30		CGEDRM
N#CCc1cccnc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245372211	803717989	/nfs/dbraw/zinc/71/79/89/803717989.db2.gz	ZWSQVOLMEBPBCL-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
C[C@H](NC(=S)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC001245518267	803784506	/nfs/dbraw/zinc/78/45/06/803784506.db2.gz	LXSCQVYHPBTEFP-NSHDSACASA-N	-1	0	297.383	3.311	20	30		CGEDRM
CCSc1cccnc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001137933954	803801642	/nfs/dbraw/zinc/80/16/42/803801642.db2.gz	BIZKCBUSBRNPLG-UHFFFAOYSA-N	-1	0	299.355	3.023	20	30		CGEDRM
N#Cc1c2c(cnc1-c1c([O-])cccc1F)CCCC2	ZINC001245652961	803884946	/nfs/dbraw/zinc/88/49/46/803884946.db2.gz	FGNIKYLTWZHELI-UHFFFAOYSA-N	-1	0	268.291	3.344	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1	ZINC001245952034	804086271	/nfs/dbraw/zinc/08/62/71/804086271.db2.gz	NTCNSODIWBKPBU-UHFFFAOYSA-N	-1	0	281.142	3.451	20	30		CGEDRM
CCOc1cc(Nc2scc([O-])c2C#N)ccc1OC	ZINC001212540417	815057348	/nfs/dbraw/zinc/05/73/48/815057348.db2.gz	ANQSOGJJGMPDOM-UHFFFAOYSA-N	-1	0	290.344	3.476	20	30		CGEDRM
C=C[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001150694734	805264671	/nfs/dbraw/zinc/26/46/71/805264671.db2.gz	AXTNIGJOTKMVAI-LURJTMIESA-N	-1	0	260.120	3.003	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)c2cc3cc(F)ccc3o2)c1	ZINC001151432460	805288416	/nfs/dbraw/zinc/28/84/16/805288416.db2.gz	ZJBITCONMFXPOG-UHFFFAOYSA-N	-1	0	296.257	3.167	20	30		CGEDRM
N#Cc1cccc(Cc2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001250048916	805388139	/nfs/dbraw/zinc/38/81/39/805388139.db2.gz	OSAUNRFEUQCOEJ-CMDGGOBGSA-N	-1	0	263.296	3.247	20	30		CGEDRM
N#Cc1ccc(C(=O)Cc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC001250208742	805491308	/nfs/dbraw/zinc/49/13/08/805491308.db2.gz	ZESZYCOQBSYXAU-UHFFFAOYSA-N	-1	0	299.713	3.335	20	30		CGEDRM
N#Cc1cccc(N)c1Nc1c(F)ccc([O-])c1Cl	ZINC001250236074	805512157	/nfs/dbraw/zinc/51/21/57/805512157.db2.gz	HNFYHFUCPMFNAL-UHFFFAOYSA-N	-1	0	277.686	3.382	20	30		CGEDRM
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccsc2C#N)c1	ZINC001259518196	807679613	/nfs/dbraw/zinc/67/96/13/807679613.db2.gz	UYYVNUSMTZMDGO-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)c2sccc2C)s1	ZINC001260062443	807696259	/nfs/dbraw/zinc/69/62/59/807696259.db2.gz	NWCBNUDQQAZFAY-UHFFFAOYSA-N	-1	0	298.414	3.099	20	30		CGEDRM
C=C(C)CCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC001263630392	807981944	/nfs/dbraw/zinc/98/19/44/807981944.db2.gz	LBBPMNBIDRMESG-UHFFFAOYSA-N	-1	0	295.766	3.110	20	30		CGEDRM
CCCCCCCC[C@@H](CC)N[C@@H]1SC(=O)[N-]C1=O	ZINC001172506137	808361718	/nfs/dbraw/zinc/36/17/18/808361718.db2.gz	OMDFNGISUNYOLM-DGCLKSJQSA-N	-1	0	286.441	3.414	20	30		CGEDRM
N#Cc1cc(Nc2cccc(F)c2F)c([O-])cc1F	ZINC001173948495	808778600	/nfs/dbraw/zinc/77/86/00/808778600.db2.gz	ZISIZXNJNTUYRR-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
Cn1ncc2ccc(Nc3cc(C#N)c(F)cc3[O-])cc21	ZINC001174341805	808962312	/nfs/dbraw/zinc/96/23/12/808962312.db2.gz	VBLUVVBXGGTJJT-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
N#Cc1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])s1	ZINC001174807148	809167188	/nfs/dbraw/zinc/16/71/88/809167188.db2.gz	JWFWDKBEPFXLOC-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
N#Cc1c(F)cc(Nc2ccc(C(=O)[O-])s2)cc1F	ZINC001174807950	809168529	/nfs/dbraw/zinc/16/85/29/809168529.db2.gz	NRUFGELBRFMMHF-UHFFFAOYSA-N	-1	0	280.255	3.340	20	30		CGEDRM
Cc1cccc(C#N)c1Nc1ccc(C(=O)[O-])s1	ZINC001174810009	809168877	/nfs/dbraw/zinc/16/88/77/809168877.db2.gz	ZRGGPMKWJYHAHC-UHFFFAOYSA-N	-1	0	258.302	3.370	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(CC(=O)[O-])cc1	ZINC001174952224	809212244	/nfs/dbraw/zinc/21/22/44/809212244.db2.gz	PASPTGUHUCFOEY-UHFFFAOYSA-N	-1	0	270.263	3.068	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(F)c(F)c1	ZINC001174958235	809215604	/nfs/dbraw/zinc/21/56/04/809215604.db2.gz	OTYQIAJNHZMQCN-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1ccccc1C#N	ZINC001174981360	809223591	/nfs/dbraw/zinc/22/35/91/809223591.db2.gz	CCWSUUDEKYURNI-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
Cc1ccc(C(=O)[O-])cc1Nc1cnc(C#N)c(C)c1	ZINC001174983059	809225845	/nfs/dbraw/zinc/22/58/45/809225845.db2.gz	DAUFMKWOVKPXKO-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175218405	809312301	/nfs/dbraw/zinc/31/23/01/809312301.db2.gz	BGAPIHGEZGPAGI-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
N#Cc1cc(Nc2c(F)ccc(O)c2F)c([O-])cc1F	ZINC001175270203	809334691	/nfs/dbraw/zinc/33/46/91/809334691.db2.gz	WFOSFZWEINTESO-UHFFFAOYSA-N	-1	0	280.205	3.130	20	30		CGEDRM
N#CCc1ccsc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC001295828341	809494263	/nfs/dbraw/zinc/49/42/63/809494263.db2.gz	OXBZMHFEKJCRAF-UHFFFAOYSA-N	-1	0	292.747	3.425	20	30		CGEDRM
N#Cc1cc(Nc2ccc3c(c2)CCC3=O)c([O-])cc1F	ZINC001176239131	809654326	/nfs/dbraw/zinc/65/43/26/809654326.db2.gz	ORYWYONJYOJCCR-UHFFFAOYSA-N	-1	0	282.274	3.275	20	30		CGEDRM
N#Cc1ncc(Nc2csc(C(=O)[O-])c2)cc1Cl	ZINC001176435827	809696946	/nfs/dbraw/zinc/69/69/46/809696946.db2.gz	ICCJRBFANMNHDN-UHFFFAOYSA-N	-1	0	279.708	3.110	20	30		CGEDRM
N#Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)s1	ZINC001176663444	809737017	/nfs/dbraw/zinc/73/70/17/809737017.db2.gz	KLOXRSTZDBZIPD-UHFFFAOYSA-N	-1	0	270.235	3.486	20	30		CGEDRM
Cc1cnc(Nc2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001176662878	809737192	/nfs/dbraw/zinc/73/71/92/809737192.db2.gz	BOVNWYXNFJPHLB-UHFFFAOYSA-N	-1	0	279.221	3.128	20	30		CGEDRM
COc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC001176712493	809746806	/nfs/dbraw/zinc/74/68/06/809746806.db2.gz	CIGLZFQJAMILTL-UHFFFAOYSA-N	-1	0	268.272	3.009	20	30		CGEDRM
CCCCN(O)C(=O)c1scnc1C1CCCC1	ZINC001184315035	810190483	/nfs/dbraw/zinc/19/04/83/810190483.db2.gz	POCZLYUDMLLGBG-UHFFFAOYSA-N	-1	0	268.382	3.432	20	30		CGEDRM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccsc2)c1C#N	ZINC001185392859	810260357	/nfs/dbraw/zinc/26/03/57/810260357.db2.gz	YKWTXZPLXZDYJR-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
CCCCN(CC#N)C(=O)C=C([O-])c1ccccc1Cl	ZINC001185436823	810264827	/nfs/dbraw/zinc/26/48/27/810264827.db2.gz	XCMHSUFEVRQNCX-UHFFFAOYSA-N	-1	0	292.766	3.065	20	30		CGEDRM
Cn1ccc2cc(NC(=O)c3cccc(C#N)c3[O-])ccc21	ZINC001193646170	810927708	/nfs/dbraw/zinc/92/77/08/810927708.db2.gz	DLWZUFHBWAYWCV-UHFFFAOYSA-N	-1	0	291.310	3.008	20	30		CGEDRM
CCC(CC)COC(=O)Nc1scc([O-])c1C#N	ZINC001194685029	811107198	/nfs/dbraw/zinc/10/71/98/811107198.db2.gz	JEOAEKMXYYPZDJ-UHFFFAOYSA-N	-1	0	268.338	3.310	20	30		CGEDRM
CCOC(=O)NC(=S)[N-]c1c(C#N)ccc2ccccc21	ZINC001195483206	811260404	/nfs/dbraw/zinc/26/04/04/811260404.db2.gz	URZNMGQYBQBHBI-UHFFFAOYSA-N	-1	0	299.355	3.154	20	30		CGEDRM
Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2[O-])cc1C	ZINC001195758753	811287821	/nfs/dbraw/zinc/28/78/21/811287821.db2.gz	RNZHNEQMPSUQAC-UHFFFAOYSA-N	-1	0	280.327	3.441	20	30		CGEDRM
COc1cnc(C(=O)[N-]c2sc3ccccc3c2C#N)o1	ZINC001195793444	811293317	/nfs/dbraw/zinc/29/33/17/811293317.db2.gz	REEQBRJPJKJOJO-UHFFFAOYSA-N	-1	0	299.311	3.022	20	30		CGEDRM
C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001198314559	811491308	/nfs/dbraw/zinc/49/13/08/811491308.db2.gz	GDYOIBASWIGVHY-UHFFFAOYSA-N	-1	0	288.372	3.224	20	30		CGEDRM
CCCCCCNC(=S)Nc1cc(C#N)c(F)cc1[O-]	ZINC001200957592	811774625	/nfs/dbraw/zinc/77/46/25/811774625.db2.gz	VSJZZOLUXXRLMS-UHFFFAOYSA-N	-1	0	295.383	3.270	20	30		CGEDRM
Cc1c(C)c(Nc2cc(C#N)c(F)cc2[O-])ccc1CO	ZINC001215247947	815499140	/nfs/dbraw/zinc/49/91/40/815499140.db2.gz	ZUGCHALMFBHEQX-UHFFFAOYSA-N	-1	0	286.306	3.256	20	30		CGEDRM
CC(C)(C)n1ncc(C#N)c1Nc1ccsc1C(=O)[O-]	ZINC001215383744	815513917	/nfs/dbraw/zinc/51/39/17/815513917.db2.gz	MNJWWKGAGHWCMJ-UHFFFAOYSA-N	-1	0	290.348	3.013	20	30		CGEDRM
Cc1oc(Nc2ccc(C(=O)[O-])cc2F)c(C#N)c1C	ZINC001203286143	812293209	/nfs/dbraw/zinc/29/32/09/812293209.db2.gz	JFVXAQRJWBJLOB-UHFFFAOYSA-N	-1	0	274.251	3.349	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC001203293478	812297917	/nfs/dbraw/zinc/29/79/17/812297917.db2.gz	OQTPVWIKDVSINO-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
COc1cc(C#N)cc(Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001203299391	812301315	/nfs/dbraw/zinc/30/13/15/812301315.db2.gz	MBFFWJYUNQQVCM-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])cc1F	ZINC001203299656	812301624	/nfs/dbraw/zinc/30/16/24/812301624.db2.gz	SGHVYDHYRHNHEL-UHFFFAOYSA-N	-1	0	292.216	3.417	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C)n1	ZINC001203376422	812332049	/nfs/dbraw/zinc/33/20/49/812332049.db2.gz	LFBFZOZMGAXFPG-UHFFFAOYSA-N	-1	0	257.268	3.158	20	30		CGEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(C#N)c(F)c1	ZINC001203674064	812426048	/nfs/dbraw/zinc/42/60/48/812426048.db2.gz	HZVXWKVFTORDTM-UHFFFAOYSA-N	-1	0	277.255	3.219	20	30		CGEDRM
C#Cc1ccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)cn1	ZINC001215695579	815560079	/nfs/dbraw/zinc/56/00/79/815560079.db2.gz	FPKRJVOUCGGKHN-UHFFFAOYSA-N	-1	0	290.681	3.297	20	30		CGEDRM
Cc1cc(-c2ccsc2C(=O)[O-])ccc1CC#N	ZINC001205585895	813013603	/nfs/dbraw/zinc/01/36/03/813013603.db2.gz	KKTNIRLGYRJQML-UHFFFAOYSA-N	-1	0	257.314	3.488	20	30		CGEDRM
N#Cc1cc(C#N)cc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC001206045635	813181061	/nfs/dbraw/zinc/18/10/61/813181061.db2.gz	WCILPXZPUIQTSK-UHFFFAOYSA-N	-1	0	284.221	3.073	20	30		CGEDRM
Cc1cccc(Nc2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001209889541	814189782	/nfs/dbraw/zinc/18/97/82/814189782.db2.gz	ORUJCEJCJQSWFW-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
N#Cc1cc(F)c(Nc2cccc(CC(=O)[O-])c2)cc1F	ZINC001210070856	814273580	/nfs/dbraw/zinc/27/35/80/814273580.db2.gz	MIDJVUURPNEQHY-UHFFFAOYSA-N	-1	0	288.253	3.207	20	30		CGEDRM
Cc1noc([N-]c2cnccc2C(F)(F)F)c1C#N	ZINC001210090929	814282290	/nfs/dbraw/zinc/28/22/90/814282290.db2.gz	GPPNOXSACLNIGI-UHFFFAOYSA-N	-1	0	268.198	3.012	20	30		CGEDRM
N#Cc1cccc(Cl)c1Nc1ccc(C(=O)[O-])nc1	ZINC001210178173	814323201	/nfs/dbraw/zinc/32/32/01/814323201.db2.gz	SRFJLYVBPCXAFC-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
C#Cc1ccccc1Nc1cccc(C(=O)[O-])c1F	ZINC001210241659	814361362	/nfs/dbraw/zinc/36/13/62/814361362.db2.gz	OKLXGKXFQANVQP-UHFFFAOYSA-N	-1	0	255.248	3.249	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1Nc1ccsc1C#N	ZINC001210254560	814368317	/nfs/dbraw/zinc/36/83/17/814368317.db2.gz	IGHJHHXNIDMUAI-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
C#Cc1cc(Nc2cc(C(=O)[O-])ccc2OC)ccc1F	ZINC001210258908	814370745	/nfs/dbraw/zinc/37/07/45/814370745.db2.gz	NMKGPXOZNKGAGG-UHFFFAOYSA-N	-1	0	285.274	3.257	20	30		CGEDRM
Cc1cc(C#N)c(F)cc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210398476	814444500	/nfs/dbraw/zinc/44/45/00/814444500.db2.gz	ZOFBSVUCGUOOGO-UHFFFAOYSA-N	-1	0	287.250	3.363	20	30		CGEDRM
N#CCc1ccccc1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210399645	814445857	/nfs/dbraw/zinc/44/58/57/814445857.db2.gz	XFNYLBGDIBEJOR-UHFFFAOYSA-N	-1	0	269.260	3.110	20	30		CGEDRM
N#Cc1cc2c(ccn2-c2cccc([S-])c2)c(N)c1	ZINC001210949778	814688529	/nfs/dbraw/zinc/68/85/29/814688529.db2.gz	HMWYXIFDGJNSJV-UHFFFAOYSA-N	-1	0	265.341	3.373	20	30		CGEDRM
COc1c(Nc2ccc(F)cc2C#N)cccc1C(=O)[O-]	ZINC001211036673	814713802	/nfs/dbraw/zinc/71/38/02/814713802.db2.gz	KHQQCSHYWGSCGY-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1cc(Nc2ccc(C#N)cc2F)cc(C(=O)[O-])c1	ZINC001211542455	814903979	/nfs/dbraw/zinc/90/39/79/814903979.db2.gz	KBCRRMGKFZNVNY-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(C(=O)[O-])cc(-n2cc(C#N)c3cc(N)ccc32)c1	ZINC001211547393	814905667	/nfs/dbraw/zinc/90/56/67/814905667.db2.gz	NTUXBOYAWDSURD-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
Cc1cc(-c2noc(-c3ccc(F)cc3[O-])n2)ccc1C#N	ZINC001215932332	815635260	/nfs/dbraw/zinc/63/52/60/815635260.db2.gz	XILUEJNDBSODGM-UHFFFAOYSA-N	-1	0	295.273	3.428	20	30		CGEDRM
N#Cc1ccc(-c2cc(Cl)c([O-])c(Cl)c2)nn1	ZINC001242850540	823152748	/nfs/dbraw/zinc/15/27/48/823152748.db2.gz	MZTFBISXRMBLGN-UHFFFAOYSA-N	-1	0	266.087	3.028	20	30		CGEDRM
Cc1c(Nc2cccc(C#N)c2)cccc1C(=O)[O-]	ZINC001216660001	815887455	/nfs/dbraw/zinc/88/74/55/815887455.db2.gz	BQQPNSUIIDECFI-UHFFFAOYSA-N	-1	0	252.273	3.309	20	30		CGEDRM
C#Cc1ccccc1Nc1cccc(C(=O)[O-])c1C	ZINC001216661353	815889223	/nfs/dbraw/zinc/88/92/23/815889223.db2.gz	GKKNJPYTTGPYIW-UHFFFAOYSA-N	-1	0	251.285	3.418	20	30		CGEDRM
C#Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1	ZINC001216681754	815892084	/nfs/dbraw/zinc/89/20/84/815892084.db2.gz	LGUMGAYNWLUTMA-UHFFFAOYSA-N	-1	0	269.275	3.178	20	30		CGEDRM
Cc1cccc(-c2noc(-c3ccc(C#N)cc3[O-])n2)c1	ZINC001217038570	815906571	/nfs/dbraw/zinc/90/65/71/815906571.db2.gz	CCBPSQYAGXYKLY-UHFFFAOYSA-N	-1	0	277.283	3.289	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc([S-])c2)cc1CC#N	ZINC001242867670	823159514	/nfs/dbraw/zinc/15/95/14/823159514.db2.gz	MULDWJTWXLVVIJ-UHFFFAOYSA-N	-1	0	283.352	3.495	20	30		CGEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1ccccc1C(=O)[O-]	ZINC001242878086	823161801	/nfs/dbraw/zinc/16/18/01/823161801.db2.gz	WAZLGSWXKBPWPX-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
