smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CN1CCN(c2cc(C#N)cc(Cl)n2)CC1	ZINC000122770944	719328356	/nfs/dbraw/zinc/32/83/56/719328356.db2.gz	BPXGFVKFPFOKDS-UHFFFAOYSA-N	0	3	278.787	2.385	10	30		CEEEHN
C=CCN1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21	ZINC000096092303	185095636	/nfs/dbraw/zinc/09/56/36/185095636.db2.gz	RFSPAACZBLOUDH-OAGGEKHMSA-N	0	3	274.364	2.016	10	30		CEEEHN
CC1CCC(NC(=O)c2sccc2C#CCN)CC1	ZINC000097030523	185154975	/nfs/dbraw/zinc/15/49/75/185154975.db2.gz	ZEGHMUXRIPZRGC-UHFFFAOYSA-N	0	3	276.405	2.367	10	30		CEEEHN
C#CCN(CCC)[C@@H]1COc2c(cccc2OC)C1	ZINC000038600308	343434263	/nfs/dbraw/zinc/43/42/63/343434263.db2.gz	JHYWERUDKHLBRS-AWEZNQCLSA-N	0	3	259.349	2.344	10	30		CEEEHN
C#CCN1CCC(c2ccc(C(=O)OC)cc2)CC1	ZINC000113033344	344276330	/nfs/dbraw/zinc/27/63/30/344276330.db2.gz	LTBZXGSUELIMPU-UHFFFAOYSA-N	0	3	257.333	2.286	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@@H]2CCCO)c(F)c1	ZINC000052759561	362472585	/nfs/dbraw/zinc/47/25/85/362472585.db2.gz	WNSANQANSFWLFL-CQSZACIVSA-N	0	3	262.328	2.434	10	30		CEEEHN
Cc1nc(N2C[C@H]3CCCCN3C[C@@H]2C)ccc1C#N	ZINC000336836469	365905749	/nfs/dbraw/zinc/90/57/49/365905749.db2.gz	KVRJHRNSJPERIC-SWLSCSKDSA-N	0	3	270.380	2.325	10	30		CEEEHN
COc1ccc([C@H](C#N)NCCN(C)C)cc1Cl	ZINC000086595317	179310675	/nfs/dbraw/zinc/31/06/75/179310675.db2.gz	JWODOXRPUMNPJS-LBPRGKRZSA-N	0	3	267.760	2.064	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)NCCc1cccs1	ZINC000087747790	179480946	/nfs/dbraw/zinc/48/09/46/179480946.db2.gz	IGFHAKIZACNMRV-UHFFFAOYSA-N	0	3	298.411	2.339	10	30		CEEEHN
CCc1ccc(C(=O)NCc2ccccc2C#CCN)o1	ZINC000091775637	180251801	/nfs/dbraw/zinc/25/18/01/180251801.db2.gz	MHYSEXKCHYNHRH-UHFFFAOYSA-N	0	3	282.343	2.082	10	30		CEEEHN
CCN(CC)C(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000091962376	180293155	/nfs/dbraw/zinc/29/31/55/180293155.db2.gz	CIKGAPOFFHXCQK-ZDUSSCGKSA-N	0	3	273.380	2.109	10	30		CEEEHN
N#CCc1nc2ccccc2n1[C@@H](CN)c1ccco1	ZINC000110951783	186336714	/nfs/dbraw/zinc/33/67/14/186336714.db2.gz	DZBYWJAAFDBZNN-ZDUSSCGKSA-N	0	3	266.304	2.243	10	30		CEEEHN
NCC#Cc1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000111102429	186352602	/nfs/dbraw/zinc/35/26/02/186352602.db2.gz	HUYVKUWFDZUCLI-UXLLHSPISA-N	0	3	282.387	2.163	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCO)C[C@H]1CCCOC1	ZINC000111168282	186364541	/nfs/dbraw/zinc/36/45/41/186364541.db2.gz	UXUGXOJMHKYYBO-CQSZACIVSA-N	0	3	291.366	2.028	10	30		CEEEHN
C[C@H](CC(=O)Nc1cccc(C#CCN)n1)C(C)(C)C	ZINC000111653404	186437170	/nfs/dbraw/zinc/43/71/70/186437170.db2.gz	SOVHUSIJEUXITM-GFCCVEGCSA-N	0	3	273.380	2.403	10	30		CEEEHN
C=CCC[C@@H](CN1CCCOCC1)Oc1ncc(F)cn1	ZINC000072432151	363136360	/nfs/dbraw/zinc/13/63/60/363136360.db2.gz	MEFAKQHNFHZGJU-AWEZNQCLSA-N	0	3	295.358	2.052	10	30		CEEEHN
C=CCC[C@@H](O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000132305341	366133415	/nfs/dbraw/zinc/13/34/15/366133415.db2.gz	AOUQOTYJJDIDNJ-UONOGXRCSA-N	0	3	298.427	2.303	10	30		CEEEHN
C=CCC(CC=C)C(=O)N1C[C@H]2CCCN2C[C@H]1C	ZINC000133536849	366234378	/nfs/dbraw/zinc/23/43/78/366234378.db2.gz	ZWHSHYDGMNVFJT-UKRRQHHQSA-N	0	3	262.397	2.450	10	30		CEEEHN
CC(C)N1C[C@H](NC(=O)c2cc(C#N)cs2)[C@@H](C)C1	ZINC000177140300	189031629	/nfs/dbraw/zinc/03/16/29/189031629.db2.gz	IJPOYWPZPGMLLN-JQWIXIFHSA-N	0	3	277.393	2.078	10	30		CEEEHN
C=CCCC[C@H](C)NC(=O)N1CCN2CCC[C@H]2C1	ZINC000245939488	370891491	/nfs/dbraw/zinc/89/14/91/370891491.db2.gz	UOHKPAFKTXWBFI-KBPBESRZSA-N	0	3	265.401	2.221	10	30		CEEEHN
CCOCCN1CCN(CCCSCC#N)C[C@@H]1CC	ZINC000173885476	367954265	/nfs/dbraw/zinc/95/42/65/367954265.db2.gz	RZNFVUYYQLSXOH-HNNXBMFYSA-N	0	3	299.484	2.066	10	30		CEEEHN
C=CCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000190617194	369639143	/nfs/dbraw/zinc/63/91/43/369639143.db2.gz	XXVSZKKXEORMJW-INIZCTEOSA-N	0	3	287.407	2.328	10	30		CEEEHN
C[C@H]1CC(CNCc2nc(C#N)cs2)C[C@H](C)O1	ZINC000352893377	369937019	/nfs/dbraw/zinc/93/70/19/369937019.db2.gz	LNKOXSNXMMRFNK-UWVGGRQHSA-N	0	3	265.382	2.308	10	30		CEEEHN
N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2CO)c(F)c1	ZINC000227597799	370374264	/nfs/dbraw/zinc/37/42/64/370374264.db2.gz	RIJSKROUPSWSGS-UKRRQHHQSA-N	0	3	262.328	2.338	10	30		CEEEHN
CC1(C)C(NC(=O)c2sccc2C#CCN)C1(C)C	ZINC000092832582	184629765	/nfs/dbraw/zinc/62/97/65/184629765.db2.gz	BRLHKBKLUMLWKP-UHFFFAOYSA-N	0	3	276.405	2.223	10	30		CEEEHN
Cc1ncccc1C(=O)Nc1ccc(C#CCN)c(F)c1	ZINC000094649404	184835012	/nfs/dbraw/zinc/83/50/12/184835012.db2.gz	QXRLKBZRZFUUCU-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1	ZINC000048769489	394528871	/nfs/dbraw/zinc/52/88/71/394528871.db2.gz	JIBKJAFTVNGVIW-CQSZACIVSA-N	0	3	272.352	2.164	10	30		CEEEHN
COc1ccc2cc(C(C)=NNC(=N)N)ccc2c1	ZINC000007929812	170308186	/nfs/dbraw/zinc/30/81/86/170308186.db2.gz	LLCOGTWADJOWEM-RQZCQDPDSA-N	0	3	256.309	2.055	10	30		CEEEHN
CN(C)CCN[C@@H](C#N)c1ccc(Br)cc1	ZINC000020176263	171042480	/nfs/dbraw/zinc/04/24/80/171042480.db2.gz	SDEUSIQBWVXFJC-LBPRGKRZSA-N	0	3	282.185	2.165	10	30		CEEEHN
C#CCN1CCC(Nc2ccccc2COC)CC1	ZINC000037275019	173087421	/nfs/dbraw/zinc/08/74/21/173087421.db2.gz	VKQZLTLNWQVTQE-UHFFFAOYSA-N	0	3	258.365	2.343	10	30		CEEEHN
CC[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1	ZINC000037386987	173170836	/nfs/dbraw/zinc/17/08/36/173170836.db2.gz	MGGJQVRFGSVZIR-CYBMUJFWSA-N	0	3	259.353	2.321	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)NCc1cc2c(s1)CCC2	ZINC000040627573	174357067	/nfs/dbraw/zinc/35/70/67/174357067.db2.gz	RQXQSCMKURYBMS-SNVBAGLBSA-N	0	3	264.394	2.017	10	30		CEEEHN
CCOC1CCN(Cc2ccc(C#CCO)s2)CC1	ZINC000043678040	175088979	/nfs/dbraw/zinc/08/89/79/175088979.db2.gz	SFINVNAXHDAVLO-UHFFFAOYSA-N	0	3	279.405	2.093	10	30		CEEEHN
CN(Cc1ccc(C#CCN)s1)Cc1ccncc1	ZINC000043683739	175091812	/nfs/dbraw/zinc/09/18/12/175091812.db2.gz	QBECSRBWZRJJEK-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
CN(Cc1cscn1)Cc1sccc1C#CCN	ZINC000043684272	175093141	/nfs/dbraw/zinc/09/31/41/175093141.db2.gz	YEVVDHMIISHXTH-UHFFFAOYSA-N	0	3	277.418	2.147	10	30		CEEEHN
C[C@H](CN1CCCC1)NC(=O)C1(C#N)CCCCCC1	ZINC000044766522	175249441	/nfs/dbraw/zinc/24/94/41/175249441.db2.gz	DZJUANPANLLAIE-CQSZACIVSA-N	0	3	277.412	2.451	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCC[C@@H]1CCO	ZINC000044811811	175258073	/nfs/dbraw/zinc/25/80/73/175258073.db2.gz	ZIKCKSAWBRUKDD-JKSUJKDBSA-N	0	3	286.375	2.132	10	30		CEEEHN
CCCC(C#N)(CCC)C(=O)NC[C@@H](C)N(C)C	ZINC000045109500	175309545	/nfs/dbraw/zinc/30/95/45/175309545.db2.gz	JHBFUFJZBTZCEO-GFCCVEGCSA-N	0	3	253.390	2.163	10	30		CEEEHN
CCCN1CCN(CCC[C@](C)(C#N)NC(C)C)CC1	ZINC000045306448	175355777	/nfs/dbraw/zinc/35/57/77/175355777.db2.gz	XQGORJLFEKYHLH-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
C#CCOc1ccc(Cl)cc1CNCCN(C)C	ZINC000045946502	175387931	/nfs/dbraw/zinc/38/79/31/175387931.db2.gz	FLMYGYGPWRPWLQ-UHFFFAOYSA-N	0	3	266.772	2.003	10	30		CEEEHN
CCCC1CCN(C(=O)c2cncc(C#CCN)c2)CC1	ZINC000050907106	175519906	/nfs/dbraw/zinc/51/99/06/175519906.db2.gz	NPVKIEUKFQZMFB-UHFFFAOYSA-N	0	3	285.391	2.044	10	30		CEEEHN
C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000071211005	176083482	/nfs/dbraw/zinc/08/34/82/176083482.db2.gz	BTZDGBHXJDAJIQ-ABAIWWIYSA-N	0	3	274.339	2.054	10	30		CEEEHN
CC[C@H](N)[C@@H](c1ccc(C)o1)N(CCC#N)CCOC	ZINC000071222677	176088092	/nfs/dbraw/zinc/08/80/92/176088092.db2.gz	LSHFVUMDHZARJR-ZFWWWQNUSA-N	0	3	279.384	2.229	10	30		CEEEHN
Cc1ccc(N2CCCCCC2=O)c(C#CCN)c1	ZINC000071278320	176107742	/nfs/dbraw/zinc/10/77/42/176107742.db2.gz	KWANRROKOKPJRQ-UHFFFAOYSA-N	0	3	256.349	2.212	10	30		CEEEHN
COc1ccc(Cl)cc1C1(C#N)CCNCC1	ZINC000071572827	176198747	/nfs/dbraw/zinc/19/87/47/176198747.db2.gz	KBFAAUYXYCIUQX-UHFFFAOYSA-N	0	3	250.729	2.493	10	30		CEEEHN
CN(C)[C@]1(CNC(=O)[C@]2(C)CCCNC2=O)CCSC1	ZINC000330303652	228121000	/nfs/dbraw/zinc/12/10/00/228121000.db2.gz	JZMBMKCMYMEALU-KGLIPLIRSA-N	0	3	299.440	2.137	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2sccc2C#N)C1	ZINC000247483867	280331098	/nfs/dbraw/zinc/33/10/98/280331098.db2.gz	WIJXAYHDDOSZQM-ZYHUDNBSSA-N	0	3	277.393	2.078	10	30		CEEEHN
C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000246394683	290221745	/nfs/dbraw/zinc/22/17/45/290221745.db2.gz	JBTQQHXEGHDWOE-IIDMSEBBSA-N	0	3	299.418	2.272	10	30		CEEEHN
O=C(N[C@@H]1CCCC[C@@H]1O)C1CCN(C2CC2)CC1	ZINC000329841257	295379706	/nfs/dbraw/zinc/37/97/06/295379706.db2.gz	JZMWBAVPNXJHJK-KGLIPLIRSA-N	0	3	266.385	2.121	10	30		CEEEHN
N#Cc1ccc(NC[C@H](O)CN2CCCCC2)cc1Cl	ZINC000174684876	534795041	/nfs/dbraw/zinc/79/50/41/534795041.db2.gz	JMPBNAAYMMXYFP-AWEZNQCLSA-N	0	3	293.798	2.470	10	30		CEEEHN
CC(C#N)S(=O)(=O)c1cccc(Br)c1	ZINC000055308254	526239282	/nfs/dbraw/zinc/23/92/82/526239282.db2.gz	BOPWUWCKZOJUMD-ZETCQYMHSA-N	0	3	274.139	2.135	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCCC(F)(F)F	ZINC000063101059	526495652	/nfs/dbraw/zinc/49/56/52/526495652.db2.gz	QAGSZBPBIZPZNE-LLVKDONJSA-N	0	3	270.254	2.437	10	30		CEEEHN
CN(C)C[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1	ZINC000175952206	623371770	/nfs/dbraw/zinc/37/17/70/623371770.db2.gz	JKTUDFGJZAZBOU-GOSISDBHSA-N	0	3	292.382	2.457	10	30		CEEEHN
C#C[C@@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000185987839	642054929	/nfs/dbraw/zinc/05/49/29/642054929.db2.gz	BGGVQTDJWDJCLX-NVXWUHKLSA-N	0	3	299.418	2.362	10	30		CEEEHN
CSC[C@@H](C)CNC(=O)C(C#N)Cc1ccccc1	ZINC000083412395	178420190	/nfs/dbraw/zinc/42/01/90/178420190.db2.gz	XISDOECVHFXDBX-GXTWGEPZSA-N	0	3	276.405	2.484	10	30		CEEEHN
Brc1cncc2[nH]cc(C#CCNC3CC3)c21	ZINC000725245978	539191787	/nfs/dbraw/zinc/19/17/87/539191787.db2.gz	NQYKSEWHDCGMQZ-UHFFFAOYSA-N	0	3	290.164	2.429	10	30		CEEEHN
CCC[C@@H]1C[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000300589970	344700701	/nfs/dbraw/zinc/70/07/01/344700701.db2.gz	TZGJBBXLYPKZLJ-HIFRSBDPSA-N	0	3	292.404	2.110	10	30		CEEEHN
CN1CCC(Oc2ccnc(Cl)c2C#N)CC1	ZINC000584624640	344968261	/nfs/dbraw/zinc/96/82/61/344968261.db2.gz	ZELBKYXTEUYPNV-UHFFFAOYSA-N	0	3	251.717	2.080	10	30		CEEEHN
Cc1ccc(C#N)c(NCc2ccc3c(c2)CNC3)n1	ZINC000097829759	232186793	/nfs/dbraw/zinc/18/67/93/232186793.db2.gz	TUJCXRBMVBQZOP-UHFFFAOYSA-N	0	3	264.332	2.477	10	30		CEEEHN
CC[C@H]1CN(C(=O)C#Cc2ccccc2)[C@@H](CC)CN1	ZINC000086447910	179295413	/nfs/dbraw/zinc/29/54/13/179295413.db2.gz	JCYPNOORVQDPLH-HOTGVXAUSA-N	0	3	270.376	2.027	10	30		CEEEHN
N#C[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[C@@H]1CO	ZINC000089497374	179804590	/nfs/dbraw/zinc/80/45/90/179804590.db2.gz	LTFWBLUDLSUOAS-XQLPTFJDSA-N	0	3	250.386	2.457	10	30		CEEEHN
Cc1ncccc1NC(=O)c1ccc(F)cc1C#CCN	ZINC000091497946	180173217	/nfs/dbraw/zinc/17/32/17/180173217.db2.gz	BSMPFHDFWRARSD-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCc1ccc(C(=O)Nc2ccccc2C#CCN)o1	ZINC000091775618	180251920	/nfs/dbraw/zinc/25/19/20/180251920.db2.gz	XSQDVTLXPYTFSL-UHFFFAOYSA-N	0	3	268.316	2.405	10	30		CEEEHN
Cc1cc(NC(=O)N2CCCCC2)ccc1C#CCN	ZINC000091969675	180295238	/nfs/dbraw/zinc/29/52/38/180295238.db2.gz	BHQWQYLZSREVHP-UHFFFAOYSA-N	0	3	271.364	2.323	10	30		CEEEHN
Cc1c(C#CCN)cccc1C(=O)N1C[C@@H](C)[C@H](C)C1	ZINC000092112285	180327571	/nfs/dbraw/zinc/32/75/71/180327571.db2.gz	YVJJQCVVXBPLGO-CHWSQXEVSA-N	0	3	270.376	2.033	10	30		CEEEHN
C=C(Cl)CN(C)C1CCN(CCn2cccn2)CC1	ZINC000105915924	186089325	/nfs/dbraw/zinc/08/93/25/186089325.db2.gz	RSGOOEKWKQQLPN-UHFFFAOYSA-N	0	3	282.819	2.032	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](c1cccs1)C(C)C	ZINC000105996647	186096709	/nfs/dbraw/zinc/09/67/09/186096709.db2.gz	MRQGBZUDCDAXKL-CYBMUJFWSA-N	0	3	252.383	2.337	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1cccc(OC(F)F)c1	ZINC000092473820	180392902	/nfs/dbraw/zinc/39/29/02/180392902.db2.gz	TUFLXBIYEAJHFK-SNVBAGLBSA-N	0	3	284.306	2.241	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1cccc(Br)c1	ZINC000092473744	180392999	/nfs/dbraw/zinc/39/29/99/180392999.db2.gz	NMXPQDHSJKDDFL-JTQLQIEISA-N	0	3	297.196	2.402	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@H](C(C)(C)C)CC1	ZINC000092476117	180393608	/nfs/dbraw/zinc/39/36/08/180393608.db2.gz	NVHZMTDNCMFAPV-ZDUSSCGKSA-N	0	3	252.402	2.437	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2cccc(C#CCN)c2)CC1	ZINC000110817757	186327224	/nfs/dbraw/zinc/32/72/24/186327224.db2.gz	BJMOYPLHFLSQOV-CQSZACIVSA-N	0	3	270.376	2.259	10	30		CEEEHN
NCC#Cc1ccccc1COc1ccccc1CO	ZINC000110994482	186340865	/nfs/dbraw/zinc/34/08/65/186340865.db2.gz	IDJFHESCZAHPTO-UHFFFAOYSA-N	0	3	267.328	2.068	10	30		CEEEHN
CCCOCCOCc1ccc(F)c(C#CCN)c1	ZINC000111109714	186353372	/nfs/dbraw/zinc/35/33/72/186353372.db2.gz	MRKKJSISJFGRFK-UHFFFAOYSA-N	0	3	265.328	2.079	10	30		CEEEHN
CCOCCN(CC)Cc1ccc(F)cc1C#CCO	ZINC000111121113	186354508	/nfs/dbraw/zinc/35/45/08/186354508.db2.gz	OXWIXAPKJJQKGK-UHFFFAOYSA-N	0	3	279.355	2.028	10	30		CEEEHN
N#CCC[C@H](C#N)CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000337316908	366141531	/nfs/dbraw/zinc/14/15/31/366141531.db2.gz	YRWWNEIHBDFNGL-FPCVCCKLSA-N	0	3	275.396	2.445	10	30		CEEEHN
N#Cc1ccc(-c2cnn3c2CNCC3)cc1Cl	ZINC000675076561	540117974	/nfs/dbraw/zinc/11/79/74/540117974.db2.gz	OWUJIECBXABCLK-UHFFFAOYSA-N	0	3	258.712	2.178	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)C1(C#N)CCCC1	ZINC000092630793	364089900	/nfs/dbraw/zinc/08/99/00/364089900.db2.gz	CYDSADYJZXFTKE-ZDUSSCGKSA-N	0	3	263.385	2.013	10	30		CEEEHN
CCn1cnnc1[C@@H]1CCCN(CCCCC#N)C1	ZINC000102400672	364593563	/nfs/dbraw/zinc/59/35/63/364593563.db2.gz	QVVQZRUZYTXXLM-CYBMUJFWSA-N	0	3	261.373	2.171	10	30		CEEEHN
N#Cc1cccc(CN[C@H]2CCCN(c3cccnn3)C2)c1	ZINC000105802074	364703262	/nfs/dbraw/zinc/70/32/62/364703262.db2.gz	LHSIWEHZRJHVMM-INIZCTEOSA-N	0	3	293.374	2.107	10	30		CEEEHN
CN(C[C@H]1CCN(C)C1)c1nc(Cl)c(C#N)s1	ZINC000287862321	376330864	/nfs/dbraw/zinc/33/08/64/376330864.db2.gz	MEWVYKACFDRSDG-QMMMGPOBSA-N	0	3	270.789	2.056	10	30		CEEEHN
C=CCC(C)(C)CNCc1c(C)nn(C)c1OC	ZINC000293081298	377419323	/nfs/dbraw/zinc/41/93/23/377419323.db2.gz	WFYBEPLHGPMHTA-UHFFFAOYSA-N	0	3	251.374	2.429	10	30		CEEEHN
C=CCOCCN[C@H](C)c1c(C)nn(CC)c1C	ZINC000385555947	542369027	/nfs/dbraw/zinc/36/90/27/542369027.db2.gz	RUNJMVXMMZNLEB-LLVKDONJSA-N	0	3	251.374	2.373	10	30		CEEEHN
CCCCN(C(=O)c1csc(C#CCN)c1)C1CC1	ZINC000093975984	184747227	/nfs/dbraw/zinc/74/72/27/184747227.db2.gz	RHAYYBKRBQEUGM-UHFFFAOYSA-N	0	3	276.405	2.463	10	30		CEEEHN
CCC1(CC)CCN(C(=O)c2ccc(C#CCN)cn2)C1	ZINC000094808522	184869836	/nfs/dbraw/zinc/86/98/36/184869836.db2.gz	WTPDBIQFFJDUHF-UHFFFAOYSA-N	0	3	285.391	2.044	10	30		CEEEHN
N#Cc1cc(F)c(NC[C@H](O)CN2CCCCC2)c(F)c1	ZINC000174683577	395127328	/nfs/dbraw/zinc/12/73/28/395127328.db2.gz	DNZSNSHVSMVFPE-LBPRGKRZSA-N	0	3	295.333	2.095	10	30		CEEEHN
N#Cc1ccccc1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1	ZINC000398808118	395238259	/nfs/dbraw/zinc/23/82/59/395238259.db2.gz	UNCYWIKRTHMBSR-ARFHVFGLSA-N	0	3	256.349	2.151	10	30		CEEEHN
CCCOc1cccc([C@@H](C#N)NCCN(C)C)c1	ZINC000020176671	171042934	/nfs/dbraw/zinc/04/29/34/171042934.db2.gz	XOVFICWWHVFHAO-OAHLLOKOSA-N	0	3	261.369	2.191	10	30		CEEEHN
CC[C@H](C)CN(C)Cc1ccc(/C(N)=N/O)cc1F	ZINC000037173305	173007746	/nfs/dbraw/zinc/00/77/46/173007746.db2.gz	ZNSPXQYWSXZLNG-JTQLQIEISA-N	0	3	267.348	2.398	10	30		CEEEHN
COc1cc(C(C#N)C(=O)[C@@H]2CCCO2)ccc1C	ZINC000037347349	173143995	/nfs/dbraw/zinc/14/39/95/173143995.db2.gz	IOGPNLPKHPDVOD-STQMWFEESA-N	0	3	259.305	2.359	10	30		CEEEHN
CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000037508812	173243779	/nfs/dbraw/zinc/24/37/79/173243779.db2.gz	WFZXTYSKUHLHMB-RISCZKNCSA-N	0	3	259.353	2.109	10	30		CEEEHN
C#CCCOc1cc2c(cc1CNC(C)C)OCO2	ZINC000042874846	174900038	/nfs/dbraw/zinc/90/00/38/174900038.db2.gz	ZYAXKTAMDNCBQC-UHFFFAOYSA-N	0	3	261.321	2.315	10	30		CEEEHN
CCCN[C@H](c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000043301274	175002106	/nfs/dbraw/zinc/00/21/06/175002106.db2.gz	UBCBFIZXXJGMRT-HUUCEWRRSA-N	0	3	292.404	2.034	10	30		CEEEHN
NCC#Cc1ccsc1Cn1ccc(=O)c2ccccc21	ZINC000043684468	175092632	/nfs/dbraw/zinc/09/26/32/175092632.db2.gz	GNRNBAYTBUCPFC-UHFFFAOYSA-N	0	3	294.379	2.422	10	30		CEEEHN
NCC#Cc1ccsc1COC[C@H]1CCCCO1	ZINC000043685053	175093506	/nfs/dbraw/zinc/09/35/06/175093506.db2.gz	PXEVSKMAHSEFRM-CYBMUJFWSA-N	0	3	265.378	2.144	10	30		CEEEHN
CCN(Cc1cc(C#CCN)cs1)C[C@H](C)C#N	ZINC000043689086	175095972	/nfs/dbraw/zinc/09/59/72/175095972.db2.gz	MOGNZTOUOHPNOO-GFCCVEGCSA-N	0	3	261.394	2.040	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N[C@H](CN(C)C)C(C)C	ZINC000044766583	175249281	/nfs/dbraw/zinc/24/92/81/175249281.db2.gz	VXNCWIUEBJNRHN-GFCCVEGCSA-N	0	3	253.390	2.019	10	30		CEEEHN
CN(C[C@@H]1CCCO1)C(=O)C(C#N)Cc1ccccc1	ZINC000044824482	175259138	/nfs/dbraw/zinc/25/91/38/175259138.db2.gz	SSANITUTALOSOO-CABCVRRESA-N	0	3	272.348	2.006	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN(CCOC)CC(C)C	ZINC000045182035	175325356	/nfs/dbraw/zinc/32/53/56/175325356.db2.gz	UDHFZCCZIRJPIY-OAHLLOKOSA-N	0	3	269.433	2.263	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1ccccc1C#CCN	ZINC000050890993	175519971	/nfs/dbraw/zinc/51/99/71/175519971.db2.gz	IILIFRBNHYWHEG-ZDUSSCGKSA-N	0	3	258.365	2.305	10	30		CEEEHN
NCC#Cc1cc(F)ccc1N1CCCCCC1=O	ZINC000071278323	176107665	/nfs/dbraw/zinc/10/76/65/176107665.db2.gz	HIVOJTAYLNPZOC-UHFFFAOYSA-N	0	3	260.312	2.043	10	30		CEEEHN
N#Cc1ccc(F)c(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1	ZINC000398987045	270364719	/nfs/dbraw/zinc/36/47/19/270364719.db2.gz	FXIKAAMJKXRTBQ-KCQAQPDRSA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@H]1CN(c2cccc(Br)c2C#N)CCN1	ZINC000161815158	274595345	/nfs/dbraw/zinc/59/53/45/274595345.db2.gz	UOOCEHSTBHRFFO-VIFPVBQESA-N	0	3	280.169	2.119	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NCc2cc(C#N)cs2)C1	ZINC000247490898	280331375	/nfs/dbraw/zinc/33/13/75/280331375.db2.gz	WWDQAGKKPQRFJG-BXUZGUMPSA-N	0	3	263.410	2.438	10	30		CEEEHN
C[C@@H]1CN(c2c(F)cc(C#N)cc2F)[C@@H](C)CN1	ZINC000147793243	297076869	/nfs/dbraw/zinc/07/68/69/297076869.db2.gz	YJIWWPKTKSJUJZ-BDAKNGLRSA-N	0	3	251.280	2.023	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN1CCN([C@H](C)CC)CC1	ZINC000055069987	520102619	/nfs/dbraw/zinc/10/26/19/520102619.db2.gz	UXMHLNZMCGFMGU-CVEARBPZSA-N	0	3	280.460	2.074	10	30		CEEEHN
CC[C@@H](C)N1CCN(c2ccc(C#N)cc2N)CC1	ZINC000055066620	522134423	/nfs/dbraw/zinc/13/44/23/522134423.db2.gz	AWVIMLAWGGWYCI-GFCCVEGCSA-N	0	3	258.369	2.061	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)C[C@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616449	519735759	/nfs/dbraw/zinc/73/57/59/519735759.db2.gz	OXKHVWUEYBQLFK-GOEBONIOSA-N	0	3	280.460	2.071	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613184	520032495	/nfs/dbraw/zinc/03/24/95/520032495.db2.gz	HIYBRZDEMFDZRU-DOTOQJQBSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@H](C)N1CCN(C2CCCC2)CC1	ZINC000068614884	520131490	/nfs/dbraw/zinc/13/14/90/520131490.db2.gz	MWDNEQYUPAUWPX-DOTOQJQBSA-N	0	3	292.471	2.217	10	30		CEEEHN
CC[NH+](CC)CCOc1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000062789693	520696421	/nfs/dbraw/zinc/69/64/21/520696421.db2.gz	ZOPRHVAZXKJNPL-UHFFFAOYSA-N	0	3	285.775	2.155	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1sccc1C#CCN	ZINC000069461735	521301757	/nfs/dbraw/zinc/30/17/57/521301757.db2.gz	DVTDPCGIYZQOTI-UHFFFAOYSA-N	0	3	264.394	2.319	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C#CCN)cc1F	ZINC000049105838	522293109	/nfs/dbraw/zinc/29/31/09/522293109.db2.gz	RIKVLAQMRXQGFH-VXGBXAGGSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@H](C)N1CCN(CCC[C@](C)(C#N)NC(C)C)CC1	ZINC000055070158	523953158	/nfs/dbraw/zinc/95/31/58/523953158.db2.gz	UNZLFSIFHJTRMF-DLBZAZTESA-N	0	3	294.487	2.463	10	30		CEEEHN
CN1CC[C@H](Nc2cc(C#N)c3ccccc3n2)C1	ZINC000068770223	523989618	/nfs/dbraw/zinc/98/96/18/523989618.db2.gz	XBQDOHIKQIFHNF-LBPRGKRZSA-N	0	3	252.321	2.222	10	30		CEEEHN
Cc1cc(C)c(C#N)c(N2CCC[C@H]2CN(C)C)n1	ZINC000061645979	524213356	/nfs/dbraw/zinc/21/33/56/524213356.db2.gz	BGBRSSALOFFOFH-ZDUSSCGKSA-N	0	3	258.369	2.101	10	30		CEEEHN
C=CCC[C@H](O)CN(CCOC)Cc1cccc(OC)c1	ZINC000036100154	361827863	/nfs/dbraw/zinc/82/78/63/361827863.db2.gz	XFZCQMWZBJNDLF-INIZCTEOSA-N	0	3	293.407	2.471	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)C1(C#N)CC(C)C1	ZINC000126275337	365705373	/nfs/dbraw/zinc/70/53/73/365705373.db2.gz	CATSJWCRFXUYBH-JVWICGRDSA-N	0	3	265.401	2.019	10	30		CEEEHN
COc1cc([C@@H](C#N)CCN(C)C)cc(OC)c1OC	ZINC000034504538	343420151	/nfs/dbraw/zinc/42/01/51/343420151.db2.gz	ITUCQVABRZQPLR-LLVKDONJSA-N	0	3	278.352	2.271	10	30		CEEEHN
C#C[C@H](NC)c1cccc(I)c1	ZINC000130267175	344351541	/nfs/dbraw/zinc/35/15/41/344351541.db2.gz	VKQLYRJOUHHOFE-JTQLQIEISA-N	0	3	271.101	2.185	10	30		CEEEHN
C=C(Br)CN1CCCN2CCC[C@@H]2C1	ZINC000050033887	362391827	/nfs/dbraw/zinc/39/18/27/362391827.db2.gz	OLPKODHSPHOQTI-LLVKDONJSA-N	0	3	259.191	2.065	10	30		CEEEHN
C[C@H]1CN2CCCC[C@H]2CN1Cc1ccnc(C#N)c1	ZINC000251755339	344637452	/nfs/dbraw/zinc/63/74/52/344637452.db2.gz	LMXYIOCQBKUJEI-BBRMVZONSA-N	0	3	270.380	2.012	10	30		CEEEHN
CCC[C@@H]1C[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000300582430	344700512	/nfs/dbraw/zinc/70/05/12/344700512.db2.gz	LCXHDMYUCXGAFO-HIFRSBDPSA-N	0	3	292.404	2.110	10	30		CEEEHN
Cc1ccncc1NC(=O)NC[C@H]1CCc2nccn2C1	ZINC000328628944	344756286	/nfs/dbraw/zinc/75/62/86/344756286.db2.gz	OFRXKLMXIJJYRY-GFCCVEGCSA-N	0	3	285.351	2.175	10	30		CEEEHN
Cc1ccccc1NC(=NC#N)N1CCNC[C@H]1C(C)C	ZINC000584620661	344966870	/nfs/dbraw/zinc/96/68/70/344966870.db2.gz	QODQPVSVQSPAML-HNNXBMFYSA-N	0	3	285.395	2.174	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2cc(F)ccc2C#CCN)[C@@H]1C	ZINC000086081146	179227625	/nfs/dbraw/zinc/22/76/25/179227625.db2.gz	CVAKZXXMOYJEQX-HSMVNMDESA-N	0	3	288.366	2.300	10	30		CEEEHN
