smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NN=Cc1ccc(O)cc1)c1cccc(Br)c1	ZINC000015636600	398396597	/nfs/dbraw/zinc/39/65/97/398396597.db2.gz	KJMBJRCTGBQGFT-UHFFFAOYSA-N	0	0	319.158	2.919	50	50		DFGARN
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	ZINC000000358092	263620488	/nfs/dbraw/zinc/62/04/88/263620488.db2.gz	FWEAJWYURUCLCU-UDWIEESQSA-N	0	0	320.352	2.671	50	50		DFGARN
CCCc1[nH]nc2c1[C@H](c1ccc(C)s1)C(C#N)=C(N)O2	ZINC000009271156	263978685	/nfs/dbraw/zinc/97/86/85/263978685.db2.gz	FDIVQFHYVIYOHC-LBPRGKRZSA-N	0	0	300.387	2.950	50	50		DFGARN
CCN(CC)c1nc2cc(C)ccc2cc1/C=C(/C#N)C(N)=O	ZINC000033405206	263979610	/nfs/dbraw/zinc/97/96/10/263979610.db2.gz	SYPLOYPHKMSNCI-GDNBJRDFSA-N	0	0	308.385	2.782	50	50		DFGARN
CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	ZINC000000034899	263986588	/nfs/dbraw/zinc/98/65/88/263986588.db2.gz	WIZKOHHUOYCSGJ-INIZCTEOSA-N	0	0	310.353	2.900	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	ZINC000005720708	263999353	/nfs/dbraw/zinc/99/93/53/263999353.db2.gz	NDLRNGGDVAUDEG-YBEGLDIGSA-N	0	0	322.364	2.927	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(N)=O)cc1OCc1ccccc1	ZINC000017186394	264000788	/nfs/dbraw/zinc/00/07/88/264000788.db2.gz	MLQHNEIFQHAULW-DHDCSXOGSA-N	0	0	308.337	2.666	50	50		DFGARN
COc1ccc(Br)cc1/C=C(\C#N)C(=O)NC1CC1	ZINC000002769145	264002111	/nfs/dbraw/zinc/00/21/11/264002111.db2.gz	UYMAPNZQQAHOGS-UXBLZVDNSA-N	0	0	321.174	2.643	50	50		DFGARN
Cc1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	ZINC000004354286	264013906	/nfs/dbraw/zinc/01/39/06/264013906.db2.gz	KIXZAVUQFPJPGA-GFCCVEGCSA-N	0	0	320.274	2.955	50	50		DFGARN
N#C/C(=C\c1ccsc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000017032446	264019506	/nfs/dbraw/zinc/01/95/06/264019506.db2.gz	KVRRSNLGYSIQBJ-WLRTZDKTSA-N	0	0	312.350	2.700	50	50		DFGARN
N#CC1=C(N)Oc2c(ccc3cccnc32)[C@@H]1c1ccncc1	ZINC000000492440	264021569	/nfs/dbraw/zinc/02/15/69/264021569.db2.gz	YNEIROJBBRXLDJ-HNNXBMFYSA-N	0	0	300.321	2.848	50	50		DFGARN
N#CC1=C2CCCC[C@@H]2[C@@H](c2cccnc2)C(C#N)(C#N)C1=N	ZINC000019806035	264021684	/nfs/dbraw/zinc/02/16/84/264021684.db2.gz	SKHUSYJUUFUCRA-GOEBONIOSA-N	0	0	301.353	2.675	50	50		DFGARN
N#Cc1c2c(sc1NC(=O)c1ccn(CCl)n1)CCC2	ZINC000002786261	264023659	/nfs/dbraw/zinc/02/36/59/264023659.db2.gz	AXNLQLAGDVGEPM-UHFFFAOYSA-N	0	0	306.778	2.754	50	50		DFGARN
N#Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c(F)c1	ZINC000004524064	264024481	/nfs/dbraw/zinc/02/44/81/264024481.db2.gz	FCMAVLMUYSQYGV-UFFVCSGVSA-N	0	0	306.300	2.943	50	50		DFGARN
Cc1ccccc1OCC(=O)NN=Cc1ccc(N(C)C)cc1	ZINC000013113549	425748166	/nfs/dbraw/zinc/74/81/66/425748166.db2.gz	NBOZOVOAXHMYCH-UHFFFAOYSA-N	0	0	311.385	2.590	50	50		DFGARN
O=C(Cc1ccccc1)NN=Cc1cc2c(cc1Cl)OCO2	ZINC000013113749	425749004	/nfs/dbraw/zinc/74/90/04/425749004.db2.gz	CJYFYOUPBJEKOR-UHFFFAOYSA-N	0	0	316.744	2.762	50	50		DFGARN
CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccccn1	ZINC000254869190	427223877	/nfs/dbraw/zinc/22/38/77/427223877.db2.gz	BPENIZQNTAOWRP-UHFFFAOYSA-N	0	0	303.749	2.654	50	50		DFGARN
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=Cc1ccccc1	ZINC000005633407	398352576	/nfs/dbraw/zinc/35/25/76/398352576.db2.gz	RFMZNTRPHGLEQN-QGZVFWFLSA-N	0	0	323.396	2.591	50	50		DFGARN
COC(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1	ZINC000005848131	398352682	/nfs/dbraw/zinc/35/26/82/398352682.db2.gz	VGCZCHAKZJWSSO-UHFFFAOYSA-N	0	0	314.341	2.964	50	50		DFGARN
C=CCSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	ZINC000009110036	263970663	/nfs/dbraw/zinc/97/06/63/263970663.db2.gz	BNYLZLPJHWEEES-LBPRGKRZSA-N	0	0	315.354	2.853	50	50		DFGARN
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1O	ZINC000016438249	263985434	/nfs/dbraw/zinc/98/54/34/263985434.db2.gz	UTYJCPPFUNJEEZ-KPKJPENVSA-N	0	0	320.776	2.974	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1OC	ZINC000067190139	264000736	/nfs/dbraw/zinc/00/07/36/264000736.db2.gz	HRRYDKQJSLMULW-UKTHLTGXSA-N	0	0	309.325	2.644	50	50		DFGARN
COc1ccc(F)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	ZINC000000535612	264002376	/nfs/dbraw/zinc/00/23/76/264002376.db2.gz	PLOKZXYZRZRVLP-OAHLLOKOSA-N	0	0	314.316	2.649	50	50		DFGARN
Cc1ccc([C@H]2c3c(cc(C)n(C)c3=O)OC(N)=C2C#N)cc1C	ZINC000020086824	264011316	/nfs/dbraw/zinc/01/13/16/264011316.db2.gz	DJPXXPFBYHWCAC-MRXNPFEDSA-N	0	0	321.380	2.529	50	50		DFGARN
N#C/C(=C/c1cn2cc(Cl)ccc2n1)C(=O)NC1CCCC1	ZINC000064360344	264016894	/nfs/dbraw/zinc/01/68/94/264016894.db2.gz	BLDYVFUYHGAVEE-XFFZJAGNSA-N	0	0	314.776	2.953	50	50		DFGARN
N#CC(=Cc1c[nH]c2ncccc12)C(=O)Nc1cccc(O)c1	ZINC000061717533	264017178	/nfs/dbraw/zinc/01/71/78/264017178.db2.gz	CQAWDQTXGONUGU-YRNVUSSQSA-N	0	0	304.309	2.814	50	50		DFGARN
N#CC1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccoc1	ZINC000000062509	264022394	/nfs/dbraw/zinc/02/23/94/264022394.db2.gz	PLQVJRYIQCTCKW-ZDUSSCGKSA-N	0	0	306.277	2.604	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccco1	ZINC000004457943	264022881	/nfs/dbraw/zinc/02/28/81/264022881.db2.gz	BSOFDWMEXIKMGG-CYBMUJFWSA-N	0	0	304.309	2.888	50	50		DFGARN
COc1ccc(NC=C(C#N)C(=O)NCc2ccccc2)cc1	ZINC000101192749	264901492	/nfs/dbraw/zinc/90/14/92/264901492.db2.gz	WMCIFTLDNLLWFU-FYWRMAATSA-N	0	0	307.353	2.831	50	50		DFGARN
CC1CCN(/C(N)=C(\C#N)c2ccc(C(F)(F)F)cn2)CC1	ZINC000221914884	265986709	/nfs/dbraw/zinc/98/67/09/265986709.db2.gz	UORCPDDAYURCEH-WYMLVPIESA-N	0	0	310.323	2.983	50	50		DFGARN
O=C(NN=C1CCCc2ccccc21)[C@@H]1COc2ccccc2O1	ZINC000254441556	427220427	/nfs/dbraw/zinc/22/04/27/427220427.db2.gz	IXORGLFHOVZXMD-SFHVURJKSA-N	0	0	322.364	2.683	50	50		DFGARN
Cc1ccc(C=NNC(=O)CSc2nc(C)cc(C)n2)cc1	ZINC000012465059	398386806	/nfs/dbraw/zinc/38/68/06/398386806.db2.gz	QGIHCFFPYPHCTL-UHFFFAOYSA-N	0	0	314.414	2.644	50	50		DFGARN
COc1cccc([C@@H]2c3cc4c(cc3OC(N)=C2C#N)OCO4)c1	ZINC000078547616	269795186	/nfs/dbraw/zinc/79/51/86/269795186.db2.gz	HLTIWUUAMXMQRC-QGZVFWFLSA-N	0	0	322.320	2.642	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	ZINC000000196812	263617625	/nfs/dbraw/zinc/61/76/25/263617625.db2.gz	NXJIUFBSYJBPKQ-CYBMUJFWSA-N	0	0	314.728	2.820	50	50		DFGARN
COc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1	ZINC000000149283	263617627	/nfs/dbraw/zinc/61/76/27/263617627.db2.gz	XBNWYYXIVYEHBG-UHFFFAOYSA-N	0	0	304.305	2.964	50	50		DFGARN
N#CC1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccccc1	ZINC000000182723	263617786	/nfs/dbraw/zinc/61/77/86/263617786.db2.gz	BWTLZAABJOJVHS-OAHLLOKOSA-N	0	0	315.332	2.746	50	50		DFGARN
N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC[C@H]1CCCO1	ZINC000000289078	263620455	/nfs/dbraw/zinc/62/04/55/263620455.db2.gz	YJYFVEDGIBIXDE-PFEDMVJOSA-N	0	0	308.740	2.681	50	50		DFGARN
C=CCn1c2ccccc2nc1SCC(=O)C(C#N)=C(C)N	ZINC000005618896	263970684	/nfs/dbraw/zinc/97/06/84/263970684.db2.gz	GLGBUVWNRKFEAO-VAWYXSNFSA-N	0	0	312.398	2.640	50	50		DFGARN
COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	ZINC000008053552	263992952	/nfs/dbraw/zinc/99/29/52/263992952.db2.gz	RPOJAYRAXLTRDU-VGOFMYFVSA-N	0	0	324.336	2.903	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC	ZINC000033328215	264000441	/nfs/dbraw/zinc/00/04/41/264000441.db2.gz	DKVWZXFHKZRLEC-JYRVWZFOSA-N	0	0	312.325	2.520	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC	ZINC000000564214	264000998	/nfs/dbraw/zinc/00/09/98/264000998.db2.gz	DKVWZXFHKZRLEC-MDWZMJQESA-N	0	0	312.325	2.520	50	50		DFGARN
COc1ccc(O)c(/C=C(/C#N)C(=O)NCc2ccccc2)c1	ZINC000033418143	264001696	/nfs/dbraw/zinc/00/16/96/264001696.db2.gz	KTTIQZOHXDWCCA-DHDCSXOGSA-N	0	0	308.337	2.624	50	50		DFGARN
COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2cccc(O)c2)c1	ZINC000000550120	264002188	/nfs/dbraw/zinc/00/21/88/264002188.db2.gz	FGWNDDFRILGQSA-KPKJPENVSA-N	0	0	310.309	2.652	50	50		DFGARN
COc1ccc([C@@H]2c3ccc(O)cc3OC(N)=C2C#N)c(OC)c1	ZINC000007516646	264003330	/nfs/dbraw/zinc/00/33/30/264003330.db2.gz	RWAJQJYNIMSHRX-QGZVFWFLSA-N	0	0	324.336	2.628	50	50		DFGARN
Cc1c(Br)cnn1[C@H](C)C(=O)NC1=C(C#N)CCC1	ZINC000006527579	264006960	/nfs/dbraw/zinc/00/69/60/264006960.db2.gz	BAFZLAJFKQYHQI-SECBINFHSA-N	0	0	323.194	2.593	50	50		DFGARN
Cc1[nH]nc2c1[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	ZINC000004354280	264012439	/nfs/dbraw/zinc/01/24/39/264012439.db2.gz	KIXZAVUQFPJPGA-LBPRGKRZSA-N	0	0	320.274	2.955	50	50		DFGARN
Cc1nn(C)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	ZINC000004674927	264013511	/nfs/dbraw/zinc/01/35/11/264013511.db2.gz	PONDYEHTQXHJTC-GFCCVEGCSA-N	0	0	318.739	2.739	50	50		DFGARN
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCc1ccco1	ZINC000006283422	264016838	/nfs/dbraw/zinc/01/68/38/264016838.db2.gz	ODDBKIMVLPVUIJ-OQLLNIDSSA-N	0	0	306.321	2.822	50	50		DFGARN
N#CC(C(=O)CN1CCCC1)=C1NC(c2ccccc2)=CS1	ZINC000025514456	264019647	/nfs/dbraw/zinc/01/96/47/264019647.db2.gz	RJPDSGKVYSTUER-VKAVYKQESA-N	0	0	311.410	2.721	50	50		DFGARN
N#CC(=C1Nc2ccccc2N1)c1nc(C#N)c(C#N)nc1Cl	ZINC000000055900	264019964	/nfs/dbraw/zinc/01/99/64/264019964.db2.gz	KXUJXXIMUZZLKM-UHFFFAOYSA-N	0	0	319.715	2.603	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@H]2CSCC=C12	ZINC000002185027	264020534	/nfs/dbraw/zinc/02/05/34/264020534.db2.gz	CCKWFVSTTBMJRJ-GXTWGEPZSA-N	0	0	324.434	2.905	50	50		DFGARN
N#CC(/C=C1\Nc2ccccc2C1=O)=C(/N)NC1CCCCC1	ZINC000057290937	264020630	/nfs/dbraw/zinc/02/06/30/264020630.db2.gz	MCLAXLNSJMYDDV-KXDNKEIFSA-N	0	0	308.385	2.795	50	50		DFGARN
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2[nH]1	ZINC000000506321	264021223	/nfs/dbraw/zinc/02/12/23/264021223.db2.gz	KQNDKZFCHYAOJX-MRXNPFEDSA-N	0	0	305.337	2.983	50	50		DFGARN
N#CC1=C(N)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1	ZINC000009244686	264021280	/nfs/dbraw/zinc/02/12/80/264021280.db2.gz	DFYFZIWGYVYMMC-OAHLLOKOSA-N	0	0	305.316	2.884	50	50	aggregator	DFGARN
N#CC1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccsc1	ZINC000000033445	264022649	/nfs/dbraw/zinc/02/26/49/264022649.db2.gz	MTPLAKVYWSDDMG-CYBMUJFWSA-N	0	0	321.361	2.808	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1cccnc1	ZINC000004718513	264022668	/nfs/dbraw/zinc/02/26/68/264022668.db2.gz	BFLMIRAYBVAULU-CQSZACIVSA-N	0	0	315.336	2.690	50	50		DFGARN
CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccncc1	ZINC000263631640	427526874	/nfs/dbraw/zinc/52/68/74/427526874.db2.gz	FUWGVHZDVVOZMI-UHFFFAOYSA-N	0	0	303.749	2.654	50	50		DFGARN
O=C(NN=Cc1cccc(Br)c1)c1ccccc1O	ZINC000263625723	427527445	/nfs/dbraw/zinc/52/74/45/427527445.db2.gz	GQOWDRYCVQDOKL-UHFFFAOYSA-N	0	0	319.158	2.919	50	50		DFGARN
C[C@H]1CCCCC1=NNC(=O)Cn1ccc(C(F)(F)F)n1	ZINC000006942740	398357033	/nfs/dbraw/zinc/35/70/33/398357033.db2.gz	IHNKRMACYOFFHF-VIFPVBQESA-N	0	0	302.300	2.584	50	50		DFGARN
C[C@]12CCCC[C@H]1[C@@H]2C(=O)NN=Cc1ccc([N+](=O)[O-])cc1	ZINC000016606268	398402482	/nfs/dbraw/zinc/40/24/82/398402482.db2.gz	KPAJWYDGZZITBI-LZWOXQAQSA-N	0	0	301.346	2.871	50	50		DFGARN
CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2[C@@H](CCl)[C@@H]21	ZINC000048546813	398786101	/nfs/dbraw/zinc/78/61/01/398786101.db2.gz	MLTYBNOOCIGFAS-ZWFSKFMGSA-N	0	0	310.777	2.573	50	50		DFGARN
Cn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21	ZINC000000378512	263620356	/nfs/dbraw/zinc/62/03/56/263620356.db2.gz	AMLVKYONAMEFQP-UFFVCSGVSA-N	0	0	320.327	2.953	50	50		DFGARN
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)s1	ZINC000000043740	263983357	/nfs/dbraw/zinc/98/33/57/263983357.db2.gz	VEZVROUIORUOSL-CYBMUJFWSA-N	0	0	304.371	2.701	50	50		DFGARN
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	ZINC000000050127	263993102	/nfs/dbraw/zinc/99/31/02/263993102.db2.gz	IKPRFAJSDYYCRQ-ZDUSSCGKSA-N	0	0	304.733	2.595	50	50		DFGARN
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)cc1	ZINC000005023753	264002340	/nfs/dbraw/zinc/00/23/40/264002340.db2.gz	TZZLZNRHOVAVGN-LCYFTJDESA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)OC(N)=C1C#N	ZINC000003998300	264004417	/nfs/dbraw/zinc/00/44/17/264004417.db2.gz	PKDGUQTVEJBFLT-ZDUSSCGKSA-N	0	0	324.384	2.934	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@@H](c1c[nH]c3ccccc31)C(C#N)=C(N)O2	ZINC000001432877	264008066	/nfs/dbraw/zinc/00/80/66/264008066.db2.gz	VACWGCCXATVQAJ-OAHLLOKOSA-N	0	0	319.320	2.648	50	50		DFGARN
Cc1ccc([C@@H]2c3c(c4ccccc4oc3=O)OC(N)=C2C#N)o1	ZINC000000061416	264011070	/nfs/dbraw/zinc/01/10/70/264011070.db2.gz	VECGPYYDRAAGSV-CQSZACIVSA-N	0	0	320.304	2.913	50	50	biogenic,in-vitro	DFGARN
Cc1ccccc1OCCOc1ccccc1/C=C(/C#N)C(N)=O	ZINC000004599719	264012314	/nfs/dbraw/zinc/01/23/14/264012314.db2.gz	XPBPUTKANQSZBM-VBKFSLOCSA-N	0	0	322.364	2.845	50	50		DFGARN
Cc1nn(C)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	ZINC000004674924	264013436	/nfs/dbraw/zinc/01/34/36/264013436.db2.gz	PONDYEHTQXHJTC-LBPRGKRZSA-N	0	0	318.739	2.739	50	50		DFGARN
Cc1[nH]nc2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	ZINC000032576821	264014054	/nfs/dbraw/zinc/01/40/54/264014054.db2.gz	BXEODNANPYHAHP-GFCCVEGCSA-N	0	0	320.274	2.955	50	50		DFGARN
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCCO1	ZINC000000037470	264017967	/nfs/dbraw/zinc/01/79/67/264017967.db2.gz	RMFHJEFYUHZBKF-WEKMIXOTSA-N	0	0	324.302	2.908	50	50		DFGARN
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1	ZINC000000047044	264018283	/nfs/dbraw/zinc/01/82/83/264018283.db2.gz	GBMZRAHROINDEX-XNTDXEJSSA-N	0	0	307.309	2.818	50	50		DFGARN
N#C/C(=C\c1ccc(COc2ccc3c(c2)CCC3)o1)C(N)=O	ZINC000002774863	264018386	/nfs/dbraw/zinc/01/83/86/264018386.db2.gz	UVPHAXPAMAPBOY-NTEUORMPSA-N	0	0	308.337	2.740	50	50		DFGARN
N#C/C(=C\c1ccco1)c1nn(-c2ccccc2)c(N)c1C#N	ZINC000004974018	264019581	/nfs/dbraw/zinc/01/95/81/264019581.db2.gz	MWJNFAUYPLYQFJ-FMIVXFBMSA-N	0	0	301.309	2.983	50	50		DFGARN
N#CC(C#N)=Cc1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1	ZINC000002766497	264020215	/nfs/dbraw/zinc/02/02/15/264020215.db2.gz	FFCUTJDPJAYZSQ-UHFFFAOYSA-N	0	0	303.665	2.517	50	50		DFGARN
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1F	ZINC000000063000	264021631	/nfs/dbraw/zinc/02/16/31/264021631.db2.gz	FRKAVBOKWQACSY-CQSZACIVSA-N	0	0	302.280	2.780	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1c1cccnc1	ZINC000013118282	264021651	/nfs/dbraw/zinc/02/16/51/264021651.db2.gz	AHECCLJHDMPPDZ-GFCCVEGCSA-N	0	0	321.365	2.751	50	50		DFGARN
N#CC1=C2CCCC[C@@H]2[C@@H](c2ccncc2)C(C#N)(C#N)C1=N	ZINC000019818651	264021658	/nfs/dbraw/zinc/02/16/58/264021658.db2.gz	LYNQWMKXNJUABN-GOEBONIOSA-N	0	0	301.353	2.675	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@H]1c1cccc(O)c1	ZINC000020086153	264022122	/nfs/dbraw/zinc/02/21/22/264022122.db2.gz	DIWZIDHFAAKVMM-HNNXBMFYSA-N	0	0	303.325	2.560	50	50		DFGARN
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000012428888	264022848	/nfs/dbraw/zinc/02/28/48/264022848.db2.gz	UEOKKNWUTCMBLK-OAHLLOKOSA-N	0	0	309.281	2.519	50	50	biogenic,in-vitro	DFGARN
O=C(Cc1ccc(F)cc1)NN=Cc1cc(O)c(O)c(Cl)c1	ZINC000254705198	427223418	/nfs/dbraw/zinc/22/34/18/427223418.db2.gz	AUZOLPNXJYSOFA-UHFFFAOYSA-N	0	0	322.723	2.583	50	50		DFGARN
Cc1cc(C(=O)NN=Cc2c(Cl)nc3ccccn32)c(C)o1	ZINC000254844119	427225572	/nfs/dbraw/zinc/22/55/72/427225572.db2.gz	AAFSLRZLSPGXQG-UHFFFAOYSA-N	0	0	316.748	2.961	50	50		DFGARN
O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O	ZINC000000096084	560177303	/nfs/dbraw/zinc/17/73/03/560177303.db2.gz	SYNDQCRDGGCQRZ-VXLYETTFSA-N	0	0	322.320	2.721	50	50	in-vitro	DFGARN
CC(=O)c1ccc(OCC(=O)NNc2ccc(F)cc2)cc1	ZINC000045970256	542438873	/nfs/dbraw/zinc/43/88/73/542438873.db2.gz	UECXMKIEFQOXHP-UHFFFAOYSA-N	0	0	302.305	2.550	50	50		DFGARN
O=C(NN=Cc1ccccc1)c1cc(Br)ccc1O	ZINC000252498228	542947073	/nfs/dbraw/zinc/94/70/73/542947073.db2.gz	SZAPZSKBPFXKBK-UHFFFAOYSA-N	0	0	319.158	2.919	50	50		DFGARN
Cc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1	ZINC000000109191	263616841	/nfs/dbraw/zinc/61/68/41/263616841.db2.gz	AKRQIWKWRYWNOB-KRWDZBQOSA-N	0	0	322.412	2.572	50	50		DFGARN
CCCC1=C(C(=O)OCC)[C@@H](c2cccnc2)C(C#N)=C(N)O1	ZINC000000183720	263617928	/nfs/dbraw/zinc/61/79/28/263617928.db2.gz	UGFCVHYLLKFAGX-AWEZNQCLSA-N	0	0	313.357	2.507	50	50		DFGARN
N#C/C(=C\N1CCc2ccccc21)S(=O)(=O)Cc1ccco1	ZINC000000149512	263618286	/nfs/dbraw/zinc/61/82/86/263618286.db2.gz	WLHWKGROMHYLMR-RVDMUPIBSA-N	0	0	314.366	2.622	50	50		DFGARN