N#CC1(c2ccnc(-c3ccccc3C(=O)[O-])c2)CC1	ZINC001242878620	823161994	/nfs/dbraw/zinc/16/19/94/823161994.db2.gz	JZUXCOFOUODOML-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
Cc1cc(C#N)cc(C)c1-c1ccccc1S(=O)(=O)[O-]	ZINC001222649051	816490039	/nfs/dbraw/zinc/49/00/39/816490039.db2.gz	WGNLDIGODXAYMN-UHFFFAOYSA-N	-1	0	287.340	3.089	20	30		CGEDRM
C#C[C@@H](C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-]	ZINC001222938446	816538143	/nfs/dbraw/zinc/53/81/43/816538143.db2.gz	HREHWUJWCNSXIJ-QOYDFYKXSA-N	-1	0	273.666	3.149	20	30		CGEDRM
C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)C(F)(F)F	ZINC001223888701	816697601	/nfs/dbraw/zinc/69/76/01/816697601.db2.gz	QYMCHKDRCLOKIN-ALOUDIDISA-N	-1	0	269.169	3.068	20	30		CGEDRM
CCC[C@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223891931	816698908	/nfs/dbraw/zinc/69/89/08/816698908.db2.gz	WHHQUOXOECYARG-PQJBRBTKSA-N	-1	0	267.325	3.045	20	30		CGEDRM
COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2C[C@@H]3CC[C@H]2C3)c1	ZINC001223891661	816699142	/nfs/dbraw/zinc/69/91/42/816699142.db2.gz	PIPOVWFOBCQYHC-UCMFOXPPSA-N	-1	0	291.347	3.045	20	30		CGEDRM
Cc1cc(=O)c(C#N)c(O[C@@H]2CCc3cccc(C)c32)[nH]1	ZINC001225466727	817061388	/nfs/dbraw/zinc/06/13/88/817061388.db2.gz	GKVWRLQOBICBRM-OAHLLOKOSA-N	-1	0	280.327	3.342	20	30		CGEDRM
C=C[C@H](C#CC(C)(C)C)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225494709	817074455	/nfs/dbraw/zinc/07/44/55/817074455.db2.gz	VNOTZUAGEWZHDF-GFCCVEGCSA-N	-1	0	275.304	3.283	20	30		CGEDRM
C#C[C@H]1CCC[C@H]1Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225884933	817205867	/nfs/dbraw/zinc/20/58/67/817205867.db2.gz	JFZKEOYOOWJRRJ-NKWVEPMBSA-N	-1	0	274.213	3.129	20	30		CGEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)ncc1F	ZINC001225886205	817206518	/nfs/dbraw/zinc/20/65/18/817206518.db2.gz	UQZRWANUHDNBKQ-JFGNBEQYSA-N	-1	0	266.316	3.081	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccc(F)c(F)c2)c1C#N	ZINC001226222785	817301932	/nfs/dbraw/zinc/30/19/32/817301932.db2.gz	HFQRYERBYWCFJY-VIFPVBQESA-N	-1	0	290.269	3.386	20	30		CGEDRM
C=C[C@H](CCCC)Oc1c(O)ccc(C(C)=O)c1O	ZINC001226483326	817372024	/nfs/dbraw/zinc/37/20/24/817372024.db2.gz	VXROBMUQOSWYBF-LLVKDONJSA-N	-1	0	264.321	3.424	20	30		CGEDRM
N#Cc1cccc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1	ZINC001243153752	823266469	/nfs/dbraw/zinc/26/64/69/823266469.db2.gz	TVMLIPFSYAESQM-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
C=C[C@H](C)Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl	ZINC001227634269	817686247	/nfs/dbraw/zinc/68/62/47/817686247.db2.gz	OJFOJYBXSHHDPS-LURJTMIESA-N	-1	0	297.159	3.193	20	30		CGEDRM
CC#CC[C@@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227745244	817710523	/nfs/dbraw/zinc/71/05/23/817710523.db2.gz	LGIPRSWQSILVBW-LLVKDONJSA-N	-1	0	273.292	3.042	20	30		CGEDRM
C[N@H+](Cc1cc(C#N)ccc1[O-])Cc1cccc(F)c1F	ZINC001232678355	818416755	/nfs/dbraw/zinc/41/67/55/818416755.db2.gz	WIXADJMETKMLIX-UHFFFAOYSA-N	-1	0	288.297	3.174	20	30		CGEDRM
N#Cc1c[nH]c2ncc(-c3cc(Cl)cc(C(=O)[O-])c3)cc12	ZINC001243324086	823347830	/nfs/dbraw/zinc/34/78/30/823347830.db2.gz	ATUYLKFBGHESQU-UHFFFAOYSA-N	-1	0	297.701	3.453	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc([O-])c(F)c1F	ZINC001243341422	823355276	/nfs/dbraw/zinc/35/52/76/823355276.db2.gz	LNIFQVYYVPVONW-UHFFFAOYSA-N	-1	0	287.269	3.268	20	30		CGEDRM
C[C@H](Oc1ccccc1C(=O)CC#N)C1=CC=C[CH]1	ZINC001233523597	818632604	/nfs/dbraw/zinc/63/26/04/818632604.db2.gz	CPJQJUONOPXRQA-LBPRGKRZSA-N	-1	0	252.293	3.251	20	30		CGEDRM
N#Cc1ccc(-c2ccc([O-])c(F)c2F)c(C#N)c1	ZINC001243342590	823356983	/nfs/dbraw/zinc/35/69/83/823356983.db2.gz	JNLZXAGWPXLUCO-UHFFFAOYSA-N	-1	0	256.211	3.081	20	30		CGEDRM
C=C[C@@H](CCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832737	818714355	/nfs/dbraw/zinc/71/43/55/818714355.db2.gz	FXOZKVOFCKYICZ-NSHDSACASA-N	-1	0	260.289	3.232	20	30		CGEDRM
CC[C@H]1CC[C@H](Oc2[n-]c(=O)cc(C)c2C#N)CC1	ZINC001233919406	818729867	/nfs/dbraw/zinc/72/98/67/818729867.db2.gz	MYUOCUFVZROPBG-HAQNSBGRSA-N	-1	0	260.337	3.315	20	30		CGEDRM
C=CCC[C@@H](CC)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234336246	818839244	/nfs/dbraw/zinc/83/92/44/818839244.db2.gz	QJWDPABHRMTFON-LLVKDONJSA-N	-1	0	286.264	3.282	20	30		CGEDRM
C#CC[C@@H](C)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234411929	818849277	/nfs/dbraw/zinc/84/92/77/818849277.db2.gz	LJCIFKGYHSMFEZ-MRVPVSSYSA-N	-1	0	296.248	3.145	20	30		CGEDRM
CC[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(C)(C)C	ZINC001234512037	818869727	/nfs/dbraw/zinc/86/97/27/818869727.db2.gz	ZGULYROMNQVJRS-GFCCVEGCSA-N	-1	0	285.347	3.411	20	30		CGEDRM
CCC[C@@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(C)C	ZINC001234529156	818874750	/nfs/dbraw/zinc/87/47/50/818874750.db2.gz	CDAUDAPOFDZJLB-CQSZACIVSA-N	-1	0	285.347	3.411	20	30		CGEDRM
[O-]N=Cc1ccccc1OC1CCC(F)(F)CC1	ZINC001234823058	818927692	/nfs/dbraw/zinc/92/76/92/818927692.db2.gz	QPRKIKAQAZVUHF-UHFFFAOYSA-N	-1	0	255.264	3.451	20	30		CGEDRM
Cc1c(Cl)c(-c2ccc(C#N)nc2)ccc1C(=O)[O-]	ZINC001236119113	819328167	/nfs/dbraw/zinc/32/81/67/819328167.db2.gz	AIVSRMJEQOCAED-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1c(Cl)c(-c2ccnc(C#N)c2)ccc1C(=O)[O-]	ZINC001236120582	819329033	/nfs/dbraw/zinc/32/90/33/819329033.db2.gz	MLAPZNKAECZLCG-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(C(=O)[O-])cc1F	ZINC001239247066	820239584	/nfs/dbraw/zinc/23/95/84/820239584.db2.gz	LETRGVBHTMNHJE-UHFFFAOYSA-N	-1	0	297.289	3.122	20	30		CGEDRM
N#Cc1c(F)cc(-c2ccccc2C(=O)[O-])cc1F	ZINC001239922194	820701211	/nfs/dbraw/zinc/70/12/11/820701211.db2.gz	TWXBSENKORCWMK-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1c[nH]c2cc(-c3cccc(C=CC(=O)[O-])c3)cnc12	ZINC001240551244	821137799	/nfs/dbraw/zinc/13/77/99/821137799.db2.gz	RHZYKTMCYUKWJB-SNAWJCMRSA-N	-1	0	289.294	3.199	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2OC)ccc1CC#N	ZINC001240735369	821287619	/nfs/dbraw/zinc/28/76/19/821287619.db2.gz	WHDXNHNMAWXOCW-UHFFFAOYSA-N	-1	0	297.310	3.135	20	30		CGEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])s1)CCCC2	ZINC001240843080	821363844	/nfs/dbraw/zinc/36/38/44/821363844.db2.gz	DWBNURURRXWPTF-UHFFFAOYSA-N	-1	0	284.340	3.259	20	30		CGEDRM
COc1cc(-c2ccc(C(=O)[O-])c(F)c2)cc(F)c1C#N	ZINC001241186878	821623896	/nfs/dbraw/zinc/62/38/96/821623896.db2.gz	JYCMMSWEJDVLNF-UHFFFAOYSA-N	-1	0	289.237	3.210	20	30		CGEDRM
Cc1cc(C#N)c(-c2ccc(F)c(C(=O)[O-])c2)nc1C	ZINC001241243562	821664927	/nfs/dbraw/zinc/66/49/27/821664927.db2.gz	LEXDAWRJRCBBII-UHFFFAOYSA-N	-1	0	270.263	3.074	20	30		CGEDRM
N#Cc1c(F)ccc(-c2ccc(F)c(C(=O)[O-])c2)c1F	ZINC001241247407	821668975	/nfs/dbraw/zinc/66/89/75/821668975.db2.gz	SJGUZQQUMVFIGK-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
Cc1ccnc(-c2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC001241345317	821749692	/nfs/dbraw/zinc/74/96/92/821749692.db2.gz	GTGWXEBMDFTWTL-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
Cc1ccc(C#N)nc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241345792	821749831	/nfs/dbraw/zinc/74/98/31/821749831.db2.gz	QDSUHSARMWTJMB-UHFFFAOYSA-N	-1	0	272.691	3.280	20	30		CGEDRM
N#CC1(c2ccc(-c3cncc(C(=O)[O-])c3)cc2)CC1	ZINC001241801449	822150304	/nfs/dbraw/zinc/15/03/04/822150304.db2.gz	LAMONRCXLNQDCL-UHFFFAOYSA-N	-1	0	264.284	3.002	20	30		CGEDRM
N#Cc1c2c(cnc1-c1cc(F)cc(C(=O)[O-])c1)CCCC2	ZINC001241821466	822163072	/nfs/dbraw/zinc/16/30/72/822163072.db2.gz	SNYZZWDJPFACLD-UHFFFAOYSA-N	-1	0	296.301	3.336	20	30		CGEDRM
Cc1cnc(-c2cc(C(F)(F)F)ccc2[O-])c(C#N)n1	ZINC001242131614	822888285	/nfs/dbraw/zinc/88/82/85/822888285.db2.gz	HPEHONWJMZPBCG-UHFFFAOYSA-N	-1	0	279.221	3.048	20	30		CGEDRM
COc1cc(C#N)cnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242151867	822896202	/nfs/dbraw/zinc/89/62/02/822896202.db2.gz	WVOLSHBMXINXTE-UHFFFAOYSA-N	-1	0	294.232	3.353	20	30		CGEDRM
Cc1cc(-c2cc(C(=O)[O-])cc(F)c2C)nc(C)c1C#N	ZINC001242209290	822910632	/nfs/dbraw/zinc/91/06/32/822910632.db2.gz	CSCFFNSXJSVPLW-UHFFFAOYSA-N	-1	0	284.290	3.383	20	30		CGEDRM
N#CCCc1cccc(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242262924	822929700	/nfs/dbraw/zinc/92/97/00/822929700.db2.gz	XFTFRBYRSGJMSS-UHFFFAOYSA-N	-1	0	265.312	3.437	20	30		CGEDRM
Cc1cc(C#N)cc(-c2nc[n-]c3nc(=S)sc2-3)c1	ZINC001242477181	823006020	/nfs/dbraw/zinc/00/60/20/823006020.db2.gz	RZUDAVIOAKCCSQ-UHFFFAOYSA-N	-1	0	284.369	3.222	20	30		CGEDRM
CC(C)(C)c1ccnc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562527	823032746	/nfs/dbraw/zinc/03/27/46/823032746.db2.gz	CDQYBGXXYAKTLO-UHFFFAOYSA-N	-1	0	253.305	3.018	20	30		CGEDRM
Cc1coc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC001344571718	936538953	/nfs/dbraw/zinc/53/89/53/936538953.db2.gz	SWPPAHOLWHHLQX-SNVBAGLBSA-N	-1	0	272.329	3.412	20	30		CGEDRM
C=CCC[C@H]1CCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001345795660	936825538	/nfs/dbraw/zinc/82/55/38/936825538.db2.gz	HCRDBNZBBJKQBW-AWEZNQCLSA-N	-1	0	287.359	3.264	20	30		CGEDRM
CC(C)c1[nH]ccc1C([O-])=C(C#N)c1ncc(F)cc1F	ZINC001350354025	936989049	/nfs/dbraw/zinc/98/90/49/936989049.db2.gz	POIPZGYKRJMVFA-NSHDSACASA-N	-1	0	289.285	3.301	20	30		CGEDRM
C=C(C)COc1cccc(NC2CC(CC(=O)[O-])C2)c1	ZINC001350620767	936996107	/nfs/dbraw/zinc/99/61/07/936996107.db2.gz	GNBYKBZQMJNEGM-UHFFFAOYSA-N	-1	0	275.348	3.307	20	30		CGEDRM
N#Cc1cccc(O[N-]C(=O)C/C=C\c2ccc(F)cc2)c1	ZINC001454683424	937410978	/nfs/dbraw/zinc/41/09/78/937410978.db2.gz	PTPJTVYNDWRQJJ-IHWYPQMZSA-N	-1	0	296.301	3.211	20	30		CGEDRM
COc1ccc([C@H](Oc2[n-]c(=O)ccc2C#N)C(C)C)cc1	ZINC001228901107	932047907	/nfs/dbraw/zinc/04/79/07/932047907.db2.gz	JJYWENZNBDJRFK-MRXNPFEDSA-N	-1	0	298.342	3.444	20	30		CGEDRM
C#C[C@H](CC)Oc1ccc2c(c1)oc1cc(O)ccc1c2=O	ZINC001229516848	932164330	/nfs/dbraw/zinc/16/43/30/932164330.db2.gz	KJABMIMUKVIERP-GFCCVEGCSA-N	-1	0	294.306	3.442	20	30		CGEDRM
C=CC(C=C)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230887330	932636492	/nfs/dbraw/zinc/63/64/92/932636492.db2.gz	YNJSBZLDSRNACT-UHFFFAOYSA-N	-1	0	262.696	3.108	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1c([O-])cc(F)cc1F	ZINC001306891888	932891202	/nfs/dbraw/zinc/89/12/02/932891202.db2.gz	VCNVVCJAGCDYEL-UHFFFAOYSA-N	-1	0	283.318	3.393	20	30		CGEDRM
C=C[C@@H](C(=O)[N-]OCc1ccccc1)c1ccccc1	ZINC001463935608	937683131	/nfs/dbraw/zinc/68/31/31/937683131.db2.gz	SHKWVMVGZRUOQH-MRXNPFEDSA-N	-1	0	267.328	3.204	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\C=C(Cl)Cl)c1	ZINC001466537012	937709906	/nfs/dbraw/zinc/70/99/06/937709906.db2.gz	OYEJQTHVMKSJNO-IWQZZHSRSA-N	-1	0	283.114	3.078	20	30		CGEDRM
C=CC[C@H](c1nc(C2(C(=O)[O-])CCC2)no1)c1ccccc1	ZINC001602718161	971372628	/nfs/dbraw/zinc/37/26/28/971372628.db2.gz	DXCOHJZLZRGKIT-ZDUSSCGKSA-N	-1	0	298.342	3.284	20	30		CGEDRM
CCCCCCCCC(=O)Nc1ncccc1C(=O)[O-]	ZINC000110991059	949225466	/nfs/dbraw/zinc/22/54/66/949225466.db2.gz	RHZMVIVVAVMATO-UHFFFAOYSA-N	-1	0	278.352	3.469	20	30		CGEDRM
Cc1ccc(OCCCC(C)(C)C#N)cc1C(=O)[O-]	ZINC000389043358	972204066	/nfs/dbraw/zinc/20/40/66/972204066.db2.gz	GJISIZQOEWCUCJ-UHFFFAOYSA-N	-1	0	261.321	3.402	20	30		CGEDRM
N#Cc1ccc(COc2ccc(C(=O)[O-])cc2Cl)cc1	ZINC000013084744	956933841	/nfs/dbraw/zinc/93/38/41/956933841.db2.gz	XALBNPCXCWFHOS-UHFFFAOYSA-N	-1	0	287.702	3.489	20	30		CGEDRM
N#Cc1cc(N2CCC[C@@H]2CC(=O)[O-])ccc1C(F)(F)F	ZINC000163848680	959249812	/nfs/dbraw/zinc/24/98/12/959249812.db2.gz	SIPDEOASESTKRF-SNVBAGLBSA-N	-1	0	298.264	3.021	20	30		CGEDRM
C[C@@H](OCCOc1cccc(C#N)c1)C1=CC=C[CH]1	ZINC001224311577	960405301	/nfs/dbraw/zinc/40/53/01/960405301.db2.gz	FPXQRFQYLUDNRT-CYBMUJFWSA-N	-1	0	254.309	3.043	20	30		CGEDRM
CCC1(CNc2ccc(C(=O)[O-])nc2C#N)CCCC1	ZINC001595379674	960532688	/nfs/dbraw/zinc/53/26/88/960532688.db2.gz	OEOIWGYFSIFYSL-UHFFFAOYSA-N	-1	0	273.336	3.034	20	30		CGEDRM
C=CCCCCOc1c(CC(=O)[O-])cccc1OC	ZINC001602869212	960552508	/nfs/dbraw/zinc/55/25/08/960552508.db2.gz	BHODSBQCMLNMRH-UHFFFAOYSA-N	-1	0	264.321	3.057	20	30		CGEDRM
C#CCCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC000236463370	960637155	/nfs/dbraw/zinc/63/71/55/960637155.db2.gz	AWRUHMLYFWMCLJ-UHFFFAOYSA-N	-1	0	291.372	3.067	20	30		CGEDRM
CC(C)Oc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC001569407690	961758914	/nfs/dbraw/zinc/75/89/14/961758914.db2.gz	YICLBJCMBRCPBA-UHFFFAOYSA-N	-1	0	296.326	3.303	20	30		CGEDRM
C=CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1	ZINC001569991870	961884061	/nfs/dbraw/zinc/88/40/61/961884061.db2.gz	NZGYNTHPRBIPFA-UHFFFAOYSA-N	-1	0	298.298	3.133	20	30		CGEDRM
C=COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC001570210083	961932160	/nfs/dbraw/zinc/93/21/60/961932160.db2.gz	KLWMJUVNXFWVBF-UHFFFAOYSA-N	-1	0	280.283	3.038	20	30		CGEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC001573330018	962245447	/nfs/dbraw/zinc/24/54/47/962245447.db2.gz	RZKJFIINFWYMET-OCCSQVGLSA-N	-1	0	287.359	3.194	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC001588605240	962907030	/nfs/dbraw/zinc/90/70/30/962907030.db2.gz	DZYLTCQVBKHJLF-INIZCTEOSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C#CC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C1	ZINC001588433656	963266280	/nfs/dbraw/zinc/26/62/80/963266280.db2.gz	BLUVQFGQXJTVMW-ZDUSSCGKSA-N	-1	0	288.391	3.072	20	30		CGEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC001588530280	963274153	/nfs/dbraw/zinc/27/41/53/963274153.db2.gz	YCRQYEQEAYGHBJ-CQSZACIVSA-N	-1	0	295.423	3.376	20	30		CGEDRM