C=C(Br)COc1ccc(CNCC)nc1	ZINC000086790971	179334997	/nfs/dbraw/zinc/33/49/97/179334997.db2.gz	DGKHTJVQUKIYJU-UHFFFAOYSA-N	0	3	271.158	2.479	10	30		CEEEHN
COc1ccccc1N[C@@]1(C#N)CCCN(C)CC1	ZINC000086819712	179348223	/nfs/dbraw/zinc/34/82/23/179348223.db2.gz	SYLGXFRBFYZVSY-HNNXBMFYSA-N	0	3	259.353	2.485	10	30		CEEEHN
C=CCN(CC=C)c1cncc(CNCC(C)C)n1	ZINC000091418237	180150268	/nfs/dbraw/zinc/15/02/68/180150268.db2.gz	ZXSYXJDGGVTYKT-UHFFFAOYSA-N	0	3	260.385	2.401	10	30		CEEEHN
Cc1ccc(C#N)c(NC[C@H]2CN3CCC[C@@H]3CO2)c1	ZINC000091670597	180224063	/nfs/dbraw/zinc/22/40/63/180224063.db2.gz	KYCFMSZCDMBRNN-CABCVRRESA-N	0	3	271.364	2.142	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)N2CCCCCC2)cc1	ZINC000091971833	180295579	/nfs/dbraw/zinc/29/55/79/180295579.db2.gz	RNEZIVFOOWYCMJ-UHFFFAOYSA-N	0	3	285.391	2.082	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1	ZINC000092474601	180393904	/nfs/dbraw/zinc/39/39/04/180393904.db2.gz	SKFBZNZMLRTJPT-SNVBAGLBSA-N	0	3	268.307	2.260	10	30		CEEEHN
C=CCNCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2	ZINC000092474703	180393933	/nfs/dbraw/zinc/39/39/33/180393933.db2.gz	JVNJWVZAFYGUNO-UHFFFAOYSA-N	0	3	276.424	2.437	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccc(SC)cc1	ZINC000092473943	180394195	/nfs/dbraw/zinc/39/41/95/180394195.db2.gz	ADEWQEKZTSYNAB-NSHDSACASA-N	0	3	264.394	2.361	10	30		CEEEHN
C=CCNCC(=O)NCc1ccccc1C(F)(F)F	ZINC000092475756	180394204	/nfs/dbraw/zinc/39/42/04/180394204.db2.gz	XJXSQQOZQQEILR-UHFFFAOYSA-N	0	3	272.270	2.097	10	30		CEEEHN
NCC#Cc1ccc(CSc2cnccn2)s1	ZINC000110914132	186332906	/nfs/dbraw/zinc/33/29/06/186332906.db2.gz	LSEDSGOQYRTJDP-UHFFFAOYSA-N	0	3	261.375	2.141	10	30		CEEEHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C#N)cs1	ZINC000177116897	189030000	/nfs/dbraw/zinc/03/00/00/189030000.db2.gz	HHWDDTPNVMXVIA-QWHCGFSZSA-N	0	3	289.404	2.319	10	30		CEEEHN
Cc1cc(N[C@H]2CCN(C(C)C)C2)c(C#N)c(C)n1	ZINC000301786000	201195375	/nfs/dbraw/zinc/19/53/75/201195375.db2.gz	PASSOXYLIZZELS-ZDUSSCGKSA-N	0	3	258.369	2.465	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C#N)cc1	ZINC000092630762	364090709	/nfs/dbraw/zinc/09/07/09/364090709.db2.gz	SHJUTVBSHSGZGE-OAHLLOKOSA-N	0	3	271.364	2.115	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C	ZINC000094460715	364276118	/nfs/dbraw/zinc/27/61/18/364276118.db2.gz	RQJVQGYXUGEAMS-STQMWFEESA-N	0	3	263.385	2.011	10	30		CEEEHN
Cc1cc(C#N)cc(N2C[C@H]3CCCCN3C[C@@H]2C)n1	ZINC000161093756	367056733	/nfs/dbraw/zinc/05/67/33/367056733.db2.gz	OKRULNDUFUXAPS-DZGCQCFKSA-N	0	3	270.380	2.325	10	30		CEEEHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@H]1C)C(C)C	ZINC000246151209	370915815	/nfs/dbraw/zinc/91/58/15/370915815.db2.gz	SYPHLZYVAJQXRV-QLFBSQMISA-N	0	3	279.428	2.393	10	30		CEEEHN
CCN1CC[C@H](Nc2c(C#N)nnc3ccccc32)C1	ZINC000389126200	375298265	/nfs/dbraw/zinc/29/82/65/375298265.db2.gz	DCXWDHLTIFZECP-NSHDSACASA-N	0	3	267.336	2.008	10	30		CEEEHN
C/C(=N\OCC(=O)OCCN(C)C)c1ccc(Cl)cc1	ZINC000038807192	394499179	/nfs/dbraw/zinc/49/91/79/394499179.db2.gz	TXUGZLRUFAAHAO-LFIBNONCSA-N	0	3	298.770	2.185	10	30	in-man	CEEEHN
C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCN1	ZINC000052783380	394558288	/nfs/dbraw/zinc/55/82/88/394558288.db2.gz	RCJGRDLUAPGJAC-VIFPVBQESA-N	0	3	269.270	2.375	10	30		CEEEHN
CCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C#N)C1	ZINC000413566371	394586005	/nfs/dbraw/zinc/58/60/05/394586005.db2.gz	JBFPDOATBWJXHI-LBPRGKRZSA-N	0	3	274.324	2.281	10	30		CEEEHN
CCN(CC)S(=O)(=O)c1ccc(C)c(/N=C/N(C)C)c1	ZINC000005943790	170159927	/nfs/dbraw/zinc/15/99/27/170159927.db2.gz	FKSVEKPLRFAESL-RVDMUPIBSA-N	0	3	297.424	2.247	10	30		CEEEHN
C=CCOc1ccc(CN(C)C(=O)CNC(C)C)cc1	ZINC000037495713	173234792	/nfs/dbraw/zinc/23/47/92/173234792.db2.gz	NDEUBUJMNMQFSZ-UHFFFAOYSA-N	0	3	276.380	2.208	10	30		CEEEHN
NCC#Cc1cnc(NC(=O)c2ccc(Cl)cc2)s1	ZINC000037550676	173268885	/nfs/dbraw/zinc/26/88/85/173268885.db2.gz	DTIUYKMFVTTXBX-UHFFFAOYSA-N	0	3	291.763	2.359	10	30		CEEEHN
CCCCN(C(=O)c1cncc(C#CCN)c1)[C@H](C)CC	ZINC000042613218	174825872	/nfs/dbraw/zinc/82/58/72/174825872.db2.gz	DVTHRDSJUQLDME-CQSZACIVSA-N	0	3	287.407	2.433	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCSCC1	ZINC000044824341	175259395	/nfs/dbraw/zinc/25/93/95/175259395.db2.gz	CCRJSANSHDNWFK-AWEZNQCLSA-N	0	3	274.389	2.334	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN(C)C[C@@H]1CCCCO1	ZINC000045181886	175324996	/nfs/dbraw/zinc/32/49/96/175324996.db2.gz	OFECKOZMRNYXAG-GJZGRUSLSA-N	0	3	267.417	2.159	10	30		CEEEHN
COCCN(CC[C@](C)(C#N)NC(C)C)CC(C)C	ZINC000045182039	175325387	/nfs/dbraw/zinc/32/53/87/175325387.db2.gz	WKUVXRVZEAKFHH-OAHLLOKOSA-N	0	3	269.433	2.261	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCCN1CCN(CC)CC1	ZINC000045306537	175355394	/nfs/dbraw/zinc/35/53/94/175355394.db2.gz	SBZTYLODVIAOPI-MRXNPFEDSA-N	0	3	280.460	2.076	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCCN1CCN(CCC)CC1	ZINC000045306468	175355836	/nfs/dbraw/zinc/35/58/36/175355836.db2.gz	MRIZNAFTFGTWLO-QGZVFWFLSA-N	0	3	294.487	2.466	10	30		CEEEHN
CCC[C@H](C)C(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049586579	175489672	/nfs/dbraw/zinc/48/96/72/175489672.db2.gz	AKMGKOMHOPTGGQ-AWEZNQCLSA-N	0	3	272.392	2.391	10	30		CEEEHN
COCCN(CCC#N)[C@@H](CN)c1ccccc1Cl	ZINC000071222333	176087763	/nfs/dbraw/zinc/08/77/63/176087763.db2.gz	CCDLQBWAXNZSJV-AWEZNQCLSA-N	0	3	281.787	2.202	10	30		CEEEHN
C[C@@H](c1ccc(C#CCN)cc1)N1CCCCCC1=O	ZINC000071278325	176107879	/nfs/dbraw/zinc/10/78/79/176107879.db2.gz	GIAVFEYHGIVZRR-AWEZNQCLSA-N	0	3	270.376	2.460	10	30		CEEEHN
Cc1ccccc1[C@H](C)NCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000123189522	268005354	/nfs/dbraw/zinc/00/53/54/268005354.db2.gz	BEGOIELYDUKUFR-GUYCJALGSA-N	0	3	285.391	2.454	10	30		CEEEHN
CCNC(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000061298803	519907842	/nfs/dbraw/zinc/90/78/42/519907842.db2.gz	SBVJEQFDHXOTGF-UHFFFAOYSA-N	0	3	277.393	2.435	10	30		CEEEHN
CCCO[C@H]1CCCN(CC[C@@H](C#N)NC(C)C)C1	ZINC000062437893	520284776	/nfs/dbraw/zinc/28/47/76/520284776.db2.gz	GFHXPYGEENLAPK-GJZGRUSLSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCOc1cccc(CNCCOC)c1O[C@H](C)C#N	ZINC000062732808	521362850	/nfs/dbraw/zinc/36/28/50/521362850.db2.gz	OBULQWUYVUZGCD-GFCCVEGCSA-N	0	3	278.352	2.112	10	30		CEEEHN
CNCc1cccc(OC)c1OCc1ccnc(C#N)c1	ZINC000068749580	522130193	/nfs/dbraw/zinc/13/01/93/522130193.db2.gz	FYMCAGBZNFPESH-UHFFFAOYSA-N	0	3	283.331	2.260	10	30		CEEEHN
CN[C@@H]1COc2cc(OCc3ccnc(C#N)c3)ccc21	ZINC000068750810	522401165	/nfs/dbraw/zinc/40/11/65/522401165.db2.gz	PFQVIBQFFIIEDD-OAHLLOKOSA-N	0	3	281.315	2.185	10	30		CEEEHN
N#Cc1cc(NC(=O)[C@H](CN)c2ccccc2)ccc1F	ZINC000061613343	526568514	/nfs/dbraw/zinc/56/85/14/526568514.db2.gz	CDQYYTNYPRRFJR-CQSZACIVSA-N	0	3	283.306	2.378	10	30		CEEEHN
CCO[C@H]1C[C@H](NCC2(C#N)CCC2)C12CCOCC2	ZINC000333733872	528139941	/nfs/dbraw/zinc/13/99/41/528139941.db2.gz	UNAMVGRUEDWDMK-KBPBESRZSA-N	0	3	278.396	2.244	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C#N)cc1C	ZINC000127222351	187290498	/nfs/dbraw/zinc/29/04/98/187290498.db2.gz	GHRIZBBYMIUBEO-HNNXBMFYSA-N	0	3	285.391	2.423	10	30		CEEEHN
CCCCCCCCCC[S@](=O)C[C@@H](N)CO	ZINC000584621204	344967333	/nfs/dbraw/zinc/96/73/33/344967333.db2.gz	QHUGVXOVVPYWEC-GUYCJALGSA-N	0	3	263.447	2.195	10	30		CEEEHN
C[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CCCC1	ZINC000594432801	345628778	/nfs/dbraw/zinc/62/87/78/345628778.db2.gz	BWKMLGCWRCLMCB-DGCLKSJQSA-N	0	3	251.374	2.093	10	30		CEEEHN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCO[C@H](C(F)(F)F)C1	ZINC000336787712	365807336	/nfs/dbraw/zinc/80/73/36/365807336.db2.gz	MMDDBPNFNACVIQ-NAKRPEOUSA-N	0	3	262.275	2.378	10	30		CEEEHN
Cc1nc(N2CCN3CCC[C@@H]3C2)c(Cl)cc1C#N	ZINC000336816234	365859469	/nfs/dbraw/zinc/85/94/69/365859469.db2.gz	LBMFYVUURQFDDN-GFCCVEGCSA-N	0	3	276.771	2.200	10	30		CEEEHN
CCN1CCC[C@@H](Nc2c(C#N)nnc3ccccc32)C1	ZINC000085920130	179199447	/nfs/dbraw/zinc/19/94/47/179199447.db2.gz	VDMQNVLFIXZBDY-GFCCVEGCSA-N	0	3	281.363	2.398	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2ccc(F)cc2C#CCN)CC[C@@H]1C	ZINC000086081141	179227363	/nfs/dbraw/zinc/22/73/63/179227363.db2.gz	KWKLFJHTTHVLGF-HWWQOWPSSA-N	0	3	288.366	2.300	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C#CCN)ccc1C	ZINC000087748153	179480312	/nfs/dbraw/zinc/48/03/12/179480312.db2.gz	JGZSJXKCJWASQC-TZMCWYRMSA-N	0	3	272.392	2.470	10	30		CEEEHN
C[C@@H]1CCC[C@H](N(C)C(=O)c2ccncc2C#CCN)C1	ZINC000091462026	180161825	/nfs/dbraw/zinc/16/18/25/180161825.db2.gz	UDVWCARLFMYWAA-HIFRSBDPSA-N	0	3	285.391	2.043	10	30		CEEEHN
C[C@H]1CCC[C@H](N(C)C(=O)c2ccncc2C#CCN)C1	ZINC000091462029	180162032	/nfs/dbraw/zinc/16/20/32/180162032.db2.gz	UDVWCARLFMYWAA-ZFWWWQNUSA-N	0	3	285.391	2.043	10	30		CEEEHN
C[C@H](NC(=O)c1ccncc1C#CCN)C1CCCCC1	ZINC000091462982	180162550	/nfs/dbraw/zinc/16/25/50/180162550.db2.gz	IGFHPMBVAOOUSS-ZDUSSCGKSA-N	0	3	285.391	2.090	10	30		CEEEHN
CN1CCC[C@](O)([C@]2(C#N)CCOc3ccccc32)CC1	ZINC000091888258	180280655	/nfs/dbraw/zinc/28/06/55/180280655.db2.gz	NBWPOYXLIOBWEY-DLBZAZTESA-N	0	3	286.375	2.077	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)N2CCCCCC2)c1	ZINC000091971825	180295709	/nfs/dbraw/zinc/29/57/09/180295709.db2.gz	MTRZUSSJQHTRNK-UHFFFAOYSA-N	0	3	271.364	2.405	10	30		CEEEHN
C=CCNCC(=O)N[C@H]1CCSc2ccccc21	ZINC000092473698	180392789	/nfs/dbraw/zinc/39/27/89/180392789.db2.gz	MVCABGAEOQXJLX-LBPRGKRZSA-N	0	3	262.378	2.115	10	30		CEEEHN
C=CCNCC(=O)N(CC)Cc1ccc(F)c(F)c1	ZINC000092474860	180394162	/nfs/dbraw/zinc/39/41/62/180394162.db2.gz	UYUQIAASVATHMT-UHFFFAOYSA-N	0	3	268.307	2.089	10	30		CEEEHN
C=CCNCC(=O)N1CCC(c2ccccc2)CC1	ZINC000092474608	180394221	/nfs/dbraw/zinc/39/42/21/180394221.db2.gz	IPYXRAYNMNWWCS-UHFFFAOYSA-N	0	3	258.365	2.168	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccccc2C#CCN)CC1	ZINC000110817753	186327701	/nfs/dbraw/zinc/32/77/01/186327701.db2.gz	YYLNRGBZWFFLDK-AWEZNQCLSA-N	0	3	270.376	2.259	10	30		CEEEHN
CC[C@H]1CN(CCOc2ccc(CC#N)cc2)CCN1C	ZINC000110718885	186316093	/nfs/dbraw/zinc/31/60/93/186316093.db2.gz	HFRFITFHKKQSHG-INIZCTEOSA-N	0	3	287.407	2.157	10	30		CEEEHN
N#Cc1ccc(C(F)(F)F)nc1N1CCN2CCC[C@H]2C1	ZINC000246895833	283136084	/nfs/dbraw/zinc/13/60/84/283136084.db2.gz	UXEZJSJWJUJKJV-NSHDSACASA-N	0	3	296.296	2.256	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(-n2ccnc2)c1	ZINC000180677480	189269789	/nfs/dbraw/zinc/26/97/89/189269789.db2.gz	AJAYHIBSSXYSML-ZIAGYGMSSA-N	0	3	298.390	2.214	10	30		CEEEHN
C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccnc(C#N)c1	ZINC000094446070	364275231	/nfs/dbraw/zinc/27/52/31/364275231.db2.gz	LMXYIOCQBKUJEI-XJKSGUPXSA-N	0	3	270.380	2.012	10	30		CEEEHN
C=CCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000190617216	369639331	/nfs/dbraw/zinc/63/93/31/369639331.db2.gz	XXVSZKKXEORMJW-MRXNPFEDSA-N	0	3	287.407	2.328	10	30		CEEEHN
N#CCC[C@@H](C#N)CN1CCC(c2ccn[nH]2)CC1	ZINC000195512805	370135246	/nfs/dbraw/zinc/13/52/46/370135246.db2.gz	JGCMVYSZKIJOAC-LBPRGKRZSA-N	0	3	257.341	2.033	10	30		CEEEHN
CC(=O)c1ccc(C#N)cc1N1C[C@@H](C)[C@H](N(C)C)C1	ZINC000252747634	371475453	/nfs/dbraw/zinc/47/54/53/371475453.db2.gz	CUUJKCLALITJIQ-BDJLRTHQSA-N	0	3	271.364	2.147	10	30		CEEEHN
CCCN1CCN(CC[C@H]2CCC[C@@]2(C#N)NCC)CC1	ZINC000093552905	184690096	/nfs/dbraw/zinc/69/00/96/184690096.db2.gz	PKJDPLXLLVIDOG-SJORKVTESA-N	0	3	292.471	2.076	10	30		CEEEHN
COCCSCc1cc(F)cc(C#CCN)c1	ZINC000093994211	184749270	/nfs/dbraw/zinc/74/92/70/184749270.db2.gz	ZRALUSLLNRSGBM-UHFFFAOYSA-N	0	3	253.342	2.016	10	30		CEEEHN
CCN(C(=O)c1cc(C)c(C#CCN)s1)C(C)C	ZINC000094536336	184814224	/nfs/dbraw/zinc/81/42/24/184814224.db2.gz	BHTQVZGRHGYNIZ-UHFFFAOYSA-N	0	3	264.394	2.237	10	30		CEEEHN
CC[C@@H]1CN(CC(C)(C)CCC#N)CCN1C[C@@H](C)O	ZINC000120772545	394784419	/nfs/dbraw/zinc/78/44/19/394784419.db2.gz	DKCQCPRTSKFHKT-HUUCEWRRSA-N	0	3	281.444	2.093	10	30		CEEEHN
C[C@@H](N[C@@H](C)c1cccs1)C(=O)N(C)CCC#N	ZINC000192941264	395397333	/nfs/dbraw/zinc/39/73/33/395397333.db2.gz	NSHXQAVCIRUDOV-WDEREUQCSA-N	0	3	265.382	2.159	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@@H]1CCCc2ccccc21	ZINC000035179976	172033485	/nfs/dbraw/zinc/03/34/85/172033485.db2.gz	YUMVENNITHPYPA-IUODEOHRSA-N	0	3	258.365	2.344	10	30		CEEEHN
N#Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCCN1	ZINC000037015373	172874182	/nfs/dbraw/zinc/87/41/82/172874182.db2.gz	QWUXBZZLKIVAND-LLVKDONJSA-N	0	3	263.728	2.292	10	30		CEEEHN
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000037508806	173242980	/nfs/dbraw/zinc/24/29/80/173242980.db2.gz	IKGIUBGQIDHEDE-SUNKGSAMSA-N	0	3	259.353	2.109	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@H](CN)c1cccnc1	ZINC000043349276	175019106	/nfs/dbraw/zinc/01/91/06/175019106.db2.gz	YLEMIXPQJOBBFD-OAHLLOKOSA-N	0	3	269.304	2.041	10	30		CEEEHN
CCN(Cc1sccc1C#CCN)Cc1ccncc1	ZINC000043683874	175092236	/nfs/dbraw/zinc/09/22/36/175092236.db2.gz	PXGNGRRIAPDELI-UHFFFAOYSA-N	0	3	285.416	2.475	10	30		CEEEHN
CN(Cc1ccco1)Cc1cc(C#CCN)cs1	ZINC000043688910	175095731	/nfs/dbraw/zinc/09/57/31/175095731.db2.gz	BGHGTBYGOGKTPK-UHFFFAOYSA-N	0	3	260.362	2.283	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCc1ccncc1	ZINC000044813786	175258027	/nfs/dbraw/zinc/25/80/27/175258027.db2.gz	GJGMTRZQMNFWFJ-HNNXBMFYSA-N	0	3	265.316	2.080	10	30		CEEEHN
CC1(NC(=O)c2ccccc2C#CCN)CCCCC1	ZINC000045047650	175297118	/nfs/dbraw/zinc/29/71/18/175297118.db2.gz	CJJYBPNJNDQIEX-UHFFFAOYSA-N	0	3	270.376	2.449	10	30		CEEEHN
CCN(CC[C@@](C)(C#N)NC(C)C)C[C@@H]1CCCO1	ZINC000045182069	175325860	/nfs/dbraw/zinc/32/58/60/175325860.db2.gz	ZVQBCPGJBNMKJC-GJZGRUSLSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCCN1CCN(C(C)C)CC1	ZINC000045311509	175356535	/nfs/dbraw/zinc/35/65/35/175356535.db2.gz	CTBDKILOTJFMOT-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCCN1CCN(C(C)(C)C)CC1	ZINC000045318457	175359434	/nfs/dbraw/zinc/35/94/34/175359434.db2.gz	YHOJBEUICGLGCJ-QGZVFWFLSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCC[C@H](CC)NC(=O)c1ccccc1C#CCN	ZINC000050398574	175515784	/nfs/dbraw/zinc/51/57/84/175515784.db2.gz	SEKPFUOXUFZIFF-AWEZNQCLSA-N	0	3	258.365	2.305	10	30		CEEEHN
C#CCCNCc1ccc(OC)c(OC(F)F)c1	ZINC000070246009	175883812	/nfs/dbraw/zinc/88/38/12/175883812.db2.gz	VPHKZJWLPBFMJR-UHFFFAOYSA-N	0	3	255.264	2.410	10	30		CEEEHN
CN[C@@H](C)c1c(F)cccc1N(CCC#N)CCOC	ZINC000071226109	176089805	/nfs/dbraw/zinc/08/98/05/176089805.db2.gz	BBPPRAGUHDXYQW-LBPRGKRZSA-N	0	3	279.359	2.473	10	30		CEEEHN
COc1ccc(C#CCN)cc1Cn1cc(Cl)c(C)n1	ZINC000080014181	177595218	/nfs/dbraw/zinc/59/52/18/177595218.db2.gz	BAUNRZXLDDHWNJ-UHFFFAOYSA-N	0	3	289.766	2.212	10	30		CEEEHN
O=C(N[C@H]1CCN(C2CCCC2)C1)c1cnn2ccncc12	ZINC000329271499	227397802	/nfs/dbraw/zinc/39/78/02/227397802.db2.gz	ICSOMQQKWZYQFQ-LBPRGKRZSA-N	0	3	299.378	2.051	10	30		CEEEHN
COc1cccc(CC(=O)NC2CCN(C3CC3)CC2)n1	ZINC000330138248	228047557	/nfs/dbraw/zinc/04/75/57/228047557.db2.gz	VKELZPGOCBVOFH-UHFFFAOYSA-N	0	3	289.379	2.216	10	30		CEEEHN
CCOCCN1CCN(CCCC(C)(C)C#N)C[C@@H]1C	ZINC000174849360	261199697	/nfs/dbraw/zinc/19/96/97/261199697.db2.gz	LUGVHKPNSDPDDC-HNNXBMFYSA-N	0	3	281.444	2.359	10	30		CEEEHN
C[C@@H]1CN[C@@H](C)CN1c1c(F)cc(C#N)cc1F	ZINC000147793436	288328818	/nfs/dbraw/zinc/32/88/18/288328818.db2.gz	YJIWWPKTKSJUJZ-DTWKUNHWSA-N	0	3	251.280	2.023	10	30		CEEEHN
CC(C)(CCC#N)CN1CCC[C@@H](n2cncn2)C1	ZINC000179471372	329208781	/nfs/dbraw/zinc/20/87/81/329208781.db2.gz	MSEWLBHMHSVUQD-CYBMUJFWSA-N	0	3	261.373	2.245	10	30		CEEEHN
CN(CCN[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1	ZINC000386745945	336178050	/nfs/dbraw/zinc/17/80/50/336178050.db2.gz	ZPOYZFIWYNEOJP-HZPDHXFCSA-N	0	3	257.381	2.400	10	30		CEEEHN
CCCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C#N)c1	ZINC000050517051	519954189	/nfs/dbraw/zinc/95/41/89/519954189.db2.gz	KVLDZPBCKMKDSL-JTQLQIEISA-N	0	3	263.297	2.385	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N1CCC(COC)CC1	ZINC000068616633	520101936	/nfs/dbraw/zinc/10/19/36/520101936.db2.gz	JVWZDFSXZLXQGR-HOCLYGCPSA-N	0	3	281.444	2.405	10	30		CEEEHN
CC(C)(C)NCc1nccn1Cc1ccnc(C#N)c1	ZINC000068758469	518767595	/nfs/dbraw/zinc/76/75/95/518767595.db2.gz	ZJGNVKMRBSWILE-UHFFFAOYSA-N	0	3	269.352	2.086	10	30		CEEEHN
CCN(Cc1ccc(C#CCO)cc1F)CC1CC1	ZINC000069239027	521299178	/nfs/dbraw/zinc/29/91/78/521299178.db2.gz	BLDUQWSFYDLGFV-UHFFFAOYSA-N	0	3	261.340	2.401	10	30		CEEEHN
CNCc1cccc(OC)c1OCc1cccnc1C#N	ZINC000061656542	522130143	/nfs/dbraw/zinc/13/01/43/522130143.db2.gz	YOGXIESDTKPIPN-UHFFFAOYSA-N	0	3	283.331	2.260	10	30		CEEEHN
CC[C@@H]1CCC[C@@H](NC(=O)c2cncc(C#CCN)c2)C1	ZINC000068594063	523279773	/nfs/dbraw/zinc/27/97/73/523279773.db2.gz	FWUUZCZJJDKMDO-CZUORRHYSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC(C)(C)[C@@H](O)CNCc1cc(C#N)ccc1F	ZINC000324457041	640646661	/nfs/dbraw/zinc/64/66/61/640646661.db2.gz	XCXXAAOPLLCSOB-ZDUSSCGKSA-N	0	3	250.317	2.194	10	30		CEEEHN
C#CCOC[C@H](O)CN(CCC)Cc1ccc(F)cc1	ZINC000036095505	361827760	/nfs/dbraw/zinc/82/77/60/361827760.db2.gz	BOFJEWXFJGWRGB-MRXNPFEDSA-N	0	3	279.355	2.048	10	30		CEEEHN
CCCNC(=NN)c1cccc(Br)c1	ZINC000042035986	362056965	/nfs/dbraw/zinc/05/69/65/362056965.db2.gz	OORUTFDBAXMQNI-UHFFFAOYSA-N	0	3	256.147	2.069	10	30		CEEEHN
C#CCOc1ccc(Br)cc1[C@@H](C)N	ZINC000052066525	362463684	/nfs/dbraw/zinc/46/36/84/362463684.db2.gz	DTTTWEWZWYBFPX-MRVPVSSYSA-N	0	3	254.127	2.481	10	30		CEEEHN
Cc1cccc(NC(=O)N(C)C[C@@H]2CCc3nccn3C2)n1	ZINC000328645421	344758141	/nfs/dbraw/zinc/75/81/41/344758141.db2.gz	ZQKJKODDTIPZJT-ZDUSSCGKSA-N	0	3	299.378	2.326	10	30		CEEEHN
CN(C)CC#CCOC(=O)Nc1ccc(Cl)cc1	ZINC000584600892	344962283	/nfs/dbraw/zinc/96/22/83/344962283.db2.gz	NQEUDYZVOSZWNO-UHFFFAOYSA-N	0	3	266.728	2.454	10	30		CEEEHN
N#Cc1cccc(Cl)c1NC[C@@H](O)CN1CCCCC1	ZINC000174685288	232297352	/nfs/dbraw/zinc/29/73/52/232297352.db2.gz	IYFYPSMSNVQWQW-CYBMUJFWSA-N	0	3	293.798	2.470	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccc(Cl)s1	ZINC000086139183	179236415	/nfs/dbraw/zinc/23/64/15/179236415.db2.gz	KKANYHWGDHVLSZ-QMMMGPOBSA-N	0	3	258.774	2.354	10	30		CEEEHN
COc1ccc(C#CCN)c(CO[C@@H](C)C(F)(F)F)c1	ZINC000090673676	180021772	/nfs/dbraw/zinc/02/17/72/180021772.db2.gz	IQORNTSKQXEEOL-JTQLQIEISA-N	0	3	287.281	2.473	10	30		CEEEHN
N#Cc1cc(Cn2cccc2CNC2CC2)ccn1	ZINC000091001453	180083238	/nfs/dbraw/zinc/08/32/38/180083238.db2.gz	SGZNBBQMLOKHLF-UHFFFAOYSA-N	0	3	252.321	2.055	10	30		CEEEHN
N#C[C@@]1([C@@]2(O)CCN(C3CC3)C2)CCCc2ccccc21	ZINC000091878848	180278582	/nfs/dbraw/zinc/27/85/82/180278582.db2.gz	LNEVBSZVCBXVQM-ZWKOTPCHSA-N	0	3	282.387	2.383	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#CCN)C1	ZINC000091992465	180300358	/nfs/dbraw/zinc/30/03/58/180300358.db2.gz	ZHBKXWUYIZXOIA-GFCCVEGCSA-N	0	3	289.354	2.400	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)N1C[C@H](C)[C@@H](C)C1	ZINC000092112322	180327602	/nfs/dbraw/zinc/32/76/02/180327602.db2.gz	MCCWVWMWFUGFMC-KBPBESRZSA-N	0	3	270.376	2.033	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)Cc1ccccc1Cl	ZINC000092473826	180393967	/nfs/dbraw/zinc/39/39/67/180393967.db2.gz	HSGIZHMIUAXSRA-NSHDSACASA-N	0	3	266.772	2.163	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2cc(C#CCN)ccc2F)CC1	ZINC000110817770	186327792	/nfs/dbraw/zinc/32/77/92/186327792.db2.gz	VHTXXIDFICBONZ-CYBMUJFWSA-N	0	3	288.366	2.398	10	30		CEEEHN
N#Cc1nc(NCCN2CCCCCC2)ccc1[N+](=O)[O-]	ZINC000236420668	370588288	/nfs/dbraw/zinc/58/82/88/370588288.db2.gz	BPRDKRZVOQDIBO-UHFFFAOYSA-N	0	3	289.339	2.149	10	30		CEEEHN
C=CCOCCN[C@@H](C)c1c(C)nn(CC)c1C	ZINC000385555953	542369061	/nfs/dbraw/zinc/36/90/61/542369061.db2.gz	RUNJMVXMMZNLEB-NSHDSACASA-N	0	3	251.374	2.373	10	30		CEEEHN
C[C@H]1CCC[C@@](N)(C(=O)N(CC#N)Cc2ccccc2)C1	ZINC000080924933	177730680	/nfs/dbraw/zinc/73/06/80/177730680.db2.gz	BOTJXSSVQZSFNH-YOEHRIQHSA-N	0	3	285.391	2.446	10	30		CEEEHN
C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)N1[C@H](C)CC[C@@H]1C	ZINC000359672045	394770725	/nfs/dbraw/zinc/77/07/25/394770725.db2.gz	JBETWZJMIISCRB-ITGHMWBKSA-N	0	3	263.385	2.056	10	30		CEEEHN
C[C@H](CC#N)N(C)CCN(C)Cc1ccc(F)cc1	ZINC000181743381	395222756	/nfs/dbraw/zinc/22/27/56/395222756.db2.gz	WWABVGHRHGBAAU-CYBMUJFWSA-N	0	3	263.360	2.491	10	30		CEEEHN
CCCN[C@@H](c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000043301272	175002008	/nfs/dbraw/zinc/00/20/08/175002008.db2.gz	UBCBFIZXXJGMRT-CABCVRRESA-N	0	3	292.404	2.034	10	30		CEEEHN
CCN(Cc1sccc1C#CCN)CC(F)(F)F	ZINC000043684254	175093035	/nfs/dbraw/zinc/09/30/35/175093035.db2.gz	MWUINUCQLFASRH-UHFFFAOYSA-N	0	3	276.327	2.443	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1cc(F)ccc1C#CCN	ZINC000045091836	175305596	/nfs/dbraw/zinc/30/55/96/175305596.db2.gz	PHGXANVPCCTBTR-UHFFFAOYSA-N	0	3	276.355	2.254	10	30		CEEEHN
CCCC(C#N)(CCC)C(=O)NC[C@H](C)N(C)C	ZINC000045109501	175309382	/nfs/dbraw/zinc/30/93/82/175309382.db2.gz	JHBFUFJZBTZCEO-LBPRGKRZSA-N	0	3	253.390	2.163	10	30		CEEEHN
CCN[C@](C)(C#N)CCCCN1CCN(C(C)(C)C)CC1	ZINC000045318484	175358834	/nfs/dbraw/zinc/35/88/34/175358834.db2.gz	VAIJTKUAOVQTIQ-KRWDZBQOSA-N	0	3	294.487	2.465	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1cc(C#CCN)ccc1F	ZINC000050891001	175519879	/nfs/dbraw/zinc/51/98/79/175519879.db2.gz	VPKBHOWOQZWYSP-LBPRGKRZSA-N	0	3	276.355	2.444	10	30		CEEEHN
C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#CCN)cc1F	ZINC000071210985	176083127	/nfs/dbraw/zinc/08/31/27/176083127.db2.gz	GDFJAARMPILHHX-ABAIWWIYSA-N	0	3	274.339	2.054	10	30		CEEEHN
C[C@@H](C1CC1)N(C)Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266838	176100655	/nfs/dbraw/zinc/10/06/55/176100655.db2.gz	AZJATVDHOYKOJY-VIFPVBQESA-N	0	3	265.332	2.151	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)NC2CCCCC2)c1	ZINC000071323007	176123301	/nfs/dbraw/zinc/12/33/01/176123301.db2.gz	LUZWWQHHGXULFM-UHFFFAOYSA-N	0	3	291.420	2.190	10	30		CEEEHN