CCc1[nH]nc2c1[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2	ZINC000000350457	263620056	/nfs/dbraw/zinc/62/00/56/263620056.db2.gz	DYTOSEITYGKMPG-ZDUSSCGKSA-N	0	0	312.398	2.912	50	50		DFGARN
C=CCNC(=O)/C(C#N)=C\c1cc(Br)ccc1OC	ZINC000033417929	263969520	/nfs/dbraw/zinc/96/95/20/263969520.db2.gz	VHYZBCDJXQSZHD-XFFZJAGNSA-N	0	0	321.174	2.667	50	50		DFGARN
CCCc1[nH]nc2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2	ZINC000006664674	263977874	/nfs/dbraw/zinc/97/78/74/263977874.db2.gz	RMBNKEAPXOWSDH-HNNXBMFYSA-N	0	0	323.400	2.646	50	50		DFGARN
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccn2)cc1	ZINC000005523707	263982039	/nfs/dbraw/zinc/98/20/39/263982039.db2.gz	CJFVRMRZRAQRDG-SDNWHVSQSA-N	0	0	322.320	2.771	50	50		DFGARN
COC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccccc1	ZINC000008974852	263994156	/nfs/dbraw/zinc/99/41/56/263994156.db2.gz	FCIMEQGPXGOJFB-OUKQBFOZSA-N	0	0	321.336	2.931	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC	ZINC000015219837	264000281	/nfs/dbraw/zinc/00/02/81/264000281.db2.gz	NBOOMGHBBOQKCS-LCYFTJDESA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)c(OC)c1	ZINC000067190136	264000816	/nfs/dbraw/zinc/00/08/16/264000816.db2.gz	QCWJJKLMAHPQJC-UKTHLTGXSA-N	0	0	309.325	2.644	50	50		DFGARN
COc1ccc([C@@H]2c3cc4c(cc3OC(N)=C2C#N)OCO4)cc1	ZINC000000468278	264003294	/nfs/dbraw/zinc/00/32/94/264003294.db2.gz	MJYVIAGIXQQKFR-QGZVFWFLSA-N	0	0	322.320	2.642	50	50		DFGARN
CSc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	ZINC000016437435	264004833	/nfs/dbraw/zinc/00/48/33/264004833.db2.gz	NVEVNJFBHPHIKI-KADHNRKRSA-N	0	0	302.399	2.611	50	50		DFGARN
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(N(C)C)cc1	ZINC000002485587	264005361	/nfs/dbraw/zinc/00/53/61/264005361.db2.gz	WTJPIQUWDJKRLU-PIGZYNQJSA-N	0	0	323.396	2.813	50	50		DFGARN
Cc1cc(C)n2nc(/C(C#N)=C/c3ccccn3)c(C#N)c2n1	ZINC000004052265	264008416	/nfs/dbraw/zinc/00/84/16/264008416.db2.gz	OERNWGOYNMZBQY-MDWZMJQESA-N	0	0	300.325	2.677	50	50		DFGARN
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21	ZINC000003299266	264017927	/nfs/dbraw/zinc/01/79/27/264017927.db2.gz	VTEFTUGOWIQOSD-OQLLNIDSSA-N	0	0	318.332	2.912	50	50		DFGARN
N#C/C(=C\c1ccccc1Br)C(=O)N1CCCC1	ZINC000003261452	264019590	/nfs/dbraw/zinc/01/95/90/264019590.db2.gz	SCIGQIGBCNVIBQ-FMIVXFBMSA-N	0	0	305.175	2.978	50	50		DFGARN
N#CC(C#N)=CN[C@H]1CCCc2c1cnn2Cc1ccccc1	ZINC000032080787	264020755	/nfs/dbraw/zinc/02/07/55/264020755.db2.gz	MDULICWZGAHXKT-KRWDZBQOSA-N	0	0	303.369	2.829	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccncc1	ZINC000009089151	264021620	/nfs/dbraw/zinc/02/16/20/264021620.db2.gz	OYKPAWSIQBRZMV-AWEZNQCLSA-N	0	0	315.336	2.690	50	50		DFGARN
N#CC1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccoc1	ZINC000000062510	264022138	/nfs/dbraw/zinc/02/21/38/264022138.db2.gz	PLQVJRYIQCTCKW-CYBMUJFWSA-N	0	0	306.277	2.604	50	50		DFGARN
N#CC1=C(N)Oc2cc([N+](=O)[O-])ccc2[C@H]1c1cccc(O)c1	ZINC000000483040	264022684	/nfs/dbraw/zinc/02/26/84/264022684.db2.gz	KSEGFJUAMDAVCA-OAHLLOKOSA-N	0	0	309.281	2.519	50	50		DFGARN
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)cc1	ZINC000004545303	264023319	/nfs/dbraw/zinc/02/33/19/264023319.db2.gz	MWZQCWKBQXAMDQ-CIAFOILYSA-N	0	0	316.320	2.977	50	50		DFGARN
O=C(NN=Cc1c[nH]c2ccc(Br)cc12)C1CC1	ZINC000254300712	427220063	/nfs/dbraw/zinc/22/00/63/427220063.db2.gz	KNBLJJODYPYIBK-UHFFFAOYSA-N	0	0	306.163	2.791	50	50		DFGARN
O=C(NN=C1CCCC(=O)C1)c1ccc(Br)cc1	ZINC000254459162	427220612	/nfs/dbraw/zinc/22/06/12/427220612.db2.gz	YVMUMAIAKSOLSV-UHFFFAOYSA-N	0	0	309.163	2.678	50	50		DFGARN
COc1cc(C=NNC(=O)c2cccnc2)cc(Cl)c1OC	ZINC000254772444	427224039	/nfs/dbraw/zinc/22/40/39/427224039.db2.gz	WEIIZQAVNCCPEC-UHFFFAOYSA-N	0	0	319.748	2.516	50	50		DFGARN
CCC(Cc1ccccc1)=NNC(=O)[C@@H]1COc2ccccc2O1	ZINC000254871947	427224684	/nfs/dbraw/zinc/22/46/84/427224684.db2.gz	IUPBNTJACDKLJT-SFHVURJKSA-N	0	0	324.380	2.951	50	50		DFGARN
CCSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1	ZINC000000181210	263617672	/nfs/dbraw/zinc/61/76/72/263617672.db2.gz	VRHRTIGJQZCFEL-NSHDSACASA-N	0	0	318.398	2.796	50	50		DFGARN
COc1ccccc1NC(C#N)=C1C(=O)c2ccccc2C1=O	ZINC000000148194	263618218	/nfs/dbraw/zinc/61/82/18/263618218.db2.gz	ZJALSVQLKYGTGN-UHFFFAOYSA-N	0	0	304.305	2.964	50	50		DFGARN
N#CC1=C(N)Oc2c(ccc3cccnc32)[C@H]1c1cccnc1	ZINC000000405499	263620009	/nfs/dbraw/zinc/62/00/09/263620009.db2.gz	YUEJXNGYCSYOST-OAHLLOKOSA-N	0	0	300.321	2.848	50	50		DFGARN
N#Cc1ccccc1OCC(=O)N/N=C/c1ccccc1Cl	ZINC000000289367	263620436	/nfs/dbraw/zinc/62/04/36/263620436.db2.gz	LVPDRVMMZPKDSX-VXLYETTFSA-N	0	0	313.744	2.741	50	50		DFGARN
C/C(=C(/C#N)Sc1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000003270929	263967663	/nfs/dbraw/zinc/96/76/63/263967663.db2.gz	HIAZKWOHTWMXFI-SDNWHVSQSA-N	0	0	305.359	2.774	50	50		DFGARN
CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3c4c(cc1c32)OCO4	ZINC000000541311	263975054	/nfs/dbraw/zinc/97/50/54/263975054.db2.gz	WIWIMPSGOBZXMP-UHFFFAOYSA-N	0	0	319.320	2.758	50	50		DFGARN
CCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	ZINC000023724004	263976794	/nfs/dbraw/zinc/97/67/94/263976794.db2.gz	DOIHDBFYHAQHKV-JMPLCFMRSA-N	0	0	314.385	2.678	50	50		DFGARN
COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)ccc1O	ZINC000003100934	263999549	/nfs/dbraw/zinc/99/95/49/263999549.db2.gz	CSLXBXLQRSQOFP-QGZVFWFLSA-N	0	0	310.353	2.892	50	50		DFGARN
COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1O	ZINC000005069673	264000661	/nfs/dbraw/zinc/00/06/61/264000661.db2.gz	HHWOOFSEIWGWEL-UKTHLTGXSA-N	0	0	310.357	2.783	50	50		DFGARN
COc1ccc(NC=C(C#N)S(=O)(=O)c2ccccc2)cc1	ZINC000044842211	264002355	/nfs/dbraw/zinc/00/23/55/264002355.db2.gz	DQIZDHKYFPVTTM-FOWTUZBSSA-N	0	0	314.366	2.946	50	50		DFGARN
COc1ccc([C@H]2c3c(C)[nH]nc3OC(N)=C2C#N)cc1Cl	ZINC000000469675	264002511	/nfs/dbraw/zinc/00/25/11/264002511.db2.gz	OQXBFSKLWDUCNM-CYBMUJFWSA-N	0	0	316.748	2.598	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	ZINC000000062982	264008554	/nfs/dbraw/zinc/00/85/54/264008554.db2.gz	LAGKVMPFAHFVAM-CYBMUJFWSA-N	0	0	314.728	2.820	50	50		DFGARN
Cc1cc(COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)no1	ZINC000006831887	264008610	/nfs/dbraw/zinc/00/86/10/264008610.db2.gz	BSJHHJDFJGYNIZ-NTEUORMPSA-N	0	0	311.341	2.699	50	50		DFGARN
Cc1cc(N(C)NC(=O)c2ccccc2)nc(Cl)c1C#N	ZINC000012446170	264008740	/nfs/dbraw/zinc/00/87/40/264008740.db2.gz	HPRFPJFHDBORFV-UHFFFAOYSA-N	0	0	300.749	2.696	50	50		DFGARN
Cc1ccc([C@H]2c3c(n[nH]c3-c3cccnc3)OC(N)=C2C#N)o1	ZINC000005818375	264010633	/nfs/dbraw/zinc/01/06/33/264010633.db2.gz	YWDVDAAVROUAAF-ZDUSSCGKSA-N	0	0	319.324	2.591	50	50		DFGARN
Cc1[nH]nc2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	ZINC000032576822	264012593	/nfs/dbraw/zinc/01/25/93/264012593.db2.gz	BXEODNANPYHAHP-LBPRGKRZSA-N	0	0	320.274	2.955	50	50		DFGARN
Cc1cccn2c(/C=C(\C#N)C(N)=O)c(-c3ccccc3)nc12	ZINC000016742544	264012759	/nfs/dbraw/zinc/01/27/59/264012759.db2.gz	APDMQFIYTWZFLV-GXDHUFHOSA-N	0	0	302.337	2.702	50	50		DFGARN
Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C(/C#N)C(N)=O	ZINC000033404953	264013532	/nfs/dbraw/zinc/01/35/32/264013532.db2.gz	XAVJVJFEANGKOY-TWGQIWQCSA-N	0	0	321.167	2.880	50	50		DFGARN
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCCO	ZINC000003899354	264015523	/nfs/dbraw/zinc/01/55/23/264015523.db2.gz	ASWPWZWWAPIRJG-XFXZXTDPSA-N	0	0	316.744	2.615	50	50		DFGARN
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2	ZINC000003893059	264016206	/nfs/dbraw/zinc/01/62/06/264016206.db2.gz	RMQNQDLBZOPXTA-LCYFTJDESA-N	0	0	309.329	2.977	50	50		DFGARN
N#C/C(=C\C=C\c1ccccc1)C(=O)NCCCn1ccnc1	ZINC000006309631	264016646	/nfs/dbraw/zinc/01/66/46/264016646.db2.gz	AHAUGBAGBZNWNT-JWTPKGPHSA-N	0	0	306.369	2.553	50	50		DFGARN
N#C/C(=C/c1ccco1)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000003299749	264016820	/nfs/dbraw/zinc/01/68/20/264016820.db2.gz	WDJOZOUCDFKWGR-OWBHPGMISA-N	0	0	323.352	2.662	50	50		DFGARN
N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)NC1CC1	ZINC000007164142	264018126	/nfs/dbraw/zinc/01/81/26/264018126.db2.gz	HOOQTFSDOOFFQQ-WEVVVXLNSA-N	0	0	309.138	2.774	50	50		DFGARN
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1F	ZINC000035323915	264021376	/nfs/dbraw/zinc/02/13/76/264021376.db2.gz	ADKATXHYLMKAAM-CYBMUJFWSA-N	0	0	302.280	2.780	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@H]2CSCC=C12	ZINC000002185028	264021446	/nfs/dbraw/zinc/02/14/46/264021446.db2.gz	CCKWFVSTTBMJRJ-JSGCOSHPSA-N	0	0	324.434	2.905	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@@H]1c1ccccc1F	ZINC000020086167	264022308	/nfs/dbraw/zinc/02/23/08/264022308.db2.gz	WUSRSDLBJWLLSI-OAHLLOKOSA-N	0	0	305.316	2.993	50	50		DFGARN
N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(C(F)(F)F)cc1	ZINC000000063015	264022705	/nfs/dbraw/zinc/02/27/05/264022705.db2.gz	TWDXZPPSGUPSLF-UHFFFAOYSA-N	0	0	322.315	2.924	50	50		DFGARN
N#CC1C(=S)NC(=O)C[C@H]1c1ccc(Br)cc1	ZINC000008973526	264022784	/nfs/dbraw/zinc/02/27/84/264022784.db2.gz	KYWLZNYZGJAYSW-VIFPVBQESA-N	0	0	309.188	2.718	50	50		DFGARN
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	ZINC000098013722	264900924	/nfs/dbraw/zinc/90/09/24/264900924.db2.gz	BQBUJVOPMWVDKI-BZPKPHBRSA-N	0	0	302.305	2.630	50	50		DFGARN
COc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]2)cc1	ZINC000013111416	425748561	/nfs/dbraw/zinc/74/85/61/425748561.db2.gz	QELNIDLWZSZCGZ-UHFFFAOYSA-N	0	0	322.368	2.654	50	50		DFGARN
O=C(Cn1cnc2ccccc21)NN=Cc1ccccc1Cl	ZINC000254626834	427222366	/nfs/dbraw/zinc/22/23/66/427222366.db2.gz	DOXKSYTXYOETFN-UHFFFAOYSA-N	0	0	312.760	2.840	50	50		DFGARN
CC(=O)[C@@H]1CC(=NNC(N)=O)[C@@H](C)[C@H](Cc2ccccc2)C1	ZINC000004266543	398348781	/nfs/dbraw/zinc/34/87/81/398348781.db2.gz	BHPBRBNOQRVGTP-GLQYFDAESA-N	0	0	301.390	2.505	50	50		DFGARN
COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccccc1	ZINC000000342762	263620114	/nfs/dbraw/zinc/62/01/14/263620114.db2.gz	UKQAPLBTGADHNQ-OQLLNIDSSA-N	0	0	308.337	2.666	50	50		DFGARN
CC(=O)C1=NN(c2ccccc2)C(N)=C(C#N)[C@H]1c1ccccc1	ZINC000035245651	263971634	/nfs/dbraw/zinc/97/16/34/263971634.db2.gz	OHXHBBFKRHVIAZ-QGZVFWFLSA-N	0	0	316.364	2.929	50	50		DFGARN
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1C	ZINC000000042441	263983210	/nfs/dbraw/zinc/98/32/10/263983210.db2.gz	KNDRRLSJLIUYKU-MRXNPFEDSA-N	0	0	312.369	2.948	50	50		DFGARN
CCOc1cccc([C@H]2c3ccc(N)cc3OC(N)=C2C#N)c1	ZINC000008846182	263987371	/nfs/dbraw/zinc/98/73/71/263987371.db2.gz	BHHJMGABDMDSHX-KRWDZBQOSA-N	0	0	307.353	2.886	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)Nc2cccnc2)cc1OC	ZINC000008687637	264000219	/nfs/dbraw/zinc/00/02/19/264000219.db2.gz	YLGIDZOCRWZSGV-JYRVWZFOSA-N	0	0	309.325	2.644	50	50		DFGARN
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(O)c2)cc1OC	ZINC000002632528	264002390	/nfs/dbraw/zinc/00/23/90/264002390.db2.gz	MYWRGDNZAGJMDB-MDWZMJQESA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccc([C@H]2Nc3nc4ccccc4n3C(N)=C2C#N)cc1	ZINC000005028351	264002694	/nfs/dbraw/zinc/00/26/94/264002694.db2.gz	JOFZWWALFYEHAW-MRXNPFEDSA-N	0	0	317.352	2.863	50	50		DFGARN
Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	ZINC000001480514	264008831	/nfs/dbraw/zinc/00/88/31/264008831.db2.gz	CECDRZJDWHHSRQ-ZDUSSCGKSA-N	0	0	313.744	2.555	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@@H]2CSCC=C12	ZINC000002185025	264019907	/nfs/dbraw/zinc/01/99/07/264019907.db2.gz	CCKWFVSTTBMJRJ-TZMCWYRMSA-N	0	0	324.434	2.905	50	50		DFGARN
COC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccccc1	ZINC000101396517	264901474	/nfs/dbraw/zinc/90/14/74/264901474.db2.gz	FCIMEQGPXGOJFB-SEYXRHQNSA-N	0	0	321.336	2.931	50	50		DFGARN
Cc1cccc2c1OCCC2=NNC(=O)COc1ccccc1	ZINC000013136630	425749951	/nfs/dbraw/zinc/74/99/51/425749951.db2.gz	ASDMANOYDPMRGA-UHFFFAOYSA-N	0	0	310.353	2.677	50	50		DFGARN
C[C@@H]1CCCCC1=NNC(=O)Cn1ccc(C(F)(F)F)n1	ZINC000006942737	398356881	/nfs/dbraw/zinc/35/68/81/398356881.db2.gz	IHNKRMACYOFFHF-SECBINFHSA-N	0	0	302.300	2.584	50	50		DFGARN
CCOc1ccc(C(=O)NN=Cc2ccc(OC)c(O)c2)cc1	ZINC000004964181	398349587	/nfs/dbraw/zinc/34/95/87/398349587.db2.gz	MQZGPLMMQUUVBZ-UHFFFAOYSA-N	0	0	314.341	2.563	50	50		DFGARN
O=S(=O)(CCBr)c1ccc(N=C=S)cc1	ZINC000048546619	398785930	/nfs/dbraw/zinc/78/59/30/398785930.db2.gz	HWLSBYLIZXZHLZ-UHFFFAOYSA-N	0	0	306.206	2.590	50	50		DFGARN
CC(N)=C(C#N)C(=O)COC(=O)C=Cc1ccc(C(C)C)cc1	ZINC000021763292	263968003	/nfs/dbraw/zinc/96/80/03/263968003.db2.gz	SZVCIJQTQRIVRM-WFCWMHMYSA-N	0	0	312.369	2.692	50	50		DFGARN
CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1	ZINC000004652847	263975713	/nfs/dbraw/zinc/97/57/13/263975713.db2.gz	AEVWRXJYPCDMFG-CYBMUJFWSA-N	0	0	318.760	2.985	50	50		DFGARN
CSc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	ZINC000016437432	264004787	/nfs/dbraw/zinc/00/47/87/264004787.db2.gz	NVEVNJFBHPHIKI-SSUFTNFISA-N	0	0	302.399	2.611	50	50		DFGARN
C[C@H](OC(=O)/C(C#N)=C/c1ccco1)C(=O)N(C)c1ccccc1	ZINC000005215721	264006106	/nfs/dbraw/zinc/00/61/06/264006106.db2.gz	OTFOBRYLCNEKLD-UQRISPGASA-N	0	0	324.336	2.781	50	50		DFGARN
Cc1cc(C=C(C#N)C(=O)Nc2ccncc2)c(C)n1C1CC1	ZINC000032726330	264007407	/nfs/dbraw/zinc/00/74/07/264007407.db2.gz	WOZLCOJCWMHPAT-XNTDXEJSSA-N	0	0	306.369	2.802	50	50		DFGARN
Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	ZINC000018123315	264008636	/nfs/dbraw/zinc/00/86/36/264008636.db2.gz	PMQGRQZSHFQCNO-ZDUSSCGKSA-N	0	0	313.744	2.555	50	50		DFGARN
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1	ZINC000003291928	264009974	/nfs/dbraw/zinc/00/99/74/264009974.db2.gz	TZPZKQGJULJVIG-XYOKQWHBSA-N	0	0	310.309	2.905	50	50		DFGARN
Cc1[nH]nc2c1[C@@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2	ZINC000004631471	264012115	/nfs/dbraw/zinc/01/21/15/264012115.db2.gz	OJJRJALCOPUXJS-HNNXBMFYSA-N	0	0	310.357	2.724	50	50		DFGARN
N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)C(N)=O	ZINC000015276551	264014925	/nfs/dbraw/zinc/01/49/25/264014925.db2.gz	ZGZUIDBOBPOOSF-PTNGSMBKSA-N	0	0	306.369	2.617	50	50		DFGARN
Cn1cc(C=C(C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)cn1	ZINC000058246699	264015011	/nfs/dbraw/zinc/01/50/11/264015011.db2.gz	WIAISJYVQSRLAU-WMZJFQQLSA-N	0	0	311.732	2.786	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(O)cc1	ZINC000004974057	264015819	/nfs/dbraw/zinc/01/58/19/264015819.db2.gz	GRVPLNXGNWRXNH-GHXNOFRVSA-N	0	0	308.293	2.667	50	50		DFGARN
N#C/C(=C\c1ccc([N+](=O)[O-])o1)S(=O)(=O)c1ccccc1	ZINC000017031027	264018100	/nfs/dbraw/zinc/01/81/00/264018100.db2.gz	BVFXFLZKFVRRAJ-XYOKQWHBSA-N	0	0	304.283	2.526	50	50		DFGARN
N#CC1=C2CCCC[C@@H]2[C@@H](c2ccc(O)cc2)C(C#N)(C#N)C1=N	ZINC000019287766	264020175	/nfs/dbraw/zinc/02/01/75/264020175.db2.gz	ZOCRMFXOQMNDGL-DOTOQJQBSA-N	0	0	316.364	2.986	50	50		DFGARN
N#CC(C#N)=Cc1cnc(N2CCN(c3ccccc3)CC2)s1	ZINC000001406063	264020527	/nfs/dbraw/zinc/02/05/27/264020527.db2.gz	DKYJLGTVJFVNGP-UHFFFAOYSA-N	0	0	321.409	2.900	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccco1	ZINC000004457944	264022632	/nfs/dbraw/zinc/02/26/32/264022632.db2.gz	BSOFDWMEXIKMGG-ZDUSSCGKSA-N	0	0	304.309	2.888	50	50		DFGARN
N#Cc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1	ZINC000005776845	264025185	/nfs/dbraw/zinc/02/51/85/264025185.db2.gz	FTQSMFSLGYSEJT-SRZZPIQSSA-N	0	0	302.337	2.732	50	50		DFGARN
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12	ZINC000013111892	425748054	/nfs/dbraw/zinc/74/80/54/425748054.db2.gz	FKCWSYOTISYVAL-UHFFFAOYSA-N	0	0	308.297	2.840	50	50		DFGARN
NC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1	ZINC000013110550	425748405	/nfs/dbraw/zinc/74/84/05/425748405.db2.gz	QEKGRPBESPKSOF-UHFFFAOYSA-N	0	0	303.749	2.921	50	50		DFGARN
COc1ccc(C(C)=NNC(=O)c2ccccc2O)c(OC)c1	ZINC000000125392	398345277	/nfs/dbraw/zinc/34/52/77/398345277.db2.gz	MOQSDPBUGLVWAZ-UHFFFAOYSA-N	0	0	314.341	2.563	50	50		DFGARN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NN=Cc1cccc(F)c1	ZINC000245283951	398382088	/nfs/dbraw/zinc/38/20/88/398382088.db2.gz	PEKCSSBOFRGIQY-GFCCVEGCSA-N	0	0	311.316	2.615	50	50		DFGARN
O=C(NN=Cc1ccccc1O)c1ccc(Br)cc1	ZINC000245265027	398381391	/nfs/dbraw/zinc/38/13/91/398381391.db2.gz	FSJACRPWMBPHIT-UHFFFAOYSA-N	0	0	319.158	2.919	50	50		DFGARN
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(O)c1	ZINC000000088417	263616942	/nfs/dbraw/zinc/61/69/42/263616942.db2.gz	XKZTXDZEEIGENV-HNNXBMFYSA-N	0	0	310.353	2.843	50	50		DFGARN