C#CCN([C@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1	ZINC001588464099	963274745	/nfs/dbraw/zinc/27/47/45/963274745.db2.gz	VLBINSJHHXQDRW-LLVKDONJSA-N	-1	0	292.404	3.170	20	30		CGEDRM
C#Cc1cccc(Nc2nc(C(C)(C)C(=O)[O-])cs2)c1	ZINC001588524737	963278334	/nfs/dbraw/zinc/27/83/34/963278334.db2.gz	SNQMGEVFOCJSQN-UHFFFAOYSA-N	-1	0	286.356	3.230	20	30		CGEDRM
C#Cc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1	ZINC001588517194	963279233	/nfs/dbraw/zinc/27/92/33/963279233.db2.gz	OKBRODBWCXEGCC-UHFFFAOYSA-N	-1	0	265.312	3.287	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(CC(C)C)s1)C(=O)[O-]	ZINC001588547323	963282580	/nfs/dbraw/zinc/28/25/80/963282580.db2.gz	XRCIEMVBJDWSLS-GFCCVEGCSA-N	-1	0	295.404	3.096	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1c(F)cccc1C(=O)[O-]	ZINC001588536307	963284347	/nfs/dbraw/zinc/28/43/47/963284347.db2.gz	QQQMAFCFYIGILJ-SECBINFHSA-N	-1	0	265.284	3.065	20	30		CGEDRM
C=C(C)CC[C@H](C)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588559632	963286240	/nfs/dbraw/zinc/28/62/40/963286240.db2.gz	PRSZLBOHYQPJLR-AVGNSLFASA-N	-1	0	268.353	3.165	20	30		CGEDRM
C=C(C)CCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O	ZINC001588559152	963288118	/nfs/dbraw/zinc/28/81/18/963288118.db2.gz	JOIBDBFNEGZLNK-UHFFFAOYSA-N	-1	0	283.711	3.039	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CCC(C)C	ZINC001588621321	963291735	/nfs/dbraw/zinc/29/17/35/963291735.db2.gz	CCZWHJHVSXKRJG-ZIAGYGMSSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=C(CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588605232	963293707	/nfs/dbraw/zinc/29/37/07/963293707.db2.gz	DSOAOWKXYGLMIO-OAHLLOKOSA-N	-1	0	289.375	3.148	20	30		CGEDRM
C=C(CCC(=O)[O-])C(=O)N1CC2(CCCCC2)[C@@H]1C(C)C	ZINC001588614371	963294408	/nfs/dbraw/zinc/29/44/08/963294408.db2.gz	SIOJNCZPSXQQFQ-HNNXBMFYSA-N	-1	0	293.407	3.225	20	30		CGEDRM
C=C[C@@H](C(=O)Nc1sccc1C(=O)[O-])c1ccccc1	ZINC001588662854	963301081	/nfs/dbraw/zinc/30/10/81/963301081.db2.gz	ACJAMNJCVRYXKK-LLVKDONJSA-N	-1	0	287.340	3.355	20	30		CGEDRM
C=C[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588719841	963302459	/nfs/dbraw/zinc/30/24/59/963302459.db2.gz	YZZJEAIJWFQRDY-SNVBAGLBSA-N	-1	0	280.349	3.019	20	30		CGEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C	ZINC001588713078	963305231	/nfs/dbraw/zinc/30/52/31/963305231.db2.gz	QMELXBIMHIPFAJ-LBPRGKRZSA-N	-1	0	262.305	3.142	20	30		CGEDRM
C=CC[C@@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)[O-]	ZINC001588759619	963310679	/nfs/dbraw/zinc/31/06/79/963310679.db2.gz	XVRVJGWJANMXSF-LLVKDONJSA-N	-1	0	290.344	3.166	20	30		CGEDRM
C=CC[C@@H](SCc1cccc(F)c1F)C(=O)[O-]	ZINC001588759283	963311794	/nfs/dbraw/zinc/31/17/94/963311794.db2.gz	RLJDGVULVAEYIJ-SNVBAGLBSA-N	-1	0	258.289	3.227	20	30		CGEDRM
C=CCC[C@H](C)OC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588777723	963316601	/nfs/dbraw/zinc/31/66/01/963316601.db2.gz	HREQEVUAUWGDAZ-JQRITLKVSA-N	-1	0	280.364	3.310	20	30		CGEDRM
C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588781859	963316759	/nfs/dbraw/zinc/31/67/59/963316759.db2.gz	KBLZTROYZALJSC-LLVKDONJSA-N	-1	0	294.376	3.409	20	30		CGEDRM
C=CCCC[C@@H](NC(=O)C1(CC(C)C)CCC1)C(=O)[O-]	ZINC001588790266	963317394	/nfs/dbraw/zinc/31/73/94/963317394.db2.gz	UMTVDKIZVDVKKZ-CYBMUJFWSA-N	-1	0	281.396	3.129	20	30		CGEDRM
C=CCCC[C@H](NC(=O)[C@H](F)CC1CCCCC1)C(=O)[O-]	ZINC001588786973	963318506	/nfs/dbraw/zinc/31/85/06/963318506.db2.gz	SAWDJDDTCXYUHR-KGLIPLIRSA-N	-1	0	299.386	3.221	20	30		CGEDRM
C=CCCc1ccccc1N[C@H](C)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588817550	963319827	/nfs/dbraw/zinc/31/98/27/963319827.db2.gz	LQURDDPOHWNMPD-KWCYVHTRSA-N	-1	0	259.349	3.326	20	30		CGEDRM
C=CCN(Cc1cc(C(=O)[O-])c(C)[nH]1)c1ccccc1	ZINC001588829193	963320642	/nfs/dbraw/zinc/32/06/42/963320642.db2.gz	IBHULICFNQHSES-UHFFFAOYSA-N	-1	0	270.332	3.214	20	30		CGEDRM
C/C(=C\CSc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC001588991506	963334666	/nfs/dbraw/zinc/33/46/66/963334666.db2.gz	XKZGDCIOGYLTFA-XBXARRHUSA-N	-1	0	267.737	3.335	20	30		CGEDRM
CC(=NNc1cc(F)c(F)cc1F)c1cc(C(=O)[O-])co1	ZINC001589016777	963344822	/nfs/dbraw/zinc/34/48/22/963344822.db2.gz	HTSGEXQWHLRXDH-UHFFFAOYSA-N	-1	0	298.220	3.231	20	30		CGEDRM
N#Cc1cc(Cl)cc(OCc2ccc(C(=O)[O-])o2)c1	ZINC000311800424	963512207	/nfs/dbraw/zinc/51/22/07/963512207.db2.gz	NJNCOPWHNKQHJY-UHFFFAOYSA-N	-1	0	277.663	3.082	20	30		CGEDRM
C[C@H](Nc1cccc(CC#N)c1)c1ncc(C(=O)[O-])s1	ZINC000315443060	963901969	/nfs/dbraw/zinc/90/19/69/963901969.db2.gz	ZMPGJNMCKMGKEU-VIFPVBQESA-N	-1	0	287.344	3.080	20	30		CGEDRM
C#CCCCCC(=O)Oc1cc(CC)ccc1C(=O)[O-]	ZINC001588440639	964042543	/nfs/dbraw/zinc/04/25/43/964042543.db2.gz	GBRZPLYFGYYWCW-UHFFFAOYSA-N	-1	0	274.316	3.046	20	30		CGEDRM
CCN(Cc1cccc(C(=O)[O-])c1Cl)C[C@@H](C)C#N	ZINC000394606462	972721613	/nfs/dbraw/zinc/72/16/13/972721613.db2.gz	ZFTNQRVFDJPAER-JTQLQIEISA-N	-1	0	280.755	3.020	20	30		CGEDRM
Cc1cc(NC(=O)c2cccc(C#N)c2C)ccc1C(=O)[O-]	ZINC001605212086	972953447	/nfs/dbraw/zinc/95/34/47/972953447.db2.gz	OKWFKPXXPRJCEU-UHFFFAOYSA-N	-1	0	294.310	3.126	20	30		CGEDRM
CC(C)c1ccc(NN=Cc2ccc(C(=O)[O-])[nH]2)cc1	ZINC001591969012	976567963	/nfs/dbraw/zinc/56/79/63/976567963.db2.gz	VUYMWMDCQZSDHA-UHFFFAOYSA-N	-1	0	271.320	3.282	20	30		CGEDRM
C[C@@H](CCC#N)CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC001592471922	978234765	/nfs/dbraw/zinc/23/47/65/978234765.db2.gz	WVYXAEZJIKXJIV-VIFPVBQESA-N	-1	0	266.728	3.390	20	30		CGEDRM
CC[C@](C/N=C\c1ccccc1O)(C(=O)[O-])c1ccccc1	ZINC001595130885	979545361	/nfs/dbraw/zinc/54/53/61/979545361.db2.gz	DPAOZQSYRFGWDC-GEBKJHSDSA-N	-1	0	297.354	3.244	20	30		CGEDRM
CC[C@H]1C[C@@H](CN=Nc2cccc(C(=O)[O-])c2F)CCO1	ZINC001595409305	981006736	/nfs/dbraw/zinc/00/67/36/981006736.db2.gz	VYJMCWSBZNVEPZ-QWRGUYRKSA-N	-1	0	294.326	3.127	20	30		CGEDRM
CCCC[C@@H](OC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001595649462	982006966	/nfs/dbraw/zinc/00/69/66/982006966.db2.gz	CMZOSBGQXHJBQX-GFCCVEGCSA-N	-1	0	281.352	3.037	20	30		CGEDRM
CCCCCCC[C@@H](C)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001595704797	982279803	/nfs/dbraw/zinc/27/98/03/982279803.db2.gz	HMZNVYBCTMHKOW-MGPQQGTHSA-N	-1	0	298.427	3.145	20	30		CGEDRM
CCOc1ccc(/C=N\[C@H](C[C@@H](C)CC)C(=O)[O-])c(O)c1	ZINC001597081234	986623879	/nfs/dbraw/zinc/62/38/79/986623879.db2.gz	DTUAEFMVGCTFAD-ZOZCTLSNSA-N	-1	0	293.363	3.099	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC001594722943	987218080	/nfs/dbraw/zinc/21/80/80/987218080.db2.gz	XVCHWTKOHKBLSO-UHFFFAOYSA-N	-1	0	299.330	3.135	20	30		CGEDRM
CC(C)(C)CCNN=C1CCC(CC(=O)[O-])CC1	ZINC001589776995	988141885	/nfs/dbraw/zinc/14/18/85/988141885.db2.gz	OKGICGKXHQWZEV-UHFFFAOYSA-N	-1	0	254.374	3.033	20	30		CGEDRM
CC(C)CCN(CCC#N)[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001591245322	992134919	/nfs/dbraw/zinc/13/49/19/992134919.db2.gz	MYMMQMWUYNVXPY-NSHDSACASA-N	-1	0	295.408	3.164	20	30		CGEDRM
COc1cccc([C@@H](Sc2cccc(C#N)c2)C(=O)[O-])c1	ZINC001599662412	994676281	/nfs/dbraw/zinc/67/62/81/994676281.db2.gz	ZUEHJXNVQDZBGO-OAHLLOKOSA-N	-1	0	299.351	3.485	20	30		CGEDRM
C[C@@]1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CC=CCC1	ZINC001593812794	996544586	/nfs/dbraw/zinc/54/45/86/996544586.db2.gz	JZZFMRQROSACSA-QGZVFWFLSA-N	-1	0	299.326	3.046	20	30		CGEDRM
COCCC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C(C)C	ZINC001599208289	997451768	/nfs/dbraw/zinc/45/17/68/997451768.db2.gz	MQZGJWHVJFYQNY-UHFFFAOYSA-N	-1	0	298.770	3.499	20	30		CGEDRM
COCC(N=Nc1cccc(F)c1C(=O)[O-])C1CCCC1	ZINC001599140973	998128579	/nfs/dbraw/zinc/12/85/79/998128579.db2.gz	HUFSVKXWXGFENK-UHFFFAOYSA-N	-1	0	294.326	3.128	20	30		CGEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC000006214065	232170065	/nfs/dbraw/zinc/17/00/65/232170065.db2.gz	VKECWIIQPSMNGK-UHFFFAOYSA-N	-1	0	292.747	3.012	20	30		CGEDRM
N#Cc1c(C(F)F)cccc1N1CCC[C@H](CC(=O)[O-])C1	ZINC000595965542	347373642	/nfs/dbraw/zinc/37/36/42/347373642.db2.gz	FUGUUWKMBSVVFX-SNVBAGLBSA-N	-1	0	294.301	3.187	20	30		CGEDRM
Cc1[n-]n([C@H](Cc2ccccc2)C(C)C)c(=O)c1CCC#N	ZINC000601959987	347929263	/nfs/dbraw/zinc/92/92/63/347929263.db2.gz	QLKOINYXRSXRTH-DLBZAZTESA-N	-1	0	297.402	3.392	20	30		CGEDRM
Cc1[n-]n(-c2ccc(C)cc2Cl)c(=O)c1CCC#N	ZINC000601933643	347925766	/nfs/dbraw/zinc/92/57/66/347925766.db2.gz	DPQDKFNHSGHAEZ-NSHDSACASA-N	-1	0	275.739	3.291	20	30		CGEDRM
C=CCC1(CNC(=O)c2cc(C(=O)[O-])oc2C)CCCC1	ZINC000630291356	350821145	/nfs/dbraw/zinc/82/11/45/350821145.db2.gz	AVLMIYAKYJZLRB-UHFFFAOYSA-N	-1	0	291.347	3.153	20	30		CGEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC000630327042	350824169	/nfs/dbraw/zinc/82/41/69/350824169.db2.gz	VMQJQEIOABBLGX-UONOGXRCSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C2(C#N)CC3(CC3)C2)c1	ZINC000633157030	351248835	/nfs/dbraw/zinc/24/88/35/351248835.db2.gz	JNMJMGQZFZFVHJ-UHFFFAOYSA-N	-1	0	298.342	3.007	20	30		CGEDRM
C=CCCC[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634914987	351604225	/nfs/dbraw/zinc/60/42/25/351604225.db2.gz	KCNSFBXAZMESMM-UKRRQHHQSA-N	-1	0	289.375	3.106	20	30		CGEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634927578	351605028	/nfs/dbraw/zinc/60/50/28/351605028.db2.gz	SWQQUJPQRBGCCE-UONOGXRCSA-N	-1	0	293.407	3.273	20	30		CGEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634927759	351605031	/nfs/dbraw/zinc/60/50/31/351605031.db2.gz	XZHRQTIHPHFDNM-OLZOCXBDSA-N	-1	0	281.396	3.129	20	30		CGEDRM
CC(C)(CCNc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000313916765	138587689	/nfs/dbraw/zinc/58/76/89/138587689.db2.gz	CRBMIJUFXOWZDG-UHFFFAOYSA-N	-1	0	283.331	3.019	20	30		CGEDRM
COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000041546225	369190709	/nfs/dbraw/zinc/19/07/09/369190709.db2.gz	LEQUGPYEBJPRQL-ZDUSSCGKSA-N	-1	0	292.294	3.326	20	30		CGEDRM
Cc1ccoc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000041554105	369191012	/nfs/dbraw/zinc/19/10/12/369191012.db2.gz	GIPFVOIDHFMGFF-JTQLQIEISA-N	-1	0	294.232	3.492	20	30		CGEDRM
C=CCCCCCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000153298385	371762213	/nfs/dbraw/zinc/76/22/13/371762213.db2.gz	ZKYLJJCANOYPHS-UHFFFAOYSA-N	-1	0	292.335	3.119	20	30		CGEDRM
N#CCCCNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000436823625	372840464	/nfs/dbraw/zinc/84/04/64/372840464.db2.gz	BZQKGRUYQVMMBD-UHFFFAOYSA-N	-1	0	288.734	3.232	20	30		CGEDRM
Cc1cscc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1	ZINC000175084577	373406370	/nfs/dbraw/zinc/40/63/70/373406370.db2.gz	RHVPJNRQHHLVLT-SNVBAGLBSA-N	-1	0	281.340	3.423	20	30		CGEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000316257615	374332425	/nfs/dbraw/zinc/33/24/25/374332425.db2.gz	FURSALUVLHYAGA-CQSZACIVSA-N	-1	0	290.363	3.351	20	30		CGEDRM
C=C[C@@](C)(CC)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000468101973	374978738	/nfs/dbraw/zinc/97/87/38/374978738.db2.gz	LYIOTXPTIIBPIC-HNNXBMFYSA-N	-1	0	287.388	3.168	20	30		CGEDRM
Cc1cccc(O)c1NC(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000335436981	375291595	/nfs/dbraw/zinc/29/15/95/375291595.db2.gz	XLMOCOQPTSQDQF-LBPRGKRZSA-N	-1	0	280.327	3.315	20	30		CGEDRM
CCc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1C	ZINC000189183023	375337210	/nfs/dbraw/zinc/33/72/10/375337210.db2.gz	ZAJAJCRNZOFHMD-UHFFFAOYSA-N	-1	0	280.327	3.387	20	30		CGEDRM
N#CC(=C([O-])c1ncsc1C(F)(F)F)c1ccccn1	ZINC000338627700	376452889	/nfs/dbraw/zinc/45/28/89/376452889.db2.gz	RFZNEIDAWIKVBS-ZETCQYMHSA-N	-1	0	297.261	3.047	20	30		CGEDRM
N#Cc1cccc(CN=c2nc(C3CCCCC3)[n-]s2)c1	ZINC000557625164	376948885	/nfs/dbraw/zinc/94/88/85/376948885.db2.gz	KZFYUAGNLKCAJN-UHFFFAOYSA-N	-1	0	298.415	3.491	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C(C)C)nc2C)n1	ZINC000568202044	377515444	/nfs/dbraw/zinc/51/54/44/377515444.db2.gz	BIXLQNQODYFITF-NSHDSACASA-N	-1	0	288.376	3.027	20	30		CGEDRM
CCc1cccnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000346933030	378696586	/nfs/dbraw/zinc/69/65/86/378696586.db2.gz	DBCFQUMSQOYKJJ-GFCCVEGCSA-N	-1	0	291.310	3.275	20	30		CGEDRM
C=CCC[C@@H](C(=O)[N-]OCCSC)c1ccccc1	ZINC000280053569	379592603	/nfs/dbraw/zinc/59/26/03/379592603.db2.gz	QDWLCEXBMUJNOO-CQSZACIVSA-N	-1	0	279.405	3.147	20	30		CGEDRM
CCCCCCCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000378178162	379787130	/nfs/dbraw/zinc/78/71/30/379787130.db2.gz	MZQUWFJXIQDKJC-CYBMUJFWSA-N	-1	0	281.396	3.060	20	30		CGEDRM
C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000393725837	379916354	/nfs/dbraw/zinc/91/63/54/379916354.db2.gz	ARJPSXFXNOOHTM-SECBINFHSA-N	-1	0	264.281	3.060	20	30		CGEDRM
C=CCC1(C(=O)Nc2n[nH]c(-c3ccco3)n2)CCCC1	ZINC000411296871	380139014	/nfs/dbraw/zinc/13/90/14/380139014.db2.gz	WSKHYPFHDHGLFZ-UHFFFAOYSA-N	-1	0	286.335	3.140	20	30		CGEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(Cl)c1	ZINC000050225025	392062830	/nfs/dbraw/zinc/06/28/30/392062830.db2.gz	SJFSWYBIHRYSNN-UHFFFAOYSA-N	-1	0	286.718	3.478	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000262985955	131277442	/nfs/dbraw/zinc/27/74/42/131277442.db2.gz	PUWUCRKZUWAZBE-KGLIPLIRSA-N	-1	0	289.375	3.091	20	30		CGEDRM