Cc1nn(Cc2ccc(C#CCN)cc2F)cc1Cl	ZINC000080014138	177594959	/nfs/dbraw/zinc/59/49/59/177594959.db2.gz	LIVLWHWCLRZFQR-UHFFFAOYSA-N	0	3	277.730	2.343	10	30		CEEEHN
CC[C@@H]1CN(CCCC(C)(C)C#N)CCN1C[C@@H](C)O	ZINC000174849174	261199389	/nfs/dbraw/zinc/19/93/89/261199389.db2.gz	PMEGMHXSKFXABT-HUUCEWRRSA-N	0	3	281.444	2.093	10	30		CEEEHN
COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1C=CC(=O)C3	ZINC000022066932	295277664	/nfs/dbraw/zinc/27/76/64/295277664.db2.gz	SLJDAVMWFVYEFI-QWQRMKEZSA-N	0	3	299.370	2.044	10	30		CEEEHN
N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCc2ccccc21	ZINC000424078657	330221363	/nfs/dbraw/zinc/22/13/63/330221363.db2.gz	QEWIISQKWDYRCI-HUUCEWRRSA-N	0	3	271.364	2.201	10	30		CEEEHN
C=CCOc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1	ZINC000195329085	331170801	/nfs/dbraw/zinc/17/08/01/331170801.db2.gz	MPUYCYMCZWLXTO-OAHLLOKOSA-N	0	3	286.375	2.172	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1	ZINC000194328980	333269136	/nfs/dbraw/zinc/26/91/36/333269136.db2.gz	NJGSFHNYZYXISL-OAHLLOKOSA-N	0	3	286.379	2.358	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000049105792	522293599	/nfs/dbraw/zinc/29/35/99/522293599.db2.gz	VSONWXCLKJGVMV-CHWSQXEVSA-N	0	3	258.365	2.161	10	30		CEEEHN
CC[C@H]([NH3+])[C@@]([O-])(c1cccc(C#N)c1)C(F)(F)F	ZINC000062784329	522341538	/nfs/dbraw/zinc/34/15/38/522341538.db2.gz	UMROIKADTLJMGZ-QWRGUYRKSA-N	0	3	258.243	2.045	10	30		CEEEHN
CCN[C@H](C)c1c(F)cccc1N1CCO[C@H](C#N)C1	ZINC000093932562	535516458	/nfs/dbraw/zinc/51/64/58/535516458.db2.gz	IOVJANDIPLGOHE-VXGBXAGGSA-N	0	3	277.343	2.225	10	30		CEEEHN
CCN1CCC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1	ZINC000124750101	187151553	/nfs/dbraw/zinc/15/15/53/187151553.db2.gz	QKCUJYAEUXUVPM-GFCCVEGCSA-N	0	3	274.324	2.363	10	30		CEEEHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc(F)ccc1F	ZINC000591595238	345268004	/nfs/dbraw/zinc/26/80/04/345268004.db2.gz	VYDIVVDSKSUHBN-RNCFNFMXSA-N	0	3	281.306	2.163	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@@H](C)N1CCC(COC)CC1	ZINC000084295530	178848704	/nfs/dbraw/zinc/84/87/04/178848704.db2.gz	IHBJSOYFZLGVHW-UKRRQHHQSA-N	0	3	267.417	2.015	10	30		CEEEHN
NCc1ccccc1NC(=O)C#Cc1ccccc1	ZINC000085810376	179177403	/nfs/dbraw/zinc/17/74/03/179177403.db2.gz	PRXAKZPFOZGBKE-UHFFFAOYSA-N	0	3	250.301	2.136	10	30		CEEEHN
N#Cc1ccc(Cl)cc1N1CC[C@H](NC2CC2)C1=O	ZINC000086115348	179234391	/nfs/dbraw/zinc/23/43/91/179234391.db2.gz	XEGDFGYPEYOLAL-LBPRGKRZSA-N	0	3	275.739	2.069	10	30		CEEEHN
CC(C)[C@H]1CCCN1C(=O)c1cc(C#CCN)ccc1F	ZINC000088850874	179683091	/nfs/dbraw/zinc/68/30/91/179683091.db2.gz	IBRFSHXHUKNHIU-MRXNPFEDSA-N	0	3	288.366	2.397	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1F	ZINC000404162558	233192640	/nfs/dbraw/zinc/19/26/40/233192640.db2.gz	QUHUJZAZRAXGBV-ZNMIVQPWSA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@@H](OCc1ccc(C#CCN)cc1)C(F)(F)F	ZINC000090673669	180021695	/nfs/dbraw/zinc/02/16/95/180021695.db2.gz	BPTOBJJBISKLAX-SNVBAGLBSA-N	0	3	257.255	2.464	10	30		CEEEHN
C[C@H](OCc1ccccc1C#CCN)C(F)(F)F	ZINC000090673672	180021917	/nfs/dbraw/zinc/02/19/17/180021917.db2.gz	AVFBMDCCODEODM-JTQLQIEISA-N	0	3	257.255	2.464	10	30		CEEEHN
NCC#Cc1cccc(OC[C@@H]2Cc3ccccc3O2)c1	ZINC000090876385	180051897	/nfs/dbraw/zinc/05/18/97/180051897.db2.gz	CYBNBIFGEOYXEY-KRWDZBQOSA-N	0	3	279.339	2.379	10	30		CEEEHN
C=CCN(C(=O)C[C@H]1CSCCN1)C1CCCC1	ZINC000091136582	180104568	/nfs/dbraw/zinc/10/45/68/180104568.db2.gz	JMCIVIROHNAEGX-LBPRGKRZSA-N	0	3	268.426	2.039	10	30		CEEEHN
C[C@@H](CCO)SCc1ccc(F)cc1C#CCN	ZINC000091266325	180117290	/nfs/dbraw/zinc/11/72/90/180117290.db2.gz	NBCPFUMHTSANPJ-NSHDSACASA-N	0	3	267.369	2.140	10	30		CEEEHN
CC(C)CN(CC(C)C)C(=O)c1ccncc1C#CCN	ZINC000091461877	180161813	/nfs/dbraw/zinc/16/18/13/180161813.db2.gz	CETWAYRYZIAQPT-UHFFFAOYSA-N	0	3	287.407	2.146	10	30		CEEEHN
CN(C)[C@@H]1CCCN(C(=O)C2(C#N)CCCCCC2)C1	ZINC000091393200	180145692	/nfs/dbraw/zinc/14/56/92/180145692.db2.gz	NFLRMLZNSRXPDA-CQSZACIVSA-N	0	3	277.412	2.403	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)N2CCCC2)c1	ZINC000091968698	180294526	/nfs/dbraw/zinc/29/45/26/180294526.db2.gz	QGFUWJXRAAMQSL-UHFFFAOYSA-N	0	3	277.755	2.278	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@@H]1C1CCCCC1	ZINC000092474861	180394185	/nfs/dbraw/zinc/39/41/85/180394185.db2.gz	VMCCBSZVRAEEOF-CQSZACIVSA-N	0	3	250.386	2.333	10	30		CEEEHN
C=CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)NC	ZINC000110959856	186336163	/nfs/dbraw/zinc/33/61/63/186336163.db2.gz	JJHGZRGHDPPXOX-OLZOCXBDSA-N	0	3	276.380	2.345	10	30		CEEEHN
N#CCc1nc2ccccc2n1[C@@H](CN)c1ccccn1	ZINC000110951732	186337074	/nfs/dbraw/zinc/33/70/74/186337074.db2.gz	OMNZEXJORYNAEZ-HNNXBMFYSA-N	0	3	277.331	2.045	10	30		CEEEHN
CC[C@H]1CN(CCCOc2cccc(C#N)c2)CCN1C	ZINC000110718816	186315473	/nfs/dbraw/zinc/31/54/73/186315473.db2.gz	HTRGAXKHMRHNGE-INIZCTEOSA-N	0	3	287.407	2.353	10	30		CEEEHN
CC[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCN1C	ZINC000110718804	186316069	/nfs/dbraw/zinc/31/60/69/186316069.db2.gz	JAKCJTHWTNXNNE-MRXNPFEDSA-N	0	3	287.407	2.353	10	30		CEEEHN
CN(C)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000171071304	188713227	/nfs/dbraw/zinc/71/32/27/188713227.db2.gz	NSDVDSMYGSKUBE-GFCCVEGCSA-N	0	3	292.770	2.379	10	30		CEEEHN
C[C@H]1CN(CCOc2cccc(C#N)c2)CCS1	ZINC000134342521	366310036	/nfs/dbraw/zinc/31/00/36/366310036.db2.gz	HNODJBFYYAFJCW-LBPRGKRZSA-N	0	3	262.378	2.374	10	30		CEEEHN
CCN1CCc2c(cccc2Nc2ccc(C#N)nn2)C1	ZINC000301915512	201262091	/nfs/dbraw/zinc/26/20/91/201262091.db2.gz	DHURDKAHRAXCSB-UHFFFAOYSA-N	0	3	279.347	2.470	10	30		CEEEHN
CCCCNC(=N)Nc1nc2ccccc2nc1C	ZINC000027903963	361661320	/nfs/dbraw/zinc/66/13/20/361661320.db2.gz	KWKXMDLCBBVYLO-UHFFFAOYSA-N	0	3	257.341	2.274	10	30		CEEEHN
N#Cc1ccccc1CN1CCN2CCCC[C@H]2C1	ZINC000246182346	370922943	/nfs/dbraw/zinc/92/29/43/370922943.db2.gz	KWRBDIAJBHINJP-INIZCTEOSA-N	0	3	255.365	2.228	10	30		CEEEHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1sccc1C#N	ZINC000246996370	371043818	/nfs/dbraw/zinc/04/38/18/371043818.db2.gz	PRZHQEWWFNCXBF-OLZOCXBDSA-N	0	3	289.404	2.319	10	30		CEEEHN
C#CCOc1ccccc1CNC[C@H](O)C(C)(C)C	ZINC000264864266	190139695	/nfs/dbraw/zinc/13/96/95/190139695.db2.gz	PPPXCJBUFXIEFY-HNNXBMFYSA-N	0	3	261.365	2.195	10	30		CEEEHN
COc1ccc(CNC[C@@H](O)C(C)(C)C)cc1C#N	ZINC000266173782	190237306	/nfs/dbraw/zinc/23/73/06/190237306.db2.gz	DGPWAQDTAPOFKF-CQSZACIVSA-N	0	3	262.353	2.063	10	30		CEEEHN
CC#CCCN(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000155527865	395028373	/nfs/dbraw/zinc/02/83/73/395028373.db2.gz	CBLILRLYCPTSCG-HNNXBMFYSA-N	0	3	292.448	2.467	10	30		CEEEHN
C#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000192169056	395375289	/nfs/dbraw/zinc/37/52/89/395375289.db2.gz	DYPZVTBXLSOIEY-HNNXBMFYSA-N	0	3	272.392	2.427	10	30		CEEEHN
COCCNCCNc1ccc(C(F)(F)F)cc1C#N	ZINC000215503671	153291982	/nfs/dbraw/zinc/29/19/82/153291982.db2.gz	SHPLWUSQBLTSSC-UHFFFAOYSA-N	0	3	287.285	2.225	10	30		CEEEHN
COCCNCCNc1ccc(C#N)c(C(F)(F)F)c1	ZINC000215504349	153293845	/nfs/dbraw/zinc/29/38/45/153293845.db2.gz	RZFNWVBTYDXTAA-UHFFFAOYSA-N	0	3	287.285	2.225	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@@H](CN)c1ccco1	ZINC000043336659	175012664	/nfs/dbraw/zinc/01/26/64/175012664.db2.gz	JKNNDIVHKVIRKM-AWEZNQCLSA-N	0	3	258.277	2.239	10	30		CEEEHN
NCC#Cc1ccc(COC[C@H]2CCCCO2)s1	ZINC000043685051	175094029	/nfs/dbraw/zinc/09/40/29/175094029.db2.gz	VPDPBVNJKGBSFI-GFCCVEGCSA-N	0	3	265.378	2.144	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)C[C@@H]1CCCCO1	ZINC000043688955	175095299	/nfs/dbraw/zinc/09/52/99/175095299.db2.gz	BDFNAMGLAAVVGW-AWEZNQCLSA-N	0	3	278.421	2.059	10	30		CEEEHN
CCN1CCC(N(C)C(=O)C2(C#N)CCCCC2)CC1	ZINC000044767155	175249767	/nfs/dbraw/zinc/24/97/67/175249767.db2.gz	GPTHOGOICRVRLG-UHFFFAOYSA-N	0	3	277.412	2.403	10	30		CEEEHN
CN1CCCC[C@H]1CNC(=O)C1(C#N)CCCCCC1	ZINC000044767404	175249900	/nfs/dbraw/zinc/24/99/00/175249900.db2.gz	ROXMTIPYXVTMEK-AWEZNQCLSA-N	0	3	277.412	2.451	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1ccc(F)cc1C#CCN	ZINC000045091835	175305935	/nfs/dbraw/zinc/30/59/35/175305935.db2.gz	VGWHDYPFMDFRLR-UHFFFAOYSA-N	0	3	276.355	2.254	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN(CCOC)[C@@H](C)C1CC1	ZINC000045182599	175325700	/nfs/dbraw/zinc/32/57/00/175325700.db2.gz	SQEHZJLEDJXYGC-GOEBONIOSA-N	0	3	281.444	2.405	10	30		CEEEHN
C[C@@](N)(C#N)CCCCN1CCc2ccccc2C1	ZINC000045307622	175355665	/nfs/dbraw/zinc/35/56/65/175355665.db2.gz	APVGOMHBQJOZBU-INIZCTEOSA-N	0	3	257.381	2.456	10	30		CEEEHN
CCN1CCN(CCCC[C@](C)(C#N)NC(C)C)CC1	ZINC000045306541	175355898	/nfs/dbraw/zinc/35/58/98/175355898.db2.gz	UZNWKOSQBQSDTC-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
C#CCOc1ccc2ccccc2c1CNC[C@H](C)O	ZINC000045946101	175388014	/nfs/dbraw/zinc/38/80/14/175388014.db2.gz	PNEHQEOOLSFNQF-ZDUSSCGKSA-N	0	3	269.344	2.322	10	30		CEEEHN
C[C@H]1CCC[C@H]1NC(=O)c1ccc(C#CCN)cc1F	ZINC000071210988	176083097	/nfs/dbraw/zinc/08/30/97/176083097.db2.gz	GDFJAARMPILHHX-XHDPSFHLSA-N	0	3	274.339	2.054	10	30		CEEEHN
C[C@@H]1CCC[C@H]1NC(=O)c1cc(C#CCN)ccc1F	ZINC000071210983	176083215	/nfs/dbraw/zinc/08/32/15/176083215.db2.gz	HHJLDNBINKPUMF-IAQYHMDHSA-N	0	3	274.339	2.054	10	30		CEEEHN
COCCN(CCC#N)[C@H](CN)c1ccccc1Cl	ZINC000071222337	176087441	/nfs/dbraw/zinc/08/74/41/176087441.db2.gz	CCDLQBWAXNZSJV-CQSZACIVSA-N	0	3	281.787	2.202	10	30		CEEEHN
C[C@H](Cc1cccs1)NC(=O)c1cccc(C#CCN)c1	ZINC000071273683	176105711	/nfs/dbraw/zinc/10/57/11/176105711.db2.gz	DCXYYXKSTXXKRK-CYBMUJFWSA-N	0	3	298.411	2.419	10	30		CEEEHN
Cc1ccccc1C(=O)NCc1ccc(C#CCN)s1	ZINC000071322621	176123041	/nfs/dbraw/zinc/12/30/41/176123041.db2.gz	SLXYZRNEACDZAE-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
Cc1cccc(C(=O)NCc2cc(C#CCN)cs2)c1	ZINC000071322232	176123057	/nfs/dbraw/zinc/12/30/57/176123057.db2.gz	WDQNBJRIBPGFMB-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
CN(C)c1cccc2c1C(=O)N(Cc1ccncc1)C2C#N	ZINC000071679307	176244510	/nfs/dbraw/zinc/24/45/10/176244510.db2.gz	CVTJJSNXTAKOON-HNNXBMFYSA-N	0	3	292.342	2.368	10	30		CEEEHN
C[C@@H]1CN2CCCC[C@@H]2CN1c1cccc(C#N)n1	ZINC000094447260	274372916	/nfs/dbraw/zinc/37/29/16/274372916.db2.gz	XVRMQJTYZNZOPW-TZMCWYRMSA-N	0	3	256.353	2.016	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NCc2cc(C#N)cs2)C1	ZINC000154098652	289134465	/nfs/dbraw/zinc/13/44/65/289134465.db2.gz	WWDQAGKKPQRFJG-RISCZKNCSA-N	0	3	263.410	2.438	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000424066112	330219298	/nfs/dbraw/zinc/21/92/98/330219298.db2.gz	NAFJCXVCEBKTOM-MXWKQRLJSA-N	0	3	291.317	2.245	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N1C[C@@H]2CCCN2C[C@H]1C	ZINC000251374729	334360543	/nfs/dbraw/zinc/36/05/43/334360543.db2.gz	RQJVQGYXUGEAMS-OLZOCXBDSA-N	0	3	263.385	2.011	10	30		CEEEHN
C=CCSCCNC(=O)N[C@H](CC(C)C)CN(C)C	ZINC000194629893	336034716	/nfs/dbraw/zinc/03/47/16/336034716.db2.gz	USFJIUPEXSXKFH-CYBMUJFWSA-N	0	3	287.473	2.181	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616426	520032033	/nfs/dbraw/zinc/03/20/33/520032033.db2.gz	RKHMRZXMFOYYAC-GDBMZVCRSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616422	520102300	/nfs/dbraw/zinc/10/23/00/520102300.db2.gz	RKHMRZXMFOYYAC-ZBFHGGJFSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613199	520130875	/nfs/dbraw/zinc/13/08/75/520130875.db2.gz	ARHCMDJGXNXRQV-GOEBONIOSA-N	0	3	280.460	2.073	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)N1CCC[C@H](C)C1	ZINC000087747695	518188219	/nfs/dbraw/zinc/18/82/19/518188219.db2.gz	SXZIFDPWHLGYQS-ZDUSSCGKSA-N	0	3	270.376	2.177	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000050442488	519345594	/nfs/dbraw/zinc/34/55/94/519345594.db2.gz	RDYSLKZHRSIRRV-GFCCVEGCSA-N	0	3	291.355	2.250	10	30		CEEEHN
CC(C)N[C@](C)(C#N)C[C@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616447	519739179	/nfs/dbraw/zinc/73/91/79/519739179.db2.gz	OXKHVWUEYBQLFK-HOCLYGCPSA-N	0	3	280.460	2.071	10	30		CEEEHN
CCN(CC1CC1)C(=O)c1cc(C#CCN)ccc1F	ZINC000069263404	520954251	/nfs/dbraw/zinc/95/42/51/520954251.db2.gz	BXJOZQKSDSXRND-UHFFFAOYSA-N	0	3	274.339	2.008	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1ccc(OC)c(C#CCN)c1	ZINC000069461761	521296438	/nfs/dbraw/zinc/29/64/38/521296438.db2.gz	ZMPJQBCGLJSJSQ-UHFFFAOYSA-N	0	3	288.391	2.266	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1ccccc1C#CCN	ZINC000069461756	521297834	/nfs/dbraw/zinc/29/78/34/521297834.db2.gz	FRZZLOJHSIKPLY-UHFFFAOYSA-N	0	3	258.365	2.257	10	30		CEEEHN
COCCCN(CCOC)[C@@H](C)C[C@](C)(C#N)NC(C)C	ZINC000068612905	523257837	/nfs/dbraw/zinc/25/78/37/523257837.db2.gz	OKYGUHQLQKMQKE-JKSUJKDBSA-N	0	3	299.459	2.030	10	30		CEEEHN
CC(C)(C)[C@@H](O)CNCc1ccc(C#N)c(F)c1	ZINC000404192860	526645181	/nfs/dbraw/zinc/64/51/81/526645181.db2.gz	FKUIIJKHNZWNAO-ZDUSSCGKSA-N	0	3	250.317	2.194	10	30		CEEEHN
COc1cc(C#N)ccc1CN1CCN2CCCC[C@@H]2C1	ZINC000121438782	365568914	/nfs/dbraw/zinc/56/89/14/365568914.db2.gz	RFCFBAZMIMPDFR-MRXNPFEDSA-N	0	3	285.391	2.237	10	30		CEEEHN
C=CCCCN(C)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000152427141	344425823	/nfs/dbraw/zinc/42/58/23/344425823.db2.gz	NKBIKHHRASHTEF-CYBMUJFWSA-N	0	3	253.390	2.078	10	30		CEEEHN
C#CC[C@@H](N)c1ccc(F)cc1I	ZINC000236316099	344595289	/nfs/dbraw/zinc/59/52/89/344595289.db2.gz	DFZMCKIDGFPWLU-SNVBAGLBSA-N	0	3	289.091	2.453	10	30		CEEEHN
C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccs1	ZINC000594426980	345626604	/nfs/dbraw/zinc/62/66/04/345626604.db2.gz	UDZADFUZMBVFKW-WDEREUQCSA-N	0	3	265.382	2.337	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)Nc2cc(C#N)ccc2C)C1	ZINC000058451854	362631023	/nfs/dbraw/zinc/63/10/23/362631023.db2.gz	WYMMDMVDQOUXCG-AWEZNQCLSA-N	0	3	286.379	2.473	10	30		CEEEHN
CC(C)C1(NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000339518286	215224607	/nfs/dbraw/zinc/22/46/07/215224607.db2.gz	ZTUADLULBPCHLX-UHFFFAOYSA-N	0	3	292.404	2.110	10	30		CEEEHN
Cc1c(F)cc(C#N)cc1NC(=O)C[C@@H]1CSCCN1	ZINC000091135246	180104301	/nfs/dbraw/zinc/10/43/01/180104301.db2.gz	BAHWSKQTJOLRFI-LLVKDONJSA-N	0	3	293.367	2.039	10	30		CEEEHN
CCN(C(=O)c1ccncc1C#CCN)C1CCCCC1	ZINC000091460953	180161319	/nfs/dbraw/zinc/16/13/19/180161319.db2.gz	NLBABHBSMKTZDL-UHFFFAOYSA-N	0	3	285.391	2.187	10	30		CEEEHN
Cc1ncccc1NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000091497945	180173002	/nfs/dbraw/zinc/17/30/02/180173002.db2.gz	SPMCEZMDURCACM-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CN1CCC(O)([C@@]2(C#N)CCCc3ccccc32)CC1	ZINC000091878280	180278563	/nfs/dbraw/zinc/27/85/63/180278563.db2.gz	RKJLYVLHIAWRDP-MRXNPFEDSA-N	0	3	270.376	2.241	10	30		CEEEHN
NCC#Cc1ccccc1CNC(=O)N1CCCCCC1	ZINC000091971834	180295745	/nfs/dbraw/zinc/29/57/45/180295745.db2.gz	DWAXZEOVOUZAST-UHFFFAOYSA-N	0	3	285.391	2.082	10	30		CEEEHN
C[C@@H]1CN(Cc2ccc(F)c(C#CCO)c2)C[C@H]1C	ZINC000092087039	180321536	/nfs/dbraw/zinc/32/15/36/180321536.db2.gz	MQIJZKKCAXDFJZ-CHWSQXEVSA-N	0	3	261.340	2.257	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccccc1Br	ZINC000105856812	186079536	/nfs/dbraw/zinc/07/95/36/186079536.db2.gz	XERVMZGQRBQCRP-JTQLQIEISA-N	0	3	297.196	2.402	10	30		CEEEHN
Cc1cc(NC(=O)c2cc(C#CCN)ccc2F)ccn1	ZINC000092365932	180369281	/nfs/dbraw/zinc/36/92/81/180369281.db2.gz	DHYFSAJTPPPNOW-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCC[C@H](C#N)C(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000110250489	186288583	/nfs/dbraw/zinc/28/85/83/186288583.db2.gz	AVWLBEUNJQDURO-ZIAGYGMSSA-N	0	3	263.385	2.013	10	30		CEEEHN
CCN1CCN(CCOc2ccc(CC#N)cc2)C[C@@H]1C	ZINC000110718505	186315998	/nfs/dbraw/zinc/31/59/98/186315998.db2.gz	CQHUXYXEVSFYIG-HNNXBMFYSA-N	0	3	287.407	2.157	10	30		CEEEHN
CCN1CCN(CCC[C@@](C)(C#N)NC(C)C)C[C@@H]1C	ZINC000110737074	186319222	/nfs/dbraw/zinc/31/92/22/186319222.db2.gz	OSYVVRDHEFIUCO-HOTGVXAUSA-N	0	3	280.460	2.073	10	30		CEEEHN
NCC#Cc1ccsc1CSc1ccncn1	ZINC000111114959	186353298	/nfs/dbraw/zinc/35/32/98/186353298.db2.gz	CKSQCAMPNKIADL-UHFFFAOYSA-N	0	3	261.375	2.141	10	30		CEEEHN
NCC#Cc1ccc(CSc2ccncn2)cc1	ZINC000111114980	186354084	/nfs/dbraw/zinc/35/40/84/186354084.db2.gz	XFVDBUQFFOINQW-UHFFFAOYSA-N	0	3	255.346	2.079	10	30		CEEEHN
N#CCC[C@H](C#N)CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000337316912	366142132	/nfs/dbraw/zinc/14/21/32/366142132.db2.gz	YRWWNEIHBDFNGL-QXSJWSMHSA-N	0	3	275.396	2.445	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1F	ZINC000404162550	283143295	/nfs/dbraw/zinc/14/32/95/283143295.db2.gz	QUHUJZAZRAXGBV-KKUMJFAQSA-N	0	3	274.339	2.290	10	30		CEEEHN
N#Cc1ccc(CNC[C@H]2CCCC[C@H]2O)s1	ZINC000135693481	366468551	/nfs/dbraw/zinc/46/85/51/366468551.db2.gz	ZSOCKRWHVLXMMP-ZWNOBZJWSA-N	0	3	250.367	2.260	10	30		CEEEHN
CCCCOC[C@@H](O)CN(C)Cc1cccc(C#N)c1	ZINC000193243967	369910232	/nfs/dbraw/zinc/91/02/32/369910232.db2.gz	VPAIVNIJFONMSP-INIZCTEOSA-N	0	3	276.380	2.168	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(C#N)cs2)C1	ZINC000247053459	371056631	/nfs/dbraw/zinc/05/66/31/371056631.db2.gz	IJPOYWPZPGMLLN-CMPLNLGQSA-N	0	3	277.393	2.078	10	30		CEEEHN
COCCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C	ZINC000246359933	285051491	/nfs/dbraw/zinc/05/14/91/285051491.db2.gz	KZKMOFUFYPZCNE-HUUCEWRRSA-N	0	3	287.407	2.272	10	30		CEEEHN
C[C@H](SCCN(C)C)C(=O)Nc1ccc(C#N)cc1	ZINC000095020355	184917134	/nfs/dbraw/zinc/91/71/34/184917134.db2.gz	KDIQEJCKLMHDQP-NSHDSACASA-N	0	3	277.393	2.180	10	30		CEEEHN
CCN1CCC[C@@H]1CNc1cc(C)nc(C)c1C#N	ZINC000157378475	395034939	/nfs/dbraw/zinc/03/49/39/395034939.db2.gz	AILIAFNNWXZFHA-CYBMUJFWSA-N	0	3	258.369	2.466	10	30		CEEEHN
CCO[C@@H]1C[C@H](NCC2(C#N)CCC2)C12CCOCC2	ZINC000333733878	286383908	/nfs/dbraw/zinc/38/39/08/286383908.db2.gz	UNAMVGRUEDWDMK-UONOGXRCSA-N	0	3	278.396	2.244	10	30		CEEEHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1sccc1C#N	ZINC000174990351	165123464	/nfs/dbraw/zinc/12/34/64/165123464.db2.gz	PRZHQEWWFNCXBF-QWHCGFSZSA-N	0	3	289.404	2.319	10	30		CEEEHN
CN(C)CCN[C@H](C#N)c1ccc(C(F)(F)F)cc1	ZINC000037940747	173880432	/nfs/dbraw/zinc/88/04/32/173880432.db2.gz	OIYGJLLIDCIENN-GFCCVEGCSA-N	0	3	271.286	2.421	10	30		CEEEHN
CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C#CCN)cs1	ZINC000043689015	175095318	/nfs/dbraw/zinc/09/53/18/175095318.db2.gz	OUECPBZJTHMKIS-GXTWGEPZSA-N	0	3	278.421	2.058	10	30		CEEEHN
CC1(C)COCCN1C(=O)C(C#N)Cc1ccccc1	ZINC000044824454	175259478	/nfs/dbraw/zinc/25/94/78/175259478.db2.gz	FRIVHYYXWIYICO-CQSZACIVSA-N	0	3	272.348	2.006	10	30		CEEEHN
CCN[C@](C)(C#N)CCN(CCOC)[C@@H](C)C1CC1	ZINC000045182593	175325351	/nfs/dbraw/zinc/32/53/51/175325351.db2.gz	RTSYSQXAVXRXRC-ZFWWWQNUSA-N	0	3	267.417	2.015	10	30		CEEEHN
CN[C@@](C)(C#N)CCCN1CCc2ccccc2C1	ZINC000045307600	175355758	/nfs/dbraw/zinc/35/57/58/175355758.db2.gz	UKPZYRSUFNVTAX-MRXNPFEDSA-N	0	3	257.381	2.327	10	30		CEEEHN
CCN[C@](C)(C#N)CCCCN1CCN(C(C)C)CC1	ZINC000045311506	175356415	/nfs/dbraw/zinc/35/64/15/175356415.db2.gz	CTBDKILOTJFMOT-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
Cc1cccc(CC(=O)Nc2ccc(C#CCN)cc2)c1	ZINC000052137077	175533088	/nfs/dbraw/zinc/53/30/88/175533088.db2.gz	BOAZNAIXILRUHY-UHFFFAOYSA-N	0	3	278.355	2.486	10	30		CEEEHN
Cc1ccc(C#N)cc1N1CCC[C@@H](NC(C)C)C1=O	ZINC000071042251	176028737	/nfs/dbraw/zinc/02/87/37/176028737.db2.gz	WHAALCZKPKIQMR-CQSZACIVSA-N	0	3	271.364	2.360	10	30		CEEEHN
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1C#CCN	ZINC000071210975	176083393	/nfs/dbraw/zinc/08/33/93/176083393.db2.gz	ZTAZOYZCXFGUEP-IAQYHMDHSA-N	0	3	274.339	2.054	10	30		CEEEHN
CC[C@@H]1CCCN1Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266893	176100498	/nfs/dbraw/zinc/10/04/98/176100498.db2.gz	KDWNIVVIGVVIKC-GFCCVEGCSA-N	0	3	265.332	2.295	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)Nc2ccccc2)s1	ZINC000071323039	176123226	/nfs/dbraw/zinc/12/32/26/176123226.db2.gz	VWZITXMOUDDKBI-UHFFFAOYSA-N	0	3	285.372	2.380	10	30		CEEEHN
Cc1nn(Cc2cc(C#CCN)cs2)cc1Cl	ZINC000080014168	177595260	/nfs/dbraw/zinc/59/52/60/177595260.db2.gz	WNQFSQCFHIPJCJ-UHFFFAOYSA-N	0	3	265.769	2.265	10	30		CEEEHN
Cc1ccccc1[C@H](C)NCC(=O)N(CCC#N)CCC#N	ZINC000126662589	260783548	/nfs/dbraw/zinc/78/35/48/260783548.db2.gz	CQDMFKXLMWZDAB-HNNXBMFYSA-N	0	3	298.390	2.302	10	30		CEEEHN
N#Cc1cccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1F	ZINC000399006256	268248509	/nfs/dbraw/zinc/24/85/09/268248509.db2.gz	OUVXJJRYVUXOEN-QEJZJMRPSA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)cn1	ZINC000083704199	274372997	/nfs/dbraw/zinc/37/29/97/274372997.db2.gz	YYLDDEPZVJGRAO-TZMCWYRMSA-N	0	3	256.353	2.016	10	30		CEEEHN
C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000246806801	278306095	/nfs/dbraw/zinc/30/60/95/278306095.db2.gz	BNNFUUBFZGJQPP-RHSMWYFYSA-N	0	3	285.391	2.026	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)c1cc(C#N)cs1	ZINC000084181437	279131958	/nfs/dbraw/zinc/13/19/58/279131958.db2.gz	RQGLQURIVTYGRC-GFCCVEGCSA-N	0	3	279.409	2.326	10	30		CEEEHN
Cc1cc(N2CCN(c3ccncc3)CC2)c(C#N)c(C)n1	ZINC000301757455	280560047	/nfs/dbraw/zinc/56/00/47/280560047.db2.gz	FAOASBNYXLLYRL-UHFFFAOYSA-N	0	3	293.374	2.292	10	30		CEEEHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)c(F)c1	ZINC000424068338	330219600	/nfs/dbraw/zinc/21/96/00/330219600.db2.gz	ROEXSTPLMQHUDU-NOZJJQNGSA-N	0	3	281.306	2.163	10	30		CEEEHN
CCC1CCC(NC(=O)[C@@H](N)CCCC#N)CC1	ZINC000424107948	330234880	/nfs/dbraw/zinc/23/48/80/330234880.db2.gz	ZNLPEAITWVHEFT-BPCQOVAHSA-N	0	3	251.374	2.093	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1	ZINC000044387053	330327974	/nfs/dbraw/zinc/32/79/74/330327974.db2.gz	WWHJAAJYALYLNR-CYBMUJFWSA-N	0	3	263.385	2.061	10	30		CEEEHN