CC(C)c1ccc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1	ZINC000033247214	263973340	/nfs/dbraw/zinc/97/33/40/263973340.db2.gz	ZGSLVHRSVIEGHT-DHDCSXOGSA-N	0	0	321.384	2.517	50	50		DFGARN
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)cc(C)cc1C	ZINC000000043620	263993126	/nfs/dbraw/zinc/99/31/26/263993126.db2.gz	FRDLFLWTZXSXMV-MRXNPFEDSA-N	0	0	312.369	2.867	50	50		DFGARN
COc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1ccccc1	ZINC000013576884	263997951	/nfs/dbraw/zinc/99/79/51/263997951.db2.gz	UKQAPLBTGADHNQ-DHDCSXOGSA-N	0	0	308.337	2.666	50	50		DFGARN
COc1ccc(O)c(/C=C(\C#N)C(=O)NCc2ccccc2)c1	ZINC000003317164	264001424	/nfs/dbraw/zinc/00/14/24/264001424.db2.gz	KTTIQZOHXDWCCA-OQLLNIDSSA-N	0	0	308.337	2.624	50	50		DFGARN
COc1ccc(NC=C(C#N)C(=O)NCc2ccccc2)cc1	ZINC000005021746	264001897	/nfs/dbraw/zinc/00/18/97/264001897.db2.gz	WMCIFTLDNLLWFU-SQFISAMPSA-N	0	0	307.353	2.831	50	50		DFGARN
COc1ccc([C@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1	ZINC000013122638	264003035	/nfs/dbraw/zinc/00/30/35/264003035.db2.gz	GKQXKVDOJPDFAD-INIZCTEOSA-N	0	0	317.352	2.754	50	50	aggregator	DFGARN
COc1nc2c([nH]1)[C@@H](c1ccccc1C(C)(C)C)C(C#N)=C(N)O2	ZINC000006419555	264004698	/nfs/dbraw/zinc/00/46/98/264004698.db2.gz	XEFJRUQLKWYLRT-ZDUSSCGKSA-N	0	0	324.384	2.934	50	50		DFGARN
Cc1cc(C)c(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1C	ZINC000008734311	264007324	/nfs/dbraw/zinc/00/73/24/264007324.db2.gz	BYTDQLCEYHAVOR-RIYZIHGNSA-N	0	0	308.389	2.509	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)O2	ZINC000008783259	264008076	/nfs/dbraw/zinc/00/80/76/264008076.db2.gz	LIEITAIFBIIEEV-LLVKDONJSA-N	0	0	320.757	2.881	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	ZINC000000059263	264008715	/nfs/dbraw/zinc/00/87/15/264008715.db2.gz	WAEHAKFKBYBLNN-CYBMUJFWSA-N	0	0	314.728	2.820	50	50		DFGARN
Cc1ccc(N2C(=S)C(C#N)C(=O)N[C@H]2c2ccco2)cc1	ZINC000004116936	264009842	/nfs/dbraw/zinc/00/98/42/264009842.db2.gz	VFIRJYJMECEAGF-CQSZACIVSA-N	0	0	311.366	2.888	50	50		DFGARN
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)n1	ZINC000037866085	264011283	/nfs/dbraw/zinc/01/12/83/264011283.db2.gz	XZCFCVDFHCBAIB-MDWZMJQESA-N	0	0	308.297	2.844	50	50		DFGARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccoc1)C(C#N)=C(N)O2	ZINC000000031807	264013293	/nfs/dbraw/zinc/01/32/93/264013293.db2.gz	IIWJUZGHRGNEQE-MRXNPFEDSA-N	0	0	318.336	2.992	50	50		DFGARN
Cc1nc2sccn2c1[C@H]1c2ccc(N)cc2OC(N)=C1C#N	ZINC000018199196	264013769	/nfs/dbraw/zinc/01/37/69/264013769.db2.gz	UAEJOETYYWPCIB-ZDUSSCGKSA-N	0	0	323.381	2.505	50	50		DFGARN
Cn1cccc1[C@@H]1c2c(n[nH]c2-c2ccccc2)OC(N)=C1C#N	ZINC000005123850	264014676	/nfs/dbraw/zinc/01/46/76/264014676.db2.gz	KVISDYKFBCJWLC-CQSZACIVSA-N	0	0	317.352	2.633	50	50		DFGARN
N#C/C(=C\c1cc(Br)ccc1F)C(=O)NC1CC1	ZINC000007164114	264017342	/nfs/dbraw/zinc/01/73/42/264017342.db2.gz	YMWAQJAZGIDOCI-WEVVVXLNSA-N	0	0	309.138	2.774	50	50		DFGARN
N#C/C(C(N)=O)=C1\Oc2c(cc(O)cc2-c2ccccc2)S1	ZINC000013618147	264019422	/nfs/dbraw/zinc/01/94/22/264019422.db2.gz	FFQUEVCWMIZVHX-VBKFSLOCSA-N	0	0	310.334	2.764	50	50		DFGARN
N#CC1=C2CCCC[C@H]2[C@H](c2cccnc2)C(C#N)(C#N)C1=N	ZINC000019806041	264019841	/nfs/dbraw/zinc/01/98/41/264019841.db2.gz	SKHUSYJUUFUCRA-ZBFHGGJFSA-N	0	0	301.353	2.675	50	50		DFGARN
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2[nH]1	ZINC000000506322	264021567	/nfs/dbraw/zinc/02/15/67/264021567.db2.gz	KQNDKZFCHYAOJX-INIZCTEOSA-N	0	0	305.337	2.983	50	50		DFGARN
N#CC1=C2CCCC[C@H]2[C@@H](c2ccncc2)C(C#N)(C#N)C1=N	ZINC000019818653	264021708	/nfs/dbraw/zinc/02/17/08/264021708.db2.gz	LYNQWMKXNJUABN-GDBMZVCRSA-N	0	0	301.353	2.675	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@@H]1c1ccc(O)cc1	ZINC000020086201	264022678	/nfs/dbraw/zinc/02/26/78/264022678.db2.gz	RCTRTKBRKMLACT-OAHLLOKOSA-N	0	0	303.325	2.560	50	50		DFGARN
N#Cc1ccc(C(=O)NNc2c(F)c(F)cc(F)c2F)cc1	ZINC000002651350	264024864	/nfs/dbraw/zinc/02/48/64/264024864.db2.gz	HITKLFRRJWEDOV-UHFFFAOYSA-N	0	0	309.222	2.872	50	50		DFGARN
CSc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)cc1	ZINC000013113540	425748344	/nfs/dbraw/zinc/74/83/44/425748344.db2.gz	MIPUOSSEGDRLCV-UHFFFAOYSA-N	0	0	302.355	2.584	50	50		DFGARN
COc1ccc(OCC(=O)NN=Cc2ccccc2Cl)cc1	ZINC000250567440	427157078	/nfs/dbraw/zinc/15/70/78/427157078.db2.gz	BUEFKVNUGCHORF-UHFFFAOYSA-N	0	0	318.760	2.878	50	50		DFGARN
Cn1cccc1C(=O)NN=CC1=Cc2cc(Cl)ccc2OC1	ZINC000254696780	427221422	/nfs/dbraw/zinc/22/14/22/427221422.db2.gz	BWYKVLOCNDBTIK-UHFFFAOYSA-N	0	0	315.760	2.870	50	50		DFGARN
CC(C)[C@H]1CC[C@H](C)CC1=NNC(=O)CN1CCCCCC1=O	ZINC000096298294	398659728	/nfs/dbraw/zinc/65/97/28/398659728.db2.gz	KCXPNPFULGWWTA-LSDHHAIUSA-N	0	0	321.465	2.953	50	50		DFGARN
CCC1=C(C(=O)OC)[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O1	ZINC000004784043	263976255	/nfs/dbraw/zinc/97/62/55/263976255.db2.gz	DVIWLTMXYXTSAC-CYBMUJFWSA-N	0	0	320.295	2.610	50	50		DFGARN
CCCOc1cccc([C@@H]2c3c(C)[nH]nc3OC(N)=C2C#N)c1	ZINC000008845698	263976923	/nfs/dbraw/zinc/97/69/23/263976923.db2.gz	IZWHONWNXOYIAV-HNNXBMFYSA-N	0	0	310.357	2.725	50	50		DFGARN
COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccccc1C	ZINC000001295090	263994159	/nfs/dbraw/zinc/99/41/59/263994159.db2.gz	MPJDCAKJXNMMEA-QWHCGFSZSA-N	0	0	316.382	2.936	50	50		DFGARN
COc1ccc([C@H]2c3cc4c(cc3OC(N)=C2C#N)OCO4)cc1	ZINC000000468277	264003077	/nfs/dbraw/zinc/00/30/77/264003077.db2.gz	MJYVIAGIXQQKFR-KRWDZBQOSA-N	0	0	322.320	2.642	50	50		DFGARN
COc1cccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c1	ZINC000065095889	264003796	/nfs/dbraw/zinc/00/37/96/264003796.db2.gz	NJUBEXZGQOHINM-UHFFFAOYSA-N	0	0	312.350	2.986	50	50		DFGARN
COc1cccc([C@H]2c3ccc(N(C)C)cc3OC(N)=C2C#N)c1	ZINC000013586156	264004207	/nfs/dbraw/zinc/00/42/07/264004207.db2.gz	JFMHZCNVZLFFKN-SFHVURJKSA-N	0	0	321.380	2.979	50	50		DFGARN
C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1	ZINC000002557951	264006314	/nfs/dbraw/zinc/00/63/14/264006314.db2.gz	UMGQVUWXNOJOSJ-DGGAMASNSA-N	0	0	308.337	2.882	50	50	in-vitro	DFGARN
Cc1cc(/C=C(\C#N)S(C)(=O)=O)cc(C)c1OC(F)F	ZINC000008777182	264007166	/nfs/dbraw/zinc/00/71/66/264007166.db2.gz	JJYQZZCDNZUOCH-IZZDOVSWSA-N	0	0	301.314	2.814	50	50		DFGARN
Cc1c(Br)cnn1[C@@H](C)C(=O)NC1=C(C#N)CCC1	ZINC000006527574	264007247	/nfs/dbraw/zinc/00/72/47/264007247.db2.gz	BAFZLAJFKQYHQI-VIFPVBQESA-N	0	0	323.194	2.593	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@H](c1c[nH]c3ccccc31)C(C#N)=C(N)O2	ZINC000001432878	264008146	/nfs/dbraw/zinc/00/81/46/264008146.db2.gz	VACWGCCXATVQAJ-HNNXBMFYSA-N	0	0	319.320	2.648	50	50		DFGARN
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1	ZINC000033414602	264009638	/nfs/dbraw/zinc/00/96/38/264009638.db2.gz	TZPZKQGJULJVIG-WQLSENKSSA-N	0	0	310.309	2.905	50	50		DFGARN
N#CC(=Cc1c[nH]nc1-c1ccccc1)C(=O)NCc1ccco1	ZINC000005729080	264014770	/nfs/dbraw/zinc/01/47/70/264014770.db2.gz	NYSSOJASDJJEDP-ZROIWOOFSA-N	0	0	318.336	2.893	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCCO2)c1nnc2n1CCCCC2	ZINC000033670178	264015564	/nfs/dbraw/zinc/01/55/64/264015564.db2.gz	NBGISVBZAXPCCF-UVTDQMKNSA-N	0	0	322.368	2.840	50	50		DFGARN
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)NC(N)=O	ZINC000008518211	264015889	/nfs/dbraw/zinc/01/58/89/264015889.db2.gz	QSAHXWODHBNQGC-LCYFTJDESA-N	0	0	307.309	2.581	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21	ZINC000035332366	264016356	/nfs/dbraw/zinc/01/63/56/264016356.db2.gz	VTEFTUGOWIQOSD-DHDCSXOGSA-N	0	0	318.332	2.912	50	50		DFGARN
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCc1ccccn1	ZINC000006644367	264017431	/nfs/dbraw/zinc/01/74/31/264017431.db2.gz	AQWTWWIZZISSPD-UKTHLTGXSA-N	0	0	302.337	2.786	50	50		DFGARN
N#C/C(=C\c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	ZINC000002574823	264017866	/nfs/dbraw/zinc/01/78/66/264017866.db2.gz	HVWWVMVGGXJMBU-RIYZIHGNSA-N	0	0	313.334	2.754	50	50		DFGARN
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1	ZINC000004985290	264018267	/nfs/dbraw/zinc/01/82/67/264018267.db2.gz	IPONPOKSOBJFDC-VQHVLOKHSA-N	0	0	301.233	2.873	50	50		DFGARN
N#C/C(=C\c1cccc2[nH]ccc21)C(=O)NCc1cccnc1	ZINC000061718753	264019388	/nfs/dbraw/zinc/01/93/88/264019388.db2.gz	OYBCSYBMGDONLK-OQLLNIDSSA-N	0	0	302.337	2.786	50	50		DFGARN
N#CC(NC(=O)c1ccc(Br)o1)=C(Cl)Cl	ZINC000027662642	264019928	/nfs/dbraw/zinc/01/99/28/264019928.db2.gz	UGULCQUNYKLYDD-UHFFFAOYSA-N	0	0	309.934	2.942	50	50		DFGARN
N#CC(C#N)=CNCCNc1ncc(C(F)(F)F)cc1Cl	ZINC000020218884	264020321	/nfs/dbraw/zinc/02/03/21/264020321.db2.gz	GWAFXMNRAKBYFB-UHFFFAOYSA-N	0	0	315.686	2.686	50	50		DFGARN
N#CC1=C2CCCC[C@H]2[C@H](c2ccc(O)cc2)C(C#N)(C#N)C1=N	ZINC000019287779	264020710	/nfs/dbraw/zinc/02/07/10/264020710.db2.gz	ZOCRMFXOQMNDGL-WBVHZDCISA-N	0	0	316.364	2.986	50	50		DFGARN
N#CC1C(=O)N[C@@H](c2ccccc2)N(c2ccccc2)C1=S	ZINC000004619741	264022590	/nfs/dbraw/zinc/02/25/90/264022590.db2.gz	SHGAPLGCSXZJMV-OAHLLOKOSA-N	0	0	307.378	2.987	50	50		DFGARN
N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CCl)CCCC2	ZINC000032627579	264024048	/nfs/dbraw/zinc/02/40/48/264024048.db2.gz	NRUFLRSCJADFRI-LLVKDONJSA-N	0	0	321.808	2.595	50	50		DFGARN
CNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1	ZINC000096433625	264901299	/nfs/dbraw/zinc/90/12/99/264901299.db2.gz	MCPKBJAHUGSBHD-GMMCIKNFSA-N	0	0	320.776	2.551	50	50		DFGARN
O=C(COc1ccc(Br)cc1)NN=Cc1ccco1	ZINC000252452565	427173716	/nfs/dbraw/zinc/17/37/16/427173716.db2.gz	PHVDFFRFSAAOGD-UHFFFAOYSA-N	0	0	323.146	2.571	50	50		DFGARN
N#Cc1ccc(C=NNC(=O)COc2ccccc2Cl)cc1	ZINC000252467506	427175133	/nfs/dbraw/zinc/17/51/33/427175133.db2.gz	OUWITZVDIATKDX-UHFFFAOYSA-N	0	0	313.744	2.741	50	50		DFGARN
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(F)c1	ZINC000254800483	427224321	/nfs/dbraw/zinc/22/43/21/427224321.db2.gz	UBJPOVVSOBAZQN-INIZCTEOSA-N	0	0	314.316	2.506	50	50		DFGARN
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)CN1CCCCCC1=O	ZINC000096298293	398659262	/nfs/dbraw/zinc/65/92/62/398659262.db2.gz	KCXPNPFULGWWTA-HUUCEWRRSA-N	0	0	321.465	2.953	50	50		DFGARN
CC(N)=C(C#N)C(=S)NC(=O)c1cc(Cl)ccc1Cl	ZINC000211054062	542870108	/nfs/dbraw/zinc/87/01/08/542870108.db2.gz	HPTBBAYBHLAQOA-RMKNXTFCSA-N	0	0	314.197	2.807	50	50		DFGARN
CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@H]1c1ccsc1	ZINC000000370228	263620464	/nfs/dbraw/zinc/62/04/64/263620464.db2.gz	OJSXQXBMBDLIOV-LLVKDONJSA-N	0	0	324.789	2.612	50	50		DFGARN
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(N)=O)cc2)o1	ZINC000004700067	263983497	/nfs/dbraw/zinc/98/34/97/263983497.db2.gz	RKMVMMFWOVMCIR-LCYFTJDESA-N	0	0	310.309	2.516	50	50		DFGARN
CNC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn21	ZINC000017475061	263991980	/nfs/dbraw/zinc/99/19/80/263991980.db2.gz	HYJIVXJTNBDVFS-SDNWHVSQSA-N	0	0	302.337	2.654	50	50		DFGARN
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C	ZINC000004994054	263996134	/nfs/dbraw/zinc/99/61/34/263996134.db2.gz	AKKDFKXKKJFPEO-SFQUDFHCSA-N	0	0	323.396	2.764	50	50		DFGARN
COc1ccc([C@@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1	ZINC000013122637	264003138	/nfs/dbraw/zinc/00/31/38/264003138.db2.gz	GKQXKVDOJPDFAD-MRXNPFEDSA-N	0	0	317.352	2.754	50	50	aggregator	DFGARN
COc1cccc(/C=C(\C#N)C(=O)NC2CCCC2)c1OC	ZINC000004575049	264004182	/nfs/dbraw/zinc/00/41/82/264004182.db2.gz	OSLWFCPVCSDISL-JLHYYAGUSA-N	0	0	300.358	2.670	50	50		DFGARN
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cnn1C	ZINC000017030622	264007278	/nfs/dbraw/zinc/00/72/78/264007278.db2.gz	FFEXONDVIJBKRK-YRNVUSSQSA-N	0	0	300.749	2.928	50	50		DFGARN
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=O)o1	ZINC000033402603	264008179	/nfs/dbraw/zinc/00/81/79/264008179.db2.gz	YJSGLCADXSMIDB-LCYFTJDESA-N	0	0	318.336	2.833	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)O2	ZINC000008783258	264008266	/nfs/dbraw/zinc/00/82/66/264008266.db2.gz	LIEITAIFBIIEEV-NSHDSACASA-N	0	0	320.757	2.881	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	ZINC000000059262	264008508	/nfs/dbraw/zinc/00/85/08/264008508.db2.gz	WAEHAKFKBYBLNN-ZDUSSCGKSA-N	0	0	314.728	2.820	50	50		DFGARN
Cc1ccc(C)n1/C(C#N)=C(\C#N)NC(=O)c1ccc(F)cc1	ZINC000004088988	264009934	/nfs/dbraw/zinc/00/99/34/264009934.db2.gz	UFCDKOGFRPKOLO-FOCLMDBBSA-N	0	0	308.316	2.890	50	50		DFGARN
Cc1ccc(OCCOc2ccccc2/C=C(/C#N)C(N)=O)cc1	ZINC000004551661	264011251	/nfs/dbraw/zinc/01/12/51/264011251.db2.gz	SDTALWBYODSLRS-VBKFSLOCSA-N	0	0	322.364	2.845	50	50		DFGARN
Cc1ccccc1OCCOc1ccc(/C=C(\C#N)C(N)=O)cc1	ZINC000004600493	264012606	/nfs/dbraw/zinc/01/26/06/264012606.db2.gz	OEXWXOGXGDEPTB-FOWTUZBSSA-N	0	0	322.364	2.845	50	50		DFGARN
Cc1sc2[nH]c(C(C#N)=C3C=CC=CN3C)nc(=O)c2c1C	ZINC000012699363	264013350	/nfs/dbraw/zinc/01/33/50/264013350.db2.gz	GHQYRLOKDQKNND-VAWYXSNFSA-N	0	0	310.382	2.851	50	50		DFGARN
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)C(N)=O	ZINC000033408353	264013518	/nfs/dbraw/zinc/01/35/18/264013518.db2.gz	ILDGQQZQVBDKDR-TWGQIWQCSA-N	0	0	321.167	2.880	50	50		DFGARN
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000016677427	264015615	/nfs/dbraw/zinc/01/56/15/264015615.db2.gz	FLKGXHKJLGBFQE-WQLSENKSSA-N	0	0	309.281	2.846	50	50		DFGARN
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1O	ZINC000005214137	264015699	/nfs/dbraw/zinc/01/56/99/264015699.db2.gz	LDVJZYDVIZUKQO-XFXZXTDPSA-N	0	0	309.281	2.846	50	50		DFGARN
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(N)=O	ZINC000001810776	264016791	/nfs/dbraw/zinc/01/67/91/264016791.db2.gz	HVKFKLRHYKELFD-VMPITWQZSA-N	0	0	317.688	2.900	50	50		DFGARN
N#CC(=CNc1ccc(Nc2ccccc2)cc1)c1nn[nH]n1	ZINC000015894687	264017248	/nfs/dbraw/zinc/01/72/48/264017248.db2.gz	FLPLCJJGNZGOAW-VAWYXSNFSA-N	0	0	303.329	2.920	50	50		DFGARN
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1	ZINC000003362814	264018010	/nfs/dbraw/zinc/01/80/10/264018010.db2.gz	AGLVTNOIWMWMHZ-YRNVUSSQSA-N	0	0	305.721	2.778	50	50		DFGARN
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21	ZINC000002204479	264018096	/nfs/dbraw/zinc/01/80/96/264018096.db2.gz	MYKCTDWWIWGLHW-NTEUORMPSA-N	0	0	306.321	2.594	50	50		DFGARN
N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2	ZINC000012680410	264019466	/nfs/dbraw/zinc/01/94/66/264019466.db2.gz	YKRYZRSUDYJJBT-JLHYYAGUSA-N	0	0	309.329	2.977	50	50		DFGARN
N#C/C(=C\c1cnc2ccccc2n1)S(=O)(=O)c1ccccc1	ZINC000000610528	264019615	/nfs/dbraw/zinc/01/96/15/264019615.db2.gz	TZJCUHZQBCRYRM-XNTDXEJSSA-N	0	0	321.361	2.968	50	50		DFGARN
N#CC1=C2CCCC[C@H]2[C@@H](c2ccc(O)cc2)C(C#N)(C#N)C1=N	ZINC000019287771	264020095	/nfs/dbraw/zinc/02/00/95/264020095.db2.gz	ZOCRMFXOQMNDGL-NVXWUHKLSA-N	0	0	316.364	2.986	50	50		DFGARN
N#CC1=C(N)Oc2c(ccc3cccnc32)[C@H]1c1ccncc1	ZINC000000492441	264021208	/nfs/dbraw/zinc/02/12/08/264021208.db2.gz	YNEIROJBBRXLDJ-OAHLLOKOSA-N	0	0	300.321	2.848	50	50		DFGARN
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1F	ZINC000035323912	264021514	/nfs/dbraw/zinc/02/15/14/264021514.db2.gz	ADKATXHYLMKAAM-ZDUSSCGKSA-N	0	0	302.280	2.780	50	50		DFGARN
N#CCCn1cc(/C=C(\C#N)C(N)=S)c(-c2ccccc2)n1	ZINC000003308155	264023702	/nfs/dbraw/zinc/02/37/02/264023702.db2.gz	NXBPNRFVIPVWKB-UKTHLTGXSA-N	0	0	307.382	2.657	50	50		DFGARN
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O	ZINC000012418985	560211885	/nfs/dbraw/zinc/21/18/85/560211885.db2.gz	QFMIGYKAOSBQJF-WQLSENKSSA-N	0	0	310.309	2.652	50	50	biogenic,in-vitro	DFGARN
CN(C)c1ccc(C=NNC(=O)c2cccc3cc[nH]c32)cc1	ZINC000013110493	398387240	/nfs/dbraw/zinc/38/72/40/398387240.db2.gz	CTOKMIQHFQQZTC-UHFFFAOYSA-N	0	0	306.369	2.998	50	50		DFGARN
O=C(NN=Cc1cccc(Br)c1)c1cccnc1	ZINC000027062096	398458587	/nfs/dbraw/zinc/45/85/87/398458587.db2.gz	YYRXIUPWQFLNDB-UHFFFAOYSA-N	0	0	304.147	2.608	50	50		DFGARN
CCOC(=O)CCn1cc(C=C(C#N)C#N)c(-c2ccccc2)n1	ZINC000003214515	263983433	/nfs/dbraw/zinc/98/34/33/263983433.db2.gz	LUUAPEWRVNDMGI-UHFFFAOYSA-N	0	0	320.352	2.934	50	50		DFGARN
CCn1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(C)n1	ZINC000017030694	263988988	/nfs/dbraw/zinc/98/89/88/263988988.db2.gz	ZSRNXCUNNCPZLV-OQLLNIDSSA-N	0	0	301.371	2.550	50	50		DFGARN
CCc1nnc(N[C@@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)s1	ZINC000040286884	263989254	/nfs/dbraw/zinc/98/92/54/263989254.db2.gz	SFBCPXNEFLEIST-SNVBAGLBSA-N	0	0	317.296	2.581	50	50		DFGARN