Cc1csc(C(C#N)=C([O-])c2ccsc2C)n1	ZINC000334518803	392734007	/nfs/dbraw/zinc/73/40/07/392734007.db2.gz	AJHQYPYIZCRRFH-SNVBAGLBSA-N	-1	0	262.359	3.312	20	30		CGEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1nc(C2CC2)cs1	ZINC000647372998	392710553	/nfs/dbraw/zinc/71/05/53/392710553.db2.gz	ZVKYLIJZUODLNZ-ZDUSSCGKSA-N	-1	0	293.351	3.382	20	30		CGEDRM
N#CC(=C([O-])c1ocnc1C1CC1)c1nc(C2CC2)cs1	ZINC000647379759	392711895	/nfs/dbraw/zinc/71/18/95/392711895.db2.gz	LDYJCGHTWCMTMA-JTQLQIEISA-N	-1	0	299.355	3.376	20	30		CGEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647377922	392711906	/nfs/dbraw/zinc/71/19/06/392711906.db2.gz	AUJPNRNBLXLNMG-SECBINFHSA-N	-1	0	289.385	3.276	20	30		CGEDRM
Cc1nc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)o1	ZINC000346243470	393079956	/nfs/dbraw/zinc/07/99/56/393079956.db2.gz	PSZXBZBBMHMTRE-AWEZNQCLSA-N	-1	0	291.310	3.330	20	30		CGEDRM
Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000356208997	393382866	/nfs/dbraw/zinc/38/28/66/393382866.db2.gz	FGUSZRDPRORLNE-VURMDHGXSA-N	-1	0	264.284	3.130	20	30		CGEDRM
CC(C)c1cccnc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000442675096	393738832	/nfs/dbraw/zinc/73/88/32/393738832.db2.gz	XZFGNBRYKRDJED-UHFFFAOYSA-N	-1	0	281.315	3.035	20	30		CGEDRM
C=CCC(CC=C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000669435153	543106450	/nfs/dbraw/zinc/10/64/50/543106450.db2.gz	WDZNYZUWXDDXLU-OAHLLOKOSA-N	-1	0	299.370	3.360	20	30		CGEDRM
CC(C)[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000037453261	173219203	/nfs/dbraw/zinc/21/92/03/173219203.db2.gz	YIPLGRJBXBEYKA-NSHDSACASA-N	-1	0	286.253	3.098	20	30		CGEDRM
N#CC(=C([O-])c1occc1-c1ccccc1)c1ccncn1	ZINC000354466691	227002821	/nfs/dbraw/zinc/00/28/21/227002821.db2.gz	NDWGIKGRZQHJQH-CQSZACIVSA-N	-1	0	289.294	3.227	20	30		CGEDRM
Cc1ncccc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000178325255	261385685	/nfs/dbraw/zinc/38/56/85/261385685.db2.gz	FUCKTVQIXBVFCG-GFCCVEGCSA-N	-1	0	285.372	3.460	20	30		CGEDRM
CCCCCCCC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000109033755	262129340	/nfs/dbraw/zinc/12/93/40/262129340.db2.gz	DRNXTLMEHJGSTF-UHFFFAOYSA-N	-1	0	269.385	3.060	20	30		CGEDRM
C=CCC(C)(C)CNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000293764420	263149171	/nfs/dbraw/zinc/14/91/71/263149171.db2.gz	MAJQBWKPSFOULB-UHFFFAOYSA-N	-1	0	269.291	3.003	20	30		CGEDRM
C[C@H](C[C@H](C)O)NC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000331236681	264175389	/nfs/dbraw/zinc/17/53/89/264175389.db2.gz	MJUCENBEVLQUQF-RQJHMYQMSA-N	-1	0	292.162	3.163	20	30		CGEDRM
C=CCCC[C@H](C)NC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000343289625	264373520	/nfs/dbraw/zinc/37/35/20/264373520.db2.gz	MBEBIZAWSQIXRR-NSHDSACASA-N	-1	0	296.440	3.025	20	30		CGEDRM
C[C@H]1CCc2sc(C([O-])=C(C#N)c3ccncn3)cc2C1	ZINC000354481814	300092183	/nfs/dbraw/zinc/09/21/83/300092183.db2.gz	YQEYLSFZDSEHHC-JQWIXIFHSA-N	-1	0	297.383	3.153	20	30		CGEDRM
CCOc1ccc(-c2ccccc2C(=O)[O-])cc1C#N	ZINC000580201218	327731252	/nfs/dbraw/zinc/73/12/52/327731252.db2.gz	BZIVPQGBYLWXSQ-UHFFFAOYSA-N	-1	0	267.284	3.322	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000345326185	328564533	/nfs/dbraw/zinc/56/45/33/328564533.db2.gz	IFQBTTLYIACPSU-UHFFFAOYSA-N	-1	0	298.726	3.495	20	30		CGEDRM
C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC=CCC1	ZINC000331322245	327392483	/nfs/dbraw/zinc/39/24/83/327392483.db2.gz	FJZGEMLPOXHPFQ-AWEZNQCLSA-N	-1	0	276.292	3.104	20	30		CGEDRM
Cc1occc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000191001098	329405453	/nfs/dbraw/zinc/40/54/53/329405453.db2.gz	WTFQUXGVWUUWHK-LBPRGKRZSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CCC(CC=C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]	ZINC000262944921	330037294	/nfs/dbraw/zinc/03/72/94/330037294.db2.gz	CSCKEXHAZBIJHE-CYBMUJFWSA-N	-1	0	281.396	3.151	20	30		CGEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000263170302	330047211	/nfs/dbraw/zinc/04/72/11/330047211.db2.gz	FUFOFFFBGRJDON-VXGBXAGGSA-N	-1	0	275.348	3.416	20	30		CGEDRM
C=CCCCCCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000263407244	330054390	/nfs/dbraw/zinc/05/43/90/330054390.db2.gz	UBCDFTZRQLSAPR-AWEZNQCLSA-N	-1	0	296.411	3.019	20	30		CGEDRM
C=CCOc1ccc(CN=c2nc(CCC)[n-]s2)cc1	ZINC000461875899	331314955	/nfs/dbraw/zinc/31/49/55/331314955.db2.gz	FMYLIJDZMTZRNY-UHFFFAOYSA-N	-1	0	289.404	3.089	20	30		CGEDRM
Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1	ZINC000492259930	332389525	/nfs/dbraw/zinc/38/95/25/332389525.db2.gz	QRTZBAUFEMXVLU-LBPRGKRZSA-N	-1	0	293.351	3.490	20	30		CGEDRM
Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1	ZINC000353569238	534629315	/nfs/dbraw/zinc/62/93/15/534629315.db2.gz	VCODZIINUUUXAF-LLVKDONJSA-N	-1	0	277.283	3.021	20	30		CGEDRM
C=CCC(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000346970408	527032109	/nfs/dbraw/zinc/03/21/09/527032109.db2.gz	IHFCKGHWXJWKMS-UHFFFAOYSA-N	-1	0	259.305	3.092	20	30		CGEDRM
CCSCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354471644	529198928	/nfs/dbraw/zinc/19/89/28/529198928.db2.gz	SSCFBSQKPICSIT-AWEZNQCLSA-N	-1	0	297.383	3.220	20	30		CGEDRM
C=CCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C(C)C	ZINC000738489422	571802761	/nfs/dbraw/zinc/80/27/61/571802761.db2.gz	DPQGDFQMPYXFHN-UHFFFAOYSA-N	-1	0	296.754	3.467	20	30		CGEDRM
N#Cc1cnc(NCCCCCCC(=O)[O-])c(Cl)c1	ZINC000738435417	572375753	/nfs/dbraw/zinc/37/57/53/572375753.db2.gz	LNZJZNDPRIKEDN-UHFFFAOYSA-N	-1	0	281.743	3.054	20	30		CGEDRM
Cc1ccsc1C(=O)/C=C/c1ccoc1C(=O)[O-]	ZINC000738799876	572393119	/nfs/dbraw/zinc/39/31/19/572393119.db2.gz	KGJZDKVDUJKSHV-NSCUHMNNSA-N	-1	0	262.286	3.244	20	30		CGEDRM
N#Cc1ccccc1COC(=O)c1cccc(NC(=O)[O-])c1	ZINC000739146151	572402814	/nfs/dbraw/zinc/40/28/14/572402814.db2.gz	ALRIEKAFZZRMLM-UHFFFAOYSA-N	-1	0	296.282	3.005	20	30		CGEDRM
O=C([O-])c1ccc(/C=C2/CCc3sccc3C2=O)o1	ZINC000740122462	572432806	/nfs/dbraw/zinc/43/28/06/572432806.db2.gz	GCWDLYPBGXAVBA-FPLPWBNLSA-N	-1	0	274.297	3.252	20	30		CGEDRM
N#Cc1ccc(Cl)cc1NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000740315137	572439339	/nfs/dbraw/zinc/43/93/39/572439339.db2.gz	LHHZPKLDCNXTLU-JTQLQIEISA-N	-1	0	293.754	3.014	20	30		CGEDRM
N#Cc1ccc(Nc2ccc3c(c2)CCCN3C(=O)[O-])nc1	ZINC000740318838	572439650	/nfs/dbraw/zinc/43/96/50/572439650.db2.gz	DPKWNENSFSTNPX-UHFFFAOYSA-N	-1	0	294.314	3.127	20	30		CGEDRM
C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-]	ZINC000737696735	572568237	/nfs/dbraw/zinc/56/82/37/572568237.db2.gz	VCYMXMXCMKAJQP-LLVKDONJSA-N	-1	0	282.299	3.236	20	30		CGEDRM
CC(C)CC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000726366347	572573683	/nfs/dbraw/zinc/57/36/83/572573683.db2.gz	YDQGEHIWKIDXHD-AWEZNQCLSA-N	-1	0	269.344	3.042	20	30		CGEDRM
C#CCOc1cccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1	ZINC000736090256	572768208	/nfs/dbraw/zinc/76/82/08/572768208.db2.gz	XTUWUVPVYMQLOO-MRXNPFEDSA-N	-1	0	299.301	3.076	20	30		CGEDRM
CC[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-]	ZINC000736926207	572826179	/nfs/dbraw/zinc/82/61/79/572826179.db2.gz	ZYYYDXZRQWFKQB-MNOVXSKESA-N	-1	0	278.377	3.213	20	30		CGEDRM
CCCCCCCn1nnc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000736982771	572832608	/nfs/dbraw/zinc/83/26/08/572832608.db2.gz	AEGFFQOHHRSLHU-UHFFFAOYSA-N	-1	0	288.351	3.009	20	30		CGEDRM
CCc1ccc(C=NOCc2cc(C(=O)[O-])co2)cc1	ZINC000737260403	572868278	/nfs/dbraw/zinc/86/82/78/572868278.db2.gz	KPFDRZOUTPSLHY-UHFFFAOYSA-N	-1	0	273.288	3.091	20	30		CGEDRM
CCCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000748005368	572957240	/nfs/dbraw/zinc/95/72/40/572957240.db2.gz	FQRVKBDIBMRDFK-UHFFFAOYSA-N	-1	0	280.327	3.469	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CCC(C)(C)C[C@H]2C)n1	ZINC000748247351	572970394	/nfs/dbraw/zinc/97/03/94/572970394.db2.gz	ULEJNWVQBLWURX-SECBINFHSA-N	-1	0	262.357	3.105	20	30		CGEDRM
N#Cc1cccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c1	ZINC000748442143	572977090	/nfs/dbraw/zinc/97/70/90/572977090.db2.gz	WVAWNJVKLQWWAJ-PEPZGXQESA-N	-1	0	282.324	3.283	20	30		CGEDRM
C=CCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-]	ZINC000093432290	599810466	/nfs/dbraw/zinc/81/04/66/599810466.db2.gz	XPEYVLAWVXXXPI-UHFFFAOYSA-N	-1	0	287.237	3.308	20	30		CGEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000163140605	600268411	/nfs/dbraw/zinc/26/84/11/600268411.db2.gz	AXLWQCZWYCFJTK-QMMMGPOBSA-N	-1	0	282.727	3.124	20	30		CGEDRM
CCCCCCCC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC000112863923	600429187	/nfs/dbraw/zinc/42/91/87/600429187.db2.gz	FGNGHEZNEGOKBC-UHFFFAOYSA-N	-1	0	264.325	3.079	20	30		CGEDRM
Cc1cc(OCc2ccc(F)cc2C#N)c(C(=O)[O-])s1	ZINC000070428874	600638498	/nfs/dbraw/zinc/63/84/98/600638498.db2.gz	LZJKUMKHRHJDEA-UHFFFAOYSA-N	-1	0	291.303	3.345	20	30		CGEDRM
C=CCCCC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000825671307	601126497	/nfs/dbraw/zinc/12/64/97/601126497.db2.gz	LLVHDLOVDURBDT-CSKARUKUSA-N	-1	0	290.315	3.055	20	30		CGEDRM
O=C([O-])c1cc(Cl)cc(NC(=O)C#Cc2ccccc2)c1	ZINC000166527052	601287654	/nfs/dbraw/zinc/28/76/54/601287654.db2.gz	ABXRJLUGRCNICB-UHFFFAOYSA-N	-1	0	299.713	3.028	20	30		CGEDRM
O=C([O-])C1(CN=Cc2cc3ccccc3[nH]c2=O)CCCC1	ZINC000833174622	601365996	/nfs/dbraw/zinc/36/59/96/601365996.db2.gz	SXEBAQSDTFFTOK-ZDLGFXPLSA-N	-1	0	298.342	3.004	20	30		CGEDRM
C#Cc1cccc(N(C)Cc2cc(C(=O)[O-])oc2CC)c1	ZINC000825636706	601416380	/nfs/dbraw/zinc/41/63/80/601416380.db2.gz	QFEXNKVQXWLXTC-UHFFFAOYSA-N	-1	0	283.327	3.158	20	30		CGEDRM
Cc1sc(C(=O)[O-])cc1COc1ccc(C#N)cc1	ZINC000155898777	601627257	/nfs/dbraw/zinc/62/72/57/601627257.db2.gz	AANNKZYKWARSEA-UHFFFAOYSA-N	-1	0	273.313	3.205	20	30		CGEDRM
CCCOc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000829528459	601791773	/nfs/dbraw/zinc/79/17/73/601791773.db2.gz	ZFTWFFGLQAJFJC-BAQGIRSFSA-N	-1	0	299.326	3.398	20	30		CGEDRM
Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC000832951503	602105028	/nfs/dbraw/zinc/10/50/28/602105028.db2.gz	GGXZREVJOOORBG-UHFFFAOYSA-N	-1	0	284.290	3.316	20	30		CGEDRM
C#CCc1c(C)[n-]n(-c2ccc(C(C)C)cc2)c1=O	ZINC000899348737	620654041	/nfs/dbraw/zinc/65/40/41/620654041.db2.gz	IPVPTOSQNMYTDP-OAHLLOKOSA-N	-1	0	254.333	3.172	20	30		CGEDRM
Cn1cc(/C=C/C(=O)c2ccc(F)cc2[O-])c(C2CC2)n1	ZINC000899363518	620658079	/nfs/dbraw/zinc/65/80/79/620658079.db2.gz	OWTVIGDAHPOVMQ-QPJJXVBHSA-N	-1	0	286.306	3.038	20	30		CGEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(C(=O)[O-])c1)OCC	ZINC000833367597	604562858	/nfs/dbraw/zinc/56/28/58/604562858.db2.gz	OWUFTOUEDUPIIQ-CQSZACIVSA-N	-1	0	291.347	3.003	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000833071804	604630353	/nfs/dbraw/zinc/63/03/53/604630353.db2.gz	IWKOBMDOKNHGSU-YHYXMXQVSA-N	-1	0	277.279	3.153	20	30		CGEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)s1	ZINC000833072483	604630639	/nfs/dbraw/zinc/63/06/39/604630639.db2.gz	NDGMTIPEDQZDNJ-FPLPWBNLSA-N	-1	0	283.308	3.214	20	30		CGEDRM
CC(C)CCN(CCC#N)Cc1ccccc1C(=O)[O-]	ZINC000833484341	604633050	/nfs/dbraw/zinc/63/30/50/604633050.db2.gz	ZAYOCDLHWFTPCP-UHFFFAOYSA-N	-1	0	274.364	3.147	20	30		CGEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1	ZINC000763368017	604666102	/nfs/dbraw/zinc/66/61/02/604666102.db2.gz	IOHNMPXTCMSEQO-SNVBAGLBSA-N	-1	0	287.294	3.120	20	30		CGEDRM
CC(C)Oc1ccccc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763372086	604669422	/nfs/dbraw/zinc/66/94/22/604669422.db2.gz	RANSYKMWDXORGP-UHFFFAOYSA-N	-1	0	299.330	3.013	20	30		CGEDRM
C=C[C@@H](CC(=O)O[C@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000833370342	604782222	/nfs/dbraw/zinc/78/22/22/604782222.db2.gz	BZRDFEHJLKHDKZ-DZGCQCFKSA-N	-1	0	290.359	3.389	20	30		CGEDRM
C=CCn1c2ccccc2nc1S[C@@H](C(=O)[O-])C1CC1	ZINC000833380497	605069557	/nfs/dbraw/zinc/06/95/57/605069557.db2.gz	HWOIMCCRAYOWQY-CYBMUJFWSA-N	-1	0	288.372	3.178	20	30		CGEDRM
C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccccc1	ZINC000833739198	605124852	/nfs/dbraw/zinc/12/48/52/605124852.db2.gz	QPBWRPQOGCNHPO-GFCCVEGCSA-N	-1	0	280.327	3.107	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccccn1	ZINC000833386646	605159005	/nfs/dbraw/zinc/15/90/05/605159005.db2.gz	OWKBNEOLLWTAQX-UHFFFAOYSA-N	-1	0	289.722	3.269	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cncs1	ZINC000833386671	605158985	/nfs/dbraw/zinc/15/89/85/605158985.db2.gz	RAEZTOFACVHPFI-UHFFFAOYSA-N	-1	0	295.751	3.331	20	30		CGEDRM
Cc1c(C#N)cccc1NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000829839629	605204466	/nfs/dbraw/zinc/20/44/66/605204466.db2.gz	OIOYDSLGBQROOS-UHFFFAOYSA-N	-1	0	295.298	3.209	20	30		CGEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833387033	605594880	/nfs/dbraw/zinc/59/48/80/605594880.db2.gz	LHQDCODMFYFIHC-UHFFFAOYSA-N	-1	0	254.289	3.221	20	30		CGEDRM
C=CCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CC1	ZINC000833787824	605786045	/nfs/dbraw/zinc/78/60/45/605786045.db2.gz	DIIRXOQOHKRXRS-UHFFFAOYSA-N	-1	0	294.738	3.221	20	30		CGEDRM
C=C(C)c1cccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c1	ZINC000899854245	620731868	/nfs/dbraw/zinc/73/18/68/620731868.db2.gz	HSCAREBEMULADU-KBPBESRZSA-N	-1	0	273.332	3.159	20	30		CGEDRM
N#Cc1cccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000255171130	618033625	/nfs/dbraw/zinc/03/36/25/618033625.db2.gz	CQWHWUYEGITGAF-DAXSKMNVSA-N	-1	0	294.266	3.068	20	30		CGEDRM