C=CCCCCCN1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000248823165	334318547	/nfs/dbraw/zinc/31/85/47/334318547.db2.gz	YTLOMTLZOSAOMW-CABCVRRESA-N	0	3	254.418	2.120	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1cc(Cl)ccc1C#N	ZINC000061300740	521940994	/nfs/dbraw/zinc/94/09/94/521940994.db2.gz	MGQPEGHYNZXPDK-UHFFFAOYSA-N	0	3	251.717	2.148	10	30		CEEEHN
CCOC1CCN([C@@H](C)C[C@](C)(C#N)NC2CC2)CC1	ZINC000068612023	521657130	/nfs/dbraw/zinc/65/71/30/521657130.db2.gz	WOOQYCVZCIEFAN-XJKSGUPXSA-N	0	3	279.428	2.300	10	30		CEEEHN
CC[C@@H](C)N(CCOC)CC[C@@H](C#N)NC(C)C	ZINC000062437409	522093251	/nfs/dbraw/zinc/09/32/51/522093251.db2.gz	CVOYQVZWFYIBGN-KGLIPLIRSA-N	0	3	255.406	2.014	10	30		CEEEHN
CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C#CCN)cn2)C1	ZINC000068594055	523119418	/nfs/dbraw/zinc/11/94/18/523119418.db2.gz	ZTBBYTCGQXCFHH-DZGCQCFKSA-N	0	3	285.391	2.090	10	30		CEEEHN
COCCN(C)CCNc1cc(C#N)c2ccccc2n1	ZINC000068770523	523613248	/nfs/dbraw/zinc/61/32/48/523613248.db2.gz	GGLKBBQMZCPYCY-UHFFFAOYSA-N	0	3	284.363	2.097	10	30		CEEEHN
COCCNCc1cc(OC)ccc1OCCCC#N	ZINC000062727735	523950006	/nfs/dbraw/zinc/95/00/06/523950006.db2.gz	TWBNEKHTWFFHEC-UHFFFAOYSA-N	0	3	278.352	2.114	10	30		CEEEHN
COCCNCc1ccc(O[C@H](C)C#N)c(Cl)c1	ZINC000062730585	523953115	/nfs/dbraw/zinc/95/31/15/523953115.db2.gz	SPARSXIOWFSDDZ-SNVBAGLBSA-N	0	3	268.744	2.367	10	30		CEEEHN
Cc1cc(C#N)cc(NCCCNCc2cccnc2)n1	ZINC000161735309	526186023	/nfs/dbraw/zinc/18/60/23/526186023.db2.gz	QJMINRUCVYHIGR-UHFFFAOYSA-N	0	3	281.363	2.249	10	30		CEEEHN
N#C[C@H]1CCCCC[C@H]1NC1CCC(C(N)=O)CC1	ZINC000054825989	526512234	/nfs/dbraw/zinc/51/22/34/526512234.db2.gz	MTSQVFBSLWKMKY-FKZOYECMSA-N	0	3	263.385	2.093	10	30		CEEEHN
CC(C)(C)OC(=O)NCCCN[C@@H]1CCC[C@H]1C#N	ZINC000135302318	652964612	/nfs/dbraw/zinc/96/46/12/652964612.db2.gz	IZLOWAPZIZFRQM-NWDGAFQWSA-N	0	3	267.373	2.183	10	30		CEEEHN
C[C@H](c1ccccc1)[C@@H](N)CC(=O)N1CCC[C@H]1C#N	ZINC000584629464	344969243	/nfs/dbraw/zinc/96/92/43/344969243.db2.gz	TXWNWQCDGRBOSR-SNPRPXQTSA-N	0	3	271.364	2.022	10	30		CEEEHN
CN1CCC[C@@H](Nc2c(C#N)nnc3ccccc32)C1	ZINC000085920141	179199627	/nfs/dbraw/zinc/19/96/27/179199627.db2.gz	GFPBHYDAMCEYAL-LLVKDONJSA-N	0	3	267.336	2.008	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2cccc(C#CCN)c2)[C@@H]1C	ZINC000086081144	179227619	/nfs/dbraw/zinc/22/76/19/179227619.db2.gz	YZQRJEVCKNSPLN-XJKCOSOUSA-N	0	3	270.376	2.161	10	30		CEEEHN
CCC(CC)(CC)NC(=O)c1ccc(C#CCN)cn1	ZINC000086647802	179316764	/nfs/dbraw/zinc/31/67/64/179316764.db2.gz	GXBQLHVLAOERBO-UHFFFAOYSA-N	0	3	273.380	2.090	10	30		CEEEHN
CCc1cc(COc2ccc(F)cc2C#CCN)n(C)n1	ZINC000089201836	179752908	/nfs/dbraw/zinc/75/29/08/179752908.db2.gz	HIZOVASDLKFXQA-UHFFFAOYSA-N	0	3	287.338	2.011	10	30		CEEEHN
CN1CCN(CCc2cc3cc(C#N)ccc3o2)CC1	ZINC000090567634	180006262	/nfs/dbraw/zinc/00/62/62/180006262.db2.gz	GEETYPDUNTWBKS-UHFFFAOYSA-N	0	3	269.348	2.094	10	30		CEEEHN
C=C(C)COCCN[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000091397689	180147186	/nfs/dbraw/zinc/14/71/86/180147186.db2.gz	MTXWVLKGNGRWDO-LLVKDONJSA-N	0	3	275.352	2.100	10	30		CEEEHN
C=C(CC)C[C@H](O)C1(N2CCOCC2)CCCC1	ZINC000091642808	180214257	/nfs/dbraw/zinc/21/42/57/180214257.db2.gz	DGRZIBDDYPHJMU-AWEZNQCLSA-N	0	3	253.386	2.349	10	30		CEEEHN
CC1CCN(C(=O)Nc2cccc(C#CCN)c2)CC1	ZINC000091992425	180300403	/nfs/dbraw/zinc/30/04/03/180300403.db2.gz	XAVBTGQUOFVWHQ-UHFFFAOYSA-N	0	3	271.364	2.261	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1	ZINC000092473775	180392906	/nfs/dbraw/zinc/39/29/06/180392906.db2.gz	ATQQXUGTBUBHFR-ZDUSSCGKSA-N	0	3	276.380	2.427	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccc(SC)cc1	ZINC000092473945	180393976	/nfs/dbraw/zinc/39/39/76/180393976.db2.gz	ADEWQEKZTSYNAB-LLVKDONJSA-N	0	3	264.394	2.361	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1	ZINC000092474523	180394044	/nfs/dbraw/zinc/39/40/44/180394044.db2.gz	WLNGPCUNDNCEMT-OAHLLOKOSA-N	0	3	274.364	2.134	10	30		CEEEHN
C#CCn1c(N)c(CCc2ccccc2)nc1CC	ZINC000108422006	186217010	/nfs/dbraw/zinc/21/70/10/186217010.db2.gz	JRTOSUXAROZNBY-UHFFFAOYSA-N	0	3	253.349	2.446	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C#CCN)CC1	ZINC000110817727	186325953	/nfs/dbraw/zinc/32/59/53/186325953.db2.gz	AOQNKJWTGSFXSL-CYBMUJFWSA-N	0	3	288.366	2.398	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1cc(F)ccc1C#CCN	ZINC000110847578	186328549	/nfs/dbraw/zinc/32/85/49/186328549.db2.gz	DZPIYTIMLHYEFJ-UHFFFAOYSA-N	0	3	288.366	2.398	10	30		CEEEHN
N#Cc1csc(CN2CCN3CCCC[C@H]3C2)c1	ZINC000245553501	370837459	/nfs/dbraw/zinc/83/74/59/370837459.db2.gz	FPGXXYFOANYAQQ-ZDUSSCGKSA-N	0	3	261.394	2.290	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)C1(C#N)CCCCC1	ZINC000092630752	285270195	/nfs/dbraw/zinc/27/01/95/285270195.db2.gz	LKTBRWRQPIEDGU-AWEZNQCLSA-N	0	3	277.412	2.403	10	30		CEEEHN
CCCN[C@]1(C#N)CCC[C@@H](N2CCC(OC)CC2)C1	ZINC000093742450	184711098	/nfs/dbraw/zinc/71/10/98/184711098.db2.gz	XQNIRXGFQBFKBR-GDBMZVCRSA-N	0	3	279.428	2.302	10	30		CEEEHN
Cc1nc(NC(=O)c2csc(C#CCN)c2)sc1C	ZINC000093976013	184747208	/nfs/dbraw/zinc/74/72/08/184747208.db2.gz	HLKYXUCZUPJNAC-UHFFFAOYSA-N	0	3	291.401	2.384	10	30		CEEEHN
N#CC1(c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)CC1	ZINC000181515712	395218961	/nfs/dbraw/zinc/21/89/61/395218961.db2.gz	QSVZIMGAVXVTRN-INIZCTEOSA-N	0	3	295.386	2.162	10	30		CEEEHN
COCCN1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C	ZINC000186207795	395287598	/nfs/dbraw/zinc/28/75/98/395287598.db2.gz	BHVGQSFIZOXEOU-OAHLLOKOSA-N	0	3	287.407	2.019	10	30		CEEEHN
C(#Cc1ccccc1)CN1CCC[C@H](Cn2cncn2)C1	ZINC000192027008	395370045	/nfs/dbraw/zinc/37/00/45/395370045.db2.gz	ZNRHDCNXKGFPEI-KRWDZBQOSA-N	0	3	280.375	2.042	10	30		CEEEHN
C=CCOCCN1C[C@@H]2CCCCN2C[C@H]1CC	ZINC000302328169	400331431	/nfs/dbraw/zinc/33/14/31/400331431.db2.gz	FVUFYWRGBNYYLQ-CABCVRRESA-N	0	3	252.402	2.138	10	30		CEEEHN
CN(CCC#N)C(=O)CN1CCC[C@H]2CCCC[C@@H]21	ZINC000035174435	172027863	/nfs/dbraw/zinc/02/78/63/172027863.db2.gz	NFSFYRRRFMJFJX-KGLIPLIRSA-N	0	3	263.385	2.013	10	30		CEEEHN
CC[C@@H]1CCCN1C(=O)c1ccccc1C#CCN	ZINC000037915535	173849956	/nfs/dbraw/zinc/84/99/56/173849956.db2.gz	JGBYFSGPDXAHJZ-CQSZACIVSA-N	0	3	256.349	2.011	10	30		CEEEHN
C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1C(C)C	ZINC000661117104	415103252	/nfs/dbraw/zinc/10/32/52/415103252.db2.gz	OHXIQLIBPZXGTA-STQMWFEESA-N	0	3	263.389	2.479	10	30		CEEEHN
N#Cc1c(F)cccc1O[C@H](CN)c1cccnc1	ZINC000043351242	175019951	/nfs/dbraw/zinc/01/99/51/175019951.db2.gz	RBMGJJYYUOPSPH-CQSZACIVSA-N	0	3	257.268	2.171	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCC[C@H]1CCO	ZINC000044811815	175258136	/nfs/dbraw/zinc/25/81/36/175258136.db2.gz	ZIKCKSAWBRUKDD-HOTGVXAUSA-N	0	3	286.375	2.132	10	30		CEEEHN
CCN(C[C@H]1CCCO1)C(=O)C(C#N)Cc1ccccc1	ZINC000044824558	175259438	/nfs/dbraw/zinc/25/94/38/175259438.db2.gz	XZQUYRMQZGUSLF-HZPDHXFCSA-N	0	3	286.375	2.396	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1ccc(C#CCN)c(F)c1	ZINC000045091842	175305798	/nfs/dbraw/zinc/30/57/98/175305798.db2.gz	QNUGRVQYFKKTED-UHFFFAOYSA-N	0	3	276.355	2.254	10	30		CEEEHN
C=CCCOc1c(OC)cc(CNCCOC)cc1OC	ZINC000071275014	176106053	/nfs/dbraw/zinc/10/60/53/176106053.db2.gz	VMDJWMMNJGUUAC-UHFFFAOYSA-N	0	3	295.379	2.395	10	30		CEEEHN
C[C@H]1CN2CCC[C@H]2CN1Cc1cc(C#N)cs1	ZINC000245737087	280259048	/nfs/dbraw/zinc/25/90/48/280259048.db2.gz	LATLCJBVGHPXJS-AAEUAGOBSA-N	0	3	261.394	2.288	10	30		CEEEHN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000249284299	280391217	/nfs/dbraw/zinc/39/12/17/280391217.db2.gz	OQIXSEBXQUVBAE-RKVPGOIHSA-N	0	3	299.418	2.272	10	30		CEEEHN
N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCO[C@H](C(F)(F)F)C1	ZINC000336787713	328841126	/nfs/dbraw/zinc/84/11/26/328841126.db2.gz	MMDDBPNFNACVIQ-VLEAKVRGSA-N	0	3	262.275	2.378	10	30		CEEEHN
C=C[C@](C)(CCOC)C(=O)N(C)C[C@H]1CCCN1CC	ZINC000189203823	329377062	/nfs/dbraw/zinc/37/70/62/329377062.db2.gz	HAGNRSBLDNCRHF-GDBMZVCRSA-N	0	3	282.428	2.158	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000185831497	333149921	/nfs/dbraw/zinc/14/99/21/333149921.db2.gz	KMNBOBCRPPTTSV-IHRRRGAJSA-N	0	3	252.402	2.434	10	30		CEEEHN
CCCNCc1nccn1Cc1ccccc1C#N	ZINC000051005275	519969025	/nfs/dbraw/zinc/96/90/25/519969025.db2.gz	PNUVBGHIOCVMSP-UHFFFAOYSA-N	0	3	254.337	2.303	10	30		CEEEHN
CC[C@H](C)[C@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000049105801	521933283	/nfs/dbraw/zinc/93/32/83/521933283.db2.gz	VSONWXCLKJGVMV-STQMWFEESA-N	0	3	258.365	2.161	10	30		CEEEHN
CC[C@@H](C)N1CCN(CCCC[C@@](C)(C#N)NC)CC1	ZINC000055070182	522118783	/nfs/dbraw/zinc/11/87/83/522118783.db2.gz	FVTOQDVNMXNQMQ-CVEARBPZSA-N	0	3	280.460	2.074	10	30		CEEEHN
CC[C@H](C)N(CCOC)CC[C@@H](C#N)NC(C)C	ZINC000062437411	523939595	/nfs/dbraw/zinc/93/95/95/523939595.db2.gz	CVOYQVZWFYIBGN-KBPBESRZSA-N	0	3	255.406	2.014	10	30		CEEEHN
COCCNCc1cc(C)c(O[C@@H](C)C#N)c(C)c1	ZINC000062728707	523948447	/nfs/dbraw/zinc/94/84/47/523948447.db2.gz	BSBCLEXCXMHHRZ-ZDUSSCGKSA-N	0	3	262.353	2.330	10	30		CEEEHN
NCC#Cc1ccc(C(=O)NC2CCCCCCC2)nc1	ZINC000061871629	527149252	/nfs/dbraw/zinc/14/92/52/527149252.db2.gz	SVJLXKDREABQRN-UHFFFAOYSA-N	0	3	285.391	2.235	10	30		CEEEHN
N#Cc1ccc(NC(=O)C2(N)CCCCC2)c([N+](=O)[O-])c1	ZINC000096601329	185108298	/nfs/dbraw/zinc/10/82/98/185108298.db2.gz	JFYPSJPWXSQCGZ-UHFFFAOYSA-N	0	3	288.307	2.067	10	30		CEEEHN
C#CCOc1ccc(Cl)cc1CNCCOC	ZINC000045945884	362171876	/nfs/dbraw/zinc/17/18/76/362171876.db2.gz	YEJIZAITNICQSH-UHFFFAOYSA-N	0	3	253.729	2.088	10	30		CEEEHN
Cc1ccc(C#N)c(NCCCNCc2cccnc2)n1	ZINC000063197173	362758419	/nfs/dbraw/zinc/75/84/19/362758419.db2.gz	ODSMXQHWTCAXKQ-UHFFFAOYSA-N	0	3	281.363	2.249	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccc(Cl)s1	ZINC000086139184	179236652	/nfs/dbraw/zinc/23/66/52/179236652.db2.gz	KKANYHWGDHVLSZ-MRVPVSSYSA-N	0	3	258.774	2.354	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)N(CC1CC1)C1CC1	ZINC000087748611	179480315	/nfs/dbraw/zinc/48/03/15/179480315.db2.gz	RSPNVCZCTZPFGR-UHFFFAOYSA-N	0	3	282.387	2.320	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@H]1N	ZINC000090589689	180010296	/nfs/dbraw/zinc/01/02/96/180010296.db2.gz	AEMNADLUUQSHEZ-HIFRSBDPSA-N	0	3	292.404	2.267	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)[C@H]2Cc3ccccc32)c1	ZINC000090985724	180080690	/nfs/dbraw/zinc/08/06/90/180080690.db2.gz	SQWQTUGQWZDCOV-INIZCTEOSA-N	0	3	296.395	2.014	10	30		CEEEHN
N#Cc1cc(NC(=O)C[C@H]2CSCCN2)ccc1Cl	ZINC000091134870	180103537	/nfs/dbraw/zinc/10/35/37/180103537.db2.gz	LTNAEHVZUUFNMX-NSHDSACASA-N	0	3	295.795	2.245	10	30		CEEEHN
CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)CC2CC(O)C2)C1	ZINC000091462942	180162435	/nfs/dbraw/zinc/16/24/35/180162435.db2.gz	JEAYEDQCLIJZJS-DMVUBFGOSA-N	0	3	250.386	2.408	10	30		CEEEHN
C[C@H]1CCCCC[C@H]1NC(=O)c1ccncc1C#CCN	ZINC000091463687	180162570	/nfs/dbraw/zinc/16/25/70/180162570.db2.gz	VKLTUHGANNJYQX-XJKSGUPXSA-N	0	3	285.391	2.090	10	30		CEEEHN
CSC1(C#N)CCN(CC2(O)CCCC2)CC1	ZINC000091471109	180164883	/nfs/dbraw/zinc/16/48/83/180164883.db2.gz	BCUSZRXLLJIETI-UHFFFAOYSA-N	0	3	254.399	2.013	10	30		CEEEHN
C=C(C)COCCN[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000091397687	180147623	/nfs/dbraw/zinc/14/76/23/180147623.db2.gz	MTXWVLKGNGRWDO-NSHDSACASA-N	0	3	275.352	2.100	10	30		CEEEHN
CCN(CC)C(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000091962383	180293373	/nfs/dbraw/zinc/29/33/73/180293373.db2.gz	HCZIKNMCICGXAZ-ZDUSSCGKSA-N	0	3	273.380	2.109	10	30		CEEEHN
CC(C)[C@H](CO)NC1CC(C#N)(c2ccccc2)C1	ZINC000092392507	180375835	/nfs/dbraw/zinc/37/58/35/180375835.db2.gz	LXIVYUDQTFEJOA-PCKAHOCUSA-N	0	3	258.365	2.217	10	30		CEEEHN
CN(Cc1cccc(C#N)c1)Cc1cc(N)ccn1	ZINC000092419054	180382739	/nfs/dbraw/zinc/38/27/39/180382739.db2.gz	ZAUXKEANHUCMLA-UHFFFAOYSA-N	0	3	252.321	2.167	10	30		CEEEHN
C=CCNCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1	ZINC000092475006	180394159	/nfs/dbraw/zinc/39/41/59/180394159.db2.gz	RSJGMXZIRWRAQM-CQSZACIVSA-N	0	3	294.782	2.016	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1cc(C#CCN)ccc1F	ZINC000110847581	186328189	/nfs/dbraw/zinc/32/81/89/186328189.db2.gz	MXYOWEITIVZFLX-UHFFFAOYSA-N	0	3	288.366	2.398	10	30		CEEEHN
C#CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@@H](C)NCC	ZINC000110960465	186337109	/nfs/dbraw/zinc/33/71/09/186337109.db2.gz	GYBBTSZLXKVBPJ-ZIAGYGMSSA-N	0	3	288.391	2.182	10	30		CEEEHN
C=CCC[C@H](CN1CCCOCC1)Oc1ncc(F)cn1	ZINC000072432152	363135655	/nfs/dbraw/zinc/13/56/55/363135655.db2.gz	MEFAKQHNFHZGJU-CQSZACIVSA-N	0	3	295.358	2.052	10	30		CEEEHN
N#Cc1ccc(Cl)cc1NC[C@@H](O)CN1CCCCC1	ZINC000174683622	283150373	/nfs/dbraw/zinc/15/03/73/283150373.db2.gz	CVYZUCNKWXOVMI-CQSZACIVSA-N	0	3	293.798	2.470	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@H]1CCCc2sccc21	ZINC000061362389	126121010	/nfs/dbraw/zinc/12/10/10/126121010.db2.gz	GIUCZJYHGZVSCE-PWSUYJOCSA-N	0	3	264.394	2.406	10	30		CEEEHN
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCSCC#N	ZINC000245500064	370829139	/nfs/dbraw/zinc/82/91/39/370829139.db2.gz	ZJIGGQAVAGKZSY-MCIONIFRSA-N	0	3	296.436	2.439	10	30		CEEEHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)C(C)C	ZINC000245964830	370895156	/nfs/dbraw/zinc/89/51/56/370895156.db2.gz	DMASGYUEHLUCGY-OAGGEKHMSA-N	0	3	294.439	2.369	10	30		CEEEHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCOCC2	ZINC000185659148	368838549	/nfs/dbraw/zinc/83/85/49/368838549.db2.gz	BWWSSHSRLUBSAL-HUUCEWRRSA-N	0	3	290.363	2.215	10	30		CEEEHN
C=CCN(CCOC)CCN(C)Cc1ccc(F)cc1	ZINC000191140689	369683388	/nfs/dbraw/zinc/68/33/88/369683388.db2.gz	MKYCHXOLEMAORR-UHFFFAOYSA-N	0	3	280.387	2.392	10	30		CEEEHN
Fc1ccc(C#CCN2CCN3CCCC[C@H]3C2)cc1	ZINC000246820128	371015557	/nfs/dbraw/zinc/01/55/57/371015557.db2.gz	NSOBHGQOPURJRL-KRWDZBQOSA-N	0	3	272.367	2.347	10	30		CEEEHN
CN(C[C@@H]1CCN(C)C1)c1nc(Cl)c(C#N)s1	ZINC000287862319	376330544	/nfs/dbraw/zinc/33/05/44/376330544.db2.gz	MEWVYKACFDRSDG-MRVPVSSYSA-N	0	3	270.789	2.056	10	30		CEEEHN
C#CCOC[C@@H](O)CN(Cc1ccc(C)s1)C1CC1	ZINC000036101324	394494822	/nfs/dbraw/zinc/49/48/22/394494822.db2.gz	VMBMNBZDBDTEEY-AWEZNQCLSA-N	0	3	279.405	2.032	10	30		CEEEHN
CN(C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1	ZINC000359669639	394769723	/nfs/dbraw/zinc/76/97/23/394769723.db2.gz	GCQRTUASIOVTPV-HUUCEWRRSA-N	0	3	271.364	2.170	10	30		CEEEHN
C[C@H]1CN2CCC[C@@H]2CN1c1nc(Cl)c(C#N)s1	ZINC000287421739	395041634	/nfs/dbraw/zinc/04/16/34/395041634.db2.gz	QGSWPZZJTKNQOV-DTWKUNHWSA-N	0	3	282.800	2.341	10	30		CEEEHN
Cc1cnn([C@H]2CCCN(CCCSCC#N)C2)c1	ZINC000173888443	395116903	/nfs/dbraw/zinc/11/69/03/395116903.db2.gz	OSGKONLDMPXSMR-AWEZNQCLSA-N	0	3	278.425	2.475	10	30		CEEEHN
N#Cc1cc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)ccc1F	ZINC000398994655	395240707	/nfs/dbraw/zinc/24/07/07/395240707.db2.gz	JMVBESIQRNBQRL-CFVMTHIKSA-N	0	3	274.339	2.290	10	30		CEEEHN
CCCCOC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000227889312	153355040	/nfs/dbraw/zinc/35/50/40/153355040.db2.gz	RKDYOMGVAMSYCU-BBRMVZONSA-N	0	3	276.380	2.386	10	30		CEEEHN
N#CCOc1ccc(N[C@@H]2CN3CCC2CC3)cc1	ZINC000020441395	171205181	/nfs/dbraw/zinc/20/51/81/171205181.db2.gz	UYBIIXAHIKUCJO-OAHLLOKOSA-N	0	3	257.337	2.095	10	30		CEEEHN
NCC#Cc1ccsc1CSc1ncccn1	ZINC000043690496	175096421	/nfs/dbraw/zinc/09/64/21/175096421.db2.gz	TYCMOCKRLOMXQL-UHFFFAOYSA-N	0	3	261.375	2.141	10	30		CEEEHN
CCN(CC[C@](C)(C#N)NC(C)C)C[C@@H]1CCCO1	ZINC000045182071	175325324	/nfs/dbraw/zinc/32/53/24/175325324.db2.gz	ZVQBCPGJBNMKJC-LSDHHAIUSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCCN1CCN(CCCC[C@@](C)(C#N)NC(C)C)CC1	ZINC000045306470	175355747	/nfs/dbraw/zinc/35/57/47/175355747.db2.gz	KEUMTDOBYGBHKG-KRWDZBQOSA-N	0	3	294.487	2.465	10	30		CEEEHN
CCCN1CCN(CCCC[C@](C)(C#N)NC(C)C)CC1	ZINC000045306472	175355867	/nfs/dbraw/zinc/35/58/67/175355867.db2.gz	KEUMTDOBYGBHKG-QGZVFWFLSA-N	0	3	294.487	2.465	10	30		CEEEHN
CCCN[C@H]1CCCN(c2ccc(CC#N)cc2)C1=O	ZINC000071041468	176028140	/nfs/dbraw/zinc/02/81/40/176028140.db2.gz	NKDRVSBLGDKQND-HNNXBMFYSA-N	0	3	271.364	2.248	10	30		CEEEHN
CCN(CC)CCN[C@@](C)(C#N)Cc1ccc(OC)cc1	ZINC000071169532	176050313	/nfs/dbraw/zinc/05/03/13/176050313.db2.gz	WNIPJZTXOUULOK-QGZVFWFLSA-N	0	3	289.423	2.451	10	30		CEEEHN
C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1	ZINC000034456926	274362664	/nfs/dbraw/zinc/36/26/64/274362664.db2.gz	RDQNANLIGIAWKG-SECBINFHSA-N	0	3	269.270	2.375	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C#N)cc1	ZINC000092630765	276181477	/nfs/dbraw/zinc/18/14/77/276181477.db2.gz	SHJUTVBSHSGZGE-HNNXBMFYSA-N	0	3	271.364	2.115	10	30		CEEEHN
CC(C)(C#N)CCCN1CCC[C@H](n2cncn2)C1	ZINC000174847469	329163966	/nfs/dbraw/zinc/16/39/66/329163966.db2.gz	PEDAOROYCILQRG-ZDUSSCGKSA-N	0	3	261.373	2.245	10	30		CEEEHN
C=C(C)CN(C)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000181402649	329232598	/nfs/dbraw/zinc/23/25/98/329232598.db2.gz	ADVRWIVGNNDKPR-CYBMUJFWSA-N	0	3	255.406	2.180	10	30		CEEEHN
C=C(Br)CN1C[C@@H]2CCCCN2C[C@@H]1C	ZINC000227384452	329272282	/nfs/dbraw/zinc/27/22/82/329272282.db2.gz	PAFJBGQREHYWIO-RYUDHWBXSA-N	0	3	273.218	2.454	10	30		CEEEHN
C[C@@H](NC[C@H](C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400464390	329708284	/nfs/dbraw/zinc/70/82/84/329708284.db2.gz	VQEMPZVOZPOCPL-JHJVBQTASA-N	0	3	281.400	2.381	10	30		CEEEHN
C=CC[C@H](C)[C@H](C)[NH2+]C1CC(N(CC)CC(=O)[O-])C1	ZINC000263527178	330058821	/nfs/dbraw/zinc/05/88/21/330058821.db2.gz	UPFSWUMCZVRKDD-FEPKRQSRSA-N	0	3	268.401	2.114	10	30		CEEEHN
CN(CCN[C@@H]1CCC[C@H]1C#N)Cc1ccccc1	ZINC000386745947	336177996	/nfs/dbraw/zinc/17/79/96/336177996.db2.gz	ZPOYZFIWYNEOJP-JKSUJKDBSA-N	0	3	257.381	2.400	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N(CCOC)[C@@H](C)COC	ZINC000068613296	520031157	/nfs/dbraw/zinc/03/11/57/520031157.db2.gz	QWVXOKSVWKAHNY-HRCADAONSA-N	0	3	299.459	2.030	10	30		CEEEHN
C#CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)NCC	ZINC000062746837	518282557	/nfs/dbraw/zinc/28/25/57/518282557.db2.gz	RTEXCZSTYQGIDU-VXGBXAGGSA-N	0	3	292.354	2.013	10	30		CEEEHN
CC(C)CN1CCN([C@@H](C)C[C@](C)(C#N)NC2CC2)CC1	ZINC000068615066	519727542	/nfs/dbraw/zinc/72/75/42/519727542.db2.gz	VQJGSAXFMFVHDS-DOTOQJQBSA-N	0	3	292.471	2.073	10	30		CEEEHN
CC(C)CNCc1cc2c(cc1O[C@H](C)C#N)OCO2	ZINC000062733967	519747181	/nfs/dbraw/zinc/74/71/81/519747181.db2.gz	UDQDIDRCADKYJH-LLVKDONJSA-N	0	3	276.336	2.452	10	30		CEEEHN
CC(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000070125980	519789993	/nfs/dbraw/zinc/78/99/93/519789993.db2.gz	CGGNPRGTPSFZCJ-ZIAGYGMSSA-N	0	3	272.392	2.466	10	30		CEEEHN
CCC1CCC(NC(=O)c2cncc(C#CCN)c2)CC1	ZINC000049629644	519856280	/nfs/dbraw/zinc/85/62/80/519856280.db2.gz	RBKLLWKEYUBKAK-UHFFFAOYSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC[C@@H](C#N)Oc1c(CNCCOC)cccc1OC	ZINC000062732421	521801977	/nfs/dbraw/zinc/80/19/77/521801977.db2.gz	MLCFDJHTZKSRAT-ZDUSSCGKSA-N	0	3	278.352	2.112	10	30		CEEEHN
CC[C@@H](C#N)Oc1cc(OC)ccc1CNCCOC	ZINC000062733340	521802057	/nfs/dbraw/zinc/80/20/57/521802057.db2.gz	QANJVRPOODYCCW-ZDUSSCGKSA-N	0	3	278.352	2.112	10	30		CEEEHN
CNCc1cc(OC)ccc1OCc1cccnc1C#N	ZINC000061656404	522113307	/nfs/dbraw/zinc/11/33/07/522113307.db2.gz	MNWJHZNGIPFUHE-UHFFFAOYSA-N	0	3	283.331	2.260	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(OC)c(C#CCN)c1	ZINC000049105850	522294174	/nfs/dbraw/zinc/29/41/74/522294174.db2.gz	ZKCVSHSRDGJKBJ-CHWSQXEVSA-N	0	3	288.391	2.170	10	30		CEEEHN
COCC1CCN([C@H](C)C[C@](C)(C#N)NC2CC2)CC1	ZINC000068616620	522938998	/nfs/dbraw/zinc/93/89/98/522938998.db2.gz	ZNXLDMQRQPGBNH-CZUORRHYSA-N	0	3	279.428	2.158	10	30		CEEEHN
COCCCN(CCOC)[C@H](C)C[C@@](C)(C#N)NC(C)C	ZINC000068612894	523259312	/nfs/dbraw/zinc/25/93/12/523259312.db2.gz	OKYGUHQLQKMQKE-CVEARBPZSA-N	0	3	299.459	2.030	10	30		CEEEHN
COc1ccc(C#CCCO)cc1CN1CCCCC1	ZINC000049616738	523510917	/nfs/dbraw/zinc/51/09/17/523510917.db2.gz	FJBNZBKFVJFAMI-UHFFFAOYSA-N	0	3	273.376	2.415	10	30		CEEEHN
COc1ccc(C#CCN)cc1Cn1nc(C)c(C)c1C	ZINC000049610242	523516215	/nfs/dbraw/zinc/51/62/15/523516215.db2.gz	JCXLABMTZQBOFT-UHFFFAOYSA-N	0	3	283.375	2.175	10	30		CEEEHN
COc1ccc(C#CCN)cc1NC(=O)c1ccc(C)o1	ZINC000049587321	523516476	/nfs/dbraw/zinc/51/64/76/523516476.db2.gz	MHDDUSPRLRCTOK-UHFFFAOYSA-N	0	3	284.315	2.159	10	30		CEEEHN
COc1ccc(CN2CCCCC2)cc1C#CCO	ZINC000049616749	524025508	/nfs/dbraw/zinc/02/55/08/524025508.db2.gz	AFODNGJGDDWZSI-UHFFFAOYSA-N	0	3	259.349	2.025	10	30		CEEEHN
C[C@H](CN1CCCC1)NCc1ccc(C#N)cc1F	ZINC000049180280	524317092	/nfs/dbraw/zinc/31/70/92/524317092.db2.gz	IWJLYVBPYXZCJN-GFCCVEGCSA-N	0	3	261.344	2.271	10	30		CEEEHN
Cc1cc(SCc2ccc(C#CCN)cc2F)n(C)n1	ZINC000052311595	525437066	/nfs/dbraw/zinc/43/70/66/525437066.db2.gz	ZDQYEVOPKAOQCI-UHFFFAOYSA-N	0	3	289.379	2.470	10	30		CEEEHN
N#CC(C(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCCO2	ZINC000050963952	526492251	/nfs/dbraw/zinc/49/22/51/526492251.db2.gz	NYYWXFQHPIJOKS-TZMCWYRMSA-N	0	3	287.315	2.203	10	30		CEEEHN
N#Cc1cccc(C(=O)Nc2ccc3c(c2)CNCC3)c1	ZINC000069052665	526700111	/nfs/dbraw/zinc/70/01/11/526700111.db2.gz	NMVVWASZAFJBMH-UHFFFAOYSA-N	0	3	277.327	2.456	10	30		CEEEHN
Cc1occc1C(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049586941	526801668	/nfs/dbraw/zinc/80/16/68/526801668.db2.gz	DJHVGAWQGPHJDH-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)CC[C@H]2CCCCO2)c1	ZINC000069399458	527152990	/nfs/dbraw/zinc/15/29/90/527152990.db2.gz	XSDFHEHVSLUERA-MRXNPFEDSA-N	0	3	286.375	2.285	10	30		CEEEHN
Cn1ccnc1SCc1ccc(F)cc1C#CCN	ZINC000049611275	527449119	/nfs/dbraw/zinc/44/91/19/527449119.db2.gz	VQCIGOCOAQGTHF-UHFFFAOYSA-N	0	3	275.352	2.162	10	30		CEEEHN