COc1ccc(O)c(/C=C(/C#N)C(=O)Nc2ccccc2C#N)c1	ZINC000033361927	264001777	/nfs/dbraw/zinc/00/17/77/264001777.db2.gz	HLMMNMWRSKJKFV-ZSOIEALJSA-N	0	0	319.320	2.818	50	50		DFGARN
COc1ccccc1/C=C(/C#N)C(=O)NCCc1ccccc1	ZINC000033417375	264004190	/nfs/dbraw/zinc/00/41/90/264004190.db2.gz	HEZYXUXOJBGYLJ-LGMDPLHJSA-N	0	0	306.365	2.961	50	50		DFGARN
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1	ZINC000003283540	264006307	/nfs/dbraw/zinc/00/63/07/264006307.db2.gz	HRSUSJHRQFSVAN-JPZMSJPLSA-N	0	0	303.318	2.790	50	50		DFGARN
Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21	ZINC000000568029	264014538	/nfs/dbraw/zinc/01/45/38/264014538.db2.gz	PULFNWVMNXXPFI-KRWDZBQOSA-N	0	0	319.364	2.993	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1	ZINC000006222990	264015884	/nfs/dbraw/zinc/01/58/84/264015884.db2.gz	NAMJMCMKYDUPDY-YBEGLDIGSA-N	0	0	320.348	2.681	50	50		DFGARN
N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1	ZINC000003570390	264018109	/nfs/dbraw/zinc/01/81/09/264018109.db2.gz	JEFDDWNLQLEYIC-GXDHUFHOSA-N	0	0	312.369	2.814	50	50		DFGARN
N#CC1=C2CCCC[C@@H]2[C@H](c2cccnc2)C(C#N)(C#N)C1=N	ZINC000019806039	264020109	/nfs/dbraw/zinc/02/01/09/264020109.db2.gz	SKHUSYJUUFUCRA-HOCLYGCPSA-N	0	0	301.353	2.675	50	50		DFGARN
O=C(NN=C1CCSc2ccc(F)cc21)c1cccnc1	ZINC000013135871	425750527	/nfs/dbraw/zinc/75/05/27/425750527.db2.gz	XAVDSVVCKLRCEM-UHFFFAOYSA-N	0	0	301.346	2.851	50	50		DFGARN
COc1ccccc1N[C@@H](C)C(=O)NN=Cc1ccc(F)cc1	ZINC000006545387	398355612	/nfs/dbraw/zinc/35/56/12/398355612.db2.gz	LROHHSIYDXYKKB-LBPRGKRZSA-N	0	0	315.348	2.785	50	50		DFGARN
O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12	ZINC000013113599	398387283	/nfs/dbraw/zinc/38/72/83/398387283.db2.gz	JXESNBIABDNWPC-UHFFFAOYSA-N	0	0	308.297	2.840	50	50		DFGARN
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cccnc1	ZINC000015854515	398397361	/nfs/dbraw/zinc/39/73/61/398397361.db2.gz	VYTHKVDYIDGEPR-UHFFFAOYSA-N	0	0	324.167	2.918	50	50		DFGARN
C[C@@H](NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000006525266	269839867	/nfs/dbraw/zinc/83/98/67/269839867.db2.gz	YKAPTNHJXOXVNR-NASPGAHYSA-N	0	0	311.297	2.972	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1	ZINC000000140245	263617688	/nfs/dbraw/zinc/61/76/88/263617688.db2.gz	YUTVJDXNPGWLNH-MDWZMJQESA-N	0	0	322.320	2.970	50	50		DFGARN
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1O	ZINC000000149330	263617759	/nfs/dbraw/zinc/61/77/59/263617759.db2.gz	ARCIALMKPIGEIV-MDWZMJQESA-N	0	0	312.325	2.607	50	50		DFGARN
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(N)=O	ZINC000000432074	263619996	/nfs/dbraw/zinc/61/99/96/263619996.db2.gz	OMTYRBIHYKFMIY-YVMONPNESA-N	0	0	317.688	2.900	50	50		DFGARN
C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1	ZINC000002258908	263970448	/nfs/dbraw/zinc/97/04/48/263970448.db2.gz	KHHVMMHNKAJPSV-QGZVFWFLSA-N	0	0	310.353	2.922	50	50		DFGARN
CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@H]1c1ccc(C)cc1C	ZINC000005607597	263982937	/nfs/dbraw/zinc/98/29/37/263982937.db2.gz	SRFUHTHDDHWTJR-MRXNPFEDSA-N	0	0	311.385	2.521	50	50		DFGARN
CCOC(=O)c1sc(NC(=O)CCCl)c(C#N)c1C	ZINC000001964988	263984231	/nfs/dbraw/zinc/98/42/31/263984231.db2.gz	WCCHBHKPVOLCJC-UHFFFAOYSA-N	0	0	300.767	2.672	50	50		DFGARN
CCSC1=C(C#N)[C@H](c2cc(OC)ccc2OC)CC(=O)N1	ZINC000009110793	263987305	/nfs/dbraw/zinc/98/73/05/263987305.db2.gz	ILNXFDLEUPEQSU-NSHDSACASA-N	0	0	318.398	2.796	50	50		DFGARN
CNC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccccn2)c(C)c1	ZINC000032922427	263991517	/nfs/dbraw/zinc/99/15/17/263991517.db2.gz	GFYVLVPIQDSBLW-MHWRWJLKSA-N	0	0	321.380	2.930	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1O	ZINC000033431574	263999209	/nfs/dbraw/zinc/99/92/09/263999209.db2.gz	ZSGCSMZNTOVJQR-WJDWOHSUSA-N	0	0	322.364	2.667	50	50		DFGARN
Cc1cc2c(c(=O)n1C1CC1)[C@H](c1ccccc1)C(C#N)=C(N)O2	ZINC000002436536	264008357	/nfs/dbraw/zinc/00/83/57/264008357.db2.gz	DNOIVVSUVBNRCC-MRXNPFEDSA-N	0	0	319.364	2.710	50	50		DFGARN
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCc1cccnc1	ZINC000006644368	264017297	/nfs/dbraw/zinc/01/72/97/264017297.db2.gz	VBYUNQKQHVGCQY-RIYZIHGNSA-N	0	0	302.337	2.786	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@H]2CSCC=C12	ZINC000023410400	264020088	/nfs/dbraw/zinc/02/00/88/264020088.db2.gz	RXTFAAXINIBMQQ-HOTGVXAUSA-N	0	0	318.405	2.843	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2[C@@H]1c1ccsc1	ZINC000000620207	264021687	/nfs/dbraw/zinc/02/16/87/264021687.db2.gz	ZNONVXPGDQFUBT-GFCCVEGCSA-N	0	0	321.365	2.751	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2[C@H]1c1ccsc1	ZINC000004166702	264022566	/nfs/dbraw/zinc/02/25/66/264022566.db2.gz	LDLCDSUXOQQJFQ-LBPRGKRZSA-N	0	0	321.365	2.751	50	50		DFGARN
Cn1cc(C=NNC(=O)c2ccc(C#N)cc2F)c2ccccc21	ZINC000013111454	425748743	/nfs/dbraw/zinc/74/87/43/425748743.db2.gz	AMLVKYONAMEFQP-UHFFFAOYSA-N	0	0	320.327	2.953	50	50		DFGARN
O=C(NN=C1CCCc2ccccc21)[C@H]1COc2ccccc2O1	ZINC000254441554	427218790	/nfs/dbraw/zinc/21/87/90/427218790.db2.gz	IXORGLFHOVZXMD-GOSISDBHSA-N	0	0	322.364	2.683	50	50		DFGARN
Cc1occc1C(=O)NN=Cc1cc(Br)ccc1O	ZINC000254304863	427219980	/nfs/dbraw/zinc/21/99/80/427219980.db2.gz	UXNPVZDVSOVIFW-UHFFFAOYSA-N	0	0	323.146	2.820	50	50		DFGARN
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	ZINC000000081839	263616892	/nfs/dbraw/zinc/61/68/92/263616892.db2.gz	BARCBMOFNAAWDY-ZDUSSCGKSA-N	0	0	304.733	2.595	50	50		DFGARN
CCc1[nH]nc2c1[C@@H](c1c[nH]c3ccccc31)C(C#N)=C(N)O2	ZINC000005130051	263988174	/nfs/dbraw/zinc/98/81/74/263988174.db2.gz	NRKYVUZXRLHHEB-CQSZACIVSA-N	0	0	305.341	2.672	50	50		DFGARN
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	ZINC000005101253	264002201	/nfs/dbraw/zinc/00/22/01/264002201.db2.gz	MTZMSQDJKVTRJI-GDNBJRDFSA-N	0	0	308.337	2.624	50	50		DFGARN
COc1ccc(NC(=O)/C(C#N)=C/c2cccnc2)c(OC)c1	ZINC000015933683	264002350	/nfs/dbraw/zinc/00/23/50/264002350.db2.gz	UCHINQUKAWFYOB-MDWZMJQESA-N	0	0	309.325	2.644	50	50		DFGARN
COc1ccc([C@H]2c3ccc(O)cc3OC(N)=C2C#N)c(OC)c1	ZINC000007516647	264003295	/nfs/dbraw/zinc/00/32/95/264003295.db2.gz	RWAJQJYNIMSHRX-KRWDZBQOSA-N	0	0	324.336	2.628	50	50		DFGARN
N#C/C(=C/c1c(F)cccc1Cl)C(=O)NC[C@H]1CCCO1	ZINC000033302211	264014333	/nfs/dbraw/zinc/01/43/33/264014333.db2.gz	YJYFVEDGIBIXDE-ZJRUKIMVSA-N	0	0	308.740	2.681	50	50		DFGARN
N#CC(=CNc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000018096915	264017162	/nfs/dbraw/zinc/01/71/62/264017162.db2.gz	ZJMBGMMHYRWXEA-GXDHUFHOSA-N	0	0	319.773	2.986	50	50		DFGARN
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O	ZINC000003570163	264019471	/nfs/dbraw/zinc/01/94/71/264019471.db2.gz	IONAMTQUYCMBFK-RVDMUPIBSA-N	0	0	314.348	2.932	50	50		DFGARN
N#C/C(=C\c1ccco1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000009606376	264019511	/nfs/dbraw/zinc/01/95/11/264019511.db2.gz	ADUMVLXYPGXJSJ-PKNBQFBNSA-N	0	0	304.313	2.855	50	50		DFGARN
N#CC(C(=O)CO/N=C/c1ccccc1)=C1Nc2ccccc2N1	ZINC000005790605	264020685	/nfs/dbraw/zinc/02/06/85/264020685.db2.gz	DQUTULWRQJMLOH-RGVLZGJSSA-N	0	0	318.336	2.879	50	50		DFGARN
N#CC1=C(N)N(c2ccccc2)[C@H](c2ccco2)C1(C#N)C#N	ZINC000000519986	264021354	/nfs/dbraw/zinc/02/13/54/264021354.db2.gz	GUPFTQZXYCJXSL-OAHLLOKOSA-N	0	0	301.309	2.568	50	50		DFGARN
N#CC1=C(N)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1	ZINC000013121706	264021668	/nfs/dbraw/zinc/02/16/68/264021668.db2.gz	DFYFZIWGYVYMMC-HNNXBMFYSA-N	0	0	305.316	2.884	50	50	aggregator	DFGARN
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000012428889	264022168	/nfs/dbraw/zinc/02/21/68/264022168.db2.gz	UEOKKNWUTCMBLK-HNNXBMFYSA-N	0	0	309.281	2.519	50	50	biogenic,in-vitro	DFGARN
N#Cc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1	ZINC000000486438	264024465	/nfs/dbraw/zinc/02/44/65/264024465.db2.gz	OUWITZVDIATKDX-VXLYETTFSA-N	0	0	313.744	2.741	50	50		DFGARN
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)NC[C@H]1CCCO1	ZINC000098013307	264901231	/nfs/dbraw/zinc/90/12/31/264901231.db2.gz	MYSOEFJFGOJBNS-CEFACKQISA-N	0	0	314.316	2.774	50	50		DFGARN
CC(=NNC(=O)NC(C)C)c1ccc(Br)s1	ZINC000254871833	427224901	/nfs/dbraw/zinc/22/49/01/427224901.db2.gz	BXGJVVLJAHONHI-UHFFFAOYSA-N	0	0	304.213	2.942	50	50		DFGARN
CC(=O)[C@@H]1CC(=NNC(N)=O)[C@H](C)[C@@H](Cc2ccccc2)C1	ZINC000004266544	398348479	/nfs/dbraw/zinc/34/84/79/398348479.db2.gz	BHPBRBNOQRVGTP-UGFHNGPFSA-N	0	0	301.390	2.505	50	50		DFGARN
N#Cc1ccccc1OCC(=O)NN=C1CCCc2ccccc21	ZINC000008345974	398372333	/nfs/dbraw/zinc/37/23/33/398372333.db2.gz	SOZJELATSNOEFA-UHFFFAOYSA-N	0	0	319.364	2.794	50	50		DFGARN
C[C@H](Oc1ccc(C#N)cc1)C(=O)NN=Cc1cccc(F)c1	ZINC000245283952	398381943	/nfs/dbraw/zinc/38/19/43/398381943.db2.gz	PEKCSSBOFRGIQY-LBPRGKRZSA-N	0	0	311.316	2.615	50	50		DFGARN
CSC1=NC=C(C#N)C2=N[C@H](c3ccc(Cl)cc3)NN21	ZINC000000167994	263617661	/nfs/dbraw/zinc/61/76/61/263617661.db2.gz	MIHZRRJYOYOPOL-NSHDSACASA-N	0	0	303.778	2.697	50	50		DFGARN
C=CCNC(=O)/C(C#N)=C\c1cc(Cl)c(OCC)c(OC)c1	ZINC000013865292	263969472	/nfs/dbraw/zinc/96/94/72/263969472.db2.gz	XWLUDWGRJMGRPQ-GHXNOFRVSA-N	0	0	320.776	2.956	50	50		DFGARN
CCCc1[nH]nc2c1[C@@H](c1ccc(C)s1)C(C#N)=C(N)O2	ZINC000009271154	263978526	/nfs/dbraw/zinc/97/85/26/263978526.db2.gz	FDIVQFHYVIYOHC-GFCCVEGCSA-N	0	0	300.387	2.950	50	50		DFGARN
COC(=O)c1ccc(NC=C(C#N)C(=O)Nc2ccccc2)cc1	ZINC000057413980	263994391	/nfs/dbraw/zinc/99/43/91/263994391.db2.gz	OHTIDXVDCBQQRX-WYMLVPIESA-N	0	0	321.336	2.931	50	50		DFGARN
COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)ccc1O	ZINC000003100935	263999828	/nfs/dbraw/zinc/99/98/28/263999828.db2.gz	CSLXBXLQRSQOFP-KRWDZBQOSA-N	0	0	310.353	2.892	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1O	ZINC000003376058	264000700	/nfs/dbraw/zinc/00/07/00/264000700.db2.gz	ZSGCSMZNTOVJQR-LFIBNONCSA-N	0	0	322.364	2.667	50	50		DFGARN
COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)OC(N)=C1C#N	ZINC000003998301	264003548	/nfs/dbraw/zinc/00/35/48/264003548.db2.gz	PKDGUQTVEJBFLT-CYBMUJFWSA-N	0	0	324.384	2.934	50	50		DFGARN
Cc1ccc([C@@H]2c3c(cc(C)n(C)c3=O)OC(N)=C2C#N)cc1C	ZINC000020086826	264010593	/nfs/dbraw/zinc/01/05/93/264010593.db2.gz	DJPXXPFBYHWCAC-INIZCTEOSA-N	0	0	321.380	2.529	50	50		DFGARN
Cc1ccc([C@H]2c3c(c4ccccc4oc3=O)OC(N)=C2C#N)o1	ZINC000000061415	264010858	/nfs/dbraw/zinc/01/08/58/264010858.db2.gz	VECGPYYDRAAGSV-AWEZNQCLSA-N	0	0	320.304	2.913	50	50	biogenic,in-vitro	DFGARN
Cc1ccccc1N1C(=S)C(C#N)C(=O)N[C@@H]1c1ccco1	ZINC000004116945	264012361	/nfs/dbraw/zinc/01/23/61/264012361.db2.gz	VLIIQFSOLGSFLT-AWEZNQCLSA-N	0	0	311.366	2.888	50	50		DFGARN
Cc1[nH]nc2c1[C@@H](c1c(C)[nH]c3ccccc31)C(C#N)=C(N)O2	ZINC000005818108	264012755	/nfs/dbraw/zinc/01/27/55/264012755.db2.gz	UHCCMMAQORUEEE-OAHLLOKOSA-N	0	0	305.341	2.726	50	50		DFGARN
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCCO1	ZINC000033280082	264016166	/nfs/dbraw/zinc/01/61/66/264016166.db2.gz	RMFHJEFYUHZBKF-YRBHFNIASA-N	0	0	324.302	2.908	50	50		DFGARN
N#C/C(=C\c1cccc(OCC(N)=O)c1)c1ccc([N+](=O)[O-])cc1	ZINC000000610028	264018252	/nfs/dbraw/zinc/01/82/52/264018252.db2.gz	YPVZMXFXNAIWLY-RIYZIHGNSA-N	0	0	323.308	2.523	50	50		DFGARN
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1	ZINC000003308586	264018532	/nfs/dbraw/zinc/01/85/32/264018532.db2.gz	CSKUZSNPFFRLOP-OQLLNIDSSA-N	0	0	307.309	2.818	50	50		DFGARN
N#C/C(=C\c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000000609340	264019133	/nfs/dbraw/zinc/01/91/33/264019133.db2.gz	OHUMZLNSWUXUSB-XNTDXEJSSA-N	0	0	314.322	2.933	50	50		DFGARN
N#C/C(=C\c1nn(-c2ccccc2)c(N)c1C#N)c1ccco1	ZINC000004321994	264019600	/nfs/dbraw/zinc/01/96/00/264019600.db2.gz	YFOKYKOXQRCDFV-FMIVXFBMSA-N	0	0	301.309	2.983	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@@H]2CSCC=C12	ZINC000002185026	264021537	/nfs/dbraw/zinc/02/15/37/264021537.db2.gz	CCKWFVSTTBMJRJ-OCCSQVGLSA-N	0	0	324.434	2.905	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1c1ccco1	ZINC000004014766	264021725	/nfs/dbraw/zinc/02/17/25/264021725.db2.gz	QWWLKDHKBJHNSI-NSHDSACASA-N	0	0	310.338	2.949	50	50		DFGARN
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1F	ZINC000000062999	264021750	/nfs/dbraw/zinc/02/17/50/264021750.db2.gz	FRKAVBOKWQACSY-AWEZNQCLSA-N	0	0	302.280	2.780	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@@H]1c1cccc(F)c1	ZINC000020086159	264022518	/nfs/dbraw/zinc/02/25/18/264022518.db2.gz	SACRIWJKASNMNG-OAHLLOKOSA-N	0	0	305.316	2.993	50	50		DFGARN
N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CCl)CCCC2	ZINC000032627576	264023781	/nfs/dbraw/zinc/02/37/81/264023781.db2.gz	NRUFLRSCJADFRI-NSHDSACASA-N	0	0	321.808	2.595	50	50		DFGARN
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(F)c1	ZINC000000564304	264024841	/nfs/dbraw/zinc/02/48/41/264024841.db2.gz	OXWKWNYLZDCULW-UFWORHAWSA-N	0	0	317.707	2.820	50	50		DFGARN
CCCOC(=O)c1ccc(NC(=O)N2CC=C(C#N)CC2)cc1	ZINC000096004110	264898888	/nfs/dbraw/zinc/89/88/88/264898888.db2.gz	IFQKGQHQANTCAN-UHFFFAOYSA-N	0	0	313.357	2.941	50	50		DFGARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C(C#N)=C(N)O1	ZINC000000077703	263616799	/nfs/dbraw/zinc/61/67/99/263616799.db2.gz	UWKNUGVJDFDJHW-HNNXBMFYSA-N	0	0	316.332	2.859	50	50		DFGARN
CCOC(=O)/C(C#N)=C1/Sc2ccccc2N1CCS	ZINC000000405812	263620149	/nfs/dbraw/zinc/62/01/49/263620149.db2.gz	QDAZFOZMNYKQKM-JLHYYAGUSA-N	0	0	306.412	2.827	50	50		DFGARN
C=CCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1	ZINC000008996107	263970681	/nfs/dbraw/zinc/97/06/81/263970681.db2.gz	QZCPSVUHENGULI-CYBMUJFWSA-N	0	0	300.383	2.953	50	50		DFGARN
CCc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	ZINC000004812828	263988224	/nfs/dbraw/zinc/98/82/24/263988224.db2.gz	RMLPERGEBFIADD-LBPRGKRZSA-N	0	0	300.749	2.844	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)N2CCCCC2)cc1OC	ZINC000002744429	264000832	/nfs/dbraw/zinc/00/08/32/264000832.db2.gz	PADWEWGBBUXIRV-GXDHUFHOSA-N	0	0	300.358	2.623	50	50		DFGARN
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	ZINC000004590282	264002347	/nfs/dbraw/zinc/00/23/47/264002347.db2.gz	MPDYZUCGQGYIHJ-WEKMIXOTSA-N	0	0	320.776	2.551	50	50		DFGARN
COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2C#N)c1	ZINC000000536398	264002380	/nfs/dbraw/zinc/00/23/80/264002380.db2.gz	HLMMNMWRSKJKFV-RIYZIHGNSA-N	0	0	319.320	2.818	50	50		DFGARN
COc1cccc([C@@H]2c3ccc(OC)cc3OC(N)=C2C#N)c1	ZINC000034004523	264004412	/nfs/dbraw/zinc/00/44/12/264004412.db2.gz	WKLKYONGSSJYLW-QGZVFWFLSA-N	0	0	308.337	2.922	50	50		DFGARN
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3ccco3)ccc2O1	ZINC000002226586	264006236	/nfs/dbraw/zinc/00/62/36/264006236.db2.gz	URYHBPYSHWQXKW-KMHUVPDISA-N	0	0	308.337	2.826	50	50		DFGARN
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc2c(c1)CCC2	ZINC000007918714	264007240	/nfs/dbraw/zinc/00/72/40/264007240.db2.gz	RVLKRUSAWMRLBZ-RQZCQDPDSA-N	0	0	305.381	2.975	50	50		DFGARN
Cc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	ZINC000001480515	264008290	/nfs/dbraw/zinc/00/82/90/264008290.db2.gz	CECDRZJDWHHSRQ-CYBMUJFWSA-N	0	0	313.744	2.555	50	50		DFGARN
Cc1[nH]nc2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2	ZINC000006812813	264012254	/nfs/dbraw/zinc/01/22/54/264012254.db2.gz	ZHAUYBPUIRSSKO-HNNXBMFYSA-N	0	0	310.357	2.724	50	50		DFGARN
Cc1[nH]nc2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	ZINC000032506727	264012281	/nfs/dbraw/zinc/01/22/81/264012281.db2.gz	NUYKIYRBUGLBSQ-NSHDSACASA-N	0	0	304.712	2.729	50	50		DFGARN
Cc1cccc(OCCOc2ccc(/C=C(\C#N)C(N)=O)cc2)c1	ZINC000004508510	264012806	/nfs/dbraw/zinc/01/28/06/264012806.db2.gz	RIKABGCCBZWSFI-FOWTUZBSSA-N	0	0	322.364	2.845	50	50		DFGARN
N#C/C(=C\c1cccc(OCCOc2ccccc2)c1)C(N)=O	ZINC000009434800	264018259	/nfs/dbraw/zinc/01/82/59/264018259.db2.gz	VVRCBMLVOYYVIL-RVDMUPIBSA-N	0	0	308.337	2.537	50	50		DFGARN
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004175591	264018472	/nfs/dbraw/zinc/01/84/72/264018472.db2.gz	QFLXHXVRNKVKBH-FMIVXFBMSA-N	0	0	309.281	2.846	50	50		DFGARN
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2	ZINC000013109981	264019187	/nfs/dbraw/zinc/01/91/87/264019187.db2.gz	RMQNQDLBZOPXTA-UKTHLTGXSA-N	0	0	309.329	2.977	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2[C@H]1c1ccsc1	ZINC000000620208	264021473	/nfs/dbraw/zinc/02/14/73/264021473.db2.gz	ZNONVXPGDQFUBT-LBPRGKRZSA-N	0	0	321.365	2.751	50	50		DFGARN