CC(=CC(=O)[N-]S(=O)(=O)CC1CCCCC1)C1CC1	ZINC000049514051	617613789	/nfs/dbraw/zinc/61/37/89/617613789.db2.gz	FHOLSUINRNFLDC-LUAWRHEFSA-N	-1	0	285.409	3.209	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(CC)cc1	ZINC000042343380	617645722	/nfs/dbraw/zinc/64/57/22/617645722.db2.gz	MLZGKHPZZBWNBB-UHFFFAOYSA-N	-1	0	297.420	3.268	20	30		CGEDRM
C#CCON=C(CC)c1cc(Cl)cc(Cl)c1[O-]	ZINC000812234864	617741061	/nfs/dbraw/zinc/74/10/61/617741061.db2.gz	ZNKYIQIDVDXJTB-UHFFFAOYSA-N	-1	0	272.131	3.463	20	30		CGEDRM
O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(O)cc1[O-]	ZINC000255059225	617893889	/nfs/dbraw/zinc/89/38/89/617893889.db2.gz	GJACAUOFFVODQB-KXFIGUGUSA-N	-1	0	276.238	3.272	20	30		CGEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000900319563	620780608	/nfs/dbraw/zinc/78/06/08/620780608.db2.gz	BWRAXVWXINDJAO-LBPRGKRZSA-N	-1	0	296.754	3.189	20	30		CGEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccco2)c1[O-]	ZINC000022726600	618357397	/nfs/dbraw/zinc/35/73/97/618357397.db2.gz	RSBBEZNPIYAXIA-MKMNVTDBSA-N	-1	0	280.667	3.166	20	30		CGEDRM
C=CCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000178646840	618661416	/nfs/dbraw/zinc/66/14/16/618661416.db2.gz	XUPCKVJGYXDSEG-UHFFFAOYSA-N	-1	0	262.334	3.411	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccc(Cl)cc2)c1	ZINC000176827138	618742341	/nfs/dbraw/zinc/74/23/41/618742341.db2.gz	NQKSKZCVTDMFHB-UHFFFAOYSA-N	-1	0	286.718	3.098	20	30		CGEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000232926345	619293779	/nfs/dbraw/zinc/29/37/79/619293779.db2.gz	UYARUIGDNHIYTM-STQMWFEESA-N	-1	0	269.385	3.059	20	30		CGEDRM
CCCCS(=O)(=O)[N-]C(=O)C1C2CC3CC(C2)CC1C3	ZINC000048518568	619502446	/nfs/dbraw/zinc/50/24/46/619502446.db2.gz	KOGXTWOZAPTBNP-UHFFFAOYSA-N	-1	0	299.436	3.145	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000909626578	620214227	/nfs/dbraw/zinc/21/42/27/620214227.db2.gz	LBEQDWWUJJQTEQ-UHFFFAOYSA-N	-1	0	291.347	3.072	20	30		CGEDRM
Cc1c(N=NC2CC3(C2)CO[C@H](C)C3)cccc1C(=O)[O-]	ZINC000901261874	620849527	/nfs/dbraw/zinc/84/95/27/620849527.db2.gz	QAEWEOOWMXXMMR-HQNRFAHOSA-N	-1	0	288.347	3.050	20	30		CGEDRM
C=CCCC[C@@H](C(=O)NCCCC(=O)[O-])c1ccccc1	ZINC000901437063	620887398	/nfs/dbraw/zinc/88/73/98/620887398.db2.gz	ANOZSFCQBWBEGW-OAHLLOKOSA-N	-1	0	289.375	3.108	20	30		CGEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1c([O-])cccc1F	ZINC000901561591	620930328	/nfs/dbraw/zinc/93/03/28/620930328.db2.gz	UEECGEJNWJUMKF-BQYQJAHWSA-N	-1	0	286.306	3.038	20	30		CGEDRM
C=C(C)CN(C)Cc1cc(C(=O)[O-])ccc1Br	ZINC000903896643	621829003	/nfs/dbraw/zinc/82/90/03/621829003.db2.gz	FMAAFYVQXZIVIW-UHFFFAOYSA-N	-1	0	298.180	3.155	20	30		CGEDRM
C=CC[C@H](C)[C@@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC000905750068	622099963	/nfs/dbraw/zinc/09/99/63/622099963.db2.gz	CZWSCNXYLPLUSH-NWDGAFQWSA-N	-1	0	287.363	3.134	20	30		CGEDRM
N#Cc1ccc(-c2ccc3c(c2)C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)s1	ZINC000906237069	622203118	/nfs/dbraw/zinc/20/31/18/622203118.db2.gz	FSJCPPJQYQSHPQ-NWANDNLSSA-N	-1	0	281.336	3.257	20	30		CGEDRM
C=CC1(CC(=O)NCc2ccoc2C(=O)[O-])CCCCC1	ZINC000907705166	622308202	/nfs/dbraw/zinc/30/82/02/622308202.db2.gz	UNOBAMZJIFAFRN-UHFFFAOYSA-N	-1	0	291.347	3.121	20	30		CGEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909085733	622389612	/nfs/dbraw/zinc/38/96/12/622389612.db2.gz	FUVLAPIUWSHZDG-UHFFFAOYSA-N	-1	0	261.321	3.234	20	30		CGEDRM
C=CCCC[C@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000910924501	622509429	/nfs/dbraw/zinc/50/94/29/622509429.db2.gz	CARHZTMYQVGHGM-ZDUSSCGKSA-N	-1	0	293.363	3.251	20	30		CGEDRM
CC[C@@H](C)CON=C(C)c1cc(C(=O)[O-])cs1	ZINC000814939121	625574294	/nfs/dbraw/zinc/57/42/94/625574294.db2.gz	FPFAQNWUTWWRDC-MRVPVSSYSA-N	-1	0	255.339	3.233	20	30		CGEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)C1	ZINC000911684140	622543013	/nfs/dbraw/zinc/54/30/13/622543013.db2.gz	OMXJTVNBFHZZOQ-UHFFFAOYSA-N	-1	0	277.295	3.127	20	30		CGEDRM
N#Cc1ccc(/C=C/C(=O)c2ccccc2[O-])s1	ZINC000156598957	622827080	/nfs/dbraw/zinc/82/70/80/622827080.db2.gz	KXZGPCRFOAAULA-BQYQJAHWSA-N	-1	0	255.298	3.221	20	30		CGEDRM
CCCCCCCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000059082257	622988693	/nfs/dbraw/zinc/98/86/93/622988693.db2.gz	GTEXCRKCOXGNGB-UHFFFAOYSA-N	-1	0	269.385	3.251	20	30		CGEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708570	623004567	/nfs/dbraw/zinc/00/45/67/623004567.db2.gz	ASXNQOHWSVYZNC-UHFFFAOYSA-N	-1	0	281.377	3.302	20	30		CGEDRM
CCCCCCCC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000059416095	623006089	/nfs/dbraw/zinc/00/60/89/623006089.db2.gz	TZBDDWHIALPTDR-UHFFFAOYSA-N	-1	0	291.391	3.404	20	30		CGEDRM
O=C([O-])c1ccc(N=NCc2ccc(Cl)c(F)c2)nc1	ZINC000763371448	623870759	/nfs/dbraw/zinc/87/07/59/623870759.db2.gz	AKHWDDRXYGTLAV-UHFFFAOYSA-N	-1	0	293.685	3.018	20	30		CGEDRM
CCCCCCCC/N=C\c1c(O)c(C)ncc1CO	ZINC000754685522	623924536	/nfs/dbraw/zinc/92/45/36/623924536.db2.gz	FWMUIIDWCUILHR-BOPFTXTBSA-N	-1	0	278.396	3.367	20	30		CGEDRM
C[C@@H]1C(=NNCCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814920149	624004034	/nfs/dbraw/zinc/00/40/34/624004034.db2.gz	CACJWILSJAFLCL-RKDXNWHRSA-N	-1	0	294.317	3.041	20	30		CGEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(F)c1	ZINC000916240532	624123515	/nfs/dbraw/zinc/12/35/15/624123515.db2.gz	GCJQIHKLZYGALB-UHFFFAOYSA-N	-1	0	272.279	3.360	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@@H]3CCCC[C@H]3C2)n1	ZINC000916241425	624123706	/nfs/dbraw/zinc/12/37/06/624123706.db2.gz	AIYIXTPWCOBKAG-RYUDHWBXSA-N	-1	0	274.368	3.249	20	30		CGEDRM
C=CCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000916255104	624125428	/nfs/dbraw/zinc/12/54/28/624125428.db2.gz	AVOOOBINOLWDFV-UHFFFAOYSA-N	-1	0	296.326	3.396	20	30		CGEDRM
CCc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000916240736	624126039	/nfs/dbraw/zinc/12/60/39/624126039.db2.gz	MQNAPPAQGHWVBJ-UHFFFAOYSA-N	-1	0	268.316	3.393	20	30		CGEDRM
O=C([O-])c1ccc(NN=C2CCc3ccccc32)cc1	ZINC000916240859	624126215	/nfs/dbraw/zinc/12/62/15/624126215.db2.gz	RCBRNRUZFFJCRI-UHFFFAOYSA-N	-1	0	266.300	3.147	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(Cl)cc2)c1	ZINC000916246864	624129485	/nfs/dbraw/zinc/12/94/85/624129485.db2.gz	MLFJOXDOZIJENS-UHFFFAOYSA-N	-1	0	291.694	3.400	20	30		CGEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2o1	ZINC000916875193	624221161	/nfs/dbraw/zinc/22/11/61/624221161.db2.gz	VNRWXVWBGZQISP-CYBMUJFWSA-N	-1	0	298.342	3.062	20	30		CGEDRM
CC(C)c1csc(C(C#N)=C([O-])C=C[C@H]2CCOC2)n1	ZINC000835200831	634392811	/nfs/dbraw/zinc/39/28/11/634392811.db2.gz	PTFAYRWBTNVQLJ-HEKLCECKSA-N	-1	0	290.388	3.035	20	30		CGEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cscc1C	ZINC000175095650	624612031	/nfs/dbraw/zinc/61/20/31/624612031.db2.gz	FNTVGNVVURJLKX-LBPRGKRZSA-N	-1	0	292.404	3.076	20	30		CGEDRM
CC1(C)C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)O1	ZINC000182048123	624934134	/nfs/dbraw/zinc/93/41/34/624934134.db2.gz	YJEARRPKBZMIHY-WFSQQTBHSA-N	-1	0	292.335	3.065	20	30		CGEDRM
O=C(C=Cc1cccc([N+](=O)[O-])c1)c1sccc1[O-]	ZINC000184517323	625243322	/nfs/dbraw/zinc/24/33/22/625243322.db2.gz	BNMSHDAZVHWQSZ-SNAWJCMRSA-N	-1	0	275.285	3.258	20	30		CGEDRM
N#CC[C@H](NCc1c([O-])ccc(Cl)c1F)C(F)(F)F	ZINC000922648153	626025470	/nfs/dbraw/zinc/02/54/70/626025470.db2.gz	XDTTYQDWVNUTEV-VIFPVBQESA-N	-1	0	296.651	3.119	20	30		CGEDRM
CCC(C#N)(CC)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000923083284	626128795	/nfs/dbraw/zinc/12/87/95/626128795.db2.gz	NJMXQMWYNXUHPI-LLVKDONJSA-N	-1	0	288.347	3.143	20	30		CGEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096883	626130809	/nfs/dbraw/zinc/13/08/09/626130809.db2.gz	PNKGBZHTXPSXQO-UHFFFAOYSA-N	-1	0	267.350	3.296	20	30		CGEDRM
C=CCCC[C@@H](C)OC(=O)Cc1ccc(O)c(F)c1	ZINC000838144819	626196469	/nfs/dbraw/zinc/19/64/69/626196469.db2.gz	KVXLBQVSALOUED-LLVKDONJSA-N	-1	0	266.312	3.362	20	30		CGEDRM
CC(C)(C#N)CCCCOC(=O)Cc1ccc(O)c(F)c1	ZINC000838143901	626196622	/nfs/dbraw/zinc/19/66/22/626196622.db2.gz	CRSUGUMEZAXPDD-UHFFFAOYSA-N	-1	0	293.338	3.337	20	30		CGEDRM
Cc1cc(=O)[nH]c(NN=C2CC[C@H](C)c3ccccc32)n1	ZINC000752713629	626435676	/nfs/dbraw/zinc/43/56/76/626435676.db2.gz	RWHBBZMTIAFRIF-JTQLQIEISA-N	-1	0	282.347	3.204	20	30		CGEDRM
CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000756232110	626685319	/nfs/dbraw/zinc/68/53/19/626685319.db2.gz	QSFUOXQYXOOJMR-WFASDCNBSA-N	-1	0	286.375	3.047	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC=CCc1ccco1	ZINC000756899075	626739698	/nfs/dbraw/zinc/73/96/98/626739698.db2.gz	OLIJQJPBCYOINO-KCLRZSDESA-N	-1	0	286.287	3.098	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccccc1	ZINC000756905867	626740216	/nfs/dbraw/zinc/74/02/16/626740216.db2.gz	NVFJJCWDMOBTDP-UHFFFAOYSA-N	-1	0	284.315	3.230	20	30		CGEDRM
CC(=NOCc1ccccc1)c1ccccc1C(=O)[O-]	ZINC000757460185	626780104	/nfs/dbraw/zinc/78/01/04/626780104.db2.gz	PYZCYLJWGZJEKL-UHFFFAOYSA-N	-1	0	269.300	3.326	20	30		CGEDRM
Cc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)c([O-])c1	ZINC000757474410	626781733	/nfs/dbraw/zinc/78/17/33/626781733.db2.gz	BBXABBPGUYWQGE-SOFGYWHQSA-N	-1	0	296.322	3.368	20	30		CGEDRM
Cc1cccc2ncc(/C=C\C(=O)c3ccc(F)cc3[O-])n21	ZINC000757475907	626782161	/nfs/dbraw/zinc/78/21/61/626782161.db2.gz	NGJQUBZDRQAPJW-VURMDHGXSA-N	-1	0	296.301	3.384	20	30		CGEDRM
Cc1noc(C)c1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000757476870	626782212	/nfs/dbraw/zinc/78/22/12/626782212.db2.gz	VIBJVDYEKYAKPU-ARJAWSKDSA-N	-1	0	279.242	3.171	20	30		CGEDRM
Cc1cc([N+](=O)[O-])ccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000758067735	626825176	/nfs/dbraw/zinc/82/51/76/626825176.db2.gz	DAFJQEASGBUUCC-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
CC(=NOCc1ccc(F)cc1)c1cccc(C(=O)[O-])c1	ZINC000758143580	626830935	/nfs/dbraw/zinc/83/09/35/626830935.db2.gz	PEJDICZDJVFOKW-UHFFFAOYSA-N	-1	0	287.290	3.465	20	30		CGEDRM
CC(C)c1ncc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000758354260	626838356	/nfs/dbraw/zinc/83/83/56/626838356.db2.gz	FNZPGOXMVWUBLM-UHFFFAOYSA-N	-1	0	289.360	3.411	20	30		CGEDRM
Cc1ccc(F)c(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000759653577	626912222	/nfs/dbraw/zinc/91/22/22/626912222.db2.gz	RPXZCJWCKXDYFO-UHFFFAOYSA-N	-1	0	289.266	3.194	20	30		CGEDRM
CCC(N=Nc1ccccn1)c1ccc(C(=O)[O-])cc1	ZINC000760225955	626945753	/nfs/dbraw/zinc/94/57/53/626945753.db2.gz	GRHAHRHFCABGIE-UHFFFAOYSA-N	-1	0	269.304	3.006	20	30		CGEDRM
CCC1(CC)C(N=Nc2ccc(C(=O)[O-])cc2)C[C@@H]1OC	ZINC000762601530	627117242	/nfs/dbraw/zinc/11/72/42/627117242.db2.gz	BDOMCXRACQQTCB-AWEZNQCLSA-N	-1	0	290.363	3.378	20	30		CGEDRM
Cc1ccccc1C1CC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000763372060	627154803	/nfs/dbraw/zinc/15/48/03/627154803.db2.gz	PUNJZAIIARAOMB-UHFFFAOYSA-N	-1	0	295.342	3.434	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CCCCc3ccccc32)nc1	ZINC000763371968	627154948	/nfs/dbraw/zinc/15/49/48/627154948.db2.gz	NZIOMLVXHQVZAG-UHFFFAOYSA-N	-1	0	295.342	3.322	20	30		CGEDRM
CC(=NNc1ccc(F)cc1F)c1cccc(C(=O)[O-])c1	ZINC000764641246	627216100	/nfs/dbraw/zinc/21/61/00/627216100.db2.gz	RHNZBLYGTCXSNZ-UHFFFAOYSA-N	-1	0	290.269	3.499	20	30		CGEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000765823459	627273541	/nfs/dbraw/zinc/27/35/41/627273541.db2.gz	FNBACBLCXSZJPH-WTKPLQERSA-N	-1	0	297.266	3.189	20	30		CGEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1cccnn1	ZINC000766284949	627312956	/nfs/dbraw/zinc/31/29/56/627312956.db2.gz	ZIBMLHWUUGDDHU-UUASQNMZSA-N	-1	0	282.130	3.108	20	30		CGEDRM
N#Cc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])ccc1F	ZINC000770573034	627627473	/nfs/dbraw/zinc/62/74/73/627627473.db2.gz	WRXULRKUCJWQBV-KXFIGUGUSA-N	-1	0	285.249	3.438	20	30		CGEDRM
CC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1	ZINC000125133400	634599945	/nfs/dbraw/zinc/59/99/45/634599945.db2.gz	AHBPUUVMOJFQRI-NGWPFTMJSA-N	-1	0	285.303	3.266	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\Oc3cc(F)ccc3C2=O)c1	ZINC000773170913	627864712	/nfs/dbraw/zinc/86/47/12/627864712.db2.gz	FQCSNQFNJCYAHG-XGICHPGQSA-N	-1	0	290.271	3.202	20	30		CGEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc3c(c2)CCO3)c1	ZINC000774114401	627947566	/nfs/dbraw/zinc/94/75/66/627947566.db2.gz	KUUYSRXJSHPTMI-GQCTYLIASA-N	-1	0	294.306	3.216	20	30		CGEDRM
O=C([O-])c1csc(/C=C2\Cc3c(cccc3F)C2=O)c1	ZINC000782199561	628624237	/nfs/dbraw/zinc/62/42/37/628624237.db2.gz	HGUSTUGKINWWJG-XBXARRHUSA-N	-1	0	288.299	3.408	20	30		CGEDRM
CC(C)CON=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783856780	628751819	/nfs/dbraw/zinc/75/18/19/628751819.db2.gz	KDSKWANEIYSQTI-UHFFFAOYSA-N	-1	0	255.701	3.045	20	30		CGEDRM
CC[C@@H]1CCC[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000783862129	628752206	/nfs/dbraw/zinc/75/22/06/628752206.db2.gz	IJJRZJWGWXJLEC-NEPJUHHUSA-N	-1	0	275.352	3.394	20	30		CGEDRM
Cc1cccnc1NN=Cc1cccc(Cl)c1[O-]	ZINC000790185730	629191155	/nfs/dbraw/zinc/19/11/55/629191155.db2.gz	LZUOBMKWQSGDCP-UHFFFAOYSA-N	-1	0	261.712	3.195	20	30		CGEDRM