CCC[C@@H](C(=O)NCc1cc(C#N)ccc1F)N(C)C	ZINC000121344571	365556524	/nfs/dbraw/zinc/55/65/24/365556524.db2.gz	JDGYXUVQAPQMIT-AWEZNQCLSA-N	0	3	277.343	2.044	10	30		CEEEHN
C=CCN1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21	ZINC000096042531	185069868	/nfs/dbraw/zinc/06/98/68/185069868.db2.gz	KCUIEOKCTQGIQB-OAGGEKHMSA-N	0	3	274.364	2.016	10	30		CEEEHN
C[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccc(C#N)cc1	ZINC000037749538	361928909	/nfs/dbraw/zinc/92/89/09/361928909.db2.gz	VYQFRGVGQFCSTJ-IUODEOHRSA-N	0	3	276.380	2.385	10	30		CEEEHN
C#CCOc1ccc(Cl)cc1CN[C@H](CC)CO	ZINC000045945672	362171023	/nfs/dbraw/zinc/17/10/23/362171023.db2.gz	UJVXVMDNQNQRKJ-CYBMUJFWSA-N	0	3	267.756	2.213	10	30		CEEEHN
C=CCOc1cccc(CN2CCO[C@H](CN(C)C)C2)c1	ZINC000128139128	187353934	/nfs/dbraw/zinc/35/39/34/187353934.db2.gz	CLCLMVCRTVJUPB-QGZVFWFLSA-N	0	3	290.407	2.014	10	30		CEEEHN
C[C@@H](C#N)Oc1ccc(Br)c(CN)c1	ZINC000127964250	344332833	/nfs/dbraw/zinc/33/28/33/344332833.db2.gz	WHZNBEKJYBEGTC-ZETCQYMHSA-N	0	3	255.115	2.199	10	30		CEEEHN
C#CCOc1c(C)cc(Br)cc1CN	ZINC000159308483	344454649	/nfs/dbraw/zinc/45/46/49/344454649.db2.gz	UWJIWWFIHMJLGB-UHFFFAOYSA-N	0	3	254.127	2.228	10	30		CEEEHN
CCC[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000233306316	344581074	/nfs/dbraw/zinc/58/10/74/344581074.db2.gz	LCXHDMYUCXGAFO-UKRRQHHQSA-N	0	3	292.404	2.110	10	30		CEEEHN
N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccn1	ZINC000253092755	344642726	/nfs/dbraw/zinc/64/27/26/344642726.db2.gz	LKOXVIRYCKWPPX-ZACQAIPSSA-N	0	3	285.391	2.469	10	30		CEEEHN
CCOC(=O)C1CCC(N[C@H]2CCC[C@H]2C#N)CC1	ZINC000336814037	365855291	/nfs/dbraw/zinc/85/52/91/365855291.db2.gz	WESOTCZVKKSBKZ-YIOUJQMASA-N	0	3	264.369	2.390	10	30		CEEEHN
N#CC1(c2ccccc2)CC(NCCn2cccn2)C1	ZINC000086037492	179221198	/nfs/dbraw/zinc/22/11/98/179221198.db2.gz	TWJANZBQORYDOB-UHFFFAOYSA-N	0	3	266.348	2.097	10	30		CEEEHN
Cc1ccc(C#CCN)cc1NC(=O)c1ccncc1F	ZINC000086316936	179269943	/nfs/dbraw/zinc/26/99/43/179269943.db2.gz	RXJMXNCZESIIHD-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccc(C#N)c1	ZINC000086446695	179295571	/nfs/dbraw/zinc/29/55/71/179295571.db2.gz	UKAIUXQPWIMYTO-LSDHHAIUSA-N	0	3	271.364	2.161	10	30		CEEEHN
CCN(CC)CCN[C@H](C#N)c1ccc(OC)c(F)c1	ZINC000086992558	179375234	/nfs/dbraw/zinc/37/52/34/179375234.db2.gz	IQJJNDGZYLYVCJ-CQSZACIVSA-N	0	3	279.359	2.330	10	30		CEEEHN
CSC1(C#N)CCN(CC[C@@H]2CCCO2)CC1	ZINC000091477386	180166235	/nfs/dbraw/zinc/16/62/35/180166235.db2.gz	YVLSVDCQWHCIJL-LBPRGKRZSA-N	0	3	254.399	2.277	10	30		CEEEHN
Cc1ccc(NC(=O)N2CCCCC2)cc1C#CCN	ZINC000091969696	180295021	/nfs/dbraw/zinc/29/50/21/180295021.db2.gz	VSUVDDUXHZITTB-UHFFFAOYSA-N	0	3	271.364	2.323	10	30		CEEEHN
N#C[C@@]1([C@]2(O)CCN(C3CC3)C2)CCCc2ccccc21	ZINC000091878846	180278611	/nfs/dbraw/zinc/27/86/11/180278611.db2.gz	LNEVBSZVCBXVQM-ROUUACIJSA-N	0	3	282.387	2.383	10	30		CEEEHN
NCC#Cc1cc(F)ccc1NC(=O)N1CCCCC1	ZINC000091969679	180295058	/nfs/dbraw/zinc/29/50/58/180295058.db2.gz	JOXOUOWMHYCJDP-UHFFFAOYSA-N	0	3	275.327	2.154	10	30		CEEEHN
NCC#Cc1ccccc1NC(=O)N1CCCCCC1	ZINC000091971823	180295748	/nfs/dbraw/zinc/29/57/48/180295748.db2.gz	DZFVGSQTLHFQOU-UHFFFAOYSA-N	0	3	271.364	2.405	10	30		CEEEHN
C[C@H]1CN(Cc2ccc(C#CCO)cc2F)C[C@H]1C	ZINC000092087046	180321490	/nfs/dbraw/zinc/32/14/90/180321490.db2.gz	YNPXASZFRULLKV-BETUJISGSA-N	0	3	261.340	2.257	10	30		CEEEHN
C=CCNCC(=O)N1CCc2sccc2[C@H]1CC	ZINC000106035681	186099473	/nfs/dbraw/zinc/09/94/73/186099473.db2.gz	JQRXYZVTTKBAAS-GFCCVEGCSA-N	0	3	264.394	2.360	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2cccc(C#CCN)c2)CC1	ZINC000110817760	186327122	/nfs/dbraw/zinc/32/71/22/186327122.db2.gz	BJMOYPLHFLSQOV-AWEZNQCLSA-N	0	3	270.376	2.259	10	30		CEEEHN
CN(Cc1cc(C#CCCO)cs1)C[C@@H]1CCCOC1	ZINC000111168244	186364524	/nfs/dbraw/zinc/36/45/24/186364524.db2.gz	KEDMBAYUXCVQFH-HNNXBMFYSA-N	0	3	293.432	2.340	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)c1cc(C#N)cs1	ZINC000177211598	189036777	/nfs/dbraw/zinc/03/67/77/189036777.db2.gz	SAQPDYWLCMRIRK-LBPRGKRZSA-N	0	3	277.393	2.176	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccc(Br)cc1	ZINC000095081769	364334248	/nfs/dbraw/zinc/33/42/48/364334248.db2.gz	XXEHYTNLSRCDPV-JTQLQIEISA-N	0	3	297.196	2.402	10	30		CEEEHN
Cn1cc([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)cn1	ZINC000116323996	365051488	/nfs/dbraw/zinc/05/14/88/365051488.db2.gz	FRURUMRIGHHODO-OAHLLOKOSA-N	0	3	266.348	2.281	10	30		CEEEHN
N#Cc1cc(NC(=O)N2CCN3CCC[C@H]3C2)ccc1F	ZINC000171893933	367635099	/nfs/dbraw/zinc/63/50/99/367635099.db2.gz	NJUNDFLBAUAVAP-ZDUSSCGKSA-N	0	3	288.326	2.009	10	30		CEEEHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@H](C)O1)C(C)C	ZINC000245964823	370894447	/nfs/dbraw/zinc/89/44/47/370894447.db2.gz	DMASGYUEHLUCGY-ARFHVFGLSA-N	0	3	294.439	2.369	10	30		CEEEHN
CCCCOC[C@H](O)CN(C)Cc1cccc(C#N)c1	ZINC000193243952	369909736	/nfs/dbraw/zinc/90/97/36/369909736.db2.gz	VPAIVNIJFONMSP-MRXNPFEDSA-N	0	3	276.380	2.168	10	30		CEEEHN
N#Cc1cc(NC[C@@H]2NCCc3ccccc32)ccn1	ZINC000261648343	371692203	/nfs/dbraw/zinc/69/22/03/371692203.db2.gz	DCGOULSAKSUTRZ-INIZCTEOSA-N	0	3	264.332	2.252	10	30		CEEEHN
N#Cc1ccc(Cl)cc1N1CCC[C@@H](NC2CC2)C1=O	ZINC000086115345	135038520	/nfs/dbraw/zinc/03/85/20/135038520.db2.gz	BFTTZSFFKDESMK-CYBMUJFWSA-N	0	3	289.766	2.459	10	30		CEEEHN
C[C@H]1CN2CCCC[C@@H]2CN1c1cccc(C#N)n1	ZINC000094447261	394671304	/nfs/dbraw/zinc/67/13/04/394671304.db2.gz	XVRMQJTYZNZOPW-GXTWGEPZSA-N	0	3	256.353	2.016	10	30		CEEEHN
Fc1ccc(C#CCN2CCN3CCCC[C@@H]3C2)cc1	ZINC000125280610	394842137	/nfs/dbraw/zinc/84/21/37/394842137.db2.gz	NSOBHGQOPURJRL-QGZVFWFLSA-N	0	3	272.367	2.347	10	30		CEEEHN
Cn1nccc1C1CCN(CCCSCC#N)CC1	ZINC000173877195	395116739	/nfs/dbraw/zinc/11/67/39/395116739.db2.gz	CATAUKCZOXRTJR-UHFFFAOYSA-N	0	3	278.425	2.246	10	30		CEEEHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cccs1	ZINC000182560775	395245172	/nfs/dbraw/zinc/24/51/72/395245172.db2.gz	KRZVCQMOGCEUDM-VXGBXAGGSA-N	0	3	279.409	2.407	10	30		CEEEHN
CCCN1CCN(Cc2cc(C#N)ccc2F)CC1	ZINC000019482510	170810369	/nfs/dbraw/zinc/81/03/69/170810369.db2.gz	YSBOPJCRGVCIIG-UHFFFAOYSA-N	0	3	261.344	2.225	10	30		CEEEHN
CC(C)N(CCC#N)Cc1ccc(C#CCN)s1	ZINC000043684175	175093052	/nfs/dbraw/zinc/09/30/52/175093052.db2.gz	JIEKCVXBNYNWHZ-UHFFFAOYSA-N	0	3	261.394	2.182	10	30		CEEEHN
CC(C)c1nccn1Cc1sccc1C#CCN	ZINC000043684368	175093146	/nfs/dbraw/zinc/09/31/46/175093146.db2.gz	IPEJCOSARJSQPH-UHFFFAOYSA-N	0	3	259.378	2.427	10	30		CEEEHN
NCC#Cc1ccc(CSc2ncccn2)s1	ZINC000043690494	175096447	/nfs/dbraw/zinc/09/64/47/175096447.db2.gz	YLKGKBSTGYRKKJ-UHFFFAOYSA-N	0	3	261.375	2.141	10	30		CEEEHN
CN1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCC1	ZINC000044767399	175249881	/nfs/dbraw/zinc/24/98/81/175249881.db2.gz	QVHRBMYKAHFMKO-CYBMUJFWSA-N	0	3	263.385	2.061	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN1CCN(C(C)(C)C)CC1	ZINC000045182847	175325520	/nfs/dbraw/zinc/32/55/20/175325520.db2.gz	CBJJPKUZHBYUHD-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCN[C@](C)(C#N)CCCN1C[C@@H](C)OC[C@@H]1CC	ZINC000045318237	175359318	/nfs/dbraw/zinc/35/93/18/175359318.db2.gz	ALSCQCQKAUSRAB-ILXRZTDVSA-N	0	3	267.417	2.158	10	30		CEEEHN
CN[C@H](C)c1c(F)cccc1N(CCC#N)CCOC	ZINC000071226110	176089897	/nfs/dbraw/zinc/08/98/97/176089897.db2.gz	BBPPRAGUHDXYQW-GFCCVEGCSA-N	0	3	279.359	2.473	10	30		CEEEHN
Cc1ccncc1NC(=O)c1cc(F)ccc1C#CCN	ZINC000071414778	176159994	/nfs/dbraw/zinc/15/99/94/176159994.db2.gz	VMMJCVUJMHMGBY-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CC[C@H]1CN(CCCC(C)(C)C#N)CCN1C[C@@H](C)O	ZINC000174849183	261199614	/nfs/dbraw/zinc/19/96/14/261199614.db2.gz	PMEGMHXSKFXABT-CABCVRRESA-N	0	3	281.444	2.093	10	30		CEEEHN
C=CCC[C@@H](O)CN1CCC[C@H](n2cc(C)cn2)C1	ZINC000128058825	264273738	/nfs/dbraw/zinc/27/37/38/264273738.db2.gz	ZXXGEIMKBSPAGM-LSDHHAIUSA-N	0	3	263.385	2.156	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1c1nc(Cl)c(C#N)s1	ZINC000287421744	274374512	/nfs/dbraw/zinc/37/45/12/274374512.db2.gz	QGSWPZZJTKNQOV-RKDXNWHRSA-N	0	3	282.800	2.341	10	30		CEEEHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)c(F)c1	ZINC000424068340	330219526	/nfs/dbraw/zinc/21/95/26/330219526.db2.gz	ROEXSTPLMQHUDU-RNCFNFMXSA-N	0	3	281.306	2.163	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)C[C@H](C)N1CCN(C(C)C)CC1	ZINC000068611667	519735873	/nfs/dbraw/zinc/73/58/73/519735873.db2.gz	IBAWXIQWNJHKLA-JKSUJKDBSA-N	0	3	280.460	2.071	10	30		CEEEHN
CCN[C@](C)(C#N)CCCCN1CCN(CC(C)C)CC1	ZINC000055081141	520225547	/nfs/dbraw/zinc/22/55/47/520225547.db2.gz	AHVIOIZIPNXVCG-KRWDZBQOSA-N	0	3	294.487	2.322	10	30		CEEEHN
C#CCNC(=O)[C@@H](C)N[C@H](CCC)c1cccs1	ZINC000049544667	518281880	/nfs/dbraw/zinc/28/18/80/518281880.db2.gz	JRZVRCYCROLBBD-VXGBXAGGSA-N	0	3	264.394	2.317	10	30		CEEEHN
CC(C)(C)CC(=O)NCc1ccccc1C#CCN	ZINC000049586433	518623354	/nfs/dbraw/zinc/62/33/54/518623354.db2.gz	QGWDRHPFJZJDQH-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@H](N)CCOC	ZINC000052808053	519079681	/nfs/dbraw/zinc/07/96/81/519079681.db2.gz	LWHUVYQAPBLCFO-LLVKDONJSA-N	0	3	280.393	2.267	10	30		CEEEHN
CC(C)N(CCC#N)Cc1nc(NN)ccc1Cl	ZINC000061638549	519641481	/nfs/dbraw/zinc/64/14/81/519641481.db2.gz	RCQJZNJZVQBOHU-UHFFFAOYSA-N	0	3	267.764	2.145	10	30		CEEEHN
CC(C)OCCOCc1ccc(C#CCN)cc1F	ZINC000049610779	519768600	/nfs/dbraw/zinc/76/86/00/519768600.db2.gz	KTUMQPIPRYAIQU-UHFFFAOYSA-N	0	3	265.328	2.078	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000061318612	521944780	/nfs/dbraw/zinc/94/47/80/521944780.db2.gz	ZZJYQNKGCSTKNW-UHFFFAOYSA-N	0	3	263.366	2.045	10	30		CEEEHN
CNCc1ccc(OCCCCC#N)c([N+](=O)[O-])c1	ZINC000049578226	522123542	/nfs/dbraw/zinc/12/35/42/522123542.db2.gz	AEXMTFJHIVYZPG-UHFFFAOYSA-N	0	3	263.297	2.387	10	30		CEEEHN
CC[C@@H]([NH3+])[C@@]([O-])(c1cccc(C#N)c1)C(F)(F)F	ZINC000062784330	522652106	/nfs/dbraw/zinc/65/21/06/522652106.db2.gz	UMROIKADTLJMGZ-MNOVXSKESA-N	0	3	258.243	2.045	10	30		CEEEHN
CC[C@@H](NC(=O)c1cc(F)ccc1C#CCN)C(C)C	ZINC000049148554	522776382	/nfs/dbraw/zinc/77/63/82/522776382.db2.gz	YCRIGAGNOIGSND-OAHLLOKOSA-N	0	3	276.355	2.300	10	30		CEEEHN
COc1ccc(CN2CCCC2)cc1C#CCCO	ZINC000049615576	524025929	/nfs/dbraw/zinc/02/59/29/524025929.db2.gz	GUMXDTUYTCZFCL-UHFFFAOYSA-N	0	3	259.349	2.025	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)cc2F)[C@H]1C	ZINC000050568538	524208619	/nfs/dbraw/zinc/20/86/19/524208619.db2.gz	XCMGYNHWYUXWQT-OLZOCXBDSA-N	0	3	288.366	2.397	10	30		CEEEHN
Cc1cccc(C)c1NC(=O)c1cncc(C#CCN)c1	ZINC000049629372	524297738	/nfs/dbraw/zinc/29/77/38/524297738.db2.gz	VIZVOSQXGLAUEQ-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
N#Cc1ccc(NC[C@@H](O)CN2CCCCC2)cc1Cl	ZINC000174684886	534795590	/nfs/dbraw/zinc/79/55/90/534795590.db2.gz	JMPBNAAYMMXYFP-CQSZACIVSA-N	0	3	293.798	2.470	10	30		CEEEHN
C[C@@H](NC(=O)CC(F)(F)F)c1cccc(C#CCN)c1	ZINC000049587215	525076001	/nfs/dbraw/zinc/07/60/01/525076001.db2.gz	LKDPVQOIPLNHOP-SNVBAGLBSA-N	0	3	284.281	2.126	10	30		CEEEHN
COc1ccc(C(C#N)C(=O)[C@@H]2CCCCO2)cc1	ZINC000050963862	525115056	/nfs/dbraw/zinc/11/50/56/525115056.db2.gz	GOMIGRLWNRURAB-KGLIPLIRSA-N	0	3	259.305	2.441	10	30		CEEEHN
C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#CCN)cc1F	ZINC000050568537	525636904	/nfs/dbraw/zinc/63/69/04/525636904.db2.gz	XCMGYNHWYUXWQT-QWHCGFSZSA-N	0	3	288.366	2.397	10	30		CEEEHN
Cc1nn(Cc2ccccc2C#CCN)c(C)c1C	ZINC000049610240	526296417	/nfs/dbraw/zinc/29/64/17/526296417.db2.gz	HKXBQGRNIVIGHP-UHFFFAOYSA-N	0	3	253.349	2.167	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2ccccc2F)cc1	ZINC000049586284	527150555	/nfs/dbraw/zinc/15/05/55/527150555.db2.gz	XJUOIDWAVBNPOM-UHFFFAOYSA-N	0	3	282.318	2.066	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)Cc2cccc(Cl)c2)n1	ZINC000052945398	527153401	/nfs/dbraw/zinc/15/34/01/527153401.db2.gz	HJRXUPCBLHXXRB-UHFFFAOYSA-N	0	3	299.761	2.226	10	30		CEEEHN
NCC#Cc1cccc(Cn2ncc3ccccc32)c1	ZINC000050527411	527153786	/nfs/dbraw/zinc/15/37/86/527153786.db2.gz	GAEONDUCWLXXJK-UHFFFAOYSA-N	0	3	261.328	2.395	10	30		CEEEHN
NCC#Cc1ccccc1NC(=O)CC[C@H]1CCCCO1	ZINC000069399442	527154432	/nfs/dbraw/zinc/15/44/32/527154432.db2.gz	QGWHAXFBJQUYFV-OAHLLOKOSA-N	0	3	286.375	2.285	10	30		CEEEHN
NCC#Cc1ccccc1CSc1ncccn1	ZINC000049611445	527154501	/nfs/dbraw/zinc/15/45/01/527154501.db2.gz	JNQZIIYVEHGVBS-UHFFFAOYSA-N	0	3	255.346	2.079	10	30		CEEEHN
CCN[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1=O	ZINC000086115338	535516928	/nfs/dbraw/zinc/51/69/28/535516928.db2.gz	HUHHMBOXHDEKKB-LBPRGKRZSA-N	0	3	277.755	2.317	10	30		CEEEHN
N#Cc1ccccc1OCCN1CCC[C@H]1CCCO	ZINC000052759638	362472807	/nfs/dbraw/zinc/47/28/07/362472807.db2.gz	PDPYRWPRSKBGTJ-HNNXBMFYSA-N	0	3	274.364	2.174	10	30		CEEEHN
C[C@H](C#N)CNCCCCCCCNC[C@H](C)C#N	ZINC000584651685	344973399	/nfs/dbraw/zinc/97/33/99/344973399.db2.gz	CKYLEPHEOONYPN-HUUCEWRRSA-N	0	3	264.417	2.435	10	30		CEEEHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc(F)ccc1F	ZINC000591595239	345268020	/nfs/dbraw/zinc/26/80/20/345268020.db2.gz	VYDIVVDSKSUHBN-TVQRCGJNSA-N	0	3	281.306	2.163	10	30		CEEEHN
C[C@H](NC(=O)[C@H](N)CCCCC#N)C1CCCC1	ZINC000594432802	345628820	/nfs/dbraw/zinc/62/88/20/345628820.db2.gz	BWKMLGCWRCLMCB-WCQYABFASA-N	0	3	251.374	2.093	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C#CCN)[C@@H]1C	ZINC000086081128	179227563	/nfs/dbraw/zinc/22/75/63/179227563.db2.gz	UTDYKKDSNZYXRF-XJKCOSOUSA-N	0	3	270.376	2.161	10	30		CEEEHN
N#Cc1cc(CNCC2(O)CCCCCC2)ccn1	ZINC000087089306	179393818	/nfs/dbraw/zinc/39/38/18/179393818.db2.gz	ZDHLUCDAOBJKLR-UHFFFAOYSA-N	0	3	259.353	2.128	10	30		CEEEHN
NCC#Cc1ccccc1C(=O)N1CCC[C@H]2CCC[C@H]21	ZINC000087782392	179485399	/nfs/dbraw/zinc/48/53/99/179485399.db2.gz	XKEXVZXXRQFUEH-NVXWUHKLSA-N	0	3	282.387	2.402	10	30		CEEEHN
COc1ccc(C#CCO)c(CN(C)C[C@H]2C[C@@H]2C)c1	ZINC000087787261	179486532	/nfs/dbraw/zinc/48/65/32/179486532.db2.gz	KEULVGDRDBOSLI-DZGCQCFKSA-N	0	3	273.376	2.127	10	30		CEEEHN
C[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2C#CCN)C1	ZINC000088712216	179656027	/nfs/dbraw/zinc/65/60/27/179656027.db2.gz	CJKPWENLLMFADM-KGLIPLIRSA-N	0	3	270.376	2.257	10	30		CEEEHN
COCCNCc1cccc(S[C@@H](C)C#N)c1	ZINC000090873116	180049671	/nfs/dbraw/zinc/04/96/71/180049671.db2.gz	OYUGLJDUEKTIMO-NSHDSACASA-N	0	3	250.367	2.427	10	30		CEEEHN
CC(C)CCC[C@@H](C)NC(=O)c1ccncc1C#CCN	ZINC000091462212	180162576	/nfs/dbraw/zinc/16/25/76/180162576.db2.gz	DGWVEZROQWWKES-CQSZACIVSA-N	0	3	287.407	2.336	10	30		CEEEHN
CC1(C)CCCN(C(=O)c2ccncc2C#CCN)CC1	ZINC000091463633	180162658	/nfs/dbraw/zinc/16/26/58/180162658.db2.gz	KMJDVDNWHAGHPV-UHFFFAOYSA-N	0	3	285.391	2.044	10	30		CEEEHN
Cc1cc([C@@H](C#N)NCCN(C)C)ccc1Br	ZINC000091471460	180165246	/nfs/dbraw/zinc/16/52/46/180165246.db2.gz	RRAMSGXHNFEQFO-CYBMUJFWSA-N	0	3	296.212	2.473	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)N1C[C@H](C)[C@H](C)C1	ZINC000092112320	180327318	/nfs/dbraw/zinc/32/73/18/180327318.db2.gz	MCCWVWMWFUGFMC-OKILXGFUSA-N	0	3	270.376	2.033	10	30		CEEEHN
CC(C)c1nc2n(n1)C[C@H](NCc1cccc(C#N)c1)CC2	ZINC000105873844	186082065	/nfs/dbraw/zinc/08/20/65/186082065.db2.gz	DWESRCXSJVUADA-OAHLLOKOSA-N	0	3	295.390	2.378	10	30		CEEEHN
CN(Cc1sccc1C#CCCO)C[C@H]1CCCOC1	ZINC000111168267	186364281	/nfs/dbraw/zinc/36/42/81/186364281.db2.gz	SPDALOVVLVRNJA-CQSZACIVSA-N	0	3	293.432	2.340	10	30		CEEEHN
Fc1ccc(C#CCN2CCC[C@H](Cn3cncn3)C2)cc1	ZINC000156665912	188275282	/nfs/dbraw/zinc/27/52/82/188275282.db2.gz	MMUGTSZWCDZPSL-INIZCTEOSA-N	0	3	298.365	2.181	10	30		CEEEHN
CC(C)N1C[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H](C)C1	ZINC000158929964	366861104	/nfs/dbraw/zinc/86/11/04/366861104.db2.gz	JWIUTXPBDACYQS-KBPBESRZSA-N	0	3	277.412	2.305	10	30		CEEEHN
C[C@@H]1CN(c2ccc(C#N)cc2Br)CCN1	ZINC000116942734	365081608	/nfs/dbraw/zinc/08/16/08/365081608.db2.gz	LWZOMHJHCUYPBR-SECBINFHSA-N	0	3	280.169	2.119	10	30		CEEEHN
CCO[C@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCOCC2	ZINC000185659165	368839012	/nfs/dbraw/zinc/83/90/12/368839012.db2.gz	BWWSSHSRLUBSAL-CABCVRRESA-N	0	3	290.363	2.215	10	30		CEEEHN
CCCCN(CCCC)C(=O)C[n+]1ccc(/C=N/[O-])cc1	ZINC000001920015	394452396	/nfs/dbraw/zinc/45/23/96/394452396.db2.gz	ZJQCURCVDBIVEZ-UHFFFAOYSA-O	0	3	292.403	2.211	10	30		CEEEHN
CCN1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C#N)C1	ZINC000413566369	394585982	/nfs/dbraw/zinc/58/59/82/394585982.db2.gz	JBFPDOATBWJXHI-GFCCVEGCSA-N	0	3	274.324	2.281	10	30		CEEEHN
CC[C@H]1CN(CC#Cc2ccccc2)CCN1CCOC	ZINC000192001622	395369604	/nfs/dbraw/zinc/36/96/04/395369604.db2.gz	LQHOTZKHYVXPEU-SFHVURJKSA-N	0	3	286.419	2.081	10	30		CEEEHN
COc1cc(C(C#N)C(=O)[C@@H]2CCCO2)ccc1C	ZINC000037347347	173143719	/nfs/dbraw/zinc/14/37/19/173143719.db2.gz	IOGPNLPKHPDVOD-OLZOCXBDSA-N	0	3	259.305	2.359	10	30		CEEEHN
N#CCc1ccc(NC(=O)CNC2CCCC2)cc1	ZINC000037388976	173172561	/nfs/dbraw/zinc/17/25/61/173172561.db2.gz	NVNNFKLLWOLFBG-UHFFFAOYSA-N	0	3	257.337	2.223	10	30		CEEEHN
C#CCCOc1c(Cl)cc(CNC)cc1OC	ZINC000037701583	173623734	/nfs/dbraw/zinc/62/37/34/173623734.db2.gz	DWWCNQQWINQCEK-UHFFFAOYSA-N	0	3	253.729	2.470	10	30		CEEEHN
C[C@@H](N)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000040419671	174257326	/nfs/dbraw/zinc/25/73/26/174257326.db2.gz	HNXWDBWXYTYOKS-MRVPVSSYSA-N	0	3	263.366	2.174	10	30		CEEEHN
C=CCOc1ccccc1CNCCc1nccn1C	ZINC000040639130	174363637	/nfs/dbraw/zinc/36/36/37/174363637.db2.gz	ROVCJXORXMGNLV-UHFFFAOYSA-N	0	3	271.364	2.317	10	30		CEEEHN
C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1C(C)C	ZINC000661117102	415103814	/nfs/dbraw/zinc/10/38/14/415103814.db2.gz	OHXIQLIBPZXGTA-OLZOCXBDSA-N	0	3	263.389	2.479	10	30		CEEEHN
CC[C@@H](C)N(CCOC)Cc1ccc(C#CCO)s1	ZINC000043681980	175090868	/nfs/dbraw/zinc/09/08/68/175090868.db2.gz	XLAWTZXQOBFACE-CYBMUJFWSA-N	0	3	281.421	2.339	10	30		CEEEHN
C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1C#CCN	ZINC000071210978	176083136	/nfs/dbraw/zinc/08/31/36/176083136.db2.gz	MISVUULBZLXWKY-NHYWBVRUSA-N	0	3	274.339	2.054	10	30		CEEEHN
COCCN(CCC#N)[C@H](CN)c1ccc(Cl)s1	ZINC000071222059	176087665	/nfs/dbraw/zinc/08/76/65/176087665.db2.gz	HLXIRRWWMXOIFB-SNVBAGLBSA-N	0	3	287.816	2.263	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2ccc(F)cc2)s1	ZINC000071322752	176123500	/nfs/dbraw/zinc/12/35/00/176123500.db2.gz	CSPBEJFFECKYKT-UHFFFAOYSA-N	0	3	288.347	2.127	10	30		CEEEHN
C#CCOc1ccccc1CNC[C@@H]1CCCC[C@@H]1O	ZINC000077205599	177233478	/nfs/dbraw/zinc/23/34/78/177233478.db2.gz	LQYMENZGOLGWKC-HOCLYGCPSA-N	0	3	273.376	2.339	10	30		CEEEHN
CCNCc1nccn1Cc1cc(C#N)ccc1F	ZINC000051004929	520023317	/nfs/dbraw/zinc/02/33/17/520023317.db2.gz	RLGWEPHEMAWXCV-UHFFFAOYSA-N	0	3	258.300	2.052	10	30		CEEEHN
C#CC(C)(C)NC[C@H](O)COc1ccc(Cl)cc1	ZINC000070119104	518239283	/nfs/dbraw/zinc/23/92/83/518239283.db2.gz	GXYTWIRNPYJLKE-LBPRGKRZSA-N	0	3	267.756	2.081	10	30		CEEEHN
C=C(Br)COc1ccc2c(c1)OC[C@H]2N	ZINC000062803652	518585662	/nfs/dbraw/zinc/58/56/62/518585662.db2.gz	FWBHJNHGPMVWGU-SNVBAGLBSA-N	0	3	270.126	2.366	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(C#N)cc1	ZINC000048069289	519338442	/nfs/dbraw/zinc/33/84/42/519338442.db2.gz	QCPSNNNYWLTSFD-OAHLLOKOSA-N	0	3	273.380	2.264	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CCN(C(C)C)CC1	ZINC000068611658	519735512	/nfs/dbraw/zinc/73/55/12/519735512.db2.gz	IBAWXIQWNJHKLA-HZPDHXFCSA-N	0	3	280.460	2.071	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@H](C)N(C)CCc1ccccn1	ZINC000068610924	520129697	/nfs/dbraw/zinc/12/96/97/520129697.db2.gz	VBMICWLVPABVGU-GOEBONIOSA-N	0	3	274.412	2.226	10	30		CEEEHN
CCCC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1F	ZINC000050891002	521005484	/nfs/dbraw/zinc/00/54/84/521005484.db2.gz	KTMUSMIFSIAOCG-GFCCVEGCSA-N	0	3	276.355	2.444	10	30		CEEEHN
CCCC[C@@H](C)NC(=O)c1cc(C#CCN)ccc1F	ZINC000050891000	521006466	/nfs/dbraw/zinc/00/64/66/521006466.db2.gz	VPKBHOWOQZWYSP-GFCCVEGCSA-N	0	3	276.355	2.444	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1ccc(C#CCN)cc1	ZINC000069461721	521297114	/nfs/dbraw/zinc/29/71/14/521297114.db2.gz	VIXLUECMIGBBGD-UHFFFAOYSA-N	0	3	258.365	2.257	10	30		CEEEHN
CNCc1ccc(OC)cc1OCc1cccnc1C#N	ZINC000061656633	522120260	/nfs/dbraw/zinc/12/02/60/522120260.db2.gz	AJHRYSOYRLNMFO-UHFFFAOYSA-N	0	3	283.331	2.260	10	30		CEEEHN
CN(Cc1cccc(C#CCN)c1)C(=O)c1ccsc1	ZINC000049586939	523291616	/nfs/dbraw/zinc/29/16/16/523291616.db2.gz	VRMYPGAPFLJFKI-UHFFFAOYSA-N	0	3	284.384	2.331	10	30		CEEEHN
CN(Cc1cccc(C#CCO)c1)C[C@@H]1CCCCO1	ZINC000049613704	523291567	/nfs/dbraw/zinc/29/15/67/523291567.db2.gz	HDVMMEIYAQURLY-KRWDZBQOSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1cccc(C#CCN)c1)C(=O)CC(C)(C)C	ZINC000049586954	523292171	/nfs/dbraw/zinc/29/21/71/523292171.db2.gz	YOTCQTPGVYFSBJ-UHFFFAOYSA-N	0	3	272.392	2.391	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1CCC[C@@H](C)C1	ZINC000049616055	523516847	/nfs/dbraw/zinc/51/68/47/523516847.db2.gz	WSZDTAZOIGLSLX-CQSZACIVSA-N	0	3	273.376	2.271	10	30		CEEEHN
COCCN(C)CCNc1cc(Cl)ccc1C#N	ZINC000062785680	523613549	/nfs/dbraw/zinc/61/35/49/523613549.db2.gz	LZZHYSKYFHNLJA-UHFFFAOYSA-N	0	3	267.760	2.202	10	30		CEEEHN
COCCN(Cc1ccc(C#CCCO)cc1)C1CC1	ZINC000049614213	523742918	/nfs/dbraw/zinc/74/29/18/523742918.db2.gz	QJMCVJKJBGBTFR-UHFFFAOYSA-N	0	3	273.376	2.031	10	30		CEEEHN
CC[C@H](C#N)Oc1c(CNCCOC)cccc1OC	ZINC000062732422	523749765	/nfs/dbraw/zinc/74/97/65/523749765.db2.gz	MLCFDJHTZKSRAT-CYBMUJFWSA-N	0	3	278.352	2.112	10	30		CEEEHN
Cc1cccc(C(=O)NCc2ccccc2C#CCN)c1	ZINC000049586412	524199482	/nfs/dbraw/zinc/19/94/82/524199482.db2.gz	AVDCLIYCSVTRPQ-UHFFFAOYSA-N	0	3	278.355	2.235	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2cc(F)ccc2C#CCN)[C@@H]1C	ZINC000050568528	524207040	/nfs/dbraw/zinc/20/70/40/524207040.db2.gz	GUJBQJRTMUZFEM-CHWSQXEVSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCCC1	ZINC000050442370	524759408	/nfs/dbraw/zinc/75/94/08/524759408.db2.gz	VXQGWSMMOFBUQZ-NSHDSACASA-N	0	3	289.339	2.148	10	30		CEEEHN