N#CC1=C(N)Oc2nc(-c3ccccc3)[nH]c2[C@H]1c1cccnc1	ZINC000005066832	264021645	/nfs/dbraw/zinc/02/16/45/264021645.db2.gz	JGMLGMGREXIXFV-AWEZNQCLSA-N	0	0	315.336	2.690	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@@H]1c1cccc(O)c1	ZINC000020086151	264022667	/nfs/dbraw/zinc/02/26/67/264022667.db2.gz	DIWZIDHFAAKVMM-OAHLLOKOSA-N	0	0	303.325	2.560	50	50		DFGARN
CSc1ccc(Cl)c(C(=O)OCC(=O)C(C#N)=C(C)N)c1	ZINC000006312143	269997170	/nfs/dbraw/zinc/99/71/70/269997170.db2.gz	NZACKKKJPUVGQT-DHZHZOJOSA-N	0	0	324.789	2.544	50	50		DFGARN
CC(=O)NN=Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl	ZINC000254863198	427224636	/nfs/dbraw/zinc/22/46/36/427224636.db2.gz	GKJJPMDBOLQQQI-UHFFFAOYSA-N	0	0	308.744	2.502	50	50		DFGARN
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NN=Cc1ccccc1	ZINC000005633349	398352252	/nfs/dbraw/zinc/35/22/52/398352252.db2.gz	RFMZNTRPHGLEQN-KRWDZBQOSA-N	0	0	323.396	2.591	50	50		DFGARN
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc2c(c1)OCO2	ZINC000008843218	398374343	/nfs/dbraw/zinc/37/43/43/398374343.db2.gz	WALWJWAAPCIREK-UHFFFAOYSA-N	0	0	321.336	2.589	50	50		DFGARN
CCOC(=O)c1c(C)[nH]c(C(=O)NN=Cc2ccccc2)c1C	ZINC000009494882	398374654	/nfs/dbraw/zinc/37/46/54/398374654.db2.gz	QJWDLKSFKVADCR-UHFFFAOYSA-N	0	0	313.357	2.572	50	50		DFGARN
Cc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2cccnc2)c1	ZINC000015985785	398398329	/nfs/dbraw/zinc/39/83/29/398398329.db2.gz	OJGFJYDPNXYJKR-UHFFFAOYSA-N	0	0	324.384	2.567	50	50		DFGARN
COc1ccccc1C=NNC(=O)c1c(C)nc2ccc(C)cn21	ZINC000033286530	398545132	/nfs/dbraw/zinc/54/51/32/398545132.db2.gz	LCZUIUVEOIDQAO-UHFFFAOYSA-N	0	0	322.368	2.724	50	50		DFGARN
COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1[N+](=O)[O-]	ZINC000048545195	398785759	/nfs/dbraw/zinc/78/57/59/398785759.db2.gz	IECOHTQMOMQLQH-UHFFFAOYSA-N	0	0	310.313	2.885	50	50		DFGARN
N#CC(=CNc1ccc(Cl)cc1)S(=O)(=O)c1ccccn1	ZINC000000095307	263616245	/nfs/dbraw/zinc/61/62/45/263616245.db2.gz	KWHUEHZGZLLSLW-JLHYYAGUSA-N	0	0	319.773	2.986	50	50		DFGARN
CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	ZINC000000096416	263616448	/nfs/dbraw/zinc/61/64/48/263616448.db2.gz	UGPRUSFGQZYOFT-INIZCTEOSA-N	0	0	310.353	2.900	50	50		DFGARN
CC1=C(C#N)[C@@H](/C=N/OCc2ccc(Cl)cc2)CC(=O)N1	ZINC000005305807	263974162	/nfs/dbraw/zinc/97/41/62/263974162.db2.gz	SOGBADBYQLNDFU-VGTRTNLYSA-N	0	0	303.749	2.776	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1O	ZINC000033326600	264000528	/nfs/dbraw/zinc/00/05/28/264000528.db2.gz	PEKZSSLKGBZMRS-LCYFTJDESA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1	ZINC000033324115	264003839	/nfs/dbraw/zinc/00/38/39/264003839.db2.gz	LPRNSXCFKIPQAJ-LCYFTJDESA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1	ZINC000003308088	264004033	/nfs/dbraw/zinc/00/40/33/264004033.db2.gz	HEZYXUXOJBGYLJ-GHRIWEEISA-N	0	0	306.365	2.961	50	50		DFGARN
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1	ZINC000005506061	264005841	/nfs/dbraw/zinc/00/58/41/264005841.db2.gz	AEJJEOHHXUPABQ-IBCIGOPUSA-N	0	0	300.358	2.700	50	50		DFGARN
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1	ZINC000005506064	264006349	/nfs/dbraw/zinc/00/63/49/264006349.db2.gz	AEJJEOHHXUPABQ-DEXZEKDLSA-N	0	0	300.358	2.700	50	50		DFGARN
Cc1[nH]nc2c1[C@H](c1c(C)[nH]c3ccccc31)C(C#N)=C(N)O2	ZINC000005818109	264012252	/nfs/dbraw/zinc/01/22/52/264012252.db2.gz	UHCCMMAQORUEEE-HNNXBMFYSA-N	0	0	305.341	2.726	50	50		DFGARN
Cc1nn(C)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	ZINC000017030624	264013848	/nfs/dbraw/zinc/01/38/48/264013848.db2.gz	AWIBOJARXXQUDB-YRNVUSSQSA-N	0	0	300.749	2.928	50	50		DFGARN
Cc1[nH]nc2c1[C@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2	ZINC000018137332	264013992	/nfs/dbraw/zinc/01/39/92/264013992.db2.gz	QPOCMCQHZLNBAL-GFCCVEGCSA-N	0	0	318.283	2.538	50	50		DFGARN
N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000033377066	264015378	/nfs/dbraw/zinc/01/53/78/264015378.db2.gz	QCXRPMYYJSDBPQ-JYRVWZFOSA-N	0	0	322.320	2.709	50	50		DFGARN
N#C/C(=C/c1nn(-c2ccccc2)c(N)c1C#N)c1ccco1	ZINC000033908870	264017265	/nfs/dbraw/zinc/01/72/65/264017265.db2.gz	YFOKYKOXQRCDFV-XFXZXTDPSA-N	0	0	301.309	2.983	50	50		DFGARN
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCCO1	ZINC000000802022	264018094	/nfs/dbraw/zinc/01/80/94/264018094.db2.gz	GCEHAGRESJNFQR-BCNIOPEESA-N	0	0	324.302	2.908	50	50		DFGARN
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC(N)=O	ZINC000006835543	264018244	/nfs/dbraw/zinc/01/82/44/264018244.db2.gz	QSAHXWODHBNQGC-UKTHLTGXSA-N	0	0	307.309	2.581	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1c1ccco1	ZINC000004014765	264021610	/nfs/dbraw/zinc/02/16/10/264021610.db2.gz	QWWLKDHKBJHNSI-LLVKDONJSA-N	0	0	310.338	2.949	50	50		DFGARN
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(F)ccc1F	ZINC000065362313	264022440	/nfs/dbraw/zinc/02/24/40/264022440.db2.gz	USFBOVHLQWGLEF-OAHLLOKOSA-N	0	0	300.264	2.889	50	50		DFGARN
N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(C(F)(F)F)c1	ZINC000000495703	264022575	/nfs/dbraw/zinc/02/25/75/264022575.db2.gz	ZBXUNOIEPSKOFK-UHFFFAOYSA-N	0	0	322.315	2.924	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@H]1c1cccc(F)c1	ZINC000020086161	264022711	/nfs/dbraw/zinc/02/27/11/264022711.db2.gz	SACRIWJKASNMNG-HNNXBMFYSA-N	0	0	305.316	2.993	50	50		DFGARN
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCn3cccc32)c1C	ZINC000252474834	427175493	/nfs/dbraw/zinc/17/54/93/427175493.db2.gz	NAKGBMJIVPVPCM-AWEZNQCLSA-N	0	0	311.385	2.796	50	50		DFGARN
O=C(N/N=C/c1ccc(O)cc1)Nc1cccc2nsnc21	ZINC000000280804	560177804	/nfs/dbraw/zinc/17/78/04/560177804.db2.gz	QRTYYEYYXURINZ-OVCLIPMQSA-N	0	0	313.342	2.553	50	50	in-vitro	DFGARN
CCCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C	ZINC000002172599	398346841	/nfs/dbraw/zinc/34/68/41/398346841.db2.gz	RVWKRSCPIFYAME-BIGNPOOSSA-N	0	0	316.239	2.672	50	50		DFGARN
O=C(NN=Cc1ccc(Br)cc1)c1ccc(O)cc1	ZINC000013477439	398388174	/nfs/dbraw/zinc/38/81/74/398388174.db2.gz	NTCZEIJENYPNKE-UHFFFAOYSA-N	0	0	319.158	2.919	50	50		DFGARN
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(F)ccc1F	ZINC000000084201	263616761	/nfs/dbraw/zinc/61/67/61/263616761.db2.gz	BMTCSDBHFWSQTF-AWEZNQCLSA-N	0	0	320.295	2.610	50	50		DFGARN
Cc1ccc(C)c([C@H]2c3c(cc(C)oc3=O)OC(N)=C2C#N)c1	ZINC000000292266	263620140	/nfs/dbraw/zinc/62/01/40/263620140.db2.gz	AVVIRUYYAIRXNE-OAHLLOKOSA-N	0	0	308.337	2.783	50	50		DFGARN
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(N)=O	ZINC000000305027	263620352	/nfs/dbraw/zinc/62/03/52/263620352.db2.gz	DNSXBWXXEDPVLN-VMPITWQZSA-N	0	0	317.688	2.900	50	50		DFGARN
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1	ZINC000004492170	263970447	/nfs/dbraw/zinc/97/04/47/263970447.db2.gz	NMSAAGNZNBOKAB-MRXNPFEDSA-N	0	0	310.353	2.806	50	50		DFGARN
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2	ZINC000004597235	263971640	/nfs/dbraw/zinc/97/16/40/263971640.db2.gz	DRKUIIKHUAINHR-LBPRGKRZSA-N	0	0	310.357	2.631	50	50		DFGARN
CCSC1=C(C#N)[C@@H](c2cc(OC)ccc2OC)CC(=O)N1	ZINC000009110794	263987376	/nfs/dbraw/zinc/98/73/76/263987376.db2.gz	ILNXFDLEUPEQSU-LLVKDONJSA-N	0	0	318.398	2.796	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)c(OC)c1	ZINC000007066371	264000990	/nfs/dbraw/zinc/00/09/90/264000990.db2.gz	LKZXRCHWZDEVQL-YRNVUSSQSA-N	0	0	315.354	2.706	50	50		DFGARN
COc1ccc([C@@H]2c3c(C)[nH]nc3OC(N)=C2C#N)cc1Cl	ZINC000000469677	264003279	/nfs/dbraw/zinc/00/32/79/264003279.db2.gz	OQXBFSKLWDUCNM-ZDUSSCGKSA-N	0	0	316.748	2.598	50	50		DFGARN
Cc1cc(NNC(=O)NC2CCCCC2)nc(Cl)c1C#N	ZINC000012446180	264008475	/nfs/dbraw/zinc/00/84/75/264008475.db2.gz	CBOCSRCVQOSDDA-UHFFFAOYSA-N	0	0	307.785	2.874	50	50		DFGARN
Cc1[nH]nc2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	ZINC000032506725	264012619	/nfs/dbraw/zinc/01/26/19/264012619.db2.gz	NUYKIYRBUGLBSQ-LLVKDONJSA-N	0	0	304.712	2.729	50	50		DFGARN
Cc1nc(N2CCOCC2)sc1/C=C(/C#N)c1ccccn1	ZINC000065593206	264013704	/nfs/dbraw/zinc/01/37/04/264013704.db2.gz	GWLJNLNAHYAMSJ-RAXLEYEMSA-N	0	0	312.398	2.747	50	50		DFGARN
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)NCc1ccco1	ZINC000000582218	264014372	/nfs/dbraw/zinc/01/43/72/264014372.db2.gz	ODDBKIMVLPVUIJ-DHDCSXOGSA-N	0	0	306.321	2.822	50	50		DFGARN
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1	ZINC000033280083	264015682	/nfs/dbraw/zinc/01/56/82/264015682.db2.gz	RMFHJEFYUHZBKF-VDBIKXPHSA-N	0	0	324.302	2.908	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1	ZINC000005946982	264015830	/nfs/dbraw/zinc/01/58/30/264015830.db2.gz	MMEFDZQZCSTJGC-NVNXTCNLSA-N	0	0	306.321	2.639	50	50		DFGARN
N#CC(=CNc1ccccc1Cl)S(=O)(=O)c1ccccn1	ZINC000006058856	264017290	/nfs/dbraw/zinc/01/72/90/264017290.db2.gz	QAJXSSQETDQNDS-ZHACJKMWSA-N	0	0	319.773	2.986	50	50		DFGARN
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1	ZINC000000037472	264017818	/nfs/dbraw/zinc/01/78/18/264017818.db2.gz	RMFHJEFYUHZBKF-GMMCIKNFSA-N	0	0	324.302	2.908	50	50		DFGARN
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1	ZINC000002557957	264017956	/nfs/dbraw/zinc/01/79/56/264017956.db2.gz	GSQOBTOAOGXIFL-LFIBNONCSA-N	0	0	322.364	2.754	50	50	aggregator,in-vitro	DFGARN
N#C/C(=C\c1cccc(OC(=O)c2ccco2)c1)C(=O)NC1CC1	ZINC000017055946	264018210	/nfs/dbraw/zinc/01/82/10/264018210.db2.gz	XALNHBYHEODHFB-UKTHLTGXSA-N	0	0	322.320	2.684	50	50		DFGARN
N#C/C(=C\c1cccn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1	ZINC000000520964	264019629	/nfs/dbraw/zinc/01/96/29/264019629.db2.gz	MHUYQTVJOWZLFO-XOVFHRFOSA-N	0	0	321.380	2.679	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@@H]2CSCC=C12	ZINC000023410402	264019858	/nfs/dbraw/zinc/01/98/58/264019858.db2.gz	RXTFAAXINIBMQQ-CVEARBPZSA-N	0	0	318.405	2.843	50	50		DFGARN
N#CC(C#N)=CNc1ccc(O)c2c1C(=O)c1ccccc1C2=O	ZINC000005224782	264020406	/nfs/dbraw/zinc/02/04/06/264020406.db2.gz	VLOMRPZKQSSXRK-UHFFFAOYSA-N	0	0	315.288	2.511	50	50		DFGARN
N#CC1=C(N)N(c2ccccc2)[C@H](c2ccccc2)C1(C#N)C#N	ZINC000000521212	264021212	/nfs/dbraw/zinc/02/12/12/264021212.db2.gz	VPVNUZANVWHEPW-QGZVFWFLSA-N	0	0	311.348	2.975	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1c1ccncc1	ZINC000013151294	264021646	/nfs/dbraw/zinc/02/16/46/264021646.db2.gz	CBTGLXLKNNEDIS-GFCCVEGCSA-N	0	0	321.365	2.751	50	50		DFGARN
N#CC1C(=O)N[C@H](c2ccco2)N(c2ccc(F)cc2)C1=S	ZINC000004116943	264022188	/nfs/dbraw/zinc/02/21/88/264022188.db2.gz	JCUQLBFYUSWHNG-ZDUSSCGKSA-N	0	0	315.329	2.719	50	50		DFGARN
N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1	ZINC000000051023	269997178	/nfs/dbraw/zinc/99/71/78/269997178.db2.gz	VWYRCHJRJHEIGD-VXLYETTFSA-N	0	0	313.744	2.741	50	50		DFGARN
CCOC(=O)/C(C#N)=C\NN=C1c2ccccc2-c2ccccc21	ZINC000220649117	266254085	/nfs/dbraw/zinc/25/40/85/266254085.db2.gz	VPJRJGUZKFFQPT-SEYXRHQNSA-N	0	0	317.348	2.980	50	50		DFGARN
CC1(C)C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)C(C)(C)N1O	ZINC000002539314	398346978	/nfs/dbraw/zinc/34/69/78/398346978.db2.gz	CGBWAJDUVPGBCH-LBPRGKRZSA-N	0	0	308.334	2.769	50	50		DFGARN
Fc1cc(Cl)cc(-n2cc(CCBr)nn2)c1	ZINC000230059385	542891818	/nfs/dbraw/zinc/89/18/18/542891818.db2.gz	XSBCQWFIMWFERO-UHFFFAOYSA-N	0	0	304.550	2.997	50	50		DFGARN
CCOC(=O)C(C#N)=CN=c1[nH]c2c(cccc2OC)s1	ZINC000000167395	263617816	/nfs/dbraw/zinc/61/78/16/263617816.db2.gz	YDZFHIHKWQSXTE-CMDGGOBGSA-N	0	0	303.343	2.687	50	50		DFGARN
CCOC(=O)/C(C#N)=C(\C)c1cc(OC)c(OC)c(OC)c1	ZINC000000126677	263618027	/nfs/dbraw/zinc/61/80/27/263618027.db2.gz	FJIZQMBIQZPAKJ-ZRDIBKRKSA-N	0	0	305.330	2.573	50	50		DFGARN
CCOc1ccc(C=C(C#N)c2[nH]nc(N)c2C#N)cc1OCC	ZINC000004067323	263987292	/nfs/dbraw/zinc/98/72/92/263987292.db2.gz	VNTIDJASRNYHQB-KPKJPENVSA-N	0	0	323.356	2.725	50	50		DFGARN
CCc1[nH]nc2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	ZINC000005095150	263988325	/nfs/dbraw/zinc/98/83/25/263988325.db2.gz	BEKLSNJNLLWANK-LLVKDONJSA-N	0	0	318.739	2.983	50	50		DFGARN
COCc1[nH]nc2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	ZINC000004555653	263996953	/nfs/dbraw/zinc/99/69/53/263996953.db2.gz	INLGIXHZRUIMRA-OAHLLOKOSA-N	0	0	324.384	2.898	50	50		DFGARN
COc1cc(C(=O)NC2=C(C#N)CCC2)ccc1OC(F)F	ZINC000006490562	263999960	/nfs/dbraw/zinc/99/99/60/263999960.db2.gz	BHAMUJOVBYKIFP-UHFFFAOYSA-N	0	0	308.284	2.988	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC	ZINC000028355635	264000627	/nfs/dbraw/zinc/00/06/27/264000627.db2.gz	NDLRNGGDVAUDEG-MHWRWJLKSA-N	0	0	322.364	2.927	50	50		DFGARN
COc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1	ZINC000038487968	264001605	/nfs/dbraw/zinc/00/16/05/264001605.db2.gz	QBOOSNQMUDNCLN-UHFFFAOYSA-N	0	0	312.350	2.986	50	50		DFGARN
COc1cccc(NC=C(C#N)C(=O)NCc2ccccc2)c1	ZINC000005021740	264003424	/nfs/dbraw/zinc/00/34/24/264003424.db2.gz	ODFRXXFDVIWNIT-SQFISAMPSA-N	0	0	307.353	2.831	50	50		DFGARN
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1	ZINC000004508569	264015418	/nfs/dbraw/zinc/01/54/18/264015418.db2.gz	FZYYSRRYVZNCSI-GDNBJRDFSA-N	0	0	307.309	2.818	50	50		DFGARN
N#CC(=Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(O)cc1	ZINC000061718880	264016766	/nfs/dbraw/zinc/01/67/66/264016766.db2.gz	SMIHNZRSXBXFST-DHZHZOJOSA-N	0	0	304.309	2.814	50	50		DFGARN
N#CC(=Cc1c[nH]c2ncccc12)C(=O)NCCc1ccccc1	ZINC000040288052	264017280	/nfs/dbraw/zinc/01/72/80/264017280.db2.gz	LQJRHNZEOCPNPZ-RVDMUPIBSA-N	0	0	316.364	2.829	50	50		DFGARN
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(N)=O	ZINC000007154591	264019543	/nfs/dbraw/zinc/01/95/43/264019543.db2.gz	VEXOKCUXYQXHKP-FMIVXFBMSA-N	0	0	320.377	2.993	50	50		DFGARN
N#CC(/C=C1/Nc2ccccc2C1=O)=C(\N)NC1CCCCC1	ZINC000017299580	264020251	/nfs/dbraw/zinc/02/02/51/264020251.db2.gz	MCLAXLNSJMYDDV-VKXALQBDSA-N	0	0	308.385	2.795	50	50		DFGARN
N#CC(C(=O)COC(=O)c1ccccc1)=C1Nc2ccccc2N1	ZINC000002657714	264020653	/nfs/dbraw/zinc/02/06/53/264020653.db2.gz	ZJADKPXDJALBPW-UHFFFAOYSA-N	0	0	319.320	2.685	50	50		DFGARN
N#CC(/C=C1\Nc2ccccc2C1=O)=C(\N)NCc1ccccc1	ZINC000059677499	264020674	/nfs/dbraw/zinc/02/06/74/264020674.db2.gz	QDPIYOWKPUENIF-UITBBBLRSA-N	0	0	316.364	2.662	50	50		DFGARN
Cc1ccc(OCC(=O)NN=C2CCOc3c(C)cccc32)cc1	ZINC000013133065	425748281	/nfs/dbraw/zinc/74/82/81/425748281.db2.gz	PPBDDNUIOPDBCR-UHFFFAOYSA-N	0	0	324.380	2.985	50	50		DFGARN
COc1ccc(C=NNC(=O)CCn2cnc3ccccc32)cc1	ZINC000013109188	425748653	/nfs/dbraw/zinc/74/86/53/425748653.db2.gz	NEXBEGNBBBAVQC-UHFFFAOYSA-N	0	0	322.368	2.585	50	50		DFGARN
Cc1cccc(OCC(=O)NN=Cc2ccc(N(C)C)cc2)c1	ZINC000013114988	425748860	/nfs/dbraw/zinc/74/88/60/425748860.db2.gz	PFVRSUIRLIOBGD-UHFFFAOYSA-N	0	0	311.385	2.590	50	50		DFGARN
CC(C)c1ccc(C=NNC(=O)c2c(Cl)cnn2C)cc1	ZINC000013110519	425749169	/nfs/dbraw/zinc/74/91/69/425749169.db2.gz	UHDOSOWVAOKUIS-UHFFFAOYSA-N	0	0	304.781	2.961	50	50		DFGARN
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)C1CC1	ZINC000254480031	427220054	/nfs/dbraw/zinc/22/00/54/427220054.db2.gz	DQAQRHRJXXFGRU-UHFFFAOYSA-N	0	0	316.792	2.753	50	50		DFGARN
N#CC(=CNc1ccc(Cl)cn1)S(=O)(=O)c1ccccc1	ZINC000000096427	263616307	/nfs/dbraw/zinc/61/63/07/263616307.db2.gz	JUYYLGBVCWJQLK-JLHYYAGUSA-N	0	0	319.773	2.986	50	50		DFGARN
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	ZINC000000081842	263616970	/nfs/dbraw/zinc/61/69/70/263616970.db2.gz	BARCBMOFNAAWDY-CYBMUJFWSA-N	0	0	304.733	2.595	50	50		DFGARN
Cc1ccc([C@@H]2c3cc4c(cc3OC(N)=C2C#N)OCO4)cc1	ZINC000000203553	263617865	/nfs/dbraw/zinc/61/78/65/263617865.db2.gz	OQZGUHBIQCWIPP-QGZVFWFLSA-N	0	0	306.321	2.942	50	50		DFGARN
CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1	ZINC000004652844	263976032	/nfs/dbraw/zinc/97/60/32/263976032.db2.gz	KSQAAPMKAWNSCM-CYBMUJFWSA-N	0	0	318.760	2.985	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC	ZINC000007166859	264000410	/nfs/dbraw/zinc/00/04/10/264000410.db2.gz	UZUAVWAWMOKXFO-YRNVUSSQSA-N	0	0	315.354	2.706	50	50		DFGARN
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	ZINC000004590279	264001470	/nfs/dbraw/zinc/00/14/70/264001470.db2.gz	MPDYZUCGQGYIHJ-GMMCIKNFSA-N	0	0	320.776	2.551	50	50		DFGARN
COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2OC)c1	ZINC000000549168	264001938	/nfs/dbraw/zinc/00/19/38/264001938.db2.gz	UNEQMMSBCWWDKS-UKTHLTGXSA-N	0	0	324.336	2.955	50	50		DFGARN
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(N)=O)o1	ZINC000003187962	264008450	/nfs/dbraw/zinc/00/84/50/264008450.db2.gz	YJSGLCADXSMIDB-UKTHLTGXSA-N	0	0	318.336	2.833	50	50		DFGARN