CCC(=NNC(C)c1ccc(-c2ccccc2)o1)C(=O)[O-]	ZINC000793077741	629408001	/nfs/dbraw/zinc/40/80/01/629408001.db2.gz	HPMUZYNWXYMOJL-ZDUSSCGKSA-N	-1	0	286.331	3.123	20	30		CGEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000864183256	629792341	/nfs/dbraw/zinc/79/23/41/629792341.db2.gz	IURCZFQLQJQJJH-ZDUSSCGKSA-N	-1	0	295.766	3.136	20	30		CGEDRM
C=C(Cl)C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000864186841	629794808	/nfs/dbraw/zinc/79/48/08/629794808.db2.gz	YMDZUTUYTJKFTP-GFCCVEGCSA-N	-1	0	299.798	3.225	20	30		CGEDRM
Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2C#N)cc1	ZINC000864244476	629801091	/nfs/dbraw/zinc/80/10/91/629801091.db2.gz	AEUFILUTTMRMLJ-KHPPLWFESA-N	-1	0	298.367	3.279	20	30		CGEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)oc1C	ZINC000799896885	630240594	/nfs/dbraw/zinc/24/05/94/630240594.db2.gz	ZVCODXMFVAXUPQ-VMPITWQZSA-N	-1	0	270.284	3.491	20	30		CGEDRM
CCc1ccccc1NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800810887	630301231	/nfs/dbraw/zinc/30/12/31/630301231.db2.gz	YQIIXGGLEUWENE-UHFFFAOYSA-N	-1	0	271.320	3.030	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC2(F)CCC2)c1	ZINC000806550903	630565872	/nfs/dbraw/zinc/56/58/72/630565872.db2.gz	OGOSUEPMNQDOTM-OQLLNIDSSA-N	-1	0	266.272	3.002	20	30		CGEDRM
CC(C)OCCON=C1C[C@H](C)c2c1c(O)ccc2F	ZINC000812240606	631229888	/nfs/dbraw/zinc/22/98/88/631229888.db2.gz	WNJGXYMEKWBGAI-JTQLQIEISA-N	-1	0	281.327	3.184	20	30		CGEDRM
Cn1cc(C=CC(=O)c2sccc2[O-])c(C(F)F)n1	ZINC000812241698	631231068	/nfs/dbraw/zinc/23/10/68/631231068.db2.gz	IGAVBCXUSYWIHX-NSCUHMNNSA-N	-1	0	284.287	3.021	20	30		CGEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccccc1	ZINC000814684038	631622055	/nfs/dbraw/zinc/62/20/55/631622055.db2.gz	AVDUWSYOTZWMBB-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
CC(=NNc1ccccc1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814684408	631622063	/nfs/dbraw/zinc/62/20/63/631622063.db2.gz	RLMOMNIQKXOUBB-ZDUSSCGKSA-N	-1	0	298.342	3.375	20	30		CGEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H](C)C2CCCCC2)n1	ZINC000814682269	631622143	/nfs/dbraw/zinc/62/21/43/631622143.db2.gz	HPPMNVWMSILJTH-SNVBAGLBSA-N	-1	0	262.357	3.105	20	30		CGEDRM
C[C@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1C	ZINC000814689889	631624211	/nfs/dbraw/zinc/62/42/11/631624211.db2.gz	KAOFGRSMGITTEE-YUMQZZPRSA-N	-1	0	266.728	3.482	20	30		CGEDRM
Cc1cc(C)cc(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814753131	631633571	/nfs/dbraw/zinc/63/35/71/631633571.db2.gz	GLXNNYOXYMGTTI-UHFFFAOYSA-N	-1	0	268.316	3.448	20	30		CGEDRM
N#Cc1cccc(NN=Cc2cccc(C(=O)[O-])c2Cl)c1	ZINC000814786686	631639831	/nfs/dbraw/zinc/63/98/31/631639831.db2.gz	PMMTXDZOZSIVAH-UHFFFAOYSA-N	-1	0	299.717	3.356	20	30		CGEDRM
CCCCNN=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814805929	631644258	/nfs/dbraw/zinc/64/42/58/631644258.db2.gz	QYEWGXDXBBAITR-UHFFFAOYSA-N	-1	0	292.379	3.044	20	30		CGEDRM
C[C@@H]1C(=NNCc2ccccc2Cl)CC[C@H]1CC(=O)[O-]	ZINC000814813049	631646996	/nfs/dbraw/zinc/64/69/96/631646996.db2.gz	TWFXIVAFJANQJH-QWRGUYRKSA-N	-1	0	294.782	3.306	20	30		CGEDRM
C[C@H]1C(N=Nc2cccc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814815350	631648125	/nfs/dbraw/zinc/64/81/25/631648125.db2.gz	UYJWDNJRWZMGHC-ZJUUUORDSA-N	-1	0	264.300	3.114	20	30		CGEDRM
Cc1c(NN=Cc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000814834068	631652164	/nfs/dbraw/zinc/65/21/64/631652164.db2.gz	PBJGVSSHXPIHCZ-UHFFFAOYSA-N	-1	0	299.286	3.047	20	30		CGEDRM
C[C@H]1C(=NOCc2cccnc2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814884266	631664017	/nfs/dbraw/zinc/66/40/17/631664017.db2.gz	TXMCEPWRNHMASA-AAEUAGOBSA-N	-1	0	290.363	3.111	20	30		CGEDRM
COc1ccc(NN=C(C)c2cc(C(=O)[O-])cs2)cc1	ZINC000814885404	631664656	/nfs/dbraw/zinc/66/46/56/631664656.db2.gz	ZIARULHQBZZXBE-UHFFFAOYSA-N	-1	0	290.344	3.291	20	30		CGEDRM
CC(C)(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CS1	ZINC000814889924	631666441	/nfs/dbraw/zinc/66/64/41/631666441.db2.gz	DTNQJLUEZXOTLV-LLVKDONJSA-N	-1	0	293.392	3.099	20	30		CGEDRM
O=C([O-])c1ccc(N=NC2CC(c3ccccc3)C2)nc1	ZINC000814890263	631666749	/nfs/dbraw/zinc/66/67/49/631666749.db2.gz	KBBBIZMMAWRSGN-UHFFFAOYSA-N	-1	0	281.315	3.125	20	30		CGEDRM
CC(C)(C)CCNN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814901464	631671877	/nfs/dbraw/zinc/67/18/77/631671877.db2.gz	OFZAQSHSOUTVRF-UHFFFAOYSA-N	-1	0	282.771	3.398	20	30		CGEDRM
C[C@@H]1C(=NN[C@@H]2CCCCC2(C)C)CC[C@@H]1CC(=O)[O-]	ZINC000814917064	631681316	/nfs/dbraw/zinc/68/13/16/631681316.db2.gz	HIQZEXRKSWWSKC-OUCADQQQSA-N	-1	0	280.412	3.422	20	30		CGEDRM
CC(N=Nc1cccc(F)n1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814928184	631686574	/nfs/dbraw/zinc/68/65/74/631686574.db2.gz	ZRVUFIJWLKZTPQ-MNOVXSKESA-N	-1	0	293.342	3.146	20	30		CGEDRM
O=C([O-])c1cccc(C=NOC/C=C/Cl)c1Cl	ZINC000814934191	631688826	/nfs/dbraw/zinc/68/88/26/631688826.db2.gz	OCPWZZJAPDKPDN-UAXPWUOOSA-N	-1	0	274.103	3.141	20	30		CGEDRM
C[C@H]1C(=NOC2CCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814936512	631690616	/nfs/dbraw/zinc/69/06/16/631690616.db2.gz	WLSPQUMQCYUYFS-ONGXEEELSA-N	-1	0	253.342	3.068	20	30		CGEDRM
CC(F)(F)C(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000815544436	631792552	/nfs/dbraw/zinc/79/25/52/631792552.db2.gz	VAVBWYNSKMWUJJ-SECBINFHSA-N	-1	0	292.207	3.041	20	30		CGEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C(F)=C3CCCC3)nc1-2	ZINC000815961841	631844619	/nfs/dbraw/zinc/84/46/19/631844619.db2.gz	BLRFJUSCTGHGBU-LLVKDONJSA-N	-1	0	298.321	3.240	20	30		CGEDRM
N#C[C@H]1CC[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000818992553	632360942	/nfs/dbraw/zinc/36/09/42/632360942.db2.gz	QRZWNIRRPIJSGF-OZQIQIQNSA-N	-1	0	293.710	3.065	20	30		CGEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc3oncc3c2)cs1	ZINC000821040151	632716030	/nfs/dbraw/zinc/71/60/30/632716030.db2.gz	WDROKLIBFZFSPC-HNQUOIGGSA-N	-1	0	299.307	3.484	20	30		CGEDRM
C[C@@H]1CCCC[C@H]1CN=Nc1ccc(-c2nn[nH]n2)cc1	ZINC000824939981	633308250	/nfs/dbraw/zinc/30/82/50/633308250.db2.gz	YQULSLVZVOBYJT-YPMHNXCESA-N	-1	0	284.367	3.091	20	30		CGEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCCOC1	ZINC000872379555	634126337	/nfs/dbraw/zinc/12/63/37/634126337.db2.gz	CIERBNLISSTESC-LLVKDONJSA-N	-1	0	294.326	3.128	20	30		CGEDRM
CSCC1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000834967296	634297486	/nfs/dbraw/zinc/29/74/86/634297486.db2.gz	WWWQRQYXVCAIME-UHFFFAOYSA-N	-1	0	293.392	3.101	20	30		CGEDRM
C[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835008677	634313206	/nfs/dbraw/zinc/31/32/06/634313206.db2.gz	MQZWOGHHOGBYRF-QMMMGPOBSA-N	-1	0	250.273	3.112	20	30		CGEDRM
CCC[C@H](C)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010228	634314464	/nfs/dbraw/zinc/31/44/64/634314464.db2.gz	UGICJDSYKDIYOE-VIFPVBQESA-N	-1	0	252.289	3.358	20	30		CGEDRM
CC(N=Nc1ncc(F)cc1F)[C@@H](C)CCCCC(=O)[O-]	ZINC000835023198	634324069	/nfs/dbraw/zinc/32/40/69/634324069.db2.gz	CJQBCISPARVPKJ-VIFPVBQESA-N	-1	0	299.321	3.429	20	30		CGEDRM
CC(C)(C)C#CC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000837477083	634917171	/nfs/dbraw/zinc/91/71/71/634917171.db2.gz	YIWMVWXPFQHQOW-UHFFFAOYSA-N	-1	0	274.345	3.105	20	30		CGEDRM
O=C(C#CC1CC1)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000837506909	634922614	/nfs/dbraw/zinc/92/26/14/634922614.db2.gz	VBOTVUPYGLPPSJ-UHFFFAOYSA-N	-1	0	270.115	3.051	20	30		CGEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCC[C@H]2F)c1	ZINC000840712215	635039843	/nfs/dbraw/zinc/03/98/43/635039843.db2.gz	GXXANCGKBOEBNH-GTZAAGPCSA-N	-1	0	266.272	3.000	20	30		CGEDRM
C[C@H]1C[C@@H]1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845833696	636104558	/nfs/dbraw/zinc/10/45/58/636104558.db2.gz	HUNOXPWRSJERSC-ZMLRMANQSA-N	-1	0	287.384	3.174	20	30		CGEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)Sc1ccccc1	ZINC000846538104	636195387	/nfs/dbraw/zinc/19/53/87/636195387.db2.gz	FELZOHYIZBEADX-CYBMUJFWSA-N	-1	0	265.378	3.181	20	30		CGEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	ZINC000846550503	636200378	/nfs/dbraw/zinc/20/03/78/636200378.db2.gz	OSCKIKXPVRAYJC-QWRGUYRKSA-N	-1	0	283.755	3.038	20	30		CGEDRM
O=C([O-])Cc1ccc(N=NC2CCC[C@H]2CCF)cc1	ZINC000848414329	636570913	/nfs/dbraw/zinc/57/09/13/636570913.db2.gz	LYHAZONZAZYNGY-LBPRGKRZSA-N	-1	0	278.327	3.241	20	30		CGEDRM
CC(C)(C#N)[C@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415160	636571272	/nfs/dbraw/zinc/57/12/72/636571272.db2.gz	YDRHETXPIRVNHN-AWEZNQCLSA-N	-1	0	299.374	3.431	20	30		CGEDRM
C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056615	636781136	/nfs/dbraw/zinc/78/11/36/636781136.db2.gz	PZPBDDWJAQHDMM-GFCCVEGCSA-N	-1	0	295.404	3.094	20	30		CGEDRM
C=CCCC[C@H](NC(=O)CCCC(=O)[O-])c1ccccc1	ZINC000887315341	637794443	/nfs/dbraw/zinc/79/44/43/637794443.db2.gz	RDDVFWCXTNANMH-HNNXBMFYSA-N	-1	0	289.375	3.455	20	30		CGEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC000853354377	637821928	/nfs/dbraw/zinc/82/19/28/637821928.db2.gz	GUHABKDAZARXAR-AWEZNQCLSA-N	-1	0	294.326	3.127	20	30		CGEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc(Cl)cn1	ZINC000853435904	637840843	/nfs/dbraw/zinc/84/08/43/637840843.db2.gz	UQBPIYLMJZRSHH-RKDXNWHRSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@@H]1CC(N=Nc2ccc(Cl)cn2)CC[C@@H]1C(=O)[O-]	ZINC000853436320	637841308	/nfs/dbraw/zinc/84/13/08/637841308.db2.gz	XIBOLOXOXNFAKW-KCJUWKMLSA-N	-1	0	281.743	3.024	20	30		CGEDRM
C[C@H]1C(=NOCC2CCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000853441271	637844891	/nfs/dbraw/zinc/84/48/91/637844891.db2.gz	VBFHTPXHGUTWMM-JQWIXIFHSA-N	-1	0	267.369	3.316	20	30		CGEDRM
C[C@H]1C(=NOCC2CCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000853441270	637845040	/nfs/dbraw/zinc/84/50/40/637845040.db2.gz	VBFHTPXHGUTWMM-CMPLNLGQSA-N	-1	0	267.369	3.316	20	30		CGEDRM
C=CCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000113651202	638248714	/nfs/dbraw/zinc/24/87/14/638248714.db2.gz	WXGDWXAFGPQSFL-ZDUSSCGKSA-N	-1	0	280.327	3.334	20	30		CGEDRM
C=CCCO[N-]C(=O)C(F)(F)c1ccccc1OC(C)C	ZINC000856028142	638286215	/nfs/dbraw/zinc/28/62/15/638286215.db2.gz	MJMVPXMXSSWSBZ-UHFFFAOYSA-N	-1	0	299.317	3.190	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1cc(C)ccc1Cl	ZINC000856030819	638286950	/nfs/dbraw/zinc/28/69/50/638286950.db2.gz	SFIMDVSKECVNBM-NSHDSACASA-N	-1	0	283.755	3.040	20	30		CGEDRM
C=CCCO[N-]C(=O)[C@H](c1ccc(F)cc1)C(C)C	ZINC000856034356	638289300	/nfs/dbraw/zinc/28/93/00/638289300.db2.gz	LTHAKCVKVSZTBK-AWEZNQCLSA-N	-1	0	265.328	3.189	20	30		CGEDRM
C=CCCN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935573608	639830998	/nfs/dbraw/zinc/83/09/98/639830998.db2.gz	QHKDCRDCFSAMAM-UHFFFAOYSA-N	-1	0	274.147	3.347	20	30		CGEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccsc1	ZINC000042319701	639915188	/nfs/dbraw/zinc/91/51/88/639915188.db2.gz	MYPAWROOPCFIHU-VQHVLOKHSA-N	-1	0	293.369	3.053	20	30		CGEDRM
CCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000048514394	640056112	/nfs/dbraw/zinc/05/61/12/640056112.db2.gz	KNQZACAFQOFVJX-UHFFFAOYSA-N	-1	0	295.282	3.151	20	30		CGEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000076756871	640212529	/nfs/dbraw/zinc/21/25/29/640212529.db2.gz	BMYFPKAYLAGVAV-LLVKDONJSA-N	-1	0	299.392	3.167	20	30		CGEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C	ZINC000077882306	640266561	/nfs/dbraw/zinc/26/65/61/640266561.db2.gz	MOTGDXUHOUITOS-SNVBAGLBSA-N	-1	0	269.366	3.080	20	30		CGEDRM
O=C([O-])c1ccc(NN=Cc2c[nH]c3ccccc23)cc1	ZINC000254483429	640912017	/nfs/dbraw/zinc/91/20/17/640912017.db2.gz	DAXYZVVAVPRWNS-UHFFFAOYSA-N	-1	0	279.299	3.312	20	30		CGEDRM
Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccnc1	ZINC000254631062	640913608	/nfs/dbraw/zinc/91/36/08/640913608.db2.gz	OTNDQPRKRKOFQN-UHFFFAOYSA-N	-1	0	299.334	3.024	20	30		CGEDRM
N#Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1F	ZINC001250636046	805741058	/nfs/dbraw/zinc/74/10/58/805741058.db2.gz	QMXXKOADBFEPOE-UHFFFAOYSA-N	-1	0	277.201	3.341	20	30		CGEDRM
N#Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1F	ZINC001250636573	805742070	/nfs/dbraw/zinc/74/20/70/805742070.db2.gz	JCWNLNNHAPSSLI-UHFFFAOYSA-N	-1	0	259.211	3.202	20	30		CGEDRM
N#Cc1ccc([O-])c(-c2nc3cc(Cl)ccc3[nH]2)c1	ZINC001251180447	805859077	/nfs/dbraw/zinc/85/90/77/805859077.db2.gz	WHXLOUXBHACVAT-UHFFFAOYSA-N	-1	0	269.691	3.461	20	30		CGEDRM
C=CCC[C@H](O)CNc1ccc(Cl)cc1[S-]	ZINC001252609555	806087527	/nfs/dbraw/zinc/08/75/27/806087527.db2.gz	XNWWAPOXINRIIW-JTQLQIEISA-N	-1	0	257.786	3.368	20	30		CGEDRM
CCCCS(=O)(=O)[N-]c1sc2ccccc2c1C#N	ZINC001253787227	806310100	/nfs/dbraw/zinc/31/01/00/806310100.db2.gz	XTAHDCCXUJDFNZ-UHFFFAOYSA-N	-1	0	294.401	3.315	20	30		CGEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]c2sccc2C#N)c1	ZINC001254702922	806486287	/nfs/dbraw/zinc/48/62/87/806486287.db2.gz	XZIXJZKHUHBNFK-UHFFFAOYSA-N	-1	0	292.385	3.037	20	30		CGEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cccs1	ZINC000038321587	798886397	/nfs/dbraw/zinc/88/63/97/798886397.db2.gz	ODEZUHNIPBKPIE-GQCTYLIASA-N	-1	0	275.285	3.258	20	30		CGEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccco1	ZINC000125394260	799001835	/nfs/dbraw/zinc/00/18/35/799001835.db2.gz	SUFKQYXNBLPKMG-LBPRGKRZSA-N	-1	0	292.294	3.275	20	30		CGEDRM