Cc1occc1C(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049586608	526800953	/nfs/dbraw/zinc/80/09/53/526800953.db2.gz	MVLMWDIUYFUBBE-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
Cc1occc1C(=O)N(C)Cc1ccccc1C#CCN	ZINC000049586845	526801061	/nfs/dbraw/zinc/80/10/61/526801061.db2.gz	ZBKUVTJVEKGBLH-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2cccc(F)c2)cc1	ZINC000049586292	527150557	/nfs/dbraw/zinc/15/05/57/527150557.db2.gz	DEXCKCJAOKISHB-UHFFFAOYSA-N	0	3	282.318	2.066	10	30		CEEEHN
NCC#Cc1ccccc1COC[C@@H]1CCCCO1	ZINC000049610752	527155359	/nfs/dbraw/zinc/15/53/59/527155359.db2.gz	LQSVTYLGPPHPQE-INIZCTEOSA-N	0	3	259.349	2.083	10	30		CEEEHN
NCC#Cc1cncc(C(=O)Nc2ccccc2Cl)c1	ZINC000049629338	527155973	/nfs/dbraw/zinc/15/59/73/527155973.db2.gz	WQBNSHDQNYJTQM-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
C=CCC[C@@H](O)CN(CCOC)Cc1cccc(OC)c1	ZINC000036100152	361827315	/nfs/dbraw/zinc/82/73/15/361827315.db2.gz	XFZCQMWZBJNDLF-MRXNPFEDSA-N	0	3	293.407	2.471	10	30		CEEEHN
C=CCOc1ccccc1CNC[C@@H]1CN(CC)CCO1	ZINC000134438785	344374414	/nfs/dbraw/zinc/37/44/14/344374414.db2.gz	CMAYTELCVGBVND-MRXNPFEDSA-N	0	3	290.407	2.062	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000171085768	344495231	/nfs/dbraw/zinc/49/52/31/344495231.db2.gz	GADJXQUPGHAUQJ-ZDUSSCGKSA-N	0	3	290.342	2.303	10	30		CEEEHN
C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000057870068	362598189	/nfs/dbraw/zinc/59/81/89/362598189.db2.gz	PASQXHXMUFFBNL-CYBMUJFWSA-N	0	3	253.390	2.078	10	30		CEEEHN
CCCN1CCC[C@@](C#N)(NCC(F)(F)F)CC1	ZINC000086849671	179357498	/nfs/dbraw/zinc/35/74/98/179357498.db2.gz	FIADHEKZZKYLEC-LLVKDONJSA-N	0	3	263.307	2.297	10	30		CEEEHN
C[C@H](CCO)SCc1ccc(F)cc1C#CCN	ZINC000091266326	180117335	/nfs/dbraw/zinc/11/73/35/180117335.db2.gz	NBCPFUMHTSANPJ-LLVKDONJSA-N	0	3	267.369	2.140	10	30		CEEEHN
CN(CC1CCCCC1)C(=O)c1ccncc1C#CCN	ZINC000091462021	180161331	/nfs/dbraw/zinc/16/13/31/180161331.db2.gz	IYYRWAVHLVNVPH-UHFFFAOYSA-N	0	3	285.391	2.044	10	30		CEEEHN
CC[C@@H]1CC[C@H](C#N)[C@H](N(C)CC2CC(O)C2)C1	ZINC000091462936	180162136	/nfs/dbraw/zinc/16/21/36/180162136.db2.gz	JEAYEDQCLIJZJS-MICXKLAISA-N	0	3	250.386	2.408	10	30		CEEEHN
CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccncc1C#CCN	ZINC000091462163	180162449	/nfs/dbraw/zinc/16/24/49/180162449.db2.gz	AMFRPGZUGKMQIK-CJNGLKHVSA-N	0	3	285.391	2.090	10	30		CEEEHN
CCc1ccc(C(=O)Nc2ccc(C#CCN)cc2)o1	ZINC000091775620	180251389	/nfs/dbraw/zinc/25/13/89/180251389.db2.gz	QNHACNDMBFUYSC-UHFFFAOYSA-N	0	3	268.316	2.405	10	30		CEEEHN
Cc1ccc(NC(=O)N2CCCCC2)c(C#CCN)c1	ZINC000091969676	180294989	/nfs/dbraw/zinc/29/49/89/180294989.db2.gz	NIKGRKMXAQRVRV-UHFFFAOYSA-N	0	3	271.364	2.323	10	30		CEEEHN
CN1CCC(O)([C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000091878271	180278951	/nfs/dbraw/zinc/27/89/51/180278951.db2.gz	ORBOCKJPFIDLCB-INIZCTEOSA-N	0	3	270.376	2.142	10	30		CEEEHN
CN1CCC[C@](O)([C@]2(C#N)CCc3ccccc32)CC1	ZINC000091888331	180280910	/nfs/dbraw/zinc/28/09/10/180280910.db2.gz	VPRAJOIPOHSABV-DLBZAZTESA-N	0	3	270.376	2.241	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1C[C@H](C)[C@H](C)C1	ZINC000092087091	180321744	/nfs/dbraw/zinc/32/17/44/180321744.db2.gz	ZCICICWXPQIPTM-OKILXGFUSA-N	0	3	273.376	2.127	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(F)cc2C#CCN)CC1	ZINC000110817730	186327329	/nfs/dbraw/zinc/32/73/29/186327329.db2.gz	AOQNKJWTGSFXSL-ZDUSSCGKSA-N	0	3	288.366	2.398	10	30		CEEEHN
CN(Cc1sccc1C#CCCO)C[C@@H]1CCCOC1	ZINC000111168264	186363928	/nfs/dbraw/zinc/36/39/28/186363928.db2.gz	SPDALOVVLVRNJA-AWEZNQCLSA-N	0	3	293.432	2.340	10	30		CEEEHN
CC(C)N1C[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1	ZINC000150850984	366601172	/nfs/dbraw/zinc/60/11/72/366601172.db2.gz	WYBMFPNZUFNVBQ-WFASDCNBSA-N	0	3	286.379	2.408	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@@H]2CCCO)cc1F	ZINC000361704337	372031282	/nfs/dbraw/zinc/03/12/82/372031282.db2.gz	CHVMKFKJMPYUNU-CQSZACIVSA-N	0	3	262.328	2.434	10	30		CEEEHN
C#CCCCC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000192094946	533020295	/nfs/dbraw/zinc/02/02/95/533020295.db2.gz	AJPSZYIMOFWLEN-HNNXBMFYSA-N	0	3	258.365	2.209	10	30		CEEEHN
N#Cc1ccc(NC[C@@H]2NCCc3ccccc32)nc1	ZINC000261734412	153826097	/nfs/dbraw/zinc/82/60/97/153826097.db2.gz	LJIAUYBSUYPLDO-HNNXBMFYSA-N	0	3	264.332	2.252	10	30		CEEEHN
CCO[C@H]1C[C@@H](NCC2(C#N)CCC2)C12CCOCC2	ZINC000333733875	286489945	/nfs/dbraw/zinc/48/99/45/286489945.db2.gz	UNAMVGRUEDWDMK-KGLIPLIRSA-N	0	3	278.396	2.244	10	30		CEEEHN
COc1ccc(C)cc1C(C#N)C(=O)[C@H]1CCCO1	ZINC000037345858	173143074	/nfs/dbraw/zinc/14/30/74/173143074.db2.gz	GGWQVGNFQCVFQB-GXTWGEPZSA-N	0	3	259.305	2.359	10	30		CEEEHN
CCN(Cc1ccc(C#CCN)s1)C[C@@H](C)C#N	ZINC000043684141	175093179	/nfs/dbraw/zinc/09/31/79/175093179.db2.gz	JVCRCORLUNWSTM-LBPRGKRZSA-N	0	3	261.394	2.040	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1ccccc1C#CCN	ZINC000045091833	175305654	/nfs/dbraw/zinc/30/56/54/175305654.db2.gz	GBKQNVUYRZATAA-UHFFFAOYSA-N	0	3	258.365	2.115	10	30		CEEEHN
CC[C@@H](C)N(CCOC)CC[C@@](C)(C#N)NC1CC1	ZINC000045182726	175325616	/nfs/dbraw/zinc/32/56/16/175325616.db2.gz	XNWDEMDYQXMROI-HIFRSBDPSA-N	0	3	267.417	2.158	10	30		CEEEHN
N#CCc1ccc(N2CCC[C@H](NC3CC3)C2=O)cc1	ZINC000071041487	176027859	/nfs/dbraw/zinc/02/78/59/176027859.db2.gz	CIYXOJDYUZOLNM-HNNXBMFYSA-N	0	3	269.348	2.000	10	30		CEEEHN
C=CCCOc1c(CNCCOC)cccc1OC	ZINC000071274985	176105957	/nfs/dbraw/zinc/10/59/57/176105957.db2.gz	GHTPTCLOBNLRFN-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
CC(C)CCC(=O)NCc1cc(C#CCN)cs1	ZINC000071322320	176122751	/nfs/dbraw/zinc/12/27/51/176122751.db2.gz	OWHACQMKHOTSOV-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
CN(C)c1cccc2c1C(=O)N(Cc1nccs1)C2C#N	ZINC000071679317	176244351	/nfs/dbraw/zinc/24/43/51/176244351.db2.gz	FCYGMXMTJNWKDR-LBPRGKRZSA-N	0	3	298.371	2.430	10	30		CEEEHN
C[C@@H]1CN(c2c(F)cc(C#N)cc2F)[C@H](C)CN1	ZINC000147793129	274360731	/nfs/dbraw/zinc/36/07/31/274360731.db2.gz	YJIWWPKTKSJUJZ-RKDXNWHRSA-N	0	3	251.280	2.023	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2C#N)C1	ZINC000249292369	280391899	/nfs/dbraw/zinc/39/18/99/280391899.db2.gz	WQXFPBPYMNEYGT-IAQYHMDHSA-N	0	3	289.354	2.156	10	30		CEEEHN
C=C[C@](C)(CCOC)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000189365220	329380067	/nfs/dbraw/zinc/38/00/67/329380067.db2.gz	YPYGBVHWWPDGBO-IJEWVQPXSA-N	0	3	282.428	2.060	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1	ZINC000044387051	330328010	/nfs/dbraw/zinc/32/80/10/330328010.db2.gz	WWHJAAJYALYLNR-ZDUSSCGKSA-N	0	3	263.385	2.061	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCN1CCN([C@@H](C)CC)CC1	ZINC000055070135	520102338	/nfs/dbraw/zinc/10/23/38/520102338.db2.gz	YRQNMVZQJXXIQV-IRXDYDNUSA-N	0	3	294.487	2.465	10	30		CEEEHN
C#CCCOc1ccc(CNCCOC)cc1Cl	ZINC000062730514	518251328	/nfs/dbraw/zinc/25/13/28/518251328.db2.gz	PYZQWDHOFSBYRM-UHFFFAOYSA-N	0	3	267.756	2.478	10	30		CEEEHN
C=C(Br)CN[C@@H](CC(C)C)CN(C)C	ZINC000049555745	518583370	/nfs/dbraw/zinc/58/33/70/518583370.db2.gz	UQDZIHLWKUQTFT-NSHDSACASA-N	0	3	263.223	2.461	10	30		CEEEHN
C=C(C)CN(CC)CCn1cc(CNC(C)(C)C)nn1	ZINC000052423420	518600104	/nfs/dbraw/zinc/60/01/04/518600104.db2.gz	WHPDZONBCHRARY-UHFFFAOYSA-N	0	3	279.432	2.064	10	30		CEEEHN
CC(C)CNCc1cc2c(cc1O[C@@H](C)C#N)OCO2	ZINC000062733966	519746973	/nfs/dbraw/zinc/74/69/73/519746973.db2.gz	UDQDIDRCADKYJH-NSHDSACASA-N	0	3	276.336	2.452	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCCN1CCN([C@H](C)CC)CC1	ZINC000055070199	520129208	/nfs/dbraw/zinc/12/92/08/520129208.db2.gz	PHGZXBJOEQGIPC-IAGOWNOFSA-N	0	3	294.487	2.465	10	30		CEEEHN
CCN(CC1CC1)C(=O)c1ccc(C#CCN)cc1F	ZINC000069263406	520953610	/nfs/dbraw/zinc/95/36/10/520953610.db2.gz	PJUKDHWLCZQHFR-UHFFFAOYSA-N	0	3	274.339	2.008	10	30		CEEEHN
CC[C@@H](C)C(=O)N(C)Cc1ccccc1C#CCN	ZINC000049586850	521902814	/nfs/dbraw/zinc/90/28/14/521902814.db2.gz	MBCQAJDCYVZNBG-CYBMUJFWSA-N	0	3	258.365	2.001	10	30		CEEEHN
CC[C@@H](C)N1CCN(CC[C@](C)(C#N)NC(C)C)CC1	ZINC000055069999	522120942	/nfs/dbraw/zinc/12/09/42/522120942.db2.gz	XQGUVBNWBRQTGK-HZPDHXFCSA-N	0	3	280.460	2.073	10	30		CEEEHN
COc1cc(CN)c([N+](=O)[O-])cc1OCCCCC#N	ZINC000049578303	522361876	/nfs/dbraw/zinc/36/18/76/522361876.db2.gz	ZFAYPYXWRMMYEQ-UHFFFAOYSA-N	0	3	279.296	2.135	10	30		CEEEHN
CC[C@@H](NC(=O)c1cc(C#CCN)ccc1F)C(C)C	ZINC000049148556	522774253	/nfs/dbraw/zinc/77/42/53/522774253.db2.gz	WLHADLWBCWTAKI-OAHLLOKOSA-N	0	3	276.355	2.300	10	30		CEEEHN
CN(Cc1cccc(F)c1)CC1(C=O)CCOCC1	ZINC000052179942	523310889	/nfs/dbraw/zinc/31/08/89/523310889.db2.gz	UKRIWKYDQJOOMP-UHFFFAOYSA-N	0	3	265.328	2.253	10	30		CEEEHN
CN(Cc1ccccc1C#CCN)C(=O)c1cccs1	ZINC000049586837	523356107	/nfs/dbraw/zinc/35/61/07/523356107.db2.gz	OPLZGEPGVPOWPA-UHFFFAOYSA-N	0	3	284.384	2.331	10	30		CEEEHN
COc1ccc(C#CCN)cc1CN(C)Cc1ccoc1	ZINC000049609735	523512989	/nfs/dbraw/zinc/51/29/89/523512989.db2.gz	ITNOAGGLLQJUDY-UHFFFAOYSA-N	0	3	284.359	2.230	10	30		CEEEHN
COCCNCc1ccc(O[C@@H](C)C#N)c(Cl)c1	ZINC000062730584	523952703	/nfs/dbraw/zinc/95/27/03/523952703.db2.gz	SPARSXIOWFSDDZ-JTQLQIEISA-N	0	3	268.744	2.367	10	30		CEEEHN
COCCNCc1ccc(OCC#N)c(Br)c1	ZINC000062728254	523953670	/nfs/dbraw/zinc/95/36/70/523953670.db2.gz	FXMCEDZOILPNDO-UHFFFAOYSA-N	0	3	299.168	2.087	10	30		CEEEHN
COc1ccc(CSc2cnn(C)c2)cc1C#CCN	ZINC000049612938	524127567	/nfs/dbraw/zinc/12/75/67/524127567.db2.gz	XUUKCZZUOJYGSS-UHFFFAOYSA-N	0	3	287.388	2.031	10	30		CEEEHN
COc1ccc(CSc2ncc(C)cn2)cc1C#CCN	ZINC000049612959	524128168	/nfs/dbraw/zinc/12/81/68/524128168.db2.gz	HAFNNPCQMAPHBC-UHFFFAOYSA-N	0	3	299.399	2.396	10	30		CEEEHN
C[C@H](C[C@](C)(C#N)NC1CC1)N1CCN(C(C)(C)C)CC1	ZINC000068613171	524653382	/nfs/dbraw/zinc/65/33/82/524653382.db2.gz	KTJFLADIONBBCX-RHSMWYFYSA-N	0	3	292.471	2.215	10	30		CEEEHN
C[C@@H](NC(=O)C(C)(C)C)c1cccc(C#CCN)c1	ZINC000049587117	525052952	/nfs/dbraw/zinc/05/29/52/525052952.db2.gz	SRBHAAYIFQAUJN-GFCCVEGCSA-N	0	3	258.365	2.220	10	30		CEEEHN
Cc1cc(SCc2ccc(C#CCN)s2)n(C)n1	ZINC000052311574	525437503	/nfs/dbraw/zinc/43/75/03/525437503.db2.gz	ZULUDGFXUABOKY-UHFFFAOYSA-N	0	3	277.418	2.393	10	30		CEEEHN
C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)Nc1cccc(C#N)c1	ZINC000183202137	525522842	/nfs/dbraw/zinc/52/28/42/525522842.db2.gz	VZPZXKFCHKGUPU-HUBLWGQQSA-N	0	3	287.363	2.042	10	30		CEEEHN
Cc1nnc(SCc2cccc(C#CCN)c2)s1	ZINC000049611578	526386383	/nfs/dbraw/zinc/38/63/83/526386383.db2.gz	AQKAWMBTSHWGHM-UHFFFAOYSA-N	0	3	275.402	2.449	10	30		CEEEHN
NCC#Cc1cc(COC[C@@H]2CCCCO2)ccc1F	ZINC000049610768	527147609	/nfs/dbraw/zinc/14/76/09/527147609.db2.gz	JKZCVEDBXKEONZ-HNNXBMFYSA-N	0	3	277.339	2.222	10	30		CEEEHN
NCC#Cc1ccccc1COC[C@H]1CCCCO1	ZINC000049610753	527154593	/nfs/dbraw/zinc/15/45/93/527154593.db2.gz	LQSVTYLGPPHPQE-MRXNPFEDSA-N	0	3	259.349	2.083	10	30		CEEEHN
O=C(C#Cc1ccccc1)Nc1ccc2c(c1)CNCC2	ZINC000069052736	527663193	/nfs/dbraw/zinc/66/31/93/527663193.db2.gz	XQAKXNRZWTXMNK-UHFFFAOYSA-N	0	3	276.339	2.323	10	30		CEEEHN
C=CCN(C)C[C@@H](O)COCc1ccc(Cl)cc1	ZINC000121358534	365558107	/nfs/dbraw/zinc/55/81/07/365558107.db2.gz	QYWUOZSAHZGQHO-CQSZACIVSA-N	0	3	269.772	2.335	10	30		CEEEHN
C#CCOC[C@@H](O)CN(Cc1ccsc1)CC(C)C	ZINC000036099231	361827917	/nfs/dbraw/zinc/82/79/17/361827917.db2.gz	MIZXMZKLCZHHOM-HNNXBMFYSA-N	0	3	281.421	2.217	10	30		CEEEHN
C[C@H](NC[C@@H](O)COC(C)(C)C)c1ccc(C#N)cc1	ZINC000037749537	361928469	/nfs/dbraw/zinc/92/84/69/361928469.db2.gz	VYQFRGVGQFCSTJ-SWLSCSKDSA-N	0	3	276.380	2.385	10	30		CEEEHN
CCN1CCC[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1	ZINC000125865426	187202813	/nfs/dbraw/zinc/20/28/13/187202813.db2.gz	UCIXKIVRVQUVKS-GFCCVEGCSA-N	0	3	274.324	2.363	10	30		CEEEHN
C[C@H](C#N)Oc1ccc(Br)cc1CN	ZINC000043513358	362146194	/nfs/dbraw/zinc/14/61/94/362146194.db2.gz	OSOMUAHBBFZDKY-SSDOTTSWSA-N	0	3	255.115	2.199	10	30		CEEEHN
C#CC[C@@H](N)c1csc(I)c1	ZINC000168682472	344480990	/nfs/dbraw/zinc/48/09/90/344480990.db2.gz	SEXSCYIGNVSFPR-SSDOTTSWSA-N	0	3	277.130	2.376	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2ccc(C#CCN)cc2F)CC[C@@H]1C	ZINC000086081157	179227472	/nfs/dbraw/zinc/22/74/72/179227472.db2.gz	UDROPVXCXLCAJU-HWWQOWPSSA-N	0	3	288.366	2.300	10	30		CEEEHN
C#CCN1C[C@@](C)(c2ccccc2)NC[C@H]1C(C)C	ZINC000086222882	179250793	/nfs/dbraw/zinc/25/07/93/179250793.db2.gz	WQKLJSDOSNPORT-IRXDYDNUSA-N	0	3	256.393	2.465	10	30		CEEEHN
C[C@H](OCCOc1cccc(C#CCN)c1)C(F)(F)F	ZINC000090673654	180021646	/nfs/dbraw/zinc/02/16/46/180021646.db2.gz	SRYHYEFHIRLLFA-NSHDSACASA-N	0	3	287.281	2.343	10	30		CEEEHN
Cc1sc(NC(=O)C[C@@H]2CSCCN2)c(C#N)c1C	ZINC000091138401	180105483	/nfs/dbraw/zinc/10/54/83/180105483.db2.gz	XGJGZUXEMQAXEA-SNVBAGLBSA-N	0	3	295.433	2.270	10	30		CEEEHN
NCC#Cc1ccccc1NC(=O)N1CCCCC1	ZINC000091969671	180294994	/nfs/dbraw/zinc/29/49/94/180294994.db2.gz	HOXGGPGRYBWSQY-UHFFFAOYSA-N	0	3	257.337	2.015	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)Nc2ccc(C#CCN)c(F)c2)C1	ZINC000091992552	180300343	/nfs/dbraw/zinc/30/03/43/180300343.db2.gz	NJNQITIZSGJRJR-GFCCVEGCSA-N	0	3	289.354	2.400	10	30		CEEEHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccccc2)C[C@H]1C	ZINC000092090677	180322080	/nfs/dbraw/zinc/32/20/80/180322080.db2.gz	CEQXDKLMHDGCBV-NFAWXSAZSA-N	0	3	256.349	2.483	10	30		CEEEHN
Cc1cc(NC(=O)c2cc(F)ccc2C#CCN)ccn1	ZINC000092365948	180369354	/nfs/dbraw/zinc/36/93/54/180369354.db2.gz	ZOJBKHLSZLVZOC-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CC[C@@H]1CN(CCC[C@@](C)(C#N)NC(C)C)CCN1C	ZINC000110737303	186318938	/nfs/dbraw/zinc/31/89/38/186318938.db2.gz	PTQMLELUOWDXLU-CVEARBPZSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCOCCN(CC)CCOc1ccc(CC#N)cc1	ZINC000111119226	186354355	/nfs/dbraw/zinc/35/43/55/186354355.db2.gz	CKBSABHBQFIWPJ-UHFFFAOYSA-N	0	3	276.380	2.490	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc(C#N)cc1	ZINC000070159124	363039506	/nfs/dbraw/zinc/03/95/06/363039506.db2.gz	JOAROXYOPLIFRW-MRXNPFEDSA-N	0	3	287.407	2.193	10	30		CEEEHN
C=CCC[C@@H](CN(C)CCN(C)C)Oc1nccs1	ZINC000072426664	363134060	/nfs/dbraw/zinc/13/40/60/363134060.db2.gz	XINIDRXHSBYCBV-ZDUSSCGKSA-N	0	3	283.441	2.350	10	30		CEEEHN
Cc1ccnc(NCCCNCc2cccnc2)c1C#N	ZINC000135199862	187805258	/nfs/dbraw/zinc/80/52/58/187805258.db2.gz	XOZHOEKPCAXKIJ-UHFFFAOYSA-N	0	3	281.363	2.249	10	30		CEEEHN
C=CC[C@@H](C)NC(=O)N(C)C[C@H]1CCCN1CC	ZINC000245425202	370818240	/nfs/dbraw/zinc/81/82/40/370818240.db2.gz	SVBQNBMELNJIMF-CHWSQXEVSA-N	0	3	253.390	2.077	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NCc2ccc(C#N)s2)C1	ZINC000246859595	371021465	/nfs/dbraw/zinc/02/14/65/371021465.db2.gz	FOOSOWDAPRLCOZ-SMDDNHRTSA-N	0	3	263.410	2.438	10	30		CEEEHN
C[C@H]1CN2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl	ZINC000114709910	394752674	/nfs/dbraw/zinc/75/26/74/394752674.db2.gz	RHCPLYPACIMUIS-CMPLNLGQSA-N	0	3	276.771	2.280	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)o1	ZINC000190290172	153122299	/nfs/dbraw/zinc/12/22/99/153122299.db2.gz	MLZCIJCTBACGQV-WFASDCNBSA-N	0	3	288.372	2.421	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1	ZINC000177101357	165185313	/nfs/dbraw/zinc/18/53/13/165185313.db2.gz	FDBNTVMNWQPEPI-INIZCTEOSA-N	0	3	266.348	2.419	10	30		CEEEHN
C[C@@H](C1CC1)N(C)CC(=O)Nc1ccccc1C#N	ZINC000035207503	172051782	/nfs/dbraw/zinc/05/17/82/172051782.db2.gz	XCMKNOWHWVFKSG-NSHDSACASA-N	0	3	257.337	2.227	10	30		CEEEHN
C#CCN1CCC(N[C@H](C)c2ccccc2OC)CC1	ZINC000037217602	173036258	/nfs/dbraw/zinc/03/62/58/173036258.db2.gz	HNAIECLWQJGNND-CQSZACIVSA-N	0	3	272.392	2.443	10	30		CEEEHN
N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCNCC1	ZINC000040165753	174197509	/nfs/dbraw/zinc/19/75/09/174197509.db2.gz	PHEOYRJPKZOBCM-UHFFFAOYSA-N	0	3	288.738	2.276	10	30		CEEEHN
CCCCOCCNCc1ccc(OCC#N)cc1	ZINC000040506819	174302321	/nfs/dbraw/zinc/30/23/21/174302321.db2.gz	SVYYSIGBQUCOEM-UHFFFAOYSA-N	0	3	262.353	2.495	10	30		CEEEHN
CCCN[C@@H](c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000043301275	175001930	/nfs/dbraw/zinc/00/19/30/175001930.db2.gz	UBCBFIZXXJGMRT-GJZGRUSLSA-N	0	3	292.404	2.034	10	30		CEEEHN
C[C@@H](N)[C@H](c1ccco1)N(CCC#N)Cc1cccnc1	ZINC000043334582	175010456	/nfs/dbraw/zinc/01/04/56/175010456.db2.gz	JLMGIBKUSXFLFT-CZUORRHYSA-N	0	3	284.363	2.479	10	30		CEEEHN
C[C@@H](N)[C@@H](c1ccco1)N(CCC#N)Cc1cccnc1	ZINC000043334580	175010458	/nfs/dbraw/zinc/01/04/58/175010458.db2.gz	JLMGIBKUSXFLFT-CJNGLKHVSA-N	0	3	284.363	2.479	10	30		CEEEHN
CCCO[C@H]1CCCN(Cc2ccc(C#CCN)s2)C1	ZINC000043684099	175091639	/nfs/dbraw/zinc/09/16/39/175091639.db2.gz	MUQSNXGMMZLPCZ-AWEZNQCLSA-N	0	3	292.448	2.449	10	30		CEEEHN
CC(C)N(CCCO)Cc1cc(C#CCCO)cs1	ZINC000043698701	175096978	/nfs/dbraw/zinc/09/69/78/175096978.db2.gz	ZBIAZOGMMMJHRZ-UHFFFAOYSA-N	0	3	281.421	2.075	10	30		CEEEHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccccc2)C[C@H](C)O1	ZINC000044808894	175257401	/nfs/dbraw/zinc/25/74/01/175257401.db2.gz	HHDRUGWEJKXHPK-GUTXKFCHSA-N	0	3	272.348	2.005	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1ccc(C#CCN)cc1F	ZINC000045091838	175305864	/nfs/dbraw/zinc/30/58/64/175305864.db2.gz	YEQXSPADHARHRK-UHFFFAOYSA-N	0	3	276.355	2.254	10	30		CEEEHN
CCN[C@](C)(C#N)CCN(CCOC)[C@@H](C)CC	ZINC000045182716	175325904	/nfs/dbraw/zinc/32/59/04/175325904.db2.gz	SBUAMHRLJHVXIE-KBPBESRZSA-N	0	3	255.406	2.015	10	30		CEEEHN
CCO[C@@H]1CCCN(CC[C@@](C)(C#N)NC(C)C)C1	ZINC000045183350	175326073	/nfs/dbraw/zinc/32/60/73/175326073.db2.gz	ZBICALRVMGMYNB-CABCVRRESA-N	0	3	267.417	2.158	10	30		CEEEHN
CN(C)[C@]1(CNC(=O)[C@@]2(C)CCCNC2=O)CCSC1	ZINC000330303651	228120990	/nfs/dbraw/zinc/12/09/90/228120990.db2.gz	JZMBMKCMYMEALU-KBPBESRZSA-N	0	3	299.440	2.137	10	30		CEEEHN
C[C@@H]1CN2CCCC[C@H]2CN1c1cccc(C#N)n1	ZINC000251919435	274373561	/nfs/dbraw/zinc/37/35/61/274373561.db2.gz	XVRMQJTYZNZOPW-OCCSQVGLSA-N	0	3	256.353	2.016	10	30		CEEEHN
C[C@H](c1cccc(C#N)c1)N1CC[C@@H](N2CCOCC2)C1	ZINC000249456346	280398009	/nfs/dbraw/zinc/39/80/09/280398009.db2.gz	NSCXDQGMFFIQCP-RHSMWYFYSA-N	0	3	285.391	2.026	10	30		CEEEHN
C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H]1CCCN1CC	ZINC000189203848	329377215	/nfs/dbraw/zinc/37/72/15/329377215.db2.gz	HAGNRSBLDNCRHF-GOEBONIOSA-N	0	3	282.428	2.158	10	30		CEEEHN
CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1	ZINC000424083617	330222415	/nfs/dbraw/zinc/22/24/15/330222415.db2.gz	NFBJBKDYBYOALD-UONOGXRCSA-N	0	3	259.353	2.275	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N1C[C@H]2CCCN2C[C@H]1C	ZINC000251374726	334360575	/nfs/dbraw/zinc/36/05/75/334360575.db2.gz	RQJVQGYXUGEAMS-CHWSQXEVSA-N	0	3	263.385	2.011	10	30		CEEEHN
CC(C)COC(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049587397	519750488	/nfs/dbraw/zinc/75/04/88/519750488.db2.gz	KXVWPZROEKIQQQ-UHFFFAOYSA-N	0	3	274.364	2.221	10	30		CEEEHN
CCNCc1ccc([N+](=O)[O-])c(O[C@@H](C#N)CC)c1	ZINC000050516909	520001035	/nfs/dbraw/zinc/00/10/35/520001035.db2.gz	FEGAQBYPFHFVIE-LLVKDONJSA-N	0	3	263.297	2.385	10	30		CEEEHN
CCC[C@H](C)C(=O)NCc1cccc(C#CCN)c1	ZINC000049586487	521002786	/nfs/dbraw/zinc/00/27/86/521002786.db2.gz	QKJOFZIBEPVLEK-ZDUSSCGKSA-N	0	3	258.365	2.049	10	30		CEEEHN
CCOc1cccc(CNCCOC)c1O[C@@H](C)C#N	ZINC000062732807	521362588	/nfs/dbraw/zinc/36/25/88/521362588.db2.gz	OBULQWUYVUZGCD-LBPRGKRZSA-N	0	3	278.352	2.112	10	30		CEEEHN
CC[C@@H](C)N1CCN(Cc2cc(C#CCO)cs2)CC1	ZINC000055069321	522124893	/nfs/dbraw/zinc/12/48/93/522124893.db2.gz	XMAPICSZMQLYFH-CQSZACIVSA-N	0	3	292.448	2.008	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCN)c1)Cc1ccccn1	ZINC000049609246	523240082	/nfs/dbraw/zinc/24/00/82/523240082.db2.gz	SPTSIWLTPOJLKN-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
CC[C@H]1CO[C@H](C)CN1Cc1ccc(F)c(C#CCN)c1	ZINC000049609851	523351753	/nfs/dbraw/zinc/35/17/53/523351753.db2.gz	FDIGPPOLTGVVHK-CJNGLKHVSA-N	0	3	290.382	2.135	10	30		CEEEHN
CC[C@H]1CO[C@H](C)CN1Cc1ccc(C#CCN)cc1F	ZINC000049609839	523352334	/nfs/dbraw/zinc/35/23/34/523352334.db2.gz	UBSPZENYVWSQEJ-CJNGLKHVSA-N	0	3	290.382	2.135	10	30		CEEEHN
CN(Cc1ccccc1C#CCCO)C[C@@H]1CCCCO1	ZINC000049613687	523357967	/nfs/dbraw/zinc/35/79/67/523357967.db2.gz	UTQYQZXKZMDCLT-SFHVURJKSA-N	0	3	287.403	2.421	10	30		CEEEHN
CN(Cc1ccncc1)Cc1ccccc1C#CCN	ZINC000049609299	523462369	/nfs/dbraw/zinc/46/23/69/523462369.db2.gz	UKTIMFCXXOGPMM-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
COc1ccc(C#CCCO)cc1CN1CCC[C@H]1C	ZINC000049615197	523511223	/nfs/dbraw/zinc/51/12/23/523511223.db2.gz	YDSSYDNGEHTZCG-CQSZACIVSA-N	0	3	273.376	2.413	10	30		CEEEHN
COc1ccc(C#CCN)cc1COC[C@H]1CCCCO1	ZINC000049610757	523513132	/nfs/dbraw/zinc/51/31/32/523513132.db2.gz	VEZFSEYPZSOOPE-MRXNPFEDSA-N	0	3	289.375	2.091	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccccc2C#CCN)[C@@H]1C	ZINC000050568511	524212568	/nfs/dbraw/zinc/21/25/68/524212568.db2.gz	NUOTYXMBNZHEGS-ZIAGYGMSSA-N	0	3	270.376	2.257	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccccc2C#CCN)[C@H]1C	ZINC000050568514	524212803	/nfs/dbraw/zinc/21/28/03/524212803.db2.gz	NUOTYXMBNZHEGS-KGLIPLIRSA-N	0	3	270.376	2.257	10	30		CEEEHN
C[C@@H](c1ccc(C#CCN)cc1)N1CCCCC1=O	ZINC000049587752	526035629	/nfs/dbraw/zinc/03/56/29/526035629.db2.gz	OWPSNPJGUFEHRD-ZDUSSCGKSA-N	0	3	256.349	2.070	10	30		CEEEHN
N#CC(C(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCO2	ZINC000050963926	526507628	/nfs/dbraw/zinc/50/76/28/526507628.db2.gz	FOZALEAUUGHVTI-AAEUAGOBSA-N	0	3	273.288	2.161	10	30		CEEEHN
CCN1CCC[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1	ZINC000125865188	187203188	/nfs/dbraw/zinc/20/31/88/187203188.db2.gz	UCIXKIVRVQUVKS-LBPRGKRZSA-N	0	3	274.324	2.363	10	30		CEEEHN
C#C[C@@H](NC)c1ccc(I)cc1	ZINC000130151391	344350562	/nfs/dbraw/zinc/35/05/62/344350562.db2.gz	ZMUYCOTZOSITNZ-SNVBAGLBSA-N	0	3	271.101	2.185	10	30		CEEEHN