Cc1[nH]nc2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2	ZINC000006812817	264013339	/nfs/dbraw/zinc/01/33/39/264013339.db2.gz	ZHAUYBPUIRSSKO-OAHLLOKOSA-N	0	0	310.357	2.724	50	50		DFGARN
N#C/C(=C/c1ccccc1Br)C(=O)N1CCCC1	ZINC000033410255	264016268	/nfs/dbraw/zinc/01/62/68/264016268.db2.gz	SCIGQIGBCNVIBQ-XFXZXTDPSA-N	0	0	305.175	2.978	50	50		DFGARN
N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCCC1	ZINC000003328528	264018235	/nfs/dbraw/zinc/01/82/35/264018235.db2.gz	JFXYNTNWTGXTMJ-FMIVXFBMSA-N	0	0	305.175	2.978	50	50		DFGARN
N#C/C(=C\c1cccnc1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000000564224	264019623	/nfs/dbraw/zinc/01/96/23/264019623.db2.gz	LFJWBRRRCFACHI-MHWRWJLKSA-N	0	0	316.364	2.829	50	50		DFGARN
N#CC(/C=C1\Nc2ccccc2C1=O)=C(/N)NCc1ccccc1	ZINC000013551028	264019791	/nfs/dbraw/zinc/01/97/91/264019791.db2.gz	QDPIYOWKPUENIF-BQVKTAIQSA-N	0	0	316.364	2.662	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2CSCC=C12	ZINC000023410395	264020544	/nfs/dbraw/zinc/02/05/44/264020544.db2.gz	RXTFAAXINIBMQQ-JKSUJKDBSA-N	0	0	318.405	2.843	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1c1ccoc1	ZINC000004014716	264021173	/nfs/dbraw/zinc/02/11/73/264021173.db2.gz	NNCIFKNQFUWHCL-NSHDSACASA-N	0	0	310.338	2.949	50	50		DFGARN
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccncc1	ZINC000254828678	427224696	/nfs/dbraw/zinc/22/46/96/427224696.db2.gz	TXHHSQBIZMXBAW-UHFFFAOYSA-N	0	0	324.167	2.918	50	50		DFGARN
COc1ccc([C@@H]2c3ccc(N)cc3OC(N)=C2C#N)cc1OC	ZINC000000196795	263618064	/nfs/dbraw/zinc/61/80/64/263618064.db2.gz	LSEROQGCBKTCNC-QGZVFWFLSA-N	0	0	323.352	2.504	50	50		DFGARN
N#CC1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1cccs1	ZINC000000182732	263618175	/nfs/dbraw/zinc/61/81/75/263618175.db2.gz	VCFWANJYTCYKEC-ZDUSSCGKSA-N	0	0	321.361	2.808	50	50		DFGARN
CCCC1=C(C(=O)OCC)[C@H](c2ccco2)C(C#N)=C(N)O1	ZINC000002205477	263976037	/nfs/dbraw/zinc/97/60/37/263976037.db2.gz	DKXWGEJLERNXJL-ZDUSSCGKSA-N	0	0	302.330	2.705	50	50		DFGARN
CCc1[nH]nc2c1[C@@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2	ZINC000000477828	263987567	/nfs/dbraw/zinc/98/75/67/263987567.db2.gz	YJBMHDFITVFGSG-HNNXBMFYSA-N	0	0	324.384	2.977	50	50		DFGARN
CCc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)s1	ZINC000000043737	263988410	/nfs/dbraw/zinc/98/84/10/263988410.db2.gz	TXCUWKTZYBDCJI-CYBMUJFWSA-N	0	0	304.371	2.565	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1O	ZINC000044028764	264000481	/nfs/dbraw/zinc/00/04/81/264000481.db2.gz	YWHWBDMAWQIGOR-MLPAPPSSSA-N	0	0	323.304	2.919	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)c(OC)c1	ZINC000004551143	264000520	/nfs/dbraw/zinc/00/05/20/264000520.db2.gz	FIRPQQFEVUNSOQ-UKTHLTGXSA-N	0	0	300.358	2.670	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1O	ZINC000044028763	264000994	/nfs/dbraw/zinc/00/09/94/264000994.db2.gz	YWHWBDMAWQIGOR-AWNIVKPZSA-N	0	0	323.304	2.919	50	50		DFGARN
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	ZINC000000451261	264001619	/nfs/dbraw/zinc/00/16/19/264001619.db2.gz	MTZMSQDJKVTRJI-XNTDXEJSSA-N	0	0	308.337	2.624	50	50		DFGARN
COc1ccc([C@H]2c3ccc(N)cc3OC(N)=C2C#N)c(OC)c1	ZINC000002485619	264003301	/nfs/dbraw/zinc/00/33/01/264003301.db2.gz	ROTNFDJJWGEWTH-KRWDZBQOSA-N	0	0	323.352	2.504	50	50		DFGARN
COc1cccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)c1	ZINC000003317096	264004303	/nfs/dbraw/zinc/00/43/03/264004303.db2.gz	NWKNZTPHONDCTG-JXMROGBWSA-N	0	0	313.269	2.742	50	50		DFGARN
C[C@H](Br)C(=O)NC1=C(C#N)[C@H]2CCC[C@H]2S1	ZINC000000547454	264006336	/nfs/dbraw/zinc/00/63/36/264006336.db2.gz	HWZYDWHXBXTAKG-LKEWCRSYSA-N	0	0	301.209	2.537	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1	ZINC000003570391	264016177	/nfs/dbraw/zinc/01/61/77/264016177.db2.gz	JEFDDWNLQLEYIC-UVTDQMKNSA-N	0	0	312.369	2.814	50	50		DFGARN
N#CC(=CNCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000020442180	264016925	/nfs/dbraw/zinc/01/69/25/264016925.db2.gz	YPTURDNVLBKRLX-GXDHUFHOSA-N	0	0	322.773	2.861	50	50		DFGARN
N#CC(=Cc1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC1CC1	ZINC000013111569	264019271	/nfs/dbraw/zinc/01/92/71/264019271.db2.gz	RPFPIMXKLVGQNS-YRNVUSSQSA-N	0	0	312.760	2.916	50	50		DFGARN
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)NC1CCCC1	ZINC000021957379	264019625	/nfs/dbraw/zinc/01/96/25/264019625.db2.gz	FAUYCEIUJQUNKX-LICLKQGHSA-N	0	0	320.396	2.897	50	50		DFGARN
N#CC1=C2CCCC[C@H]2[C@@H](c2cccnc2)C(C#N)(C#N)C1=N	ZINC000019806037	264021748	/nfs/dbraw/zinc/02/17/48/264021748.db2.gz	SKHUSYJUUFUCRA-GDBMZVCRSA-N	0	0	301.353	2.675	50	50		DFGARN
Cc1cc(CNC(=O)/C(C#N)=C/c2ccco2)ccc1N(C)C	ZINC000096298427	264900745	/nfs/dbraw/zinc/90/07/45/264900745.db2.gz	NCFQSDKRYMDIRN-XNTDXEJSSA-N	0	0	309.369	2.877	50	50		DFGARN
C[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccc(N(C)C)cc1	ZINC000006183389	398353296	/nfs/dbraw/zinc/35/32/96/398353296.db2.gz	CEPTYZLDUHLMNU-CQSZACIVSA-N	0	0	311.385	2.670	50	50		DFGARN
C[C@@]12C[C@@H](OC1=O)[C@H](Br)C[C@H]2C(=O)c1ccccc1	ZINC000043762210	398629728	/nfs/dbraw/zinc/62/97/28/398629728.db2.gz	RLHYKMYIDPYLKI-YFCNSXCBSA-N	0	0	323.186	2.975	50	50		DFGARN
CCOc1ccc([C@@H]2c3c(cc(C)oc3=O)OC(N)=C2C#N)cc1	ZINC000000086725	263616486	/nfs/dbraw/zinc/61/64/86/263616486.db2.gz	XJHRHFFURBXLQZ-HNNXBMFYSA-N	0	0	324.336	2.565	50	50		DFGARN
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1	ZINC000000143886	263618031	/nfs/dbraw/zinc/61/80/31/263618031.db2.gz	GEPLIFHQLHTDHG-YRNVUSSQSA-N	0	0	311.168	2.759	50	50		DFGARN
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1F	ZINC000002500877	263970707	/nfs/dbraw/zinc/97/07/07/263970707.db2.gz	AQXBOFITIDKLBX-HNNXBMFYSA-N	0	0	314.316	2.637	50	50		DFGARN
CCSC1=C(C#N)C(=O)N[C@H](c2ccc(O)c(OC)c2)S1	ZINC000006720986	263987089	/nfs/dbraw/zinc/98/70/89/263987089.db2.gz	ZSMJOHJXOUUIRY-ZDUSSCGKSA-N	0	0	322.411	2.751	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1O	ZINC000003570400	264000328	/nfs/dbraw/zinc/00/03/28/264000328.db2.gz	BBAVDLWWKZVIQX-UKTHLTGXSA-N	0	0	300.358	2.757	50	50		DFGARN
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2O)cc1	ZINC000000566309	264002378	/nfs/dbraw/zinc/00/23/78/264002378.db2.gz	KIZRNJHVBQIQEY-XYOKQWHBSA-N	0	0	310.309	2.652	50	50		DFGARN
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)N1CCOCC1	ZINC000033324128	264002505	/nfs/dbraw/zinc/00/25/05/264002505.db2.gz	CKCHIMUDNOLFPI-QINSGFPZSA-N	0	0	322.364	2.614	50	50		DFGARN
Cc1ccc(C)n1/C(C#N)=C(\C#N)NC(=O)C(C)(C)CCl	ZINC000004093041	264009984	/nfs/dbraw/zinc/00/99/84/264009984.db2.gz	IYTWKCYACIBFMQ-OUKQBFOZSA-N	0	0	304.781	2.702	50	50		DFGARN
N#C/C(=C/c1ccc(Br)cc1)C(=O)N1CCCC1	ZINC000033528017	264016174	/nfs/dbraw/zinc/01/61/74/264016174.db2.gz	JFXYNTNWTGXTMJ-XFXZXTDPSA-N	0	0	305.175	2.978	50	50		DFGARN
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000002632320	264018305	/nfs/dbraw/zinc/01/83/05/264018305.db2.gz	QCXRPMYYJSDBPQ-MDWZMJQESA-N	0	0	322.320	2.709	50	50		DFGARN
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1	ZINC000001007868	269997148	/nfs/dbraw/zinc/99/71/48/269997148.db2.gz	DNTGSJJZXMRFAS-CIAFOILYSA-N	0	0	316.320	2.977	50	50		DFGARN
C[C@@H](OC(=O)/C(C#N)=C\c1ccco1)C(=O)N(C)c1ccccc1	ZINC000096508113	264901328	/nfs/dbraw/zinc/90/13/28/264901328.db2.gz	OTFOBRYLCNEKLD-KECPUOCWSA-N	0	0	324.336	2.781	50	50		DFGARN
CCOc1ccc(C=NNC(=O)c2ccc(C)nc2)cc1OC	ZINC000012362795	425723947	/nfs/dbraw/zinc/72/39/47/425723947.db2.gz	OHKCTPGJUMKWNM-UHFFFAOYSA-N	0	0	313.357	2.561	50	50		DFGARN
Cc1cccc(O[C@H](C)C(=O)NN=C2CCn3cccc32)c1C	ZINC000252474835	427177036	/nfs/dbraw/zinc/17/70/36/427177036.db2.gz	NAKGBMJIVPVPCM-CQSZACIVSA-N	0	0	311.385	2.796	50	50		DFGARN
O=C1OC(=O)C(=CNc2cccnc2Cl)c2ccccc21	ZINC000103481674	398684611	/nfs/dbraw/zinc/68/46/11/398684611.db2.gz	XDMJHBOBDLQKJK-DHZHZOJOSA-N	0	0	300.701	2.885	50	50		DFGARN
CCCC1=C(C(=O)OCC)[C@H](c2cccnc2)C(C#N)=C(N)O1	ZINC000000183721	263617706	/nfs/dbraw/zinc/61/77/06/263617706.db2.gz	UGFCVHYLLKFAGX-CQSZACIVSA-N	0	0	313.357	2.507	50	50		DFGARN
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)c(F)c1	ZINC000000293412	263620127	/nfs/dbraw/zinc/62/01/27/263620127.db2.gz	XNYBUQLOTLNRRD-AWEZNQCLSA-N	0	0	302.280	2.780	50	50		DFGARN
N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(Cl)c1	ZINC000000289374	263620429	/nfs/dbraw/zinc/62/04/29/263620429.db2.gz	NNUDWGORRRVRRW-VXLYETTFSA-N	0	0	313.744	2.741	50	50		DFGARN
CCCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N1	ZINC000002478333	263976668	/nfs/dbraw/zinc/97/66/68/263976668.db2.gz	GFHNCVGWDXXYOC-LLVKDONJSA-N	0	0	318.398	2.883	50	50		DFGARN
CCOC(=O)C(C#N)=CNc1sc(CC)cc1C(=O)OCC	ZINC000006848072	263981940	/nfs/dbraw/zinc/98/19/40/263981940.db2.gz	FXUAXTHKLLBKQB-MDZDMXLPSA-N	0	0	322.386	2.870	50	50		DFGARN
CCSC1=C(C#N)C(=O)N[C@@H](c2ccc(O)c(OC)c2)S1	ZINC000006720987	263987103	/nfs/dbraw/zinc/98/71/03/263987103.db2.gz	ZSMJOHJXOUUIRY-CYBMUJFWSA-N	0	0	322.411	2.751	50	50		DFGARN
CN1CSC2=C(C#N)[C@@H](c3ccccc3Cl)CC(=O)N2C1	ZINC000020533489	263991959	/nfs/dbraw/zinc/99/19/59/263991959.db2.gz	SINFAPXNUDLWPO-LLVKDONJSA-N	0	0	319.817	2.985	50	50		DFGARN
COc1ccc(O)c(/C=C(/C#N)C(=O)Nc2cccc(O)c2)c1	ZINC000033325810	264001515	/nfs/dbraw/zinc/00/15/15/264001515.db2.gz	FGWNDDFRILGQSA-GHXNOFRVSA-N	0	0	310.309	2.652	50	50		DFGARN
COc1ccccc1N1C=C(C#N)S(=O)(=O)c2ccccc21	ZINC000065095888	264004002	/nfs/dbraw/zinc/00/40/02/264004002.db2.gz	DFGRLVSKTLPQOS-UHFFFAOYSA-N	0	0	312.350	2.986	50	50		DFGARN
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	ZINC000002743916	264004283	/nfs/dbraw/zinc/00/42/83/264004283.db2.gz	QRPGVORKPUPNOJ-MDWZMJQESA-N	0	0	322.320	2.970	50	50		DFGARN
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)no1	ZINC000008056239	264007272	/nfs/dbraw/zinc/00/72/72/264007272.db2.gz	VDNATVYKIIYMCM-RIYZIHGNSA-N	0	0	310.357	2.576	50	50		DFGARN
Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	ZINC000000062981	264008892	/nfs/dbraw/zinc/00/88/92/264008892.db2.gz	LAGKVMPFAHFVAM-ZDUSSCGKSA-N	0	0	314.728	2.820	50	50		DFGARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccoc1)C(C#N)=C(N)O2	ZINC000000031808	264013315	/nfs/dbraw/zinc/01/33/15/264013315.db2.gz	IIWJUZGHRGNEQE-INIZCTEOSA-N	0	0	318.336	2.992	50	50		DFGARN
Cc1oc(C)c(C(=O)NNc2oc(C(C)C)nc2C#N)c1C	ZINC000058024359	264013480	/nfs/dbraw/zinc/01/34/80/264013480.db2.gz	DGEDHLFLNOCMKA-UHFFFAOYSA-N	0	0	302.334	2.945	50	50		DFGARN
Cc1[nH]nc2c1[C@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2	ZINC000004631472	264013633	/nfs/dbraw/zinc/01/36/33/264013633.db2.gz	OJJRJALCOPUXJS-OAHLLOKOSA-N	0	0	310.357	2.724	50	50		DFGARN
N#CC(=CNc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1	ZINC000005021747	264014568	/nfs/dbraw/zinc/01/45/68/264014568.db2.gz	QIRDSQIXKOHNRU-KAMYIIQDSA-N	0	0	321.336	2.551	50	50		DFGARN
Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21	ZINC000002670627	264015122	/nfs/dbraw/zinc/01/51/22/264015122.db2.gz	PULFNWVMNXXPFI-QGZVFWFLSA-N	0	0	319.364	2.993	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCO2)c1nnc2n1CCCCC2	ZINC000003893053	264016161	/nfs/dbraw/zinc/01/61/61/264016161.db2.gz	IFAZMNGKRNQMIZ-JYRVWZFOSA-N	0	0	308.341	2.797	50	50		DFGARN
N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)C(N)=O	ZINC000013865458	264016757	/nfs/dbraw/zinc/01/67/57/264016757.db2.gz	ZGZUIDBOBPOOSF-RVDMUPIBSA-N	0	0	306.369	2.617	50	50		DFGARN
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O	ZINC000003570164	264017210	/nfs/dbraw/zinc/01/72/10/264017210.db2.gz	IONAMTQUYCMBFK-PTNGSMBKSA-N	0	0	314.348	2.932	50	50		DFGARN
N#C/C(=C\c1ccco1)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000003299746	264019659	/nfs/dbraw/zinc/01/96/59/264019659.db2.gz	WDJOZOUCDFKWGR-WYMLVPIESA-N	0	0	323.352	2.662	50	50		DFGARN
N#CC(C#N)=Cc1c(Oc2ccccc2)nc2ccccn2c1=O	ZINC000002423070	264019834	/nfs/dbraw/zinc/01/98/34/264019834.db2.gz	IZFXCRWRRFCEFX-UHFFFAOYSA-N	0	0	314.304	2.917	50	50		DFGARN
N#CC1=C2CCCC[C@@H]2[C@H](c2ccncc2)C(C#N)(C#N)C1=N	ZINC000019818655	264020637	/nfs/dbraw/zinc/02/06/37/264020637.db2.gz	LYNQWMKXNJUABN-HOCLYGCPSA-N	0	0	301.353	2.675	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccoc1	ZINC000004494831	264021216	/nfs/dbraw/zinc/02/12/16/264021216.db2.gz	OIOBVIXDDNDDFA-ZDUSSCGKSA-N	0	0	304.309	2.888	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@H]1c1ccc(O)cc1	ZINC000020086203	264022701	/nfs/dbraw/zinc/02/27/01/264022701.db2.gz	RCTRTKBRKMLACT-HNNXBMFYSA-N	0	0	303.325	2.560	50	50		DFGARN
CCCC[C@H](CC)COC(=O)/C(C#N)=C\C=C1/OCCN1C	ZINC000299804283	266039871	/nfs/dbraw/zinc/03/98/71/266039871.db2.gz	PFAFVNWEHFTOLZ-VVEFGSQUSA-N	0	0	306.406	2.999	50	50		DFGARN
Cc1ccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1	ZINC000004326987	398349821	/nfs/dbraw/zinc/34/98/21/398349821.db2.gz	JEYOEQVRJCOQSC-RGVLZGJSSA-N	0	0	320.352	2.565	50	50		DFGARN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1	ZINC000016322370	398399579	/nfs/dbraw/zinc/39/95/79/398399579.db2.gz	VQTDQYGVZQXHLG-LLVKDONJSA-N	0	0	303.749	2.653	50	50		DFGARN
O=C(NNC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1	ZINC000048520891	398785802	/nfs/dbraw/zinc/78/58/02/398785802.db2.gz	DGQPDHJAQGECBA-UHFFFAOYSA-N	0	0	306.272	2.823	50	50		DFGARN
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)NC1CCCC1	ZINC000058536818	399086014	/nfs/dbraw/zinc/08/60/14/399086014.db2.gz	FAUYCEIUJQUNKX-YVLHZVERSA-N	0	0	320.396	2.897	50	50		DFGARN
CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC000000083679	263616257	/nfs/dbraw/zinc/61/62/57/263616257.db2.gz	LFNOZCYLHFNRJZ-KPKJPENVSA-N	0	0	311.297	2.816	50	50		DFGARN
N#CC1C(=O)N[C@@H](c2ccco2)N(c2ccc(F)cc2)C1=S	ZINC000000352250	263620130	/nfs/dbraw/zinc/62/01/30/263620130.db2.gz	JCUQLBFYUSWHNG-CYBMUJFWSA-N	0	0	315.329	2.719	50	50		DFGARN
C=CCOc1ccc(C=C(C#N)c2[nH]nc(N)c2C#N)cc1OC	ZINC000004067320	263970502	/nfs/dbraw/zinc/97/05/02/263970502.db2.gz	UMMDPFRRNTYWFJ-KPKJPENVSA-N	0	0	321.340	2.501	50	50		DFGARN
COC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2Cl)c1	ZINC000024586725	263993120	/nfs/dbraw/zinc/99/31/20/263993120.db2.gz	SGAVXWAVFUYSLU-AWNIVKPZSA-N	0	0	301.733	2.665	50	50		DFGARN
COCc1[nH]nc2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	ZINC000004631556	263997327	/nfs/dbraw/zinc/99/73/27/263997327.db2.gz	INLGIXHZRUIMRA-HNNXBMFYSA-N	0	0	324.384	2.898	50	50		DFGARN
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2nccs2)c1	ZINC000006490576	264002954	/nfs/dbraw/zinc/00/29/54/264002954.db2.gz	JECJMWNFJCZNKA-YRNVUSSQSA-N	0	0	315.354	2.706	50	50		DFGARN
COc1ccccc1OCC(=O)C(C#N)=C1Nc2ccccc2N1	ZINC000005687051	264003575	/nfs/dbraw/zinc/00/35/75/264003575.db2.gz	TUXURDNYMOXJPL-UHFFFAOYSA-N	0	0	321.336	2.916	50	50		DFGARN
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1	ZINC000005784584	264006329	/nfs/dbraw/zinc/00/63/29/264006329.db2.gz	HRSUSJHRQFSVAN-PFVNGKLPSA-N	0	0	303.318	2.790	50	50		DFGARN
Cc1nn(C)c(C)c1/C=C(\C#N)S(=O)(=O)c1ccc(F)cc1	ZINC000008133471	264013562	/nfs/dbraw/zinc/01/35/62/264013562.db2.gz	AEGVTZQMSQZAMQ-RIYZIHGNSA-N	0	0	319.361	2.514	50	50		DFGARN
N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1	ZINC000004723651	264015840	/nfs/dbraw/zinc/01/58/40/264015840.db2.gz	MRJVKMKVLJMDFK-OWBHPGMISA-N	0	0	323.352	2.662	50	50		DFGARN
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000035132417	264016278	/nfs/dbraw/zinc/01/62/78/264016278.db2.gz	QFLXHXVRNKVKBH-XFXZXTDPSA-N	0	0	309.281	2.846	50	50		DFGARN
N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCCC1	ZINC000003375909	264018298	/nfs/dbraw/zinc/01/82/98/264018298.db2.gz	BDPKFAZWKCXDID-XYOKQWHBSA-N	0	0	305.175	2.978	50	50		DFGARN
N#CC1=C2CCCC[C@H]2[C@H](c2ccncc2)C(C#N)(C#N)C1=N	ZINC000019818656	264019948	/nfs/dbraw/zinc/01/99/48/264019948.db2.gz	LYNQWMKXNJUABN-ZBFHGGJFSA-N	0	0	301.353	2.675	50	50		DFGARN
N#CC1=C(N)N(c2ccccc2)[C@@H](c2ccco2)C1(C#N)C#N	ZINC000000519985	264021722	/nfs/dbraw/zinc/02/17/22/264021722.db2.gz	GUPFTQZXYCJXSL-HNNXBMFYSA-N	0	0	301.309	2.568	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccoc1	ZINC000004494832	264021734	/nfs/dbraw/zinc/02/17/34/264021734.db2.gz	OIOBVIXDDNDDFA-CYBMUJFWSA-N	0	0	304.309	2.888	50	50		DFGARN
COc1ccc(CCNC(=O)/C(C#N)=C\c2occc2C)cc1	ZINC000098056057	264901236	/nfs/dbraw/zinc/90/12/36/264901236.db2.gz	WGFMYARHJBJGAU-PTNGSMBKSA-N	0	0	310.353	2.863	50	50		DFGARN
Cc1ccccc1OCC(=O)NN=C1CCOc2c(C)cccc21	ZINC000013133376	425748024	/nfs/dbraw/zinc/74/80/24/425748024.db2.gz	MMXQYQPADDMCBB-UHFFFAOYSA-N	0	0	324.380	2.985	50	50		DFGARN