COc1ccc(C=CC(=O)c2sccc2[O-])cc1OC	ZINC000588495741	799701940	/nfs/dbraw/zinc/70/19/40/799701940.db2.gz	IOADHYAXXAABBC-HYXAFXHYSA-N	-1	0	290.340	3.367	20	30		CGEDRM
Cc1cccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000809152876	800412851	/nfs/dbraw/zinc/41/28/51/800412851.db2.gz	MBQFNZXAWHKBQK-ALCCZGGFSA-N	-1	0	282.295	3.295	20	30		CGEDRM
CC(C)Cc1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC001122831378	802888947	/nfs/dbraw/zinc/88/89/47/802888947.db2.gz	QDSHSQVMCYCHND-LBPRGKRZSA-N	-1	0	285.372	3.227	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001244177207	803227072	/nfs/dbraw/zinc/22/70/72/803227072.db2.gz	ZDSPXNGPADOGQD-VLGSPTGOSA-N	-1	0	297.310	3.185	20	30		CGEDRM
COc1cc(C(=O)[O-])cc(-c2cc(F)cc(CC#N)c2)c1	ZINC001244178365	803227540	/nfs/dbraw/zinc/22/75/40/803227540.db2.gz	JLNCHXLZPGNOKU-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#CCOc1ccc(-c2cc(F)c([O-])c(Cl)c2)nc1	ZINC001244499841	803405136	/nfs/dbraw/zinc/40/51/36/803405136.db2.gz	LGDCNNZGOLWCIJ-UHFFFAOYSA-N	-1	0	278.670	3.149	20	30		CGEDRM
COc1cnc(-c2cc(C)c([O-])c(Cl)c2)c(C#N)c1	ZINC001244531939	803423286	/nfs/dbraw/zinc/42/32/86/803423286.db2.gz	PVOVFGXXOLIJGG-UHFFFAOYSA-N	-1	0	274.707	3.296	20	30		CGEDRM
Cc1ccc(C#N)c(-c2cc(C)c(C(=O)[O-])c(C)c2)n1	ZINC001244945455	803585926	/nfs/dbraw/zinc/58/59/26/803585926.db2.gz	KBDKFYWFROZFMK-UHFFFAOYSA-N	-1	0	266.300	3.244	20	30		CGEDRM
CCc1cc(-c2ccccc2C(=O)[O-])ccc1C#N	ZINC001244952966	803590056	/nfs/dbraw/zinc/59/00/56/803590056.db2.gz	TWYNVYJHEPVJKI-UHFFFAOYSA-N	-1	0	251.285	3.486	20	30		CGEDRM
N#CCc1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1F	ZINC001245316161	803698530	/nfs/dbraw/zinc/69/85/30/803698530.db2.gz	ILKOOLBQPCMTJE-UHFFFAOYSA-N	-1	0	287.265	3.325	20	30		CGEDRM
N#Cc1c(F)ccc(-c2cc(CC(=O)[O-])ccc2F)c1F	ZINC001245319880	803700336	/nfs/dbraw/zinc/70/03/36/803700336.db2.gz	XIECAPWXDJSUJZ-UHFFFAOYSA-N	-1	0	291.228	3.270	20	30		CGEDRM
N#CCc1ccncc1-c1ccc(C(=O)[O-])cc1Cl	ZINC001245373750	803718399	/nfs/dbraw/zinc/71/83/99/803718399.db2.gz	LQASUZHGWTYCBK-UHFFFAOYSA-N	-1	0	272.691	3.166	20	30		CGEDRM
COc1ccc(-c2cc(Cl)c([O-])cc2F)nc1CC#N	ZINC001245670354	803900607	/nfs/dbraw/zinc/90/06/07/803900607.db2.gz	REOHUFPDFOLMMB-UHFFFAOYSA-N	-1	0	292.697	3.321	20	30		CGEDRM
COc1ccnc(-c2c(F)ccc([O-])c2Cl)c1C#N	ZINC001245827456	803982721	/nfs/dbraw/zinc/98/27/21/803982721.db2.gz	LUMPOTUPYWOZNQ-UHFFFAOYSA-N	-1	0	278.670	3.127	20	30		CGEDRM
Cc1cccc(-n2[n-]c(-c3ccc(C#N)cc3)cc2=O)c1	ZINC001245932619	804063507	/nfs/dbraw/zinc/06/35/07/804063507.db2.gz	JEOBUCKCYHCVHI-UHFFFAOYSA-N	-1	0	275.311	3.425	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3cccc(Cl)n3)[n-]2)c1	ZINC001245937077	804067892	/nfs/dbraw/zinc/06/78/92/804067892.db2.gz	JJHRSAQLMAHKEL-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(-c3ccc(Cl)nc3)[n-]2)c1	ZINC001245937747	804069588	/nfs/dbraw/zinc/06/95/88/804069588.db2.gz	UGMWVCXHMXASJO-UHFFFAOYSA-N	-1	0	296.717	3.165	20	30		CGEDRM
N#Cc1cccc(-c2cc(=O)n(Cc3ccc(F)cc3)[n-]2)c1	ZINC001245938034	804070367	/nfs/dbraw/zinc/07/03/67/804070367.db2.gz	ZHQUFHVDUOGSPD-UHFFFAOYSA-N	-1	0	293.301	3.315	20	30		CGEDRM
N#Cc1ccc(-n2[n-]c(-c3ccsc3)cc2=O)cc1	ZINC001245949020	804084734	/nfs/dbraw/zinc/08/47/34/804084734.db2.gz	MEEAWSQVQMPHCX-UHFFFAOYSA-N	-1	0	267.313	3.178	20	30		CGEDRM
C#CCCc1cc(=O)n(-c2cc(Cl)ccc2Cl)[n-]1	ZINC001245951318	804086625	/nfs/dbraw/zinc/08/66/25/804086625.db2.gz	CPXCBJVZZNFYDW-UHFFFAOYSA-N	-1	0	281.142	3.451	20	30		CGEDRM
CSc1ccccc1[N-]C(=S)N1CC[C@](C)(C#N)C1	ZINC001249699875	805218424	/nfs/dbraw/zinc/21/84/24/805218424.db2.gz	NTBDDCDCJCPADQ-CQSZACIVSA-N	-1	0	291.445	3.341	20	30		CGEDRM
Cc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3O)cc2c1	ZINC001149488748	805234981	/nfs/dbraw/zinc/23/49/81/805234981.db2.gz	UGFLROVJLFHZBG-UHFFFAOYSA-N	-1	0	291.310	3.306	20	30		CGEDRM
CCCCCCCCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001149786318	805243222	/nfs/dbraw/zinc/24/32/22/805243222.db2.gz	YGAFSWKMZDEURE-UHFFFAOYSA-N	-1	0	281.400	3.294	20	30		CGEDRM
Cc1ccc(C#N)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001249902983	805291687	/nfs/dbraw/zinc/29/16/87/805291687.db2.gz	STSOSGKEJDEWKB-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
N#Cc1ccccc1Nc1cc([O-])c(F)c(F)c1F	ZINC001249962331	805328324	/nfs/dbraw/zinc/32/83/24/805328324.db2.gz	KDBIABMSAVGBMO-UHFFFAOYSA-N	-1	0	264.206	3.425	20	30		CGEDRM
N#Cc1cccc(Cc2c(F)cc(F)c([O-])c2F)c1	ZINC001250048557	805388034	/nfs/dbraw/zinc/38/80/34/805388034.db2.gz	CTFUNRYMZDYOGJ-UHFFFAOYSA-N	-1	0	263.218	3.272	20	30		CGEDRM
C=CC(C)(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001154223988	805440613	/nfs/dbraw/zinc/44/06/13/805440613.db2.gz	OJWXZXFIAXCVEH-UHFFFAOYSA-N	-1	0	292.335	3.023	20	30		CGEDRM
N#Cc1ccc(Cn2[n-]c(C3CCCCC3)cc2=O)cc1	ZINC001261890970	807798676	/nfs/dbraw/zinc/79/86/76/807798676.db2.gz	VGGQCTUSMJLAMS-UHFFFAOYSA-N	-1	0	281.359	3.227	20	30		CGEDRM
CC(=O)c1cccc(Nc2scc([O-])c2C#N)c1	ZINC001173901084	808752475	/nfs/dbraw/zinc/75/24/75/808752475.db2.gz	PWGKNVTUPRHRRX-UHFFFAOYSA-N	-1	0	258.302	3.272	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1c(C#N)cccc1OC	ZINC001174675996	809125765	/nfs/dbraw/zinc/12/57/65/809125765.db2.gz	ARDFPYFBLMMCSJ-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1	ZINC001174677459	809126924	/nfs/dbraw/zinc/12/69/24/809126924.db2.gz	YVIHJDSTEWUJAC-UHFFFAOYSA-N	-1	0	297.310	3.149	20	30		CGEDRM
COc1cc(C(=O)[O-])ccc1Nc1ccccc1CC#N	ZINC001174676517	809127029	/nfs/dbraw/zinc/12/70/29/809127029.db2.gz	LNCSIWGOFPBMLS-UHFFFAOYSA-N	-1	0	282.299	3.203	20	30		CGEDRM
N#Cc1ccc(F)c(Nc2ccc(C(=O)[O-])s2)c1	ZINC001174809157	809168074	/nfs/dbraw/zinc/16/80/74/809168074.db2.gz	CESWZLQGHGIDRI-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
CN(C)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001174878632	809186715	/nfs/dbraw/zinc/18/67/15/809186715.db2.gz	IMHKKWKCCJNYPM-UHFFFAOYSA-N	-1	0	271.295	3.213	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1cc(C(=O)[O-])ccc1C	ZINC001174984008	809226541	/nfs/dbraw/zinc/22/65/41/809226541.db2.gz	IPKKHNZELQGWCM-UHFFFAOYSA-N	-1	0	282.299	3.317	20	30		CGEDRM
COc1cccc(C#N)c1Nc1ccc(C(=O)[O-])c(F)c1	ZINC001175158197	809292630	/nfs/dbraw/zinc/29/26/30/809292630.db2.gz	PLNOTWBEYISZPW-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
N#CCc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1F	ZINC001175161966	809293301	/nfs/dbraw/zinc/29/33/01/809293301.db2.gz	OQCRVTRMCZUYFY-UHFFFAOYSA-N	-1	0	288.253	3.473	20	30		CGEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC001175160918	809293375	/nfs/dbraw/zinc/29/33/75/809293375.db2.gz	VPLYNHABKKKDRZ-UHFFFAOYSA-N	-1	0	281.246	3.011	20	30		CGEDRM
COc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001175218842	809311776	/nfs/dbraw/zinc/31/17/76/809311776.db2.gz	NQJJUFMLKBQORI-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
Cc1ccc(C#N)cc1Nc1ccc(F)c(C(=O)[O-])c1	ZINC001175219911	809312750	/nfs/dbraw/zinc/31/27/50/809312750.db2.gz	IDAWDXBHFSQBAS-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1nc(C#N)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC001175315064	809351541	/nfs/dbraw/zinc/35/15/41/809351541.db2.gz	LVZDGUYKMCPSTR-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1oc(Nc2cccc(C(=O)[O-])c2)c(C#N)c1C	ZINC001175327103	809355622	/nfs/dbraw/zinc/35/56/22/809355622.db2.gz	ACUDLCOVLICOIN-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
COc1cc(C#N)c(Nc2cccc(C(=O)[O-])c2)cc1OC	ZINC001175328968	809357122	/nfs/dbraw/zinc/35/71/22/809357122.db2.gz	FVONKACUULUONB-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1ccc(Nc2cncc(C(=O)[O-])c2)cc1Cl	ZINC001175842046	809554420	/nfs/dbraw/zinc/55/44/20/809554420.db2.gz	LLXNSMMKAAICLQ-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
Cc1csc(CCC(=O)Nc2ccc(O)c(C#N)c2)c1	ZINC001176182152	809641849	/nfs/dbraw/zinc/64/18/49/809641849.db2.gz	FBUCPMYWWOMMJA-UHFFFAOYSA-N	-1	0	286.356	3.205	20	30		CGEDRM
Cc1coc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1C#N	ZINC001176586468	809724477	/nfs/dbraw/zinc/72/44/77/809724477.db2.gz	ILENUIHYUHIQTQ-UHFFFAOYSA-N	-1	0	282.299	3.320	20	30		CGEDRM
Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cnc1C#N	ZINC001176586475	809724776	/nfs/dbraw/zinc/72/47/76/809724776.db2.gz	ITLCXQSBCLJHBL-UHFFFAOYSA-N	-1	0	293.326	3.122	20	30		CGEDRM
Cc1ccnc(C#N)c1Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC001176592393	809725365	/nfs/dbraw/zinc/72/53/65/809725365.db2.gz	CTVMBFNBUHEZJK-QPJJXVBHSA-N	-1	0	279.299	3.103	20	30		CGEDRM
N#Cc1cccc(F)c1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213628115	815313284	/nfs/dbraw/zinc/31/32/84/815313284.db2.gz	YKBWPFVRXOYPNF-UHFFFAOYSA-N	-1	0	284.290	3.458	20	30		CGEDRM
N#Cc1ncc(Nc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC001176710003	809746149	/nfs/dbraw/zinc/74/61/49/809746149.db2.gz	PZOAIEUWSKDOGN-UHFFFAOYSA-N	-1	0	273.679	3.048	20	30		CGEDRM
CC(C)Oc1ncccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001176738400	809755225	/nfs/dbraw/zinc/75/52/25/809755225.db2.gz	ZNTKNQYBALACPZ-UHFFFAOYSA-N	-1	0	287.294	3.329	20	30		CGEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1[S-]	ZINC001183607389	810154883	/nfs/dbraw/zinc/15/48/83/810154883.db2.gz	CDKSRFNUWJXGMI-LBPRGKRZSA-N	-1	0	298.367	3.002	20	30		CGEDRM
CC(C)CCC[C@@H](C)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246298	810185044	/nfs/dbraw/zinc/18/50/44/810185044.db2.gz	OJZQPEXNVKGBHG-CQSZACIVSA-N	-1	0	276.400	3.367	20	30		CGEDRM
Cn1ccc2cc(NC(=O)CCC(=O)C3=CC=C[CH]3)ccc21	ZINC001184245735	810185257	/nfs/dbraw/zinc/18/52/57/810185257.db2.gz	ZENVLLKPYZRGPW-UHFFFAOYSA-N	-1	0	293.346	3.167	20	30		CGEDRM
CCc1nnc([N-]c2ccc(C#N)cc2Cl)s1	ZINC001213989513	815355105	/nfs/dbraw/zinc/35/51/05/815355105.db2.gz	CCYQILGPXAJVEZ-UHFFFAOYSA-N	-1	0	264.741	3.369	20	30		CGEDRM
Cc1ccc(CNC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1	ZINC001185406727	810261983	/nfs/dbraw/zinc/26/19/83/810261983.db2.gz	MNNKTHOGFCLFBC-UHFFFAOYSA-N	-1	0	299.305	3.033	20	30		CGEDRM
CCc1ccccc1NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001187636303	810411569	/nfs/dbraw/zinc/41/15/69/810411569.db2.gz	MSFLVPMEGNKLJJ-UHFFFAOYSA-N	-1	0	281.315	3.470	20	30		CGEDRM
Cc1ccc(NC(=O)Nc2ccc(O)cc2C#N)cc1F	ZINC001187989904	810438286	/nfs/dbraw/zinc/43/82/86/810438286.db2.gz	VQCSGJQKOAHWJN-UHFFFAOYSA-N	-1	0	285.278	3.355	20	30		CGEDRM
N#CCS(=O)(=O)[N-]c1c2ccccc2cc2ccccc21	ZINC001192985427	810839260	/nfs/dbraw/zinc/83/92/60/810839260.db2.gz	DEUPOBCRJWTZDG-UHFFFAOYSA-N	-1	0	296.351	3.258	20	30		CGEDRM
CC(C)(NC(=O)c1ccc([O-])c(C#N)c1)c1cccc(F)c1	ZINC001193515449	810901683	/nfs/dbraw/zinc/90/16/83/810901683.db2.gz	NEGLUGNFBNKYFE-UHFFFAOYSA-N	-1	0	298.317	3.068	20	30		CGEDRM
C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(C#N)c2)CC(C)(C)C1	ZINC001193516130	810902216	/nfs/dbraw/zinc/90/22/16/810902216.db2.gz	ZSFBEJWUHFXTFI-SMDDNHRTSA-N	-1	0	286.375	3.208	20	30		CGEDRM
COCOc1ccc(C)c(Nc2scc([O-])c2C#N)c1	ZINC001214359546	815400802	/nfs/dbraw/zinc/40/08/02/815400802.db2.gz	NPTDQBAMGMKUAA-UHFFFAOYSA-N	-1	0	290.344	3.360	20	30		CGEDRM
N#Cc1ccc([O-])c(NC(=S)Nc2cccc(F)c2)c1	ZINC001197644005	811441733	/nfs/dbraw/zinc/44/17/33/811441733.db2.gz	GCLXQJQTDUHPDZ-UHFFFAOYSA-N	-1	0	287.319	3.212	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1c([O-])cc(F)cc1F	ZINC001201584019	811913432	/nfs/dbraw/zinc/91/34/32/811913432.db2.gz	JVMMHKLNZUJIMQ-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
COc1ccc(C#N)cc1Nc1ccc(F)c(F)c1[O-]	ZINC001201590475	811916023	/nfs/dbraw/zinc/91/60/23/811916023.db2.gz	LDZWJRBTZGXWQH-UHFFFAOYSA-N	-1	0	276.242	3.294	20	30		CGEDRM
N#Cc1cc(Cl)cc(Nc2cc(C(=O)[O-])cnc2F)c1	ZINC001215131671	815486644	/nfs/dbraw/zinc/48/66/44/815486644.db2.gz	LULZUZDHSFNLAA-UHFFFAOYSA-N	-1	0	291.669	3.188	20	30		CGEDRM
CCc1cc(C#N)ccc1Nc1cc(C(=O)[O-])cnc1F	ZINC001215128396	815486935	/nfs/dbraw/zinc/48/69/35/815486935.db2.gz	QRWAWYBXHICFHW-UHFFFAOYSA-N	-1	0	285.278	3.097	20	30		CGEDRM
COc1ccc(C#N)c(Nc2ccsc2C(=O)[O-])c1	ZINC001215393985	815515614	/nfs/dbraw/zinc/51/56/14/815515614.db2.gz	DWXKKUZSUHUFGG-UHFFFAOYSA-N	-1	0	274.301	3.070	20	30		CGEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC001203292220	812295971	/nfs/dbraw/zinc/29/59/71/812295971.db2.gz	HYIUPKIVLRAKAL-UHFFFAOYSA-N	-1	0	285.274	3.280	20	30		CGEDRM
N#Cc1cccc(C#N)c1Nc1cc(F)c([O-])cc1F	ZINC001215571748	815537766	/nfs/dbraw/zinc/53/77/66/815537766.db2.gz	KGCOIKPTMWPQBG-UHFFFAOYSA-N	-1	0	271.226	3.157	20	30		CGEDRM
COC(=O)c1c(F)ccc(-c2ccccc2C=N[O-])c1F	ZINC001204755762	812727454	/nfs/dbraw/zinc/72/74/54/812727454.db2.gz	ZYRGWHMIMLDHPW-UHFFFAOYSA-N	-1	0	291.253	3.227	20	30		CGEDRM
N#CCc1cccc(-c2ccsc2C(=O)[O-])c1F	ZINC001205572489	813007674	/nfs/dbraw/zinc/00/76/74/813007674.db2.gz	KQVVTHWJFBTMSQ-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
Cn1ccc2cc(Nc3cc(C#N)c(F)cc3[O-])cnc21	ZINC001205774014	813073986	/nfs/dbraw/zinc/07/39/86/813073986.db2.gz	WUXCVRYLCLZFEA-UHFFFAOYSA-N	-1	0	282.278	3.033	20	30		CGEDRM
C=CCn1ccc2c1ncnc2-c1ccc(O)cc1F	ZINC001206029588	813171318	/nfs/dbraw/zinc/17/13/18/813171318.db2.gz	DVCIUSKHSBBZSF-UHFFFAOYSA-N	-1	0	269.279	3.129	20	30		CGEDRM
N#Cc1cc(Nc2c([S-])cccc2Cl)ccn1	ZINC001206638782	813382062	/nfs/dbraw/zinc/38/20/62/813382062.db2.gz	AOIAEPJSSACKDQ-UHFFFAOYSA-N	-1	0	261.737	3.061	20	30		CGEDRM