C#CC[C@@H](N)c1cc(OC)ccc1Br	ZINC000158335265	344450678	/nfs/dbraw/zinc/45/06/78/344450678.db2.gz	PVYBPIQUJJUPGM-LLVKDONJSA-N	0	3	254.127	2.481	10	30		CEEEHN
COC(=O)c1ccc(/C=[N+](\[O-])[C@@]2(C)CCCCC2=O)cc1	ZINC000225396045	344545260	/nfs/dbraw/zinc/54/52/60/344545260.db2.gz	LJNFBYWDTHIQGC-FDIDWWNZSA-N	0	3	290.339	2.196	10	30		CEEEHN
CN(C[C@@H]1CCc2nccn2C1)C(=O)Nc1ccccn1	ZINC000328633662	344757472	/nfs/dbraw/zinc/75/74/72/344757472.db2.gz	SSOAFBVMEUZIRY-LBPRGKRZSA-N	0	3	285.351	2.018	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2sccc2C#CCN)[C@@H]1C	ZINC000086081134	179227355	/nfs/dbraw/zinc/22/73/55/179227355.db2.gz	UVVLNOLUQJNRFR-WZRBSPASSA-N	0	3	276.405	2.223	10	30		CEEEHN
Cc1cc(NC(=O)c2ccncc2F)ccc1C#CCN	ZINC000086316933	179269976	/nfs/dbraw/zinc/26/99/76/179269976.db2.gz	PNOCMDVVRLDVGB-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CC[C@@H]1CN(C(=O)c2cccc(C#N)c2)[C@@H](CC)CN1	ZINC000086446694	179294825	/nfs/dbraw/zinc/29/48/25/179294825.db2.gz	UKAIUXQPWIMYTO-CABCVRRESA-N	0	3	271.364	2.161	10	30		CEEEHN
COC[C@@H](NC(=O)C(C#N)Cc1ccccc1)C(C)C	ZINC000086700777	179321479	/nfs/dbraw/zinc/32/14/79/179321479.db2.gz	OTJRJVQGHYWUJJ-LSDHHAIUSA-N	0	3	274.364	2.156	10	30		CEEEHN
Cc1c(C#CCN)cccc1C(=O)N(C)[C@@H](C)C(C)C	ZINC000088443723	179603503	/nfs/dbraw/zinc/60/35/03/179603503.db2.gz	JAKRFSLJMMUJBH-AWEZNQCLSA-N	0	3	272.392	2.422	10	30		CEEEHN
NCC#Cc1ccccc1NC(=O)[C@H]1Cc2ccccc21	ZINC000090985716	180080730	/nfs/dbraw/zinc/08/07/30/180080730.db2.gz	YNUVLQGTICOBCF-INIZCTEOSA-N	0	3	276.339	2.275	10	30		CEEEHN
CSC1(C#N)CCN(CC2(O)CCCCC2)CC1	ZINC000091472895	180165182	/nfs/dbraw/zinc/16/51/82/180165182.db2.gz	GMQFZABJTNKKJK-UHFFFAOYSA-N	0	3	268.426	2.403	10	30		CEEEHN
CCN(CC)C(=O)Nc1ccc(C#CCN)cc1C	ZINC000091962366	180293116	/nfs/dbraw/zinc/29/31/16/180293116.db2.gz	ORADNCWEQCCORN-UHFFFAOYSA-N	0	3	259.353	2.179	10	30		CEEEHN
C=CCNCC(=O)NCCc1ccc(Cl)cc1Cl	ZINC000105676990	186068271	/nfs/dbraw/zinc/06/82/71/186068271.db2.gz	TUDKKOGBIINSPX-UHFFFAOYSA-N	0	3	287.190	2.428	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1cccc(Cl)c1	ZINC000105913748	186089508	/nfs/dbraw/zinc/08/95/08/186089508.db2.gz	DQKWVEVOZTZWJD-UHFFFAOYSA-N	0	3	252.745	2.074	10	30		CEEEHN
Cc1cc(NC(=O)c2sccc2C#CCN)ccn1	ZINC000092365923	180369258	/nfs/dbraw/zinc/36/92/58/180369258.db2.gz	XBSHTUKLHNVVQB-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1cc(C)sc1C	ZINC000092473658	180392754	/nfs/dbraw/zinc/39/27/54/180392754.db2.gz	NJTUFKMHOFPCNM-SNVBAGLBSA-N	0	3	252.383	2.318	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@@H]1c1ccccc1C	ZINC000092474880	180393751	/nfs/dbraw/zinc/39/37/51/180393751.db2.gz	GQYNESZKZSIFJV-OAHLLOKOSA-N	0	3	258.365	2.434	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(C#CCN)c(F)c2)CC1	ZINC000110817792	186327588	/nfs/dbraw/zinc/32/75/88/186327588.db2.gz	OZZVSIHOUGVOEE-ZDUSSCGKSA-N	0	3	288.366	2.398	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1ccc(C#CCN)c(F)c1	ZINC000110847599	186328922	/nfs/dbraw/zinc/32/89/22/186328922.db2.gz	XNGOUUDYSXPRFY-UHFFFAOYSA-N	0	3	288.366	2.398	10	30		CEEEHN
NCC#Cc1ccc(CSc2ccncn2)c(F)c1	ZINC000111114971	186354111	/nfs/dbraw/zinc/35/41/11/186354111.db2.gz	GMYQGRDXHLOHBX-UHFFFAOYSA-N	0	3	273.336	2.218	10	30		CEEEHN
C[C@@H](CC(=O)Nc1ncc(C#CCN)s1)C(C)(C)C	ZINC000111653342	186437110	/nfs/dbraw/zinc/43/71/10/186437110.db2.gz	XUAYURALCQDKCC-JTQLQIEISA-N	0	3	279.409	2.464	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(C#N)c2)C1	ZINC000155602046	188215570	/nfs/dbraw/zinc/21/55/70/188215570.db2.gz	AOFPYTOXCKJFRQ-DOMZBBRYSA-N	0	3	271.364	2.017	10	30		CEEEHN
Fc1ccc(C#CCN2CCC[C@@H](Cn3cncn3)C2)cc1	ZINC000156666043	188275906	/nfs/dbraw/zinc/27/59/06/188275906.db2.gz	MMUGTSZWCDZPSL-MRXNPFEDSA-N	0	3	298.365	2.181	10	30		CEEEHN
COCC#CCN[C@H](C)c1ccc(OC)c(OC)c1	ZINC000678758758	541169817	/nfs/dbraw/zinc/16/98/17/541169817.db2.gz	FUBBPDDVISQXBT-GFCCVEGCSA-N	0	3	263.337	2.004	10	30		CEEEHN
Cn1cc([C@@H]2CCN(CCOc3cccc(C#N)c3)C2)cn1	ZINC000116311857	365049459	/nfs/dbraw/zinc/04/94/59/365049459.db2.gz	IOGNYUUUUOTQAD-OAHLLOKOSA-N	0	3	296.374	2.160	10	30		CEEEHN
C=CCOCCCC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000173142879	367873205	/nfs/dbraw/zinc/87/32/05/367873205.db2.gz	QTWCIERXSVVEMC-INIZCTEOSA-N	0	3	290.407	2.388	10	30		CEEEHN
C=CCC[C@H](O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC	ZINC000246013467	370900068	/nfs/dbraw/zinc/90/00/68/370900068.db2.gz	LRSIFOGFCIDANW-BARDWOONSA-N	0	3	281.396	2.120	10	30		CEEEHN
N#Cc1cccc(OCCCN2CCN3CCCC[C@H]3C2)c1	ZINC000246527388	370973742	/nfs/dbraw/zinc/97/37/42/370973742.db2.gz	PBHISXSBRTVYBA-KRWDZBQOSA-N	0	3	299.418	2.497	10	30		CEEEHN
C=CCC1(C(=O)N[C@@H]2CCCN(CC)C2)CCC1	ZINC000191300154	369699584	/nfs/dbraw/zinc/69/95/84/369699584.db2.gz	QRSHVLLMDGELLF-CYBMUJFWSA-N	0	3	250.386	2.333	10	30		CEEEHN
C=CCOc1ccccc1C(=O)N1CCN2CCC[C@@H]2C1	ZINC000195329104	370125754	/nfs/dbraw/zinc/12/57/54/370125754.db2.gz	PTNMILUZHUCJFJ-CQSZACIVSA-N	0	3	286.375	2.172	10	30		CEEEHN
CCN(CC)CCN[C@@]1(C#N)CCCS[C@@H]1C	ZINC000094479563	184808677	/nfs/dbraw/zinc/80/86/77/184808677.db2.gz	FCCIRDMAPDVZRV-CHWSQXEVSA-N	0	3	255.431	2.096	10	30		CEEEHN
Cc1cscc1CNC(=O)c1cccc(C#CCN)c1	ZINC000094883585	184887175	/nfs/dbraw/zinc/88/71/75/184887175.db2.gz	CSRLCBGKFHIALR-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1c1nc2c(cc1C#N)CCC2	ZINC000083550658	135030052	/nfs/dbraw/zinc/03/00/52/135030052.db2.gz	JDWJBABWJQDSCT-IUODEOHRSA-N	0	3	282.391	2.115	10	30		CEEEHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C#N)cs1	ZINC000246093152	394508969	/nfs/dbraw/zinc/50/89/69/394508969.db2.gz	HHWDDTPNVMXVIA-OLZOCXBDSA-N	0	3	289.404	2.319	10	30		CEEEHN
CNC(=O)[C@H](NCc1ccccc1C(C)(C)C#N)C(C)C	ZINC000183680551	395261401	/nfs/dbraw/zinc/26/14/01/395261401.db2.gz	ROLBWLGGWIHFSO-OAHLLOKOSA-N	0	3	287.407	2.348	10	30		CEEEHN
CCCCOC[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1	ZINC000227889323	153356269	/nfs/dbraw/zinc/35/62/69/153356269.db2.gz	RKDYOMGVAMSYCU-CJNGLKHVSA-N	0	3	276.380	2.386	10	30		CEEEHN
C=CCNCc1ccccc1OCC(=O)NC(C)(C)C	ZINC000020872422	171277461	/nfs/dbraw/zinc/27/74/61/171277461.db2.gz	HDBUJFOFQIMIRJ-UHFFFAOYSA-N	0	3	276.380	2.256	10	30		CEEEHN
CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000037508809	173242729	/nfs/dbraw/zinc/24/27/29/173242729.db2.gz	IKGIUBGQIDHEDE-COPLHBTASA-N	0	3	259.353	2.109	10	30		CEEEHN
OCCC#Cc1ccc(CN2CCCSCC2)s1	ZINC000043678603	175089511	/nfs/dbraw/zinc/08/95/11/175089511.db2.gz	HEVHMMQTFZCITA-UHFFFAOYSA-N	0	3	281.446	2.421	10	30		CEEEHN
CN(Cc1cscn1)Cc1cc(C#CCN)cs1	ZINC000043689137	175096269	/nfs/dbraw/zinc/09/62/69/175096269.db2.gz	AIXNGJBGHWJKFT-UHFFFAOYSA-N	0	3	277.418	2.147	10	30		CEEEHN
CCO[C@@H]1CCCN(Cc2cc(C#CCCO)cs2)C1	ZINC000043698668	175096778	/nfs/dbraw/zinc/09/67/78/175096778.db2.gz	HXZDTAKRZJFPKL-OAHLLOKOSA-N	0	3	293.432	2.483	10	30		CEEEHN
CN1CCC[C@H](CNC(=O)C2(C#N)CCCCCC2)C1	ZINC000044767393	175250126	/nfs/dbraw/zinc/25/01/26/175250126.db2.gz	OTGRSIQUDPEVPB-CQSZACIVSA-N	0	3	277.412	2.309	10	30		CEEEHN
CCO[C@H]1CCCN(C(=O)C(C#N)Cc2ccccc2)C1	ZINC000044826376	175259957	/nfs/dbraw/zinc/25/99/57/175259957.db2.gz	RXBPOYVAHRDLDQ-HOTGVXAUSA-N	0	3	286.375	2.396	10	30		CEEEHN
C=C(Br)CNC[C@H](C)N1CCCCC1	ZINC000044993094	175286788	/nfs/dbraw/zinc/28/67/88/175286788.db2.gz	AHCYYELBGQSVDP-NSHDSACASA-N	0	3	261.207	2.359	10	30		CEEEHN
CCCN(CC)Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266783	176100404	/nfs/dbraw/zinc/10/04/04/176100404.db2.gz	VNVJKCPXQCIPDS-UHFFFAOYSA-N	0	3	253.321	2.152	10	30		CEEEHN
Cc1cc(N2CCCCCC2=O)ccc1C#CCN	ZINC000071278319	176107858	/nfs/dbraw/zinc/10/78/58/176107858.db2.gz	ZVBRZKNBRPUXOH-UHFFFAOYSA-N	0	3	256.349	2.212	10	30		CEEEHN
Cc1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2C#N	ZINC000071678144	176243078	/nfs/dbraw/zinc/24/30/78/176243078.db2.gz	HMNZDZMFDDTVKO-WCQYABFASA-N	0	3	256.305	2.195	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)c1cccc(F)c1C#N	ZINC000188409767	262295002	/nfs/dbraw/zinc/29/50/02/262295002.db2.gz	NQFHVGGFGATCAP-LBPRGKRZSA-N	0	3	289.354	2.254	10	30		CEEEHN
C[C@H](C#N)CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000130987353	333892839	/nfs/dbraw/zinc/89/28/39/333892839.db2.gz	YLNHEIGGISEFMH-CHWSQXEVSA-N	0	3	281.400	2.383	10	30		CEEEHN
C=CCNC(=O)COc1ccc(Cl)cc1[C@H](C)N	ZINC000050209320	518896805	/nfs/dbraw/zinc/89/68/05/518896805.db2.gz	XWQQRPLSNGKPCI-VIFPVBQESA-N	0	3	268.744	2.041	10	30		CEEEHN
CC#CCOc1c(Cl)cc(CNCCOC)cc1OC	ZINC000062727893	519345164	/nfs/dbraw/zinc/34/51/64/519345164.db2.gz	IKUOIGNNUACCOQ-UHFFFAOYSA-N	0	3	297.782	2.487	10	30		CEEEHN
CC(C)NCc1nccn1Cc1ccc(C#N)cc1	ZINC000051005480	519729144	/nfs/dbraw/zinc/72/91/44/519729144.db2.gz	BXDYPVLVGHYGFV-UHFFFAOYSA-N	0	3	254.337	2.301	10	30		CEEEHN
CC(C)N[C@](C#N)(CN1CCN(C(C)(C)C)CC1)C1CC1	ZINC000069080466	519738775	/nfs/dbraw/zinc/73/87/75/519738775.db2.gz	DTELOBNTIHQAOU-QGZVFWFLSA-N	0	3	292.471	2.073	10	30		CEEEHN
CC[C@@H](C#N)Oc1cc(CNCCOC)ccc1[N+](=O)[O-]	ZINC000062733399	521801952	/nfs/dbraw/zinc/80/19/52/521801952.db2.gz	BDDGLWFKUPNHRQ-LBPRGKRZSA-N	0	3	293.323	2.012	10	30		CEEEHN
CN(Cc1cccc(C#CCN)c1)C(=O)C(C)(C)C	ZINC000049586899	523289998	/nfs/dbraw/zinc/28/99/98/523289998.db2.gz	XWNJSZOYAKELQH-UHFFFAOYSA-N	0	3	258.365	2.001	10	30		CEEEHN
CN(Cc1ccccc1C#CCCO)C[C@H]1CCCO1	ZINC000049614100	523356882	/nfs/dbraw/zinc/35/68/82/523356882.db2.gz	UUVUKUXIHQMAKU-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1ccncc1)Cc1cccc(C#CCN)c1	ZINC000049609302	523463441	/nfs/dbraw/zinc/46/34/41/523463441.db2.gz	KUYULTOPCWQXLR-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(F)c(C#CCN)c1	ZINC000049609852	523508470	/nfs/dbraw/zinc/50/84/70/523508470.db2.gz	FDIGPPOLTGVVHK-XJKSGUPXSA-N	0	3	290.382	2.135	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)c(F)c2)[C@@H]1C	ZINC000050568548	524208283	/nfs/dbraw/zinc/20/82/83/524208283.db2.gz	VIRNBYHYEFTCST-CHWSQXEVSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@@H]1CCCN(Cc2ccc(F)c(C#CCO)c2)C1	ZINC000049616081	524235653	/nfs/dbraw/zinc/23/56/53/524235653.db2.gz	ZBSRZFXMQOQIRE-CYBMUJFWSA-N	0	3	261.340	2.401	10	30		CEEEHN
C[C@@H](NC(=O)c1ccoc1)c1cccc(C#CCN)c1	ZINC000049587206	525366738	/nfs/dbraw/zinc/36/67/38/525366738.db2.gz	XCMZZJBTAWKFCR-GFCCVEGCSA-N	0	3	268.316	2.081	10	30		CEEEHN
N#CCc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1	ZINC000061611762	526483564	/nfs/dbraw/zinc/48/35/64/526483564.db2.gz	DPCFKMOUPHFFMN-INIZCTEOSA-N	0	3	279.343	2.434	10	30		CEEEHN
NCC#Cc1ccc(COc2ccccc2[N+](=O)[O-])cc1	ZINC000049611127	527149902	/nfs/dbraw/zinc/14/99/02/527149902.db2.gz	RRUVNEHDNBOTTA-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
C#C[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1	ZINC000757133096	574826352	/nfs/dbraw/zinc/82/63/52/574826352.db2.gz	GWBFQKVQHMSCBK-LLVKDONJSA-N	0	3	275.352	2.304	10	30		CEEEHN
C#CCCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1	ZINC000757134937	574826567	/nfs/dbraw/zinc/82/65/67/574826567.db2.gz	QKFFYDILBZKDBL-UHFFFAOYSA-N	0	3	275.352	2.305	10	30		CEEEHN
C[C@@H]1CNCCN1c1ccc(C#N)c(C(F)(F)F)c1	ZINC000034472665	343420015	/nfs/dbraw/zinc/42/00/15/343420015.db2.gz	GGWUVDPHMQZODB-SECBINFHSA-N	0	3	269.270	2.375	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)c1sccc1C#N	ZINC000128173740	187355867	/nfs/dbraw/zinc/35/58/67/187355867.db2.gz	OIROHVWXWCKIGI-GFCCVEGCSA-N	0	3	279.409	2.326	10	30		CEEEHN
C=CCC[C@H](O)CN(C)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000169677081	344481999	/nfs/dbraw/zinc/48/19/99/344481999.db2.gz	ASDYXGPDSLHJGF-HOTGVXAUSA-N	0	3	288.391	2.439	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000171085777	344495160	/nfs/dbraw/zinc/49/51/60/344495160.db2.gz	GADJXQUPGHAUQJ-CYBMUJFWSA-N	0	3	290.342	2.303	10	30		CEEEHN
C=C(C)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000128476626	187373416	/nfs/dbraw/zinc/37/34/16/187373416.db2.gz	HAFFDCHOCKKSRR-LLVKDONJSA-N	0	3	253.367	2.317	10	30		CEEEHN
C[C@H](CN1CCCC1)Nc1c(C#N)nnc2ccccc21	ZINC000085920248	179199394	/nfs/dbraw/zinc/19/93/94/179199394.db2.gz	YCWQKWUYJCVNFI-GFCCVEGCSA-N	0	3	281.363	2.398	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2ccc(C#CCN)s2)CC[C@@H]1C	ZINC000086081161	179227753	/nfs/dbraw/zinc/22/77/53/179227753.db2.gz	MOSXLJYNVCAXKW-DMDPSCGWSA-N	0	3	276.405	2.223	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1	ZINC000090985720	180080697	/nfs/dbraw/zinc/08/06/97/180080697.db2.gz	MHEQPRKWAPFENB-KRWDZBQOSA-N	0	3	276.339	2.275	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)N2CCCCC2)cc1F	ZINC000091969699	180294878	/nfs/dbraw/zinc/29/48/78/180294878.db2.gz	AONFIXITBVENMZ-UHFFFAOYSA-N	0	3	275.327	2.154	10	30		CEEEHN
CC1CCN(C(=O)Nc2ccc(C#CCN)c(F)c2)CC1	ZINC000091992558	180300607	/nfs/dbraw/zinc/30/06/07/180300607.db2.gz	RHXBCRWXRGCBLA-UHFFFAOYSA-N	0	3	289.354	2.400	10	30		CEEEHN
C[C@H]1CN(Cc2ccc(F)c(C#CCO)c2)C[C@H]1C	ZINC000092087037	180321333	/nfs/dbraw/zinc/32/13/33/180321333.db2.gz	MQIJZKKCAXDFJZ-BETUJISGSA-N	0	3	261.340	2.257	10	30		CEEEHN
C=CCNCC(=O)N[C@H](CCC)c1cccs1	ZINC000092475571	180393660	/nfs/dbraw/zinc/39/36/60/180393660.db2.gz	MVALLGJFXYJEKC-LLVKDONJSA-N	0	3	252.383	2.481	10	30		CEEEHN
CC(C)(C)OC(=O)NC1CCC(N)(CC#N)CC1	ZINC000575441366	366288761	/nfs/dbraw/zinc/28/87/61/366288761.db2.gz	HIXCCMDHUUWELA-UHFFFAOYSA-N	0	3	253.346	2.065	10	30		CEEEHN
CC#CCCN1CCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000155855852	366823489	/nfs/dbraw/zinc/82/34/89/366823489.db2.gz	ATBFHPIPGMABHJ-ZDUSSCGKSA-N	0	3	266.385	2.389	10	30		CEEEHN
CS(=O)(=O)OCC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000095076612	364332987	/nfs/dbraw/zinc/33/29/87/364332987.db2.gz	RTAULRCETRSRQQ-OAHLLOKOSA-N	0	3	297.420	2.265	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1C#N	ZINC000118907468	365188394	/nfs/dbraw/zinc/18/83/94/365188394.db2.gz	SXGAABYSBPBAKQ-AWEZNQCLSA-N	0	3	288.351	2.387	10	30		CEEEHN
C=CCCC[C@@H](C)NC(=O)N1CCN2CCC[C@H]2C1	ZINC000245939492	370891311	/nfs/dbraw/zinc/89/13/11/370891311.db2.gz	UOHKPAFKTXWBFI-KGLIPLIRSA-N	0	3	265.401	2.221	10	30		CEEEHN
N#Cc1ccccc1NC(=O)CCN1C[C@H]2CCC[C@@H]21	ZINC000533540458	395462579	/nfs/dbraw/zinc/46/25/79/395462579.db2.gz	SDVNPVVLRDZNCO-HIFRSBDPSA-N	0	3	269.348	2.371	10	30		CEEEHN
CC(C)c1nnc2n1C[C@@H](NCc1cccc(C#N)c1)CC2	ZINC000195405006	153288860	/nfs/dbraw/zinc/28/88/60/153288860.db2.gz	MFOSXVIOLVTZDC-HNNXBMFYSA-N	0	3	295.390	2.378	10	30		CEEEHN
CCN1CCC(C#N)(NCc2ccccc2OC)CC1	ZINC000020178238	171043625	/nfs/dbraw/zinc/04/36/25/171043625.db2.gz	QTCJNNKWYKWGHH-UHFFFAOYSA-N	0	3	273.380	2.163	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@@H](C)COc1ccc(C)cc1	ZINC000040499951	174296440	/nfs/dbraw/zinc/29/64/40/174296440.db2.gz	VSXRZLYITQARHV-KBPBESRZSA-N	0	3	276.380	2.043	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@@H]1C[C@H](OC)CN1	ZINC000040634089	174360090	/nfs/dbraw/zinc/36/00/90/174360090.db2.gz	UOELZBQJPDHMAX-AAEUAGOBSA-N	0	3	292.404	2.280	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@H](CN)c1ccccn1	ZINC000043341834	175015117	/nfs/dbraw/zinc/01/51/17/175015117.db2.gz	LENPGYZIVRSCOT-OAHLLOKOSA-N	0	3	269.304	2.041	10	30		CEEEHN
CC[C@H]1CO[C@H](C)CN1Cc1sccc1C#CCN	ZINC000043683984	175091760	/nfs/dbraw/zinc/09/17/60/175091760.db2.gz	XOCYGZSFEBVBFR-OCCSQVGLSA-N	0	3	278.421	2.058	10	30		CEEEHN
CCO[C@H]1CCCN(Cc2ccc(C#CCN)s2)C1	ZINC000043684106	175092677	/nfs/dbraw/zinc/09/26/77/175092677.db2.gz	XBZGHLYFUCQVHC-ZDUSSCGKSA-N	0	3	278.421	2.059	10	30		CEEEHN
NCC#Cc1ccc(COc2cccc(CO)c2)s1	ZINC000043685442	175093946	/nfs/dbraw/zinc/09/39/46/175093946.db2.gz	QEDNVLRCXXQDNQ-UHFFFAOYSA-N	0	3	273.357	2.130	10	30		CEEEHN
CC[C@@H]1CO[C@H](C)CN1Cc1cc(C#CCN)cs1	ZINC000043689013	175095695	/nfs/dbraw/zinc/09/56/95/175095695.db2.gz	OUECPBZJTHMKIS-TZMCWYRMSA-N	0	3	278.421	2.058	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCSCC1	ZINC000044824342	175259425	/nfs/dbraw/zinc/25/94/25/175259425.db2.gz	CCRJSANSHDNWFK-CQSZACIVSA-N	0	3	274.389	2.334	10	30		CEEEHN
Cc1nnc(NC[C@H](C)N2CCCCC2)c(C#N)c1C	ZINC000045008796	175288740	/nfs/dbraw/zinc/28/87/40/175288740.db2.gz	LLGWQVRFRFQTOB-NSHDSACASA-N	0	3	273.384	2.251	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCCN1CCN(C(C)C)CC1	ZINC000045311515	175356189	/nfs/dbraw/zinc/35/61/89/175356189.db2.gz	OYFQPXYKYHNIDY-QGZVFWFLSA-N	0	3	294.487	2.465	10	30		CEEEHN
C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1C#CCN	ZINC000071210979	176083233	/nfs/dbraw/zinc/08/32/33/176083233.db2.gz	MISVUULBZLXWKY-IAQYHMDHSA-N	0	3	274.339	2.054	10	30		CEEEHN
C[C@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1C#CCN	ZINC000071210980	176083243	/nfs/dbraw/zinc/08/32/43/176083243.db2.gz	MISVUULBZLXWKY-XHDPSFHLSA-N	0	3	274.339	2.054	10	30		CEEEHN
N#Cc1cccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1F	ZINC000399006249	268249106	/nfs/dbraw/zinc/24/91/06/268249106.db2.gz	OUVXJJRYVUXOEN-AEGPPILISA-N	0	3	274.339	2.290	10	30		CEEEHN
C#CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)NCC	ZINC000062746834	518283333	/nfs/dbraw/zinc/28/33/33/518283333.db2.gz	RTEXCZSTYQGIDU-RYUDHWBXSA-N	0	3	292.354	2.013	10	30		CEEEHN
C=C(C)COc1cc(CNCCOC)ccc1[N+](=O)[O-]	ZINC000062733384	518611933	/nfs/dbraw/zinc/61/19/33/518611933.db2.gz	RLNUYZAJJWSNSR-UHFFFAOYSA-N	0	3	280.324	2.286	10	30		CEEEHN
CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OCC#N	ZINC000062732024	518764712	/nfs/dbraw/zinc/76/47/12/518764712.db2.gz	CGSRRDIJMFEEOX-UHFFFAOYSA-N	0	3	263.297	2.385	10	30		CEEEHN
C=C[C@@H](C)Oc1ccc(OC)cc1CNCCOC	ZINC000062727753	519294695	/nfs/dbraw/zinc/29/46/95/519294695.db2.gz	VCFUHVZNNRSTLT-GFCCVEGCSA-N	0	3	265.353	2.385	10	30		CEEEHN
CC(C)c1ccc(C(C#N)C(=O)[C@H]2COCCO2)cc1	ZINC000055302104	519838934	/nfs/dbraw/zinc/83/89/34/519838934.db2.gz	ILYBYPAQTRZGDV-HUUCEWRRSA-N	0	3	273.332	2.402	10	30		CEEEHN
CC(C)c1nccn1Cc1ccc(C#CCN)cc1	ZINC000049610131	519880348	/nfs/dbraw/zinc/88/03/48/519880348.db2.gz	ZFENSIKGKYMJEM-UHFFFAOYSA-N	0	3	253.349	2.365	10	30		CEEEHN
CCN(CCOC)Cc1ccc(F)cc1C#CCCO	ZINC000049614293	521135171	/nfs/dbraw/zinc/13/51/71/521135171.db2.gz	DEQKJWHZNKZEIC-UHFFFAOYSA-N	0	3	279.355	2.028	10	30		CEEEHN
COC1CCN(Cc2ccc(C#CCCO)cc2)CC1	ZINC000049618089	522704709	/nfs/dbraw/zinc/70/47/09/522704709.db2.gz	TYZNLUUHJOMGHM-UHFFFAOYSA-N	0	3	273.376	2.031	10	30		CEEEHN
COC1CCN(Cc2ccccc2C#CCCO)CC1	ZINC000049618086	522705088	/nfs/dbraw/zinc/70/50/88/522705088.db2.gz	DMOYIDMASAQXRZ-UHFFFAOYSA-N	0	3	273.376	2.031	10	30		CEEEHN
COCC1CCN([C@@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068616606	522935415	/nfs/dbraw/zinc/93/54/15/522935415.db2.gz	ZNXLDMQRQPGBNH-BBRMVZONSA-N	0	3	279.428	2.158	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1F)[C@@H]1CCSC1	ZINC000049609005	523204987	/nfs/dbraw/zinc/20/49/87/523204987.db2.gz	IFBAIWQIWGQRKS-CQSZACIVSA-N	0	3	278.396	2.073	10	30		CEEEHN
CN(Cc1cccc(C#CCN)c1)Cc1ccccn1	ZINC000049609244	523290994	/nfs/dbraw/zinc/29/09/94/523290994.db2.gz	YAAKIXMHNGHFMA-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
CN(Cc1ccco1)Cc1ccc(C#CCN)cc1	ZINC000049609117	523436038	/nfs/dbraw/zinc/43/60/38/523436038.db2.gz	ZUVRQHIDLYWSJB-UHFFFAOYSA-N	0	3	254.333	2.222	10	30		CEEEHN
COc1ccc(C#CCN)cc1Cn1ccnc1C(C)C	ZINC000049610132	523517049	/nfs/dbraw/zinc/51/70/49/523517049.db2.gz	FPTMAYJYAPLDBB-UHFFFAOYSA-N	0	3	283.375	2.374	10	30		CEEEHN
COCCNCc1cc(C)c(O[C@H](C)C#N)c(C)c1	ZINC000062728708	523948264	/nfs/dbraw/zinc/94/82/64/523948264.db2.gz	BSBCLEXCXMHHRZ-CYBMUJFWSA-N	0	3	262.353	2.330	10	30		CEEEHN
COCCNCc1cccc(OCCCCC#N)c1	ZINC000062731744	523954579	/nfs/dbraw/zinc/95/45/79/523954579.db2.gz	WTLSPRMKPGNRLV-UHFFFAOYSA-N	0	3	262.353	2.495	10	30		CEEEHN
Cc1cc(C(=O)NCc2ccccc2C#CCN)c(C)o1	ZINC000049586432	524109058	/nfs/dbraw/zinc/10/90/58/524109058.db2.gz	GTPVTFUZTJSHJW-UHFFFAOYSA-N	0	3	282.343	2.137	10	30		CEEEHN
C[C@H](CN1CCCC1)NCc1cc(C#N)ccc1F	ZINC000049180284	524317266	/nfs/dbraw/zinc/31/72/66/524317266.db2.gz	WBCZNZGXVDFUPH-GFCCVEGCSA-N	0	3	261.344	2.271	10	30		CEEEHN
C[C@@H]1CCC[C@H](N(C)C(=O)c2cncc(C#CCN)c2)C1	ZINC000049629610	524390260	/nfs/dbraw/zinc/39/02/60/524390260.db2.gz	CSMYRVZGSLEADW-CJNGLKHVSA-N	0	3	285.391	2.043	10	30		CEEEHN
C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H]1CCCO1	ZINC000183202198	525590756	/nfs/dbraw/zinc/59/07/56/525590756.db2.gz	VZPZXKFCHKGUPU-TYNCELHUSA-N	0	3	287.363	2.042	10	30		CEEEHN
Cc1ccc(C(=O)N[C@H](C)c2cccc(C#CCN)c2)o1	ZINC000049587103	526210671	/nfs/dbraw/zinc/21/06/71/526210671.db2.gz	RDFALDSWZFEPCM-CYBMUJFWSA-N	0	3	282.343	2.389	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	ZINC000049586241	527149854	/nfs/dbraw/zinc/14/98/54/527149854.db2.gz	VSXUMGZMNZXHJH-GVDBMIGSSA-N	0	3	282.387	2.049	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)Nc2ccccc2)c1	ZINC000049587507	527152428	/nfs/dbraw/zinc/15/24/28/527152428.db2.gz	VAJXFMBYYKGIAX-UHFFFAOYSA-N	0	3	279.343	2.319	10	30		CEEEHN
Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@@H](C)O2)c1	ZINC000248293960	624891756	/nfs/dbraw/zinc/89/17/56/624891756.db2.gz	XQXUSCMNKRQEFJ-MRVWCRGKSA-N	0	3	286.331	2.210	10	30		CEEEHN
COC(=O)c1ccc(/C=[N+](\[O-])[C@]2(C)CCCCC2=O)cc1	ZINC000225396089	344545126	/nfs/dbraw/zinc/54/51/26/344545126.db2.gz	LJNFBYWDTHIQGC-FEEIMYBTSA-N	0	3	290.339	2.196	10	30		CEEEHN
N#C[C@@H]1CCC[C@@H]1N[C@H]1CCO[C@@H](C(F)(F)F)C1	ZINC000336787714	365807499	/nfs/dbraw/zinc/80/74/99/365807499.db2.gz	MMDDBPNFNACVIQ-XWLWVQCSSA-N	0	3	262.275	2.378	10	30		CEEEHN
Cc1ccc(F)cc1COc1cncc(C#CCN)c1	ZINC000097854761	185673719	/nfs/dbraw/zinc/67/37/19/185673719.db2.gz	USMDDTXGUQSPBD-UHFFFAOYSA-N	0	3	270.307	2.418	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CCN)cc2)[C@@H]1C	ZINC000086081166	179227311	/nfs/dbraw/zinc/22/73/11/179227311.db2.gz	UOTHYVLJBKRWEI-IOASZLSFSA-N	0	3	270.376	2.161	10	30		CEEEHN