CC1(C)C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)C(C)(C)N1O	ZINC000003053482	398347431	/nfs/dbraw/zinc/34/74/31/398347431.db2.gz	CGBWAJDUVPGBCH-GFCCVEGCSA-N	0	0	308.334	2.769	50	50		DFGARN
CNc1ccccc1C(=O)NNC(=O)Nc1cccc(Cl)c1	ZINC000048520901	398785854	/nfs/dbraw/zinc/78/58/54/398785854.db2.gz	JYKNJOSKUJBKQV-UHFFFAOYSA-N	0	0	318.764	2.848	50	50		DFGARN
COc1cc(OCCBr)ccc1C=C(C#N)C#N	ZINC000048545508	398785936	/nfs/dbraw/zinc/78/59/36/398785936.db2.gz	JZQMESSFIRFZFD-UHFFFAOYSA-N	0	0	307.147	2.899	50	50		DFGARN
CSC1=C(C#N)[C@](O)(c2cccs2)N=C(C(F)(F)F)N1	ZINC000000124473	263617907	/nfs/dbraw/zinc/61/79/07/263617907.db2.gz	SJASARCTPZQNJE-JTQLQIEISA-N	0	0	319.333	2.555	50	50		DFGARN
C=CCSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1	ZINC000008996106	263970453	/nfs/dbraw/zinc/97/04/53/263970453.db2.gz	QZCPSVUHENGULI-ZDUSSCGKSA-N	0	0	300.383	2.953	50	50		DFGARN
C=CCSC1=C(C#N)[C@@H](c2cccc(OC)c2)CC(=O)N1	ZINC000002158248	263970507	/nfs/dbraw/zinc/97/05/07/263970507.db2.gz	JBLFBTHCFDQUOD-CYBMUJFWSA-N	0	0	300.383	2.953	50	50		DFGARN
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1	ZINC000015219788	263993875	/nfs/dbraw/zinc/99/38/75/263993875.db2.gz	SOFLZIRTNMQZBC-UVTDQMKNSA-N	0	0	322.320	2.724	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1O	ZINC000003244780	264001010	/nfs/dbraw/zinc/00/10/10/264001010.db2.gz	PCWSWQBDIUPWEG-OQLLNIDSSA-N	0	0	308.337	2.624	50	50		DFGARN
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2O)cc1	ZINC000000548292	264001723	/nfs/dbraw/zinc/00/17/23/264001723.db2.gz	KIBYYOFBGOKKSI-UKTHLTGXSA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)o1	ZINC000002749496	264004314	/nfs/dbraw/zinc/00/43/14/264004314.db2.gz	OPZQKVQCBWIGHG-ZRDIBKRKSA-N	0	0	311.341	2.900	50	50		DFGARN
COc1nc2c([nH]1)[C@H](c1ccccc1C(C)(C)C)C(C#N)=C(N)O2	ZINC000006419556	264004501	/nfs/dbraw/zinc/00/45/01/264004501.db2.gz	XEFJRUQLKWYLRT-CYBMUJFWSA-N	0	0	324.384	2.934	50	50		DFGARN
Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	ZINC000018123313	264008634	/nfs/dbraw/zinc/00/86/34/264008634.db2.gz	PMQGRQZSHFQCNO-CYBMUJFWSA-N	0	0	313.744	2.555	50	50		DFGARN
Cc1ccc(F)c(S(=O)(=O)C(C#N)=C2CCCCCN2)c1	ZINC000067340897	264009576	/nfs/dbraw/zinc/00/95/76/264009576.db2.gz	AELOJHUSAIPRGT-SQFISAMPSA-N	0	0	308.378	2.807	50	50		DFGARN
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1	ZINC000007211941	264009674	/nfs/dbraw/zinc/00/96/74/264009674.db2.gz	SDKUVCZWDJNANQ-GXDHUFHOSA-N	0	0	323.352	2.836	50	50		DFGARN
Cc1ccc([C@@H]2c3c(n[nH]c3-c3cccnc3)OC(N)=C2C#N)o1	ZINC000005818371	264010712	/nfs/dbraw/zinc/01/07/12/264010712.db2.gz	YWDVDAAVROUAAF-CYBMUJFWSA-N	0	0	319.324	2.591	50	50		DFGARN
Cc1ccc2cc(/C=C(\C#N)C(N)=O)c(N3CCCCC3)nc2c1	ZINC000025330034	264010822	/nfs/dbraw/zinc/01/08/22/264010822.db2.gz	AAISUDVSXFOHOW-LFIBNONCSA-N	0	0	320.396	2.926	50	50		DFGARN
Cc1ccsc1/C=C(/C#N)C(=O)NCC[NH+]1CCCCC1	ZINC000033287917	264012297	/nfs/dbraw/zinc/01/22/97/264012297.db2.gz	LYKVLANITVZBJE-KAMYIIQDSA-N	0	0	303.431	2.566	50	50		DFGARN
Cc1cccc(OCCOc2ccccc2/C=C(/C#N)C(N)=O)c1	ZINC000013940659	264012728	/nfs/dbraw/zinc/01/27/28/264012728.db2.gz	XDCIOMQXCSWZFS-VBKFSLOCSA-N	0	0	322.364	2.845	50	50		DFGARN
Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C(\C#N)C(N)=O	ZINC000003328894	264013747	/nfs/dbraw/zinc/01/37/47/264013747.db2.gz	XAVJVJFEANGKOY-RMKNXTFCSA-N	0	0	321.167	2.880	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1c1ccoc1	ZINC000004014717	264021546	/nfs/dbraw/zinc/02/15/46/264021546.db2.gz	NNCIFKNQFUWHCL-LLVKDONJSA-N	0	0	310.338	2.949	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccncc1	ZINC000009089152	264021758	/nfs/dbraw/zinc/02/17/58/264021758.db2.gz	OYKPAWSIQBRZMV-CQSZACIVSA-N	0	0	315.336	2.690	50	50		DFGARN
N#CC1C(=O)N[C@H](c2ccccc2)N(c2ccccc2)C1=S	ZINC000004619742	264022182	/nfs/dbraw/zinc/02/21/82/264022182.db2.gz	SHGAPLGCSXZJMV-HNNXBMFYSA-N	0	0	307.378	2.987	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1cccnc1	ZINC000004718512	264022450	/nfs/dbraw/zinc/02/24/50/264022450.db2.gz	BFLMIRAYBVAULU-AWEZNQCLSA-N	0	0	315.336	2.690	50	50		DFGARN
N#CC1C(=S)NC(=O)C[C@@H]1c1ccc(Br)cc1	ZINC000008973527	264022463	/nfs/dbraw/zinc/02/24/63/264022463.db2.gz	KYWLZNYZGJAYSW-SECBINFHSA-N	0	0	309.188	2.718	50	50		DFGARN
O=C(NN=Cc1ccc(Br)cc1)c1ccncc1	ZINC000017323311	398403822	/nfs/dbraw/zinc/40/38/22/398403822.db2.gz	WJDGJNGJDIMLRB-UHFFFAOYSA-N	0	0	304.147	2.608	50	50		DFGARN
C=CCNC(=O)/C(C#N)=C/c1cnn(-c2ccc(Cl)cc2)c1	ZINC000044022785	263968437	/nfs/dbraw/zinc/96/84/37/263968437.db2.gz	HYNKSGFJCDHXTI-MDWZMJQESA-N	0	0	312.760	2.735	50	50		DFGARN
CCCc1[nH]nc2c1[C@H](c1c(F)cccc1F)C(C#N)=C(N)O2	ZINC000067601727	263978731	/nfs/dbraw/zinc/97/87/31/263978731.db2.gz	CGOBLAGDAXBHPF-LBPRGKRZSA-N	0	0	316.311	2.859	50	50		DFGARN
COC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1OC(F)F	ZINC000006637511	263992726	/nfs/dbraw/zinc/99/27/26/263992726.db2.gz	HKONLQAZMXLSPR-XBXARRHUSA-N	0	0	319.210	2.969	50	50		DFGARN
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1O	ZINC000000559276	264000233	/nfs/dbraw/zinc/00/02/33/264000233.db2.gz	PEKZSSLKGBZMRS-UKTHLTGXSA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)o2)cc1	ZINC000030798242	264002319	/nfs/dbraw/zinc/00/23/19/264002319.db2.gz	MHNJQUMXOXTJNH-BENRWUELSA-N	0	0	311.341	2.900	50	50		DFGARN
COc1ccc([C@@H]2Nc3nc4ccccc4n3C(N)=C2C#N)cc1	ZINC000005028352	264003144	/nfs/dbraw/zinc/00/31/44/264003144.db2.gz	JOFZWWALFYEHAW-INIZCTEOSA-N	0	0	317.352	2.863	50	50		DFGARN
C[C@H](NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000006522007	264005330	/nfs/dbraw/zinc/00/53/30/264005330.db2.gz	YKAPTNHJXOXVNR-KWJWQAOWSA-N	0	0	311.297	2.972	50	50		DFGARN
C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/C=C/c1ccco1	ZINC000002101544	264006013	/nfs/dbraw/zinc/00/60/13/264006013.db2.gz	IKDYWVLZTONTHL-YIVWXJCQSA-N	0	0	309.325	2.734	50	50		DFGARN
Cc1cccc(N2C(=S)C(C#N)C(=O)N[C@@H]2c2ccco2)c1	ZINC000004116939	264011000	/nfs/dbraw/zinc/01/10/00/264011000.db2.gz	BXYVEJCBZKVZOP-AWEZNQCLSA-N	0	0	311.366	2.888	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1c1ccncc1	ZINC000013151295	264021773	/nfs/dbraw/zinc/02/17/73/264021773.db2.gz	CBTGLXLKNNEDIS-LBPRGKRZSA-N	0	0	321.365	2.751	50	50		DFGARN
N#CC1=C2Nc3ccccc3N2C(N)=C(C#N)[C@H]1c1ccncc1	ZINC000000492662	264022665	/nfs/dbraw/zinc/02/26/65/264022665.db2.gz	NBJPDJFRXMHKFI-MRXNPFEDSA-N	0	0	312.336	2.540	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@@H]1c1ccc(F)cc1	ZINC000003907199	264022722	/nfs/dbraw/zinc/02/27/22/264022722.db2.gz	FLHYZRYPUQXYOX-OAHLLOKOSA-N	0	0	305.316	2.993	50	50		DFGARN
Cc1cc(C)n(C[C@@H]2CN(/C(=C/C#N)c3ccccc3)CCO2)n1	ZINC000170654767	267322858	/nfs/dbraw/zinc/32/28/58/267322858.db2.gz	PZJHLOAGDFZRCU-POKCZJJJSA-N	0	0	322.412	2.765	50	50		DFGARN
O=C(NN=Cc1ccccn1)c1ccc(Br)cc1	ZINC000252452424	427172596	/nfs/dbraw/zinc/17/25/96/427172596.db2.gz	HVMRJFFCKYXQOK-UHFFFAOYSA-N	0	0	304.147	2.608	50	50		DFGARN
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)C1CC1	ZINC000254391621	427220464	/nfs/dbraw/zinc/22/04/64/427220464.db2.gz	NSSNYOUZZAOCMR-UHFFFAOYSA-N	0	0	320.755	2.833	50	50		DFGARN
C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccncc1	ZINC000016322372	398399058	/nfs/dbraw/zinc/39/90/58/398399058.db2.gz	VQTDQYGVZQXHLG-NSHDSACASA-N	0	0	303.749	2.653	50	50		DFGARN
CC(C)(C)c1[nH]nc2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2	ZINC000005052086	263971534	/nfs/dbraw/zinc/97/15/34/263971534.db2.gz	VCHWAFBSBSAOHE-LBPRGKRZSA-N	0	0	310.357	2.631	50	50		DFGARN
CCCc1[nH]nc2c1[C@H](c1ccsc1C)C(C#N)=C(N)O2	ZINC000009088922	263978681	/nfs/dbraw/zinc/97/86/81/263978681.db2.gz	ZGUBQUIWHJBVMV-GFCCVEGCSA-N	0	0	300.387	2.950	50	50		DFGARN
CCOC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000000049125	263981968	/nfs/dbraw/zinc/98/19/68/263981968.db2.gz	AHFWPBLOJAGIMJ-ZRDIBKRKSA-N	0	0	311.297	2.856	50	50		DFGARN
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccccc1	ZINC000000494737	263983452	/nfs/dbraw/zinc/98/34/52/263983452.db2.gz	FJFBASUSZUJUFD-ZDUSSCGKSA-N	0	0	318.760	2.550	50	50		DFGARN
CCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)c(OCC)c1	ZINC000001019031	263985694	/nfs/dbraw/zinc/98/56/94/263985694.db2.gz	GNXRDXJHQGNAQS-UKTHLTGXSA-N	0	0	300.358	2.670	50	50		DFGARN
CCOc1ccccc1[C@@H]1c2ccc(N)cc2OC(N)=C1C#N	ZINC000002485705	263987280	/nfs/dbraw/zinc/98/72/80/263987280.db2.gz	LVKPSJYPXBVNCF-QGZVFWFLSA-N	0	0	307.353	2.886	50	50		DFGARN
COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1O	ZINC000033408376	263999940	/nfs/dbraw/zinc/99/99/40/263999940.db2.gz	PCWSWQBDIUPWEG-DHDCSXOGSA-N	0	0	308.337	2.624	50	50		DFGARN
COc1ccc(O)c(/C=C(/C#N)C(=O)Nc2ccccc2OC)c1	ZINC000033325766	264002234	/nfs/dbraw/zinc/00/22/34/264002234.db2.gz	UNEQMMSBCWWDKS-LCYFTJDESA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCOCC1	ZINC000000540195	264002528	/nfs/dbraw/zinc/00/25/28/264002528.db2.gz	CKCHIMUDNOLFPI-NTCAYCPXSA-N	0	0	322.364	2.614	50	50		DFGARN
COc1ccc([C@H]2c3c(n[nH]c3C(C)(C)C)OC(N)=C2C#N)cc1	ZINC000000481854	264003276	/nfs/dbraw/zinc/00/32/76/264003276.db2.gz	LHBYNQYBYJZWKB-CYBMUJFWSA-N	0	0	324.384	2.934	50	50		DFGARN
COc1cccc([C@@H]2c3c(n[nH]c3C(C)(C)C)OC(N)=C2C#N)c1	ZINC000018324367	264003540	/nfs/dbraw/zinc/00/35/40/264003540.db2.gz	XHISGSZLXLLKEL-ZDUSSCGKSA-N	0	0	324.384	2.934	50	50		DFGARN
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3cccnc3)ccc2O1	ZINC000013207158	264005600	/nfs/dbraw/zinc/00/56/00/264005600.db2.gz	SPZQHFAAYQYSHG-LFMVTYOGSA-N	0	0	319.364	2.628	50	50		DFGARN
C[C@H](Br)C(=O)NC1=C(C#N)[C@@H]2CCC[C@@H]2S1	ZINC000004872047	264006330	/nfs/dbraw/zinc/00/63/30/264006330.db2.gz	HWZYDWHXBXTAKG-ZKWXMUAHSA-N	0	0	301.209	2.537	50	50		DFGARN
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)o1	ZINC000006034126	264009605	/nfs/dbraw/zinc/00/96/05/264009605.db2.gz	XQZZNOVYPAJZQT-NTUHNPAUSA-N	0	0	310.309	2.540	50	50		DFGARN
Cc1ccc(N2C(=S)C(C#N)C(=O)N[C@@H]2c2ccco2)cc1	ZINC000004116937	264009834	/nfs/dbraw/zinc/00/98/34/264009834.db2.gz	VFIRJYJMECEAGF-AWEZNQCLSA-N	0	0	311.366	2.888	50	50		DFGARN
Cc1ccc2cc(/C=C(/C#N)C(N)=O)c(N3CCCCC3)nc2c1	ZINC000020407916	264011324	/nfs/dbraw/zinc/01/13/24/264011324.db2.gz	AAISUDVSXFOHOW-WJDWOHSUSA-N	0	0	320.396	2.926	50	50		DFGARN
N#CC(=CNc1ccc(Oc2ccccc2)cc1)c1nn[nH]n1	ZINC000005279497	264016686	/nfs/dbraw/zinc/01/66/86/264016686.db2.gz	HEUUUXQCLBDGRW-VAWYXSNFSA-N	0	0	304.313	2.969	50	50		DFGARN
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)N1CCOCC1	ZINC000000864558	264018090	/nfs/dbraw/zinc/01/80/90/264018090.db2.gz	SUZURFVRHIDWOV-YRNVUSSQSA-N	0	0	311.168	2.759	50	50		DFGARN
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(N)nc(N)n1	ZINC000032912825	264018454	/nfs/dbraw/zinc/01/84/54/264018454.db2.gz	GSUUEHMNGIFZDA-XNTDXEJSSA-N	0	0	314.352	2.767	50	50		DFGARN
N#C/C(=C\c1coc2ccccc2c1=O)C(=O)NCc1ccco1	ZINC000005035153	264019374	/nfs/dbraw/zinc/01/93/74/264019374.db2.gz	FPJINIZJXRGWEP-XYOKQWHBSA-N	0	0	320.304	2.609	50	50		DFGARN
N#CC(C#N)=CNC1CCN(c2nc3ccccc3s2)CC1	ZINC000065832365	264020673	/nfs/dbraw/zinc/02/06/73/264020673.db2.gz	HYQLBYWEOWHUEQ-UHFFFAOYSA-N	0	0	309.398	2.786	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1c1cccnc1	ZINC000013118283	264021379	/nfs/dbraw/zinc/02/13/79/264021379.db2.gz	AHECCLJHDMPPDZ-LBPRGKRZSA-N	0	0	321.365	2.751	50	50		DFGARN
N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2cccnc2)C1(C#N)C#N	ZINC000004635594	264021643	/nfs/dbraw/zinc/02/16/43/264021643.db2.gz	XSEWDJOCKQYSIQ-CJNGLKHVSA-N	0	0	301.353	2.675	50	50		DFGARN
N#CC1=C2Nc3ccccc3N2C(N)=C(C#N)[C@@H]1c1ccncc1	ZINC000000492661	264022664	/nfs/dbraw/zinc/02/26/64/264022664.db2.gz	NBJPDJFRXMHKFI-INIZCTEOSA-N	0	0	312.336	2.540	50	50		DFGARN
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(F)ccc1F	ZINC000065362312	264022766	/nfs/dbraw/zinc/02/27/66/264022766.db2.gz	USFBOVHLQWGLEF-HNNXBMFYSA-N	0	0	300.264	2.889	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@H]1c1ccc(F)cc1	ZINC000003907198	264022774	/nfs/dbraw/zinc/02/27/74/264022774.db2.gz	FLHYZRYPUQXYOX-HNNXBMFYSA-N	0	0	305.316	2.993	50	50		DFGARN
CC(N)=C(C#N)C(=O)COC(=O)C=Cc1ccc(C(C)C)cc1	ZINC000096448621	264901107	/nfs/dbraw/zinc/90/11/07/264901107.db2.gz	SZVCIJQTQRIVRM-ULIRAGFISA-N	0	0	312.369	2.692	50	50		DFGARN
Cc1cc(C)n(C[C@H]2CN(/C(=C/C#N)c3ccccc3)CCO2)n1	ZINC000170654768	267322988	/nfs/dbraw/zinc/32/29/88/267322988.db2.gz	PZJHLOAGDFZRCU-NXFFSXPPSA-N	0	0	322.412	2.765	50	50		DFGARN
O=C(NN=Cc1cccc(Br)c1)c1cccc(O)c1	ZINC000254331047	427220012	/nfs/dbraw/zinc/22/00/12/427220012.db2.gz	WGVKGPOLHVJRRO-UHFFFAOYSA-N	0	0	319.158	2.919	50	50		DFGARN
O=C(NN=Cc1cc(Br)ccc1O)c1ccco1	ZINC000254289508	427220334	/nfs/dbraw/zinc/22/03/34/427220334.db2.gz	IWTNGIYGYJMPHA-UHFFFAOYSA-N	0	0	309.119	2.512	50	50		DFGARN
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(F)c1	ZINC000254800486	427224763	/nfs/dbraw/zinc/22/47/63/427224763.db2.gz	UBJPOVVSOBAZQN-MRXNPFEDSA-N	0	0	314.316	2.506	50	50		DFGARN
O=C(Cc1c[nH]c2ccccc12)NN=Cc1nc2ccccc2[nH]1	ZINC000001021831	398347088	/nfs/dbraw/zinc/34/70/88/398347088.db2.gz	SEKUIYVLEPNLAS-UHFFFAOYSA-N	0	0	317.352	2.737	50	50		DFGARN
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2[C@@H](CCl)[C@@H]21	ZINC000048546817	398785926	/nfs/dbraw/zinc/78/59/26/398785926.db2.gz	MLTYBNOOCIGFAS-ZPHYEXBNSA-N	0	0	310.777	2.573	50	50		DFGARN
CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]2[C@@H]1[C@H]2CCl	ZINC000048546812	398786023	/nfs/dbraw/zinc/78/60/23/398786023.db2.gz	MLTYBNOOCIGFAS-QGRVMZGNSA-N	0	0	310.777	2.573	50	50		DFGARN
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3ccco3)ccc2O1	ZINC000013816306	269896227	/nfs/dbraw/zinc/89/62/27/269896227.db2.gz	URYHBPYSHWQXKW-DGGAMASNSA-N	0	0	308.337	2.826	50	50		DFGARN
CSC1=C(C#N)C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)S1	ZINC000000137141	263618120	/nfs/dbraw/zinc/61/81/20/263618120.db2.gz	HLYLUPJNRABWFX-NSHDSACASA-N	0	0	307.356	2.555	50	50		DFGARN
CCN(CC)C(=O)c1sc(NC(=O)CCl)c(C#N)c1C	ZINC000006046278	263978519	/nfs/dbraw/zinc/97/85/19/263978519.db2.gz	SWPRIXPIZXWJPF-UHFFFAOYSA-N	0	0	313.810	2.588	50	50		DFGARN
CCOC(=O)[C@H]1C=C(C#N)O[C@H](c2ccc(NC(C)=O)cc2)C1	ZINC000004267482	263983981	/nfs/dbraw/zinc/98/39/81/263983981.db2.gz	XTTWCFITUWNQAE-BBRMVZONSA-N	0	0	314.341	2.693	50	50		DFGARN
COCCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	ZINC000005068644	263996109	/nfs/dbraw/zinc/99/61/09/263996109.db2.gz	XKXBEHQSLGCNBR-DTQAZKPQSA-N	0	0	314.385	2.773	50	50		DFGARN
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccccn2)c1	ZINC000067190138	264002565	/nfs/dbraw/zinc/00/25/65/264002565.db2.gz	URJMVTKDZJEWRK-UKTHLTGXSA-N	0	0	309.325	2.644	50	50		DFGARN
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)[nH]1	ZINC000000034116	264007371	/nfs/dbraw/zinc/00/73/71/264007371.db2.gz	NLCCZTNXORBIQA-VIZOYTHASA-N	0	0	323.352	2.584	50	50		DFGARN
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(N)=O	ZINC000003244326	264014221	/nfs/dbraw/zinc/01/42/21/264014221.db2.gz	ILDGQQZQVBDKDR-RMKNXTFCSA-N	0	0	321.167	2.880	50	50		DFGARN
N#C/C(=C/c1c(F)cccc1Cl)C(=O)NC[C@@H]1CCCO1	ZINC000033302213	264014534	/nfs/dbraw/zinc/01/45/34/264014534.db2.gz	YJYFVEDGIBIXDE-BRNRAETOSA-N	0	0	308.740	2.681	50	50		DFGARN
N#C/C(=C/c1cccc(Br)c1)C(=O)N1CCCC1	ZINC000033370636	264016077	/nfs/dbraw/zinc/01/60/77/264016077.db2.gz	BDPKFAZWKCXDID-WQLSENKSSA-N	0	0	305.175	2.978	50	50		DFGARN
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1	ZINC000006829513	264016308	/nfs/dbraw/zinc/01/63/08/264016308.db2.gz	CSKUZSNPFFRLOP-DHDCSXOGSA-N	0	0	307.309	2.818	50	50		DFGARN
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1	ZINC000001456689	264017814	/nfs/dbraw/zinc/01/78/14/264017814.db2.gz	NAMJMCMKYDUPDY-MHWRWJLKSA-N	0	0	320.348	2.681	50	50		DFGARN
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCCO1	ZINC000000802019	264018074	/nfs/dbraw/zinc/01/80/74/264018074.db2.gz	GCEHAGRESJNFQR-CEFACKQISA-N	0	0	324.302	2.908	50	50		DFGARN
N#C/C(=C\c1ccc(Br)o1)C(=O)NCc1ccco1	ZINC000004723442	264018122	/nfs/dbraw/zinc/01/81/22/264018122.db2.gz	TVGQEAWRXIHJFG-RMKNXTFCSA-N	0	0	321.130	2.858	50	50		DFGARN
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000005156135	264018346	/nfs/dbraw/zinc/01/83/46/264018346.db2.gz	LPVSBISASCDJJB-UKTHLTGXSA-N	0	0	322.320	2.709	50	50		DFGARN