C=CCOc1ccc(-c2cc(F)c([O-])cc2F)nc1C#N	ZINC001206776054	813435302	/nfs/dbraw/zinc/43/53/02/813435302.db2.gz	YCZBNVYXXHBGDY-UHFFFAOYSA-N	-1	0	288.253	3.169	20	30		CGEDRM
N#Cc1ccsc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209887443	814188750	/nfs/dbraw/zinc/18/87/50/814188750.db2.gz	ZMSBLOGRFQXILO-UHFFFAOYSA-N	-1	0	262.265	3.201	20	30		CGEDRM
COc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1C#N	ZINC001209889833	814189738	/nfs/dbraw/zinc/18/97/38/814189738.db2.gz	UFJBJCLONXWUCM-UHFFFAOYSA-N	-1	0	286.262	3.148	20	30		CGEDRM
CNc1ccc(C#N)cc1Nc1cc(F)cc(C(=O)[O-])c1	ZINC001209890212	814190336	/nfs/dbraw/zinc/19/03/36/814190336.db2.gz	DRIYTYXOBOGHSM-UHFFFAOYSA-N	-1	0	285.278	3.181	20	30		CGEDRM
COc1cc(C#N)cc(Nc2cc(C(=O)[O-])ccc2OC)c1	ZINC001210260962	814371229	/nfs/dbraw/zinc/37/12/29/814371229.db2.gz	QCLYIIOAYQUPOI-UHFFFAOYSA-N	-1	0	298.298	3.017	20	30		CGEDRM
N#Cc1c(F)ccc(F)c1Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC001210398502	814444089	/nfs/dbraw/zinc/44/40/89/814444089.db2.gz	GPZXIFBDAAMWLP-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
N#Cc1cc(F)c(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC001210401176	814447206	/nfs/dbraw/zinc/44/72/06/814447206.db2.gz	QVRRWIRJBXLTKN-UHFFFAOYSA-N	-1	0	291.213	3.194	20	30		CGEDRM
Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(C#N)c1	ZINC001210568182	814531939	/nfs/dbraw/zinc/53/19/39/814531939.db2.gz	CSWAFLJBPPMYCD-UHFFFAOYSA-N	-1	0	267.263	3.327	20	30		CGEDRM
N#Cc1cc(Nc2ccnc(OC3CC3)c2)c([O-])cc1F	ZINC001210749387	814610477	/nfs/dbraw/zinc/61/04/77/814610477.db2.gz	AZLUGXPEAJXPPL-UHFFFAOYSA-N	-1	0	285.278	3.083	20	30		CGEDRM
N#Cc1cc(-c2cccc([O-])c2Cl)nc(C2CC2)n1	ZINC001242799341	823135815	/nfs/dbraw/zinc/13/58/15/823135815.db2.gz	GJHQWESOJJFTBB-UHFFFAOYSA-N	-1	0	271.707	3.252	20	30		CGEDRM
N#Cc1cnoc1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001210924960	814676742	/nfs/dbraw/zinc/67/67/42/814676742.db2.gz	ZBVBZGCPMPTGEA-UHFFFAOYSA-N	-1	0	270.075	3.302	20	30		CGEDRM
N#Cc1c(F)cc(F)cc1Nc1ccccc1C(=O)[O-]	ZINC001210968949	814696415	/nfs/dbraw/zinc/69/64/15/814696415.db2.gz	MOZCAXDXGUMFBV-UHFFFAOYSA-N	-1	0	274.226	3.278	20	30		CGEDRM
COC(=O)c1ccc(-c2cccc([O-])c2Cl)cc1C#N	ZINC001242799586	823136460	/nfs/dbraw/zinc/13/64/60/823136460.db2.gz	SXVJQNNSTNRSAI-UHFFFAOYSA-N	-1	0	287.702	3.371	20	30		CGEDRM
Cc1cc(Nc2c(C)ccnc2C#N)cc(C(=O)[O-])c1	ZINC001211543067	814904447	/nfs/dbraw/zinc/90/44/47/814904447.db2.gz	WFNWNELZTMVPHK-UHFFFAOYSA-N	-1	0	267.288	3.012	20	30		CGEDRM
Cc1ccc(-n2ccc3c2cc(C#N)cc3N)cc1C(=O)[O-]	ZINC001211606759	814917176	/nfs/dbraw/zinc/91/71/76/814917176.db2.gz	YRQZLARXPNZMOI-UHFFFAOYSA-N	-1	0	291.310	3.091	20	30		CGEDRM
Cc1coc(Nc2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001211620825	814919598	/nfs/dbraw/zinc/91/95/98/814919598.db2.gz	IYFPYLYWPJUVHY-UHFFFAOYSA-N	-1	0	256.261	3.210	20	30		CGEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cccc(C#N)c1F	ZINC001211622912	814919881	/nfs/dbraw/zinc/91/98/81/814919881.db2.gz	QZDSVVMGWMVSQA-UHFFFAOYSA-N	-1	0	270.263	3.448	20	30		CGEDRM
Cc1cc(Nc2ccc(O)c(C#N)c2)cc(C)c1C(=O)[O-]	ZINC001216311591	815775896	/nfs/dbraw/zinc/77/58/96/815775896.db2.gz	LIWZYGMDNCPXBZ-UHFFFAOYSA-N	-1	0	282.299	3.323	20	30		CGEDRM
Cc1c(Nc2nc(Cl)ccc2C#N)cccc1C(=O)[O-]	ZINC001216658108	815886750	/nfs/dbraw/zinc/88/67/50/815886750.db2.gz	UCTUGHSZZGSAQS-UHFFFAOYSA-N	-1	0	287.706	3.357	20	30		CGEDRM
Cc1c(Nc2ccc(C#N)cc2C#N)cccc1C(=O)[O-]	ZINC001216662405	815889102	/nfs/dbraw/zinc/88/91/02/815889102.db2.gz	BTJFGZBMPNQQOU-UHFFFAOYSA-N	-1	0	277.283	3.180	20	30		CGEDRM
Cc1c(Nc2ccc(C#N)cc2O)cccc1C(=O)[O-]	ZINC001216661705	815889155	/nfs/dbraw/zinc/88/91/55/815889155.db2.gz	OJEHVLLMQNBDIA-UHFFFAOYSA-N	-1	0	268.272	3.014	20	30		CGEDRM
Cc1cc(C#N)c(Nc2cc(CC(=O)[O-])ccc2F)s1	ZINC001216677600	815891171	/nfs/dbraw/zinc/89/11/71/815891171.db2.gz	ZDRRDCSDWWDMSJ-UHFFFAOYSA-N	-1	0	290.319	3.438	20	30		CGEDRM
COc1ccc(-c2ccccc2C(=O)[O-])c(CC#N)c1	ZINC001242877914	823162063	/nfs/dbraw/zinc/16/20/63/823162063.db2.gz	NVGMDGVAPMMNAI-UHFFFAOYSA-N	-1	0	267.284	3.126	20	30		CGEDRM
N#CCc1ccc(-c2ccccc2C(=O)[O-])c(F)c1	ZINC001242879150	823162432	/nfs/dbraw/zinc/16/24/32/823162432.db2.gz	WKCVYOSYXIFDLM-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1cc(-c2ccccc2C(=O)[O-])cc(F)c1C#N	ZINC001242881900	823163737	/nfs/dbraw/zinc/16/37/37/823163737.db2.gz	QWMIFASJIHLIRZ-UHFFFAOYSA-N	-1	0	271.247	3.071	20	30		CGEDRM
C=C(C)c1ccc(-c2cccc(C(=O)[O-])c2OC)nc1	ZINC001242921433	823172675	/nfs/dbraw/zinc/17/26/75/823172675.db2.gz	NGNZZUXNFFVZFN-UHFFFAOYSA-N	-1	0	269.300	3.489	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cc(F)ccc1CC#N	ZINC001242922799	823173147	/nfs/dbraw/zinc/17/31/47/823173147.db2.gz	MNLRBSZNTBKLIE-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(CS)c1	ZINC001242924268	823173660	/nfs/dbraw/zinc/17/36/60/823173660.db2.gz	PAFDDKBGRKXGBE-UHFFFAOYSA-N	-1	0	274.341	3.490	20	30		CGEDRM
N#CCc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001222398583	816432793	/nfs/dbraw/zinc/43/27/93/816432793.db2.gz	NSGJYGYORBNZFB-UHFFFAOYSA-N	-1	0	273.238	3.396	20	30		CGEDRM
CCCCCCC[C@@H](CC)OCCS(=O)(=O)[O-]	ZINC001224571298	816828978	/nfs/dbraw/zinc/82/89/78/816828978.db2.gz	IKJODWHQHIBAAO-GFCCVEGCSA-N	-1	0	266.403	3.030	20	30		CGEDRM
C=CCC(CC=C)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224900934	816906881	/nfs/dbraw/zinc/90/68/81/816906881.db2.gz	UMYTUWJZXYRCAQ-UHFFFAOYSA-N	-1	0	296.388	3.013	20	30		CGEDRM
N#CC[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001225489939	817072307	/nfs/dbraw/zinc/07/23/07/817072307.db2.gz	DNTJWNRBACGWQZ-AWEZNQCLSA-N	-1	0	284.271	3.334	20	30		CGEDRM
CC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)(C)C	ZINC001226008381	817246919	/nfs/dbraw/zinc/24/69/19/817246919.db2.gz	GYIUQTHNMRHUTB-JTQLQIEISA-N	-1	0	252.289	3.001	20	30		CGEDRM
CC(C)C[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226064714	817262212	/nfs/dbraw/zinc/26/22/12/817262212.db2.gz	PBDIIJFIZACOPN-MRVPVSSYSA-N	-1	0	288.269	3.491	20	30		CGEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226067023	817263279	/nfs/dbraw/zinc/26/32/79/817263279.db2.gz	DKBPEQYUUSXBNJ-QMMMGPOBSA-N	-1	0	286.253	3.411	20	30		CGEDRM
CC[C@H](C)[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226069134	817263907	/nfs/dbraw/zinc/26/39/07/817263907.db2.gz	ZHULWQHVNJXWRU-YUMQZZPRSA-N	-1	0	288.269	3.491	20	30		CGEDRM
C#C[C@H]1CCC[C@@H]1Oc1cc(=O)[nH]c(-c2ccccc2)n1	ZINC001226184196	817292808	/nfs/dbraw/zinc/29/28/08/817292808.db2.gz	BZHHYAITRIXDMN-JSGCOSHPSA-N	-1	0	280.327	3.030	20	30		CGEDRM
Cc1cccc2c1[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)CC2	ZINC001226221019	817301559	/nfs/dbraw/zinc/30/15/59/817301559.db2.gz	GIDVDEBUYUHBDX-AWEZNQCLSA-N	-1	0	280.327	3.342	20	30		CGEDRM
C=CC[C@H](Oc1nc(C)[n-]c(=O)c1F)c1ccccc1	ZINC001226425518	817354180	/nfs/dbraw/zinc/35/41/80/817354180.db2.gz	YDWKPOAWGJNNTA-LBPRGKRZSA-N	-1	0	274.295	3.326	20	30		CGEDRM
C=C(C)C[C@H](Oc1[nH]c(=O)ncc1Br)C(=C)C	ZINC001227137585	817568848	/nfs/dbraw/zinc/56/88/48/817568848.db2.gz	KORPRQISTVVVOD-JTQLQIEISA-N	-1	0	299.168	3.234	20	30		CGEDRM
COC(=O)c1ccc(-c2ccc(C)c(C(=O)[O-])c2)cc1C#N	ZINC001243196061	823285313	/nfs/dbraw/zinc/28/53/13/823285313.db2.gz	YDCTVTMAZQBXRC-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
C=C[C@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227612282	817682165	/nfs/dbraw/zinc/68/21/65/817682165.db2.gz	WQUXHJORZCGSOE-JTQLQIEISA-N	-1	0	285.328	3.098	20	30		CGEDRM
C[C@@H](CS)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228186644	817833877	/nfs/dbraw/zinc/83/38/77/817833877.db2.gz	SQSRBWPKQHBUSP-NSHDSACASA-N	-1	0	288.368	3.320	20	30		CGEDRM
N#CCCN(Cc1ccc(C(=O)[O-])s1)C1CCCC1	ZINC001231463830	818103304	/nfs/dbraw/zinc/10/33/04/818103304.db2.gz	QHZYJBRKLJYHTP-UHFFFAOYSA-N	-1	0	278.377	3.105	20	30		CGEDRM
N#CC1CN(Cc2ccccc2-c2ccccc2C(=O)[O-])C1	ZINC001231678054	818156397	/nfs/dbraw/zinc/15/63/97/818156397.db2.gz	TUFNQLSMRHWEBE-UHFFFAOYSA-N	-1	0	292.338	3.007	20	30		CGEDRM
Cc1cc(=O)[n-]c(OC2C[C@H](C)C[C@@H](C)C2)c1C#N	ZINC001233915720	818730129	/nfs/dbraw/zinc/73/01/29/818730129.db2.gz	ZPUPJAFUOMHGEK-NXEZZACHSA-N	-1	0	260.337	3.171	20	30		CGEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@H](C)CC[C@H]2C)c1C#N	ZINC001233915556	818730679	/nfs/dbraw/zinc/73/06/79/818730679.db2.gz	MNHFSNPFQYSUCT-GIPNMCIBSA-N	-1	0	260.337	3.171	20	30		CGEDRM
CCCCCCC[C@@H](CC)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233940495	818736509	/nfs/dbraw/zinc/73/65/09/818736509.db2.gz	XFWIEWDFZIXUBC-LLVKDONJSA-N	-1	0	292.383	3.164	20	30		CGEDRM
Cc1cc(C#N)cc(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235168617	819021507	/nfs/dbraw/zinc/02/15/07/819021507.db2.gz	GDHDFOKOPHLWNE-QPJJXVBHSA-N	-1	0	264.284	3.027	20	30		CGEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2)ncc1C(F)(F)F	ZINC001236055296	819290279	/nfs/dbraw/zinc/29/02/79/819290279.db2.gz	HCSMUQKVPHRBKH-UHFFFAOYSA-N	-1	0	292.216	3.337	20	30		CGEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])cc2)cc(F)c1F	ZINC001236063142	819295868	/nfs/dbraw/zinc/29/58/68/819295868.db2.gz	BUOJXSBPRLJSMY-QGMBQPNBSA-N	-1	0	291.253	3.310	20	30		CGEDRM
Cc1c(Cl)c(-c2nccc(F)c2C#N)ccc1C(=O)[O-]	ZINC001236112790	819326059	/nfs/dbraw/zinc/32/60/59/819326059.db2.gz	GCTOCQLHBOOEFI-UHFFFAOYSA-N	-1	0	290.681	3.419	20	30		CGEDRM
COc1cc(F)c(-c2ccc(/C=N/[O-])c(F)c2)cc1OC	ZINC001236317021	819422121	/nfs/dbraw/zinc/42/21/21/819422121.db2.gz	LCDZXNLGGXWSAM-QGMBQPNBSA-N	-1	0	293.269	3.457	20	30		CGEDRM
Cc1cc(C#N)c(-c2cc(F)cc(F)c2[O-])nc1C	ZINC001243499707	823421174	/nfs/dbraw/zinc/42/11/74/823421174.db2.gz	CPXVJJPSMDKPMX-UHFFFAOYSA-N	-1	0	260.243	3.221	20	30		CGEDRM
C#C[C@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238149259	819942338	/nfs/dbraw/zinc/94/23/38/819942338.db2.gz	IRLOHWDSBUMYLY-JTQLQIEISA-N	-1	0	267.731	3.030	20	30		CGEDRM
CCCN(CCC#N)Cc1cc(Cl)c([O-])cc1F	ZINC001238151910	819942813	/nfs/dbraw/zinc/94/28/13/819942813.db2.gz	JASYDJMXNJAXHI-UHFFFAOYSA-N	-1	0	270.735	3.310	20	30		CGEDRM
N#C[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F	ZINC001238147751	819942969	/nfs/dbraw/zinc/94/29/69/819942969.db2.gz	AXJVEXMRIFSXBJ-SNVBAGLBSA-N	-1	0	268.719	3.063	20	30		CGEDRM
[O-]c1cc(F)c(CN2CCC(S)CC2)cc1Cl	ZINC001238148868	819942988	/nfs/dbraw/zinc/94/29/88/819942988.db2.gz	CXAXYTVRVUYJIX-UHFFFAOYSA-N	-1	0	275.776	3.079	20	30		CGEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1CC#N	ZINC001239255500	820241620	/nfs/dbraw/zinc/24/16/20/820241620.db2.gz	AQBCBLZGQFVJLB-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1ccc2ncnc(-c3cc(F)ccc3[O-])c2c1	ZINC001240693296	821249012	/nfs/dbraw/zinc/24/90/12/821249012.db2.gz	LNMMWRKJKDCJTG-UHFFFAOYSA-N	-1	0	265.247	3.013	20	30		CGEDRM
COc1cc(-c2ccc(CC#N)c(F)c2)ccc1C(=O)[O-]	ZINC001240742420	821293522	/nfs/dbraw/zinc/29/35/22/821293522.db2.gz	COZPIVSLOITCIT-UHFFFAOYSA-N	-1	0	285.274	3.266	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccc([O-])c(F)c1	ZINC001240781607	821320671	/nfs/dbraw/zinc/32/06/71/821320671.db2.gz	BRNLHSNFFREOIJ-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#CCc1ccc(F)c(-c2ccc(C(=O)[O-])s2)c1	ZINC001240847889	821368603	/nfs/dbraw/zinc/36/86/03/821368603.db2.gz	QRTJBUXYIYKVTJ-UHFFFAOYSA-N	-1	0	261.277	3.318	20	30		CGEDRM
N#Cc1cnc(-c2ccc(CC(=O)[O-])cc2)c2sccc21	ZINC001240973901	821458590	/nfs/dbraw/zinc/45/85/90/821458590.db2.gz	DOQFSANDSIRHEP-UHFFFAOYSA-N	-1	0	294.335	3.462	20	30		CGEDRM
COC(=O)c1ccc(C#N)cc1-c1cc(C(=O)[O-])ccc1C	ZINC001241003596	821482409	/nfs/dbraw/zinc/48/24/09/821482409.db2.gz	VIBAGAOCQNPRRZ-UHFFFAOYSA-N	-1	0	295.294	3.019	20	30		CGEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC001241185173	821622537	/nfs/dbraw/zinc/62/25/37/821622537.db2.gz	NYNYBWZFZSANQS-UHFFFAOYSA-N	-1	0	280.258	3.129	20	30		CGEDRM
N#CCOc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)nc1	ZINC001241348424	821751721	/nfs/dbraw/zinc/75/17/21/821751721.db2.gz	SGWDACBOYMBTFK-UHFFFAOYSA-N	-1	0	288.690	3.003	20	30		CGEDRM
CCOC(=O)c1cc(-c2cccc(C(=O)[O-])c2)ccc1C#N	ZINC001241360542	821762045	/nfs/dbraw/zinc/76/20/45/821762045.db2.gz	LRVROFLNHHBZMA-UHFFFAOYSA-N	-1	0	295.294	3.100	20	30		CGEDRM
N#CCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1	ZINC001241827161	822166356	/nfs/dbraw/zinc/16/63/56/822166356.db2.gz	AJLPIRAQENLUQK-UHFFFAOYSA-N	-1	0	255.248	3.257	20	30		CGEDRM
COc1ccc(-c2ccc(OCCC#N)cc2)cc1C(=O)[O-]	ZINC001241874605	822190395	/nfs/dbraw/zinc/19/03/95/822190395.db2.gz	HXCVNJDOVWEMND-UHFFFAOYSA-N	-1	0	297.310	3.353	20	30		CGEDRM
COc1ccc(-c2cc(C#N)cc3[nH]ccc32)cc1C(=O)[O-]	ZINC001241880021	822191066	/nfs/dbraw/zinc/19/10/66/822191066.db2.gz	KFPPSTZHDNICDX-UHFFFAOYSA-N	-1	0	292.294	3.413	20	30		CGEDRM
N#Cc1cc(C(F)(F)F)cc(-c2cccc(F)c2[O-])n1	ZINC001242349595	822960719	/nfs/dbraw/zinc/96/07/19/822960719.db2.gz	OCUVULLUDXKKSL-UHFFFAOYSA-N	-1	0	282.196	3.484	20	30		CGEDRM
N#Cc1cnc2ccc(-c3cccc(Cl)c3[O-])cn12	ZINC001242368223	822970064	/nfs/dbraw/zinc/97/00/64/822970064.db2.gz	ZDOVDUVXUGBBBP-UHFFFAOYSA-N	-1	0	269.691	3.232	20	30		CGEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cc1C	ZINC001242391933	822979163	/nfs/dbraw/zinc/97/91/63/822979163.db2.gz	GBIKWQWLMDAJNL-UHFFFAOYSA-N	-1	0	281.311	3.435	20	30		CGEDRM