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2CSCC=C12	ZINC000023410397	264020196	/nfs/dbraw/zinc/02/01/96/264020196.db2.gz	RXTFAAXINIBMQQ-HZPDHXFCSA-N	0	0	318.405	2.843	50	50		DFGARN
N#CC1=C(N)Oc2cc([N+](=O)[O-])ccc2[C@@H]1c1cccc(O)c1	ZINC000000483038	264022498	/nfs/dbraw/zinc/02/24/98/264022498.db2.gz	KSEGFJUAMDAVCA-HNNXBMFYSA-N	0	0	309.281	2.519	50	50		DFGARN
N#CC1=C(N)n2c3ccccc3nc2N[C@H]1c1ccccc1F	ZINC000020086169	264022521	/nfs/dbraw/zinc/02/25/21/264022521.db2.gz	WUSRSDLBJWLLSI-HNNXBMFYSA-N	0	0	305.316	2.993	50	50		DFGARN
CNC(=O)/C(C#N)=C\c1cc(C)c(OCc2ccccn2)c(C)c1	ZINC000097073502	264901174	/nfs/dbraw/zinc/90/11/74/264901174.db2.gz	GFYVLVPIQDSBLW-YBEGLDIGSA-N	0	0	321.380	2.930	50	50		DFGARN
C[C@H](Br)C(=O)NC1=C(C#N)[C@@H]2CCC[C@H]2S1	ZINC000239309892	267121706	/nfs/dbraw/zinc/12/17/06/267121706.db2.gz	HWZYDWHXBXTAKG-ACLDMZEESA-N	0	0	301.209	2.537	50	50		DFGARN
C[C@H](Oc1ccccc1)C(=O)NN=Cc1ccc(N(C)C)cc1	ZINC000006182817	398353306	/nfs/dbraw/zinc/35/33/06/398353306.db2.gz	CEPTYZLDUHLMNU-AWEZNQCLSA-N	0	0	311.385	2.670	50	50		DFGARN
COc1ccc(NCC(=O)NN=Cc2ccccc2Cl)cc1	ZINC000008567225	398374145	/nfs/dbraw/zinc/37/41/45/398374145.db2.gz	XMZLWGBYDHEQIX-UHFFFAOYSA-N	0	0	317.776	2.911	50	50		DFGARN
N#CC1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccco1	ZINC000000077752	263616384	/nfs/dbraw/zinc/61/63/84/263616384.db2.gz	GQXPDPIOHVFOFN-CYBMUJFWSA-N	0	0	306.277	2.604	50	50		DFGARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C(C#N)=C(N)O1	ZINC000000077707	263616637	/nfs/dbraw/zinc/61/66/37/263616637.db2.gz	UWKNUGVJDFDJHW-OAHLLOKOSA-N	0	0	316.332	2.859	50	50		DFGARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1	ZINC000000077695	263616901	/nfs/dbraw/zinc/61/69/01/263616901.db2.gz	JRKDNHZJBRGSEA-HNNXBMFYSA-N	0	0	316.332	2.859	50	50		DFGARN
COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccccc1C	ZINC000001295091	263993309	/nfs/dbraw/zinc/99/33/09/263993309.db2.gz	MPJDCAKJXNMMEA-OLZOCXBDSA-N	0	0	316.382	2.936	50	50		DFGARN
COC(=O)c1cccc(NC=C(C#N)C(=O)Nc2ccccc2)c1	ZINC000057413974	263994310	/nfs/dbraw/zinc/99/43/10/263994310.db2.gz	VDFWHODSYSHGKF-WYMLVPIESA-N	0	0	321.336	2.931	50	50		DFGARN
COc1ccc(C=C(C#N)c2nc3ccccc3c(=O)[nH]2)cc1	ZINC000013407995	264000386	/nfs/dbraw/zinc/00/03/86/264000386.db2.gz	SRNGRTQASASQIG-RAXLEYEMSA-N	0	0	303.321	2.996	50	50		DFGARN
COc1cccc([C@H]2c3c(n[nH]c3C(C)(C)C)OC(N)=C2C#N)c1	ZINC000018324364	264004275	/nfs/dbraw/zinc/00/42/75/264004275.db2.gz	XHISGSZLXLLKEL-CYBMUJFWSA-N	0	0	324.384	2.934	50	50		DFGARN
COc1cccc([C@@H]2c3ccc(N(C)C)cc3OC(N)=C2C#N)c1	ZINC000013586158	264004300	/nfs/dbraw/zinc/00/43/00/264004300.db2.gz	JFMHZCNVZLFFKN-GOSISDBHSA-N	0	0	321.380	2.979	50	50		DFGARN
Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	ZINC000009014042	264008373	/nfs/dbraw/zinc/00/83/73/264008373.db2.gz	UZQKWEMLNDQRBU-ZDUSSCGKSA-N	0	0	313.744	2.555	50	50		DFGARN
Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	ZINC000009014041	264008843	/nfs/dbraw/zinc/00/88/43/264008843.db2.gz	UZQKWEMLNDQRBU-CYBMUJFWSA-N	0	0	313.744	2.555	50	50		DFGARN
Cc1ccccc1OCCOc1cccc(/C=C(\C#N)C(N)=O)c1	ZINC000013943825	264012785	/nfs/dbraw/zinc/01/27/85/264012785.db2.gz	NSBQYRGMGPHMBM-LFIBNONCSA-N	0	0	322.364	2.845	50	50		DFGARN
Cn1cccc1[C@H]1c2c(n[nH]c2-c2ccccc2)OC(N)=C1C#N	ZINC000005123851	264014531	/nfs/dbraw/zinc/01/45/31/264014531.db2.gz	KVISDYKFBCJWLC-AWEZNQCLSA-N	0	0	317.352	2.633	50	50		DFGARN
N#CC(=CNc1ccc(Sc2ccccn2)cc1)c1nn[nH]n1	ZINC000034828475	264017131	/nfs/dbraw/zinc/01/71/31/264017131.db2.gz	XEQOHXAFHVLBIB-ZHACJKMWSA-N	0	0	321.369	2.722	50	50		DFGARN
N#C/C(=C\c1cccnc1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000011183347	264018936	/nfs/dbraw/zinc/01/89/36/264018936.db2.gz	LEQWFARDUREDOE-UKTHLTGXSA-N	0	0	315.340	2.657	50	50		DFGARN
N#C/C(=C\c1cccn1-c1ccccc1)C(=O)NC[C@H]1CCCO1	ZINC000000520962	264018976	/nfs/dbraw/zinc/01/89/76/264018976.db2.gz	MHUYQTVJOWZLFO-NKAIQICCSA-N	0	0	321.380	2.679	50	50		DFGARN
N#C/C(=C\c1ccccc1OCc1ccccn1)C(=O)NC1CC1	ZINC000025198323	264019025	/nfs/dbraw/zinc/01/90/25/264019025.db2.gz	GEJKAYYYQVFWCQ-RVDMUPIBSA-N	0	0	319.364	2.846	50	50		DFGARN
N#CC1=C2CCCC[C@@H]2[C@H](c2ccc(O)cc2)C(C#N)(C#N)C1=N	ZINC000019287774	264020686	/nfs/dbraw/zinc/02/06/86/264020686.db2.gz	ZOCRMFXOQMNDGL-RDJZCZTQSA-N	0	0	316.364	2.986	50	50		DFGARN
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1	ZINC000098053648	264900654	/nfs/dbraw/zinc/90/06/54/264900654.db2.gz	SDKUVCZWDJNANQ-UVTDQMKNSA-N	0	0	323.352	2.836	50	50		DFGARN
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1F	ZINC000334160359	267907196	/nfs/dbraw/zinc/90/71/96/267907196.db2.gz	BYJRSNWZTBHOHL-VQHVLOKHSA-N	0	0	301.233	2.873	50	50		DFGARN
CCC(=NNC(=O)C1CC1)c1cc(Br)ccc1O	ZINC000254737428	427223352	/nfs/dbraw/zinc/22/33/52/427223352.db2.gz	GSEFCOUBLTVYEP-UHFFFAOYSA-N	0	0	311.179	2.795	50	50		DFGARN
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]2[C@@H]1[C@H]2CCl	ZINC000048546815	398785826	/nfs/dbraw/zinc/78/58/26/398785826.db2.gz	MLTYBNOOCIGFAS-ORUAGATBSA-N	0	0	310.777	2.573	50	50		DFGARN
N#C/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000000111869	263616844	/nfs/dbraw/zinc/61/68/44/263616844.db2.gz	ZUBDBAMTPWGDFY-GXDHUFHOSA-N	0	0	314.322	2.933	50	50		DFGARN
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C	ZINC000004486982	263970603	/nfs/dbraw/zinc/97/06/03/263970603.db2.gz	VNQUJPCXTPGUMX-INIZCTEOSA-N	0	0	310.353	2.806	50	50		DFGARN
CCCC1=C(C(=O)OCC)[C@@H](c2ccco2)C(C#N)=C(N)O1	ZINC000002205476	263976029	/nfs/dbraw/zinc/97/60/29/263976029.db2.gz	DKXWGEJLERNXJL-CYBMUJFWSA-N	0	0	302.330	2.705	50	50		DFGARN
CCOC(=O)C(C#N)=CNc1sc(C)c(C)c1C(=O)OCC	ZINC000006881679	263982029	/nfs/dbraw/zinc/98/20/29/263982029.db2.gz	SNLOZRMSLKSPIZ-DHZHZOJOSA-N	0	0	322.386	2.924	50	50		DFGARN
CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OC	ZINC000004829481	263982858	/nfs/dbraw/zinc/98/28/58/263982858.db2.gz	MJEHPFMLBAQNRU-POHAHGRESA-N	0	0	310.147	2.928	50	50		DFGARN
CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc(F)cc2)cn1C	ZINC000003046890	263993087	/nfs/dbraw/zinc/99/30/87/263993087.db2.gz	UOWRIVRFDXBFHJ-MYUONKKKSA-N	0	0	311.316	2.934	50	50		DFGARN
COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2O)c1	ZINC000000546530	264001502	/nfs/dbraw/zinc/00/15/02/264001502.db2.gz	SHERBIDIJCDWEA-XYOKQWHBSA-N	0	0	310.309	2.652	50	50		DFGARN
COc1ccc(F)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	ZINC000004310788	264001703	/nfs/dbraw/zinc/00/17/03/264001703.db2.gz	PLOKZXYZRZRVLP-HNNXBMFYSA-N	0	0	314.316	2.649	50	50		DFGARN
COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCC(C)CC2)cc1	ZINC000032025446	264003108	/nfs/dbraw/zinc/00/31/08/264003108.db2.gz	HOXGACRZEUKBBF-FOWTUZBSSA-N	0	0	320.414	2.566	50	50		DFGARN
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1	ZINC000000539890	264003562	/nfs/dbraw/zinc/00/35/62/264003562.db2.gz	LPRNSXCFKIPQAJ-UKTHLTGXSA-N	0	0	324.336	2.955	50	50		DFGARN
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)c(O)c1	ZINC000006794923	264005625	/nfs/dbraw/zinc/00/56/25/264005625.db2.gz	AEJJEOHHXUPABQ-TZRLYZKDSA-N	0	0	300.358	2.700	50	50		DFGARN
Cc1ccc(OCCOc2cccc(/C=C(\C#N)C(N)=O)c2)cc1	ZINC000004615999	264010906	/nfs/dbraw/zinc/01/09/06/264010906.db2.gz	SCANJOLGCOLZTK-LFIBNONCSA-N	0	0	322.364	2.845	50	50		DFGARN
Cc1occc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	ZINC000005397464	264013642	/nfs/dbraw/zinc/01/36/42/264013642.db2.gz	IPIRICICQRFVKM-UHFFFAOYSA-N	0	0	323.308	2.587	50	50		DFGARN
N#CC(=Cc1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC1CC1	ZINC000002768419	264014870	/nfs/dbraw/zinc/01/48/70/264014870.db2.gz	RPFPIMXKLVGQNS-XFFZJAGNSA-N	0	0	312.760	2.916	50	50		DFGARN
N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1	ZINC000006602902	264018399	/nfs/dbraw/zinc/01/83/99/264018399.db2.gz	PUEZMENXNZWVSK-MHWRWJLKSA-N	0	0	320.348	2.681	50	50		DFGARN
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1	ZINC000002198501	264018942	/nfs/dbraw/zinc/01/89/42/264018942.db2.gz	FZYYSRRYVZNCSI-XNTDXEJSSA-N	0	0	307.309	2.818	50	50		DFGARN
N#CC(C#N)=CN[C@@H]1CCCc2c1cnn2Cc1ccccc1	ZINC000032080784	264020652	/nfs/dbraw/zinc/02/06/52/264020652.db2.gz	MDULICWZGAHXKT-QGZVFWFLSA-N	0	0	303.369	2.829	50	50		DFGARN
N#CC1=C(N)N(c2ccccc2)NC1(C(F)(F)F)C(F)(F)F	ZINC000000032574	264021616	/nfs/dbraw/zinc/02/16/16/264021616.db2.gz	LSLGPAPUUKSHRP-UHFFFAOYSA-N	0	0	322.212	2.568	50	50		DFGARN
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)S(N)(=O)=O	ZINC000225552830	267881877	/nfs/dbraw/zinc/88/18/77/267881877.db2.gz	UHRASAWEWCDFGW-KPKJPENVSA-N	0	0	308.746	2.753	50	50		DFGARN
CCOc1ccc(C=NNC(=O)C[NH+]2CCCCCCC2)cc1	ZINC000000293511	398345606	/nfs/dbraw/zinc/34/56/06/398345606.db2.gz	SUUBYIIDRLJVOF-UHFFFAOYSA-N	0	0	317.433	2.802	50	50		DFGARN
CC(=NNC(=O)c1cccnc1)c1cccc(Br)c1	ZINC000245267431	398381735	/nfs/dbraw/zinc/38/17/35/398381735.db2.gz	LRNJNTMTKNPYQY-UHFFFAOYSA-N	0	0	318.174	2.998	50	50		DFGARN
C=CCNC(=O)/C(C#N)=C/c1cc(Br)ccc1OC	ZINC000003313795	263969227	/nfs/dbraw/zinc/96/92/27/263969227.db2.gz	VHYZBCDJXQSZHD-YRNVUSSQSA-N	0	0	321.174	2.667	50	50		DFGARN
CCCOc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC	ZINC000016440697	263977616	/nfs/dbraw/zinc/97/76/16/263977616.db2.gz	RUEZEUMJXYSMSX-NTEUORMPSA-N	0	0	302.374	2.916	50	50		DFGARN
COc1ccc(OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	ZINC000005578593	264003353	/nfs/dbraw/zinc/00/33/53/264003353.db2.gz	WRDLZNVFUQIIRH-UHFFFAOYSA-N	0	0	321.336	2.916	50	50		DFGARN
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccnc1	ZINC000000566158	264003378	/nfs/dbraw/zinc/00/33/78/264003378.db2.gz	QXQQHOBXGSSWCZ-KPKJPENVSA-N	0	0	324.296	2.544	50	50		DFGARN
COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(C)c1C	ZINC000002744159	264003501	/nfs/dbraw/zinc/00/35/01/264003501.db2.gz	PMUPJTSXWSRDNS-UKTHLTGXSA-N	0	0	310.357	2.591	50	50		DFGARN
COc1cccc([C@H]2c3ccc(OC)cc3OC(N)=C2C#N)c1	ZINC000034004524	264003505	/nfs/dbraw/zinc/00/35/05/264003505.db2.gz	WKLKYONGSSJYLW-KRWDZBQOSA-N	0	0	308.337	2.922	50	50		DFGARN
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(C#N)n1C	ZINC000003245094	264007455	/nfs/dbraw/zinc/00/74/55/264007455.db2.gz	BUKYGUMBZBYTBT-NTUHNPAUSA-N	0	0	308.316	2.890	50	50		DFGARN
Cc1cc2c(c(=O)n1C1CC1)[C@@H](c1ccccc1)C(C#N)=C(N)O2	ZINC000002436535	264008385	/nfs/dbraw/zinc/00/83/85/264008385.db2.gz	DNOIVVSUVBNRCC-INIZCTEOSA-N	0	0	319.364	2.710	50	50		DFGARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccnc1	ZINC000002726872	264010726	/nfs/dbraw/zinc/01/07/26/264010726.db2.gz	XYEQRAWDELHHJF-NTUHNPAUSA-N	0	0	308.297	2.844	50	50		DFGARN
Cc1nc2sccn2c1[C@@H]1c2ccc(N)cc2OC(N)=C1C#N	ZINC000018199198	264013911	/nfs/dbraw/zinc/01/39/11/264013911.db2.gz	UAEJOETYYWPCIB-CYBMUJFWSA-N	0	0	323.381	2.505	50	50		DFGARN
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NCc1ccccc1	ZINC000033863893	264016271	/nfs/dbraw/zinc/01/62/71/264016271.db2.gz	PUEZMENXNZWVSK-YBEGLDIGSA-N	0	0	320.348	2.681	50	50		DFGARN
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCO	ZINC000004032031	264017349	/nfs/dbraw/zinc/01/73/49/264017349.db2.gz	SYWNOQDDLUDTJH-FMIVXFBMSA-N	0	0	316.744	2.615	50	50		DFGARN
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(N)=O	ZINC000016401691	264018466	/nfs/dbraw/zinc/01/84/66/264018466.db2.gz	YNTGIYJDMXTYDU-NTEUORMPSA-N	0	0	323.308	2.566	50	50		DFGARN
N#C/C(=C\c1cccs1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000000034076	264019687	/nfs/dbraw/zinc/01/96/87/264019687.db2.gz	VRPKERQZKWHQIA-KPKJPENVSA-N	0	0	312.350	2.700	50	50		DFGARN
N#CC1=C(N)Oc2nc(-c3ccccc3)[nH]c2[C@@H]1c1cccnc1	ZINC000005066833	264021255	/nfs/dbraw/zinc/02/12/55/264021255.db2.gz	JGMLGMGREXIXFV-CQSZACIVSA-N	0	0	315.336	2.690	50	50		DFGARN
N#CC1=C(SCc2ccccc2Cl)NC(=O)[C@H](C(N)=O)C1	ZINC000017028412	264022531	/nfs/dbraw/zinc/02/25/31/264022531.db2.gz	QQYJFXUUQQFTNZ-JTQLQIEISA-N	0	0	321.789	2.770	50	50		DFGARN
N#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2[C@@H]1c1ccsc1	ZINC000004166719	264022695	/nfs/dbraw/zinc/02/26/95/264022695.db2.gz	LDLCDSUXOQQJFQ-GFCCVEGCSA-N	0	0	321.365	2.751	50	50		DFGARN
CCC(Cc1ccccc1)=NNC(=O)[C@H]1COc2ccccc2O1	ZINC000254871946	427224737	/nfs/dbraw/zinc/22/47/37/427224737.db2.gz	IUPBNTJACDKLJT-GOSISDBHSA-N	0	0	324.380	2.951	50	50		DFGARN
O=C(NN=C1CCCc2[nH]c3ccc(F)cc3c21)[C@H]1CCCO1	ZINC000254870418	427225075	/nfs/dbraw/zinc/22/50/75/427225075.db2.gz	WJTLPIBTSJLPSB-OAHLLOKOSA-N	0	0	315.348	2.643	50	50		DFGARN
O=C(NN=C1CCCc2[nH]c3ccc(F)cc3c21)[C@@H]1CCCO1	ZINC000254870416	427225586	/nfs/dbraw/zinc/22/55/86/427225586.db2.gz	WJTLPIBTSJLPSB-HNNXBMFYSA-N	0	0	315.348	2.643	50	50		DFGARN
Cc1ccccc1N1C(=S)C(C#N)C(=O)N[C@H]1c1ccco1	ZINC000000352257	263620471	/nfs/dbraw/zinc/62/04/71/263620471.db2.gz	VLIIQFSOLGSFLT-CQSZACIVSA-N	0	0	311.366	2.888	50	50		DFGARN
C=CCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)CC(=O)N1	ZINC000008995335	263970459	/nfs/dbraw/zinc/97/04/59/263970459.db2.gz	XCLWFUBJNVCEGX-NSHDSACASA-N	0	0	316.382	2.659	50	50		DFGARN
CCCC(=O)C1=C(c2ccccc2)C(C#N)(C#N)C(C#N)=C1N	ZINC000000500975	263975995	/nfs/dbraw/zinc/97/59/95/263975995.db2.gz	YYFGDUQNTHGTRZ-UHFFFAOYSA-N	0	0	302.337	2.593	50	50		DFGARN
CCCCN1c2ccccc2/C(=C(/C#N)C(=O)N2CCCC2)C1=O	ZINC000003265779	263976034	/nfs/dbraw/zinc/97/60/34/263976034.db2.gz	ZFJAMAVOYIQGBY-BMRADRMJSA-N	0	0	323.396	2.733	50	50		DFGARN
CCSc1cc([C@H]2c3c(C)[nH]nc3OC(N)=C2C#N)c(C)o1	ZINC000006492107	263988038	/nfs/dbraw/zinc/98/80/38/263988038.db2.gz	HIHQXJPAYXNYGV-CYBMUJFWSA-N	0	0	316.386	2.950	50	50		DFGARN
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1OC	ZINC000006009338	264002314	/nfs/dbraw/zinc/00/23/14/264002314.db2.gz	MYWRGDNZAGJMDB-JYRVWZFOSA-N	0	0	324.336	2.955	50	50		DFGARN
COc1ccc([C@@H]2c3c(n[nH]c3C(C)(C)C)OC(N)=C2C#N)cc1	ZINC000000481855	264003314	/nfs/dbraw/zinc/00/33/14/264003314.db2.gz	LHBYNQYBYJZWKB-ZDUSSCGKSA-N	0	0	324.384	2.934	50	50		DFGARN
COc1cccc(C=C(C#N)c2nc3ccccc3c(=O)[nH]2)c1	ZINC000006294948	264003871	/nfs/dbraw/zinc/00/38/71/264003871.db2.gz	OFOSDUNFHCMZRD-LCYFTJDESA-N	0	0	303.321	2.996	50	50		DFGARN
C[C@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000002768313	264005785	/nfs/dbraw/zinc/00/57/85/264005785.db2.gz	YKAPTNHJXOXVNR-GJSJWPQCSA-N	0	0	311.297	2.972	50	50		DFGARN
C[C@H](Br)C(=O)NC1=C(C#N)[C@H]2CCC[C@@H]2S1	ZINC000004872050	264005907	/nfs/dbraw/zinc/00/59/07/264005907.db2.gz	HWZYDWHXBXTAKG-OOZYFLPDSA-N	0	0	301.209	2.537	50	50		DFGARN
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1	ZINC000006211867	264010030	/nfs/dbraw/zinc/01/00/30/264010030.db2.gz	AEKHOFPIGVVXCX-PXNMLYILSA-N	0	0	320.348	2.947	50	50		DFGARN
Cc1[nH]nc2c1[C@@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2	ZINC000018137334	264012118	/nfs/dbraw/zinc/01/21/18/264012118.db2.gz	QPOCMCQHZLNBAL-LBPRGKRZSA-N	0	0	318.283	2.538	50	50		DFGARN
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)NCc1cccnc1	ZINC000000572302	264015169	/nfs/dbraw/zinc/01/51/69/264015169.db2.gz	ATFXUOBAXCMOFR-MFOYZWKCSA-N	0	0	317.348	2.624	50	50		DFGARN
N#C/C(=C\c1ccc(N2CCCC2)o1)C(=O)NCc1ccco1	ZINC000002807607	264017830	/nfs/dbraw/zinc/01/78/30/264017830.db2.gz	FESDQGRENMSUNO-JLHYYAGUSA-N	0	0	311.341	2.696	50	50		DFGARN
N#CC1=C(N)N(c2ccccc2)[C@@H](c2ccccc2)C1(C#N)C#N	ZINC000000521211	264021603	/nfs/dbraw/zinc/02/16/03/264021603.db2.gz	VPVNUZANVWHEPW-KRWDZBQOSA-N	0	0	311.348	2.975	50	50		DFGARN
N#CC1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1ccsc1	ZINC000000033444	264022492	/nfs/dbraw/zinc/02/24/92/264022492.db2.gz	MTPLAKVYWSDDMG-ZDUSSCGKSA-N	0	0	321.361	2.808	50	50		DFGARN
N#C/C(=C\c1ccco1)C(=O)NCCc1ccc(F)cc1F	ZINC000096298438	264900877	/nfs/dbraw/zinc/90/08/77/264900877.db2.gz	PAVAAGFWWRWSNP-XYOKQWHBSA-N	0	0	302.280	2.824	50	50		DFGARN
N#C/C(=C\c1cnc2ccccn12)C(=O)NCc1ccccc1	ZINC000096298490	264901242	/nfs/dbraw/zinc/90/12/42/264901242.db2.gz	LSKZRKXMEPVSFQ-XNTDXEJSSA-N	0	0	302.337	2.558	50	50		DFGARN
N#C/C(=C/c1cccnc1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000096931109	264901415	/nfs/dbraw/zinc/90/14/15/264901415.db2.gz	LEQWFARDUREDOE-LCYFTJDESA-N	0	0	315.340	2.657	50	50		DFGARN
COc1ccc(C=NNC(=O)[C@@H]2[C@@H]3CCCC[C@]23C)cc1OC	ZINC000013152178	425750848	/nfs/dbraw/zinc/75/08/48/425750848.db2.gz	SJSMAYIKPRLJRB-OWQGQXMQSA-N	0	0	316.401	2.980	50	50		DFGARN