CCCN[C@H]1CCN(c2cc(Cl)ccc2C#N)C1=O	ZINC000086115372	179234377	/nfs/dbraw/zinc/23/43/77/179234377.db2.gz	XGQYTPXVOYXGSV-LBPRGKRZSA-N	0	3	277.755	2.317	10	30		CEEEHN
C#CCN1C[C@](C)(c2ccccc2)NC[C@H]1C(C)C	ZINC000086222880	179250589	/nfs/dbraw/zinc/25/05/89/179250589.db2.gz	WQKLJSDOSNPORT-DLBZAZTESA-N	0	3	256.393	2.465	10	30		CEEEHN
Cc1ccc(NC(=O)c2ccncc2F)c(C#CCN)c1	ZINC000086316934	179269924	/nfs/dbraw/zinc/26/99/24/179269924.db2.gz	JIBFHJNHVATZBG-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
COC[C@H](NC(=O)C(C#N)Cc1ccccc1)C(C)C	ZINC000086700779	179321656	/nfs/dbraw/zinc/32/16/56/179321656.db2.gz	OTJRJVQGHYWUJJ-GJZGRUSLSA-N	0	3	274.364	2.156	10	30		CEEEHN
COc1ccc(C#CCN)c(Cn2ncc(Cl)c2C)c1	ZINC000087795450	179487121	/nfs/dbraw/zinc/48/71/21/179487121.db2.gz	MKOVQPJBRCGKDB-UHFFFAOYSA-N	0	3	289.766	2.212	10	30		CEEEHN
CCN(CC)C(=O)Nc1ccc(C#CCN)c(C)c1	ZINC000091962364	180293005	/nfs/dbraw/zinc/29/30/05/180293005.db2.gz	SXRYQNWNNJCBMK-UHFFFAOYSA-N	0	3	259.353	2.179	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@@H](C)c1ccc(F)cc1	ZINC000105996705	186097009	/nfs/dbraw/zinc/09/70/09/186097009.db2.gz	NVOZQCMEVIVRIS-NSHDSACASA-N	0	3	250.317	2.121	10	30		CEEEHN
C=CCNCC(=O)Nc1ccccc1CN(CC)CC	ZINC000092474240	180393779	/nfs/dbraw/zinc/39/37/79/180393779.db2.gz	KFESIRQYSITITC-UHFFFAOYSA-N	0	3	275.396	2.243	10	30		CEEEHN
C=CCNCC(=O)N1CCCCC[C@H]1c1cccn1C	ZINC000092474537	180393921	/nfs/dbraw/zinc/39/39/21/180393921.db2.gz	FFFDTCNJXIGNBC-HNNXBMFYSA-N	0	3	275.396	2.244	10	30		CEEEHN
C=CCNCC(=O)N(CCC)Cc1ccc(C#N)cc1	ZINC000092474696	180394254	/nfs/dbraw/zinc/39/42/54/180394254.db2.gz	GDLVQIDRVDRTKQ-UHFFFAOYSA-N	0	3	271.364	2.072	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1ccc(C#CCN)cc1F	ZINC000110847585	186328700	/nfs/dbraw/zinc/32/87/00/186328700.db2.gz	GJRQRUKLLRVPIV-UHFFFAOYSA-N	0	3	288.366	2.398	10	30		CEEEHN
C=CCC[C@H](CN(C)CCN(C)C)Oc1nccs1	ZINC000072426663	363134667	/nfs/dbraw/zinc/13/46/67/363134667.db2.gz	XINIDRXHSBYCBV-CYBMUJFWSA-N	0	3	283.441	2.350	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C1	ZINC000154089213	188123052	/nfs/dbraw/zinc/12/30/52/188123052.db2.gz	FOOSOWDAPRLCOZ-RISCZKNCSA-N	0	3	263.410	2.438	10	30		CEEEHN
CC(C)N1CCCC[C@H]1C(=O)N1CCC(C#N)CC1	ZINC000156028764	366825619	/nfs/dbraw/zinc/82/56/19/366825619.db2.gz	WBPVBMQYWHMVAN-AWEZNQCLSA-N	0	3	263.385	2.011	10	30		CEEEHN
C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000246806815	371013280	/nfs/dbraw/zinc/01/32/80/371013280.db2.gz	BNNFUUBFZGJQPP-WMLDXEAASA-N	0	3	285.391	2.026	10	30		CEEEHN
CC(C)[C@H](C)CNC(=O)c1ccccc1C#CCN	ZINC000081109445	177770824	/nfs/dbraw/zinc/77/08/24/177770824.db2.gz	MKKLJHLRMBYUBU-CYBMUJFWSA-N	0	3	258.365	2.019	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2csc(C#CCN)c2)CC1	ZINC000093976486	184747125	/nfs/dbraw/zinc/74/71/25/184747125.db2.gz	URCAEHHBKSIACX-GFCCVEGCSA-N	0	3	276.405	2.321	10	30		CEEEHN
Cc1nnc(SCc2cc(F)cc(C#CCN)c2)o1	ZINC000093994243	184748922	/nfs/dbraw/zinc/74/89/22/184748922.db2.gz	RQWCJHKRBMJYNZ-UHFFFAOYSA-N	0	3	277.324	2.120	10	30		CEEEHN
N#Cc1ccc(N2CCC[C@H](N)C2=O)cc1C(F)(F)F	ZINC000088191974	135052992	/nfs/dbraw/zinc/05/29/92/135052992.db2.gz	BDBOEODALKLZQS-NSHDSACASA-N	0	3	283.253	2.031	10	30		CEEEHN
C[C@H]1CN2CCC[C@H]2CN1c1nc(Cl)c(C#N)s1	ZINC000287421741	395041339	/nfs/dbraw/zinc/04/13/39/395041339.db2.gz	QGSWPZZJTKNQOV-IUCAKERBSA-N	0	3	282.800	2.341	10	30		CEEEHN
Cc1cnn([C@@H]2CCCN(CCCSCC#N)C2)c1	ZINC000173888427	395116889	/nfs/dbraw/zinc/11/68/89/395116889.db2.gz	OSGKONLDMPXSMR-CQSZACIVSA-N	0	3	278.425	2.475	10	30		CEEEHN
N#Cc1cc(F)ccc1NC(=O)N1CCN2CCC[C@H]2C1	ZINC000193724532	153240834	/nfs/dbraw/zinc/24/08/34/153240834.db2.gz	AFZWOQQSQXVQGB-ZDUSSCGKSA-N	0	3	288.326	2.009	10	30		CEEEHN
N#Cc1cccc(C#N)c1NCCN1CCCCC1	ZINC000302858523	154200292	/nfs/dbraw/zinc/20/02/92/154200292.db2.gz	SZRBIOGWVHVWDG-UHFFFAOYSA-N	0	3	254.337	2.328	10	30		CEEEHN
N#CCCN(C(=O)CNC1CCCC1)c1ccccc1	ZINC000037387046	173170651	/nfs/dbraw/zinc/17/06/51/173170651.db2.gz	BXWZQNCSMMURJI-UHFFFAOYSA-N	0	3	271.364	2.465	10	30		CEEEHN
Cc1c(F)cccc1NC(=O)c1cncc(C#CCN)c1	ZINC000043322881	175006492	/nfs/dbraw/zinc/00/64/92/175006492.db2.gz	LHUUVHLNQYNUEB-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
OCC#Cc1ccsc1CN1CCCSCC1	ZINC000043678605	175089787	/nfs/dbraw/zinc/08/97/87/175089787.db2.gz	BTNPMUGPWHTSMA-UHFFFAOYSA-N	0	3	267.419	2.031	10	30		CEEEHN
CN(Cc1sccc1C#CCN)CC(F)(F)F	ZINC000043683798	175091600	/nfs/dbraw/zinc/09/16/00/175091600.db2.gz	LESSWYGEHKZWMB-UHFFFAOYSA-N	0	3	262.300	2.052	10	30		CEEEHN
CN(Cc1ccc(C#CCN)s1)CC(F)(F)F	ZINC000043683797	175092109	/nfs/dbraw/zinc/09/21/09/175092109.db2.gz	OLEFDTVCAQNHMA-UHFFFAOYSA-N	0	3	262.300	2.052	10	30		CEEEHN
CN(Cc1cscn1)Cc1ccc(C#CCN)s1	ZINC000043684271	175092562	/nfs/dbraw/zinc/09/25/62/175092562.db2.gz	RRNNZUOBXAJVSK-UHFFFAOYSA-N	0	3	277.418	2.147	10	30		CEEEHN
NCC#Cc1ccc(Cn2cnc3ccccc32)s1	ZINC000043684350	175093283	/nfs/dbraw/zinc/09/32/83/175093283.db2.gz	VYVJSGNYDOCNPV-UHFFFAOYSA-N	0	3	267.357	2.456	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCC[C@H]1CCO	ZINC000044811817	175258005	/nfs/dbraw/zinc/25/80/05/175258005.db2.gz	ZIKCKSAWBRUKDD-CVEARBPZSA-N	0	3	286.375	2.132	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1cccc(C#CCN)c1	ZINC000045091834	175305996	/nfs/dbraw/zinc/30/59/96/175305996.db2.gz	DQJTZFHGTSOCQI-UHFFFAOYSA-N	0	3	258.365	2.115	10	30		CEEEHN
CCCN1CCN(CCCC[C@](C)(C#N)NCC)CC1	ZINC000045306464	175355613	/nfs/dbraw/zinc/35/56/13/175355613.db2.gz	RGLQKGBYPLIBNT-MRXNPFEDSA-N	0	3	280.460	2.076	10	30		CEEEHN
CC[C@@H]1CO[C@@H](C)CN1CCCC[C@@](C)(C#N)NC	ZINC000045318312	175359255	/nfs/dbraw/zinc/35/92/55/175359255.db2.gz	HKCRVQICCNNDHY-ZNMIVQPWSA-N	0	3	267.417	2.158	10	30		CEEEHN
Cc1ccc(C(=O)NCc2ccc(C#CCN)s2)c(C)n1	ZINC000071322973	176123374	/nfs/dbraw/zinc/12/33/74/176123374.db2.gz	ZOBYBVUKLGRVMU-UHFFFAOYSA-N	0	3	299.399	2.000	10	30		CEEEHN
COCCNCc1cc(C)ccc1OCCCC#N	ZINC000071407535	176156412	/nfs/dbraw/zinc/15/64/12/176156412.db2.gz	DUPHEGRLCVUKRZ-UHFFFAOYSA-N	0	3	262.353	2.414	10	30		CEEEHN
Cc1cccc2c1C(=O)N(CC(C)(C)CO)C2C#N	ZINC000071678159	176243273	/nfs/dbraw/zinc/24/32/73/176243273.db2.gz	MEJSOJQHTOUZBP-LBPRGKRZSA-N	0	3	258.321	2.034	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C	ZINC000185559443	329326658	/nfs/dbraw/zinc/32/66/58/329326658.db2.gz	HVGGLIKRKLKRNS-MELADBBJSA-N	0	3	250.386	2.284	10	30		CEEEHN
C[C@@H](C#N)CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000130987149	333892995	/nfs/dbraw/zinc/89/29/95/333892995.db2.gz	YLNHEIGGISEFMH-STQMWFEESA-N	0	3	281.400	2.383	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCN1CCN([C@H](C)CC)CC1	ZINC000055070145	520031779	/nfs/dbraw/zinc/03/17/79/520031779.db2.gz	YRQNMVZQJXXIQV-IAGOWNOFSA-N	0	3	294.487	2.465	10	30		CEEEHN
CC(C)CN(CCC#N)C(=O)[C@@H](CN)c1ccccc1	ZINC000061612191	519714850	/nfs/dbraw/zinc/71/48/50/519714850.db2.gz	OTGLVAGGICLGEM-HNNXBMFYSA-N	0	3	273.380	2.127	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N1CCC(COC)CC1	ZINC000068616623	520101650	/nfs/dbraw/zinc/10/16/50/520101650.db2.gz	JVWZDFSXZLXQGR-ZBFHGGJFSA-N	0	3	281.444	2.405	10	30		CEEEHN
CCCCN(CCO)Cc1ccc(C#CCCO)cc1F	ZINC000049614006	520521696	/nfs/dbraw/zinc/52/16/96/520521696.db2.gz	CGWISPWUWNRVPQ-UHFFFAOYSA-N	0	3	293.382	2.154	10	30		CEEEHN
CCCCNC(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049587419	520643197	/nfs/dbraw/zinc/64/31/97/520643197.db2.gz	JNJFHHJGMSRGOZ-CYBMUJFWSA-N	0	3	273.380	2.157	10	30		CEEEHN
COCCSCc1ccc(F)c(C#CCN)c1	ZINC000049611514	521779108	/nfs/dbraw/zinc/77/91/08/521779108.db2.gz	XDVFQWSIBAVGQR-UHFFFAOYSA-N	0	3	253.342	2.016	10	30		CEEEHN
CN(C)C[C@H]1CCCN1Cc1ccc(C#N)cc1F	ZINC000061644164	521870350	/nfs/dbraw/zinc/87/03/50/521870350.db2.gz	JLNNBWNWRVWLJO-CQSZACIVSA-N	0	3	261.344	2.223	10	30		CEEEHN
CC[C@H](CC1CC1)NC(=O)c1cc(C#CCN)ccc1F	ZINC000070108747	522118757	/nfs/dbraw/zinc/11/87/57/522118757.db2.gz	YBWYVUWNULRDEK-CQSZACIVSA-N	0	3	288.366	2.444	10	30		CEEEHN
CC[C@@H](NC(=O)c1ccc(C#CCN)cc1F)C(C)C	ZINC000049148558	522780126	/nfs/dbraw/zinc/78/01/26/522780126.db2.gz	VTNDHTHRJQNEPE-OAHLLOKOSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@@H](NC(=O)c1cncc(C#CCN)c1)c1cccs1	ZINC000049629698	522798564	/nfs/dbraw/zinc/79/85/64/522798564.db2.gz	HNWCABQENBHVOS-CQSZACIVSA-N	0	3	299.399	2.334	10	30		CEEEHN
CN(Cc1ccccc1C#CCN)C(=O)C(C)(C)C	ZINC000049586821	523356530	/nfs/dbraw/zinc/35/65/30/523356530.db2.gz	FQXXEQOQNPQSNU-UHFFFAOYSA-N	0	3	258.365	2.001	10	30		CEEEHN
CN(Cc1ccccc1C#CCO)C[C@@H]1CCCCO1	ZINC000049613694	523360471	/nfs/dbraw/zinc/36/04/71/523360471.db2.gz	CWSNZOOTFINRPB-KRWDZBQOSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1ccco1)Cc1ccc(F)cc1C#CCN	ZINC000049609123	523436590	/nfs/dbraw/zinc/43/65/90/523436590.db2.gz	FVPATUDVHHHDMR-UHFFFAOYSA-N	0	3	272.323	2.361	10	30		CEEEHN
COCCNCc1cc(Cl)c(O[C@H](C)C#N)c(OC)c1	ZINC000062727905	523948538	/nfs/dbraw/zinc/94/85/38/523948538.db2.gz	DKMBJSIUHDMMBR-SNVBAGLBSA-N	0	3	298.770	2.375	10	30		CEEEHN
COCCNCc1cc(Cl)c(O[C@@H](C)C#N)c(OC)c1	ZINC000062727904	523948550	/nfs/dbraw/zinc/94/85/50/523948550.db2.gz	DKMBJSIUHDMMBR-JTQLQIEISA-N	0	3	298.770	2.375	10	30		CEEEHN
CC[C@H](C)N1CCN(CCCC[C@](C)(C#N)NC)CC1	ZINC000055070191	523952239	/nfs/dbraw/zinc/95/22/39/523952239.db2.gz	FVTOQDVNMXNQMQ-JKSUJKDBSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCc1ccc(NC(=O)c2cncc(C#CCN)c2)cc1	ZINC000049629360	523991997	/nfs/dbraw/zinc/99/19/97/523991997.db2.gz	VFSMETRRRSDSAH-UHFFFAOYSA-N	0	3	279.343	2.207	10	30		CEEEHN
COc1ccc(Cn2ccnc2C(C)C)cc1C#CCN	ZINC000049610133	524261739	/nfs/dbraw/zinc/26/17/39/524261739.db2.gz	AFWOCNALXVMPFU-UHFFFAOYSA-N	0	3	283.375	2.374	10	30		CEEEHN
C[C@H](C[C@@](C)(C#N)NC1CC1)N1CCN(C(C)(C)C)CC1	ZINC000068613164	524631940	/nfs/dbraw/zinc/63/19/40/524631940.db2.gz	KTJFLADIONBBCX-PBHICJAKSA-N	0	3	292.471	2.215	10	30		CEEEHN
C[C@H](c1ccc(C#CCN)cc1)N1CCCCC1=O	ZINC000049587753	526040824	/nfs/dbraw/zinc/04/08/24/526040824.db2.gz	OWPSNPJGUFEHRD-CYBMUJFWSA-N	0	3	256.349	2.070	10	30		CEEEHN
Cc1ccc(C(=O)NCc2ccccc2C#CCN)s1	ZINC000049586428	526186751	/nfs/dbraw/zinc/18/67/51/526186751.db2.gz	OHLJFYFYIDEEQG-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
N#C[C@@H](N)CCN1CCC(Cc2ccccc2)CC1	ZINC000062369517	526495545	/nfs/dbraw/zinc/49/55/45/526495545.db2.gz	SBDNYXLMVHCWMI-INIZCTEOSA-N	0	3	257.381	2.182	10	30		CEEEHN
NCC#Cc1cc(CSc2ncccn2)ccc1F	ZINC000049611453	527147563	/nfs/dbraw/zinc/14/75/63/527147563.db2.gz	DKRTZWYYYATXCF-UHFFFAOYSA-N	0	3	273.336	2.218	10	30		CEEEHN
NCC#Cc1ccc(COc2ccc3c(c2)OCO3)cc1	ZINC000049610855	527150742	/nfs/dbraw/zinc/15/07/42/527150742.db2.gz	XUQAQXLAPKJNMP-UHFFFAOYSA-N	0	3	281.311	2.305	10	30		CEEEHN
C#CCOc1ccccc1CN1CCN2CCCC[C@@H]2C1	ZINC000092616161	628136840	/nfs/dbraw/zinc/13/68/40/628136840.db2.gz	PRGOWENRSDJGGQ-QGZVFWFLSA-N	0	3	284.403	2.369	10	30		CEEEHN
C#CCOC[C@H](O)CN(Cc1ccc(C)o1)CC(C)C	ZINC000036097550	361828092	/nfs/dbraw/zinc/82/80/92/361828092.db2.gz	UJQGESKFMXESLR-OAHLLOKOSA-N	0	3	279.380	2.057	10	30		CEEEHN
N#Cc1ccc(F)c(CNC[C@H]2CCCC[C@H]2O)c1	ZINC000085984781	179211264	/nfs/dbraw/zinc/21/12/64/179211264.db2.gz	NAKLPZZGEVMZCQ-IUODEOHRSA-N	0	3	262.328	2.338	10	30		CEEEHN
N#Cc1ccc(Cl)cc1N1CC[C@@H](NC2CC2)C1=O	ZINC000086115351	179234408	/nfs/dbraw/zinc/23/44/08/179234408.db2.gz	XEGDFGYPEYOLAL-GFCCVEGCSA-N	0	3	275.739	2.069	10	30		CEEEHN
COc1ccc(CO[C@@H](C)C(F)(F)F)cc1C#CCN	ZINC000090673650	180021562	/nfs/dbraw/zinc/02/15/62/180021562.db2.gz	HEPOQKMTCAILAH-JTQLQIEISA-N	0	3	287.281	2.473	10	30		CEEEHN
NCC#Cc1ccc(OC[C@@H]2Cc3ccccc3O2)cc1	ZINC000090876383	180052162	/nfs/dbraw/zinc/05/21/62/180052162.db2.gz	LOGVZFZFYLVHDT-KRWDZBQOSA-N	0	3	279.339	2.379	10	30		CEEEHN
NCC#Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc21	ZINC000090985717	180080591	/nfs/dbraw/zinc/08/05/91/180080591.db2.gz	YNUVLQGTICOBCF-MRXNPFEDSA-N	0	3	276.339	2.275	10	30		CEEEHN
C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1C#CCN	ZINC000091462534	180162649	/nfs/dbraw/zinc/16/26/49/180162649.db2.gz	ISVLTRJOMFUMSP-BBRMVZONSA-N	0	3	285.391	2.043	10	30		CEEEHN
CSC1(C#N)CCN(CC[C@H]2CCCO2)CC1	ZINC000091477388	180166289	/nfs/dbraw/zinc/16/62/89/180166289.db2.gz	YVLSVDCQWHCIJL-GFCCVEGCSA-N	0	3	254.399	2.277	10	30		CEEEHN
COc1ccc(C#CCN)cc1NC(=O)N1CCCCC1	ZINC000091969689	180294981	/nfs/dbraw/zinc/29/49/81/180294981.db2.gz	XRVXOUFQOMHHKL-UHFFFAOYSA-N	0	3	287.363	2.023	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F	ZINC000092474678	180393626	/nfs/dbraw/zinc/39/36/26/180393626.db2.gz	NTQOQKKVZVSUAG-JTQLQIEISA-N	0	3	268.307	2.260	10	30		CEEEHN
Cc1cccc(COc2ccccc2C#CCN)n1	ZINC000092431816	180384514	/nfs/dbraw/zinc/38/45/14/180384514.db2.gz	JISPYYMHJWYRPQ-UHFFFAOYSA-N	0	3	252.317	2.279	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1ccc(F)cc1C#CCN	ZINC000110847558	186329106	/nfs/dbraw/zinc/32/91/06/186329106.db2.gz	IKGWYVVMSUCBED-UHFFFAOYSA-N	0	3	288.366	2.398	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCCN1CCN(C)C(C)(C)C1	ZINC000110737515	186319333	/nfs/dbraw/zinc/31/93/33/186319333.db2.gz	WDSOPWZJMGJOTO-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCOCCN(CC)CC[C@@](C)(C#N)NC(C)C	ZINC000111121576	186355628	/nfs/dbraw/zinc/35/56/28/186355628.db2.gz	LMAFGRKQNGRROC-AWEZNQCLSA-N	0	3	255.406	2.015	10	30		CEEEHN
C#CCOc1ccccc1CN1CCC[C@@H](C(=O)OC)C1	ZINC000123242753	187079578	/nfs/dbraw/zinc/07/95/78/187079578.db2.gz	YPBWBYYRXLKGDF-OAHLLOKOSA-N	0	3	287.359	2.084	10	30		CEEEHN
C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000135112456	366396785	/nfs/dbraw/zinc/39/67/85/366396785.db2.gz	HIVXONJWMPSKFY-GZBFAFLISA-N	0	3	252.402	2.434	10	30		CEEEHN
C#CCOc1ccccc1CNCCN(CC)CC	ZINC000020089714	361579105	/nfs/dbraw/zinc/57/91/05/361579105.db2.gz	JKEOPUSXYUCVDZ-UHFFFAOYSA-N	0	3	260.381	2.130	10	30		CEEEHN
N#Cc1cc(NC[C@H]2NCCc3ccccc32)ccn1	ZINC000261648347	371691851	/nfs/dbraw/zinc/69/18/51/371691851.db2.gz	DCGOULSAKSUTRZ-MRXNPFEDSA-N	0	3	264.332	2.252	10	30		CEEEHN
CC(C)(C)[C@@H](O)CNCc1ccc(C#N)cc1F	ZINC000269453460	372454982	/nfs/dbraw/zinc/45/49/82/372454982.db2.gz	WJIAAELQQWZHCB-ZDUSSCGKSA-N	0	3	250.317	2.194	10	30		CEEEHN
Cc1nc(N2C[C@@H](C)NC[C@@H]2C)c(Cl)cc1C#N	ZINC000261566560	394602911	/nfs/dbraw/zinc/60/29/11/394602911.db2.gz	IHQJBVTVJSLTOG-BDAKNGLRSA-N	0	3	264.760	2.102	10	30		CEEEHN
CCCOc1ccc([C@H](C#N)NCCN(C)C)cc1	ZINC000020176425	171042249	/nfs/dbraw/zinc/04/22/49/171042249.db2.gz	JCOIAFLAULFQJX-HNNXBMFYSA-N	0	3	261.369	2.191	10	30		CEEEHN
C#CCNC(=O)[C@H](C)NCCc1ccc(Cl)cc1Cl	ZINC000020364451	171162982	/nfs/dbraw/zinc/16/29/82/171162982.db2.gz	MKYNVTFLCLSCGH-JTQLQIEISA-N	0	3	299.201	2.263	10	30		CEEEHN
CC(C)[C@@H](NCC(=O)NCCC#N)c1cccs1	ZINC000027368526	171515489	/nfs/dbraw/zinc/51/54/89/171515489.db2.gz	FDNCYUQRVUJUDW-CYBMUJFWSA-N	0	3	265.382	2.065	10	30		CEEEHN
CC[C@H](C)NCC(=O)N(CCC#N)c1ccccc1	ZINC000037386988	173170815	/nfs/dbraw/zinc/17/08/15/173170815.db2.gz	MGGJQVRFGSVZIR-ZDUSSCGKSA-N	0	3	259.353	2.321	10	30		CEEEHN
CCN1CCC(N(C)C(=O)C2(C#N)CCCC2)CC1	ZINC000044767154	175249676	/nfs/dbraw/zinc/24/96/76/175249676.db2.gz	HZWQJBCKXNUJBL-UHFFFAOYSA-N	0	3	263.385	2.013	10	30		CEEEHN
CC(C)[C@H](CN(C)C)NC(=O)[C@@H](C#N)Cc1ccccc1	ZINC000044825398	175259298	/nfs/dbraw/zinc/25/92/98/175259298.db2.gz	KHOFDEDDUSOLFA-CVEARBPZSA-N	0	3	287.407	2.071	10	30		CEEEHN
COCCN(CC[C@@](C)(C#N)NC(C)C)CC(C)C	ZINC000045182037	175325593	/nfs/dbraw/zinc/32/55/93/175325593.db2.gz	WKUVXRVZEAKFHH-HNNXBMFYSA-N	0	3	269.433	2.261	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)c2cccc(F)c2)c1	ZINC000071322560	176122867	/nfs/dbraw/zinc/12/28/67/176122867.db2.gz	GNXOAOQNCGFPSR-UHFFFAOYSA-N	0	3	288.347	2.127	10	30		CEEEHN
CC(C)(C)SCC(=O)NCc1ccc(C#CCN)s1	ZINC000071322926	176123364	/nfs/dbraw/zinc/12/33/64/176123364.db2.gz	USKXCQOVUPBENS-UHFFFAOYSA-N	0	3	296.461	2.206	10	30		CEEEHN
Cc1ccsc1C(=O)NCc1ccc(C#CCN)s1	ZINC000071322968	176123631	/nfs/dbraw/zinc/12/36/31/176123631.db2.gz	NORZCSBTTAYEFT-UHFFFAOYSA-N	0	3	290.413	2.358	10	30		CEEEHN
C[C@@H]1CN[C@@H](C)CN1c1cc(C#N)c2ccccc2n1	ZINC000086471054	274378232	/nfs/dbraw/zinc/37/82/32/274378232.db2.gz	MYVUAOFYEAIUDG-NWDGAFQWSA-N	0	3	266.348	2.293	10	30		CEEEHN
C=CCCCCCN1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000193336114	333248256	/nfs/dbraw/zinc/24/82/56/333248256.db2.gz	YTLOMTLZOSAOMW-LSDHHAIUSA-N	0	3	254.418	2.120	10	30		CEEEHN
CC(C)CN1CCN([C@@H](C)C[C@](C)(C#N)NC(C)C)CC1	ZINC000068615142	519727299	/nfs/dbraw/zinc/72/72/99/519727299.db2.gz	ATQFAWFTAOSBEJ-DLBZAZTESA-N	0	3	294.487	2.319	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616429	520102722	/nfs/dbraw/zinc/10/27/22/520102722.db2.gz	RKHMRZXMFOYYAC-HOCLYGCPSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@@H](C)N(C)CCc1ccncc1	ZINC000068611936	520225657	/nfs/dbraw/zinc/22/56/57/520225657.db2.gz	BFIOWRIEMPWZNG-ZBFHGGJFSA-N	0	3	274.412	2.226	10	30		CEEEHN
CCCCCC(=O)NCc1ccccc1C#CCN	ZINC000049586380	519933594	/nfs/dbraw/zinc/93/35/94/519933594.db2.gz	PLMIBPXSWXFKNB-UHFFFAOYSA-N	0	3	258.365	2.193	10	30		CEEEHN
CCN(C(=O)c1cncc(C#CCN)c1)c1ccccc1	ZINC000049629326	520116897	/nfs/dbraw/zinc/11/68/97/520116897.db2.gz	LXYOQPVGDFTSAX-UHFFFAOYSA-N	0	3	279.343	2.059	10	30		CEEEHN
CC[C@H](C)[C@@H](C)NC(=O)c1cc(F)ccc1C#CCN	ZINC000049105818	521817476	/nfs/dbraw/zinc/81/74/76/521817476.db2.gz	INEYBSSHSHRKFS-NWDGAFQWSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@H](C)[C@H](C)NC(=O)c1ccc(OC)c(C#CCN)c1	ZINC000049105859	521933824	/nfs/dbraw/zinc/93/38/24/521933824.db2.gz	ZKCVSHSRDGJKBJ-STQMWFEESA-N	0	3	288.391	2.170	10	30		CEEEHN
CN[C@H]1COc2cc(OCc3ccnc(C#N)c3)ccc21	ZINC000068750812	522507881	/nfs/dbraw/zinc/50/78/81/522507881.db2.gz	PFQVIBQFFIIEDD-HNNXBMFYSA-N	0	3	281.315	2.185	10	30		CEEEHN
COCC1CCN([C@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068616610	522937735	/nfs/dbraw/zinc/93/77/35/522937735.db2.gz	ZNXLDMQRQPGBNH-CJNGLKHVSA-N	0	3	279.428	2.158	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1)Cc1cccnc1	ZINC000049609284	523203910	/nfs/dbraw/zinc/20/39/10/523203910.db2.gz	XRMNFKAFURWCQX-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
CN(Cc1ccccc1C#CCCO)C[C@@H]1CCCO1	ZINC000049614098	523356820	/nfs/dbraw/zinc/35/68/20/523356820.db2.gz	UUVUKUXIHQMAKU-KRWDZBQOSA-N	0	3	273.376	2.031	10	30		CEEEHN
COc1ccc(C#CCN)cc1CN(C)Cc1ccco1	ZINC000049609118	523514292	/nfs/dbraw/zinc/51/42/92/523514292.db2.gz	FUYOSTBMSKLNTM-UHFFFAOYSA-N	0	3	284.359	2.230	10	30		CEEEHN
COc1ccc(C#CCN)cc1NC(=O)CCC(C)C	ZINC000049587314	523516346	/nfs/dbraw/zinc/51/63/46/523516346.db2.gz	XQFVJPYLQRIMQB-UHFFFAOYSA-N	0	3	274.364	2.380	10	30		CEEEHN
CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#CCN)cc1F	ZINC000049609838	523516741	/nfs/dbraw/zinc/51/67/41/523516741.db2.gz	UBSPZENYVWSQEJ-CZUORRHYSA-N	0	3	290.382	2.135	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1CCC[C@@H]1C	ZINC000049615236	523517523	/nfs/dbraw/zinc/51/75/23/523517523.db2.gz	HPRIGNRIMUQRML-ZDUSSCGKSA-N	0	3	259.349	2.023	10	30		CEEEHN
COc1ccc(COCc2ccco2)cc1C#CCN	ZINC000049610363	524118597	/nfs/dbraw/zinc/11/85/97/524118597.db2.gz	CNAAFFVTBBBZHG-UHFFFAOYSA-N	0	3	271.316	2.315	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C#CCN)[C@@H]1C	ZINC000050568524	524209412	/nfs/dbraw/zinc/20/94/12/524209412.db2.gz	WWRDVXWZVJPQEI-CHWSQXEVSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@H](NC(=O)c1ccoc1)c1ccc(C#CCN)cc1	ZINC000049586761	525255848	/nfs/dbraw/zinc/25/58/48/525255848.db2.gz	QBQQHGHDCCEDCC-LBPRGKRZSA-N	0	3	268.316	2.081	10	30		CEEEHN
Cc1nnc(SCc2cc(C#CCN)cs2)o1	ZINC000051038611	526386730	/nfs/dbraw/zinc/38/67/30/526386730.db2.gz	OCNSQILTGUWLKI-UHFFFAOYSA-N	0	3	265.363	2.042	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2ccc(Cl)o2)cc1	ZINC000049586246	527150397	/nfs/dbraw/zinc/15/03/97/527150397.db2.gz	IGQJZGMCHFZNFY-UHFFFAOYSA-N	0	3	288.734	2.173	10	30		CEEEHN
C#C[C@@H](N)c1ccc(F)cc1I	ZINC000236301645	344594719	/nfs/dbraw/zinc/59/47/19/344594719.db2.gz	DLRGHEPGKFNYLV-SECBINFHSA-N	0	3	275.064	2.063	10	30		CEEEHN
CC(C)[C@@H](CN(C)C)Nc1c(C#N)nnc2ccccc21	ZINC000085920276	179199591	/nfs/dbraw/zinc/19/95/91/179199591.db2.gz	AJFNIKKRNGUOPE-OAHLLOKOSA-N	0	3	283.379	2.500	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CCN)cc2)[C@@H]1C	ZINC000086081168	179227699	/nfs/dbraw/zinc/22/76/99/179227699.db2.gz	UOTHYVLJBKRWEI-XJKCOSOUSA-N	0	3	270.376	2.161	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2ccccc2C#CCN)[C@@H]1C	ZINC000086081126	179227555	/nfs/dbraw/zinc/22/75/55/179227555.db2.gz	UTDYKKDSNZYXRF-IOASZLSFSA-N	0	3	270.376	2.161	10	30		CEEEHN
CCN(C(=O)c1ccncc1C#CCN)c1ccccc1	ZINC000091460942	180161296	/nfs/dbraw/zinc/16/12/96/180161296.db2.gz	FIGLFDVZKVKCLU-UHFFFAOYSA-N	0	3	279.343	2.059	10	30		CEEEHN
Cc1ccc(C)c(NC(=O)c2ccncc2C#CCN)c1	ZINC000091461163	180161885	/nfs/dbraw/zinc/16/18/85/180161885.db2.gz	WVDOCDFJMVVPHT-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
CC[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1C#CCN	ZINC000091462165	180162257	/nfs/dbraw/zinc/16/22/57/180162257.db2.gz	AMFRPGZUGKMQIK-BBRMVZONSA-N	0	3	285.391	2.090	10	30		CEEEHN
CCC1(C)CCN(C(=O)c2ccncc2C#CCN)CC1	ZINC000091463104	180162690	/nfs/dbraw/zinc/16/26/90/180162690.db2.gz	WGDQPJSTAYVRBC-UHFFFAOYSA-N	0	3	285.391	2.044	10	30		CEEEHN
CCN(CC)C(=O)Nc1ccc(C#CCN)cc1F	ZINC000091962362	180293291	/nfs/dbraw/zinc/29/32/91/180293291.db2.gz	CYGGFTVSIGQIFG-UHFFFAOYSA-N	0	3	263.316	2.010	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)N2CCCCCC2)cc1	ZINC000091971824	180295726	/nfs/dbraw/zinc/29/57/26/180295726.db2.gz	XMMSXRMUZDMPRR-UHFFFAOYSA-N	0	3	271.364	2.405	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1cccc(Cl)c1	ZINC000105676611	186067970	/nfs/dbraw/zinc/06/79/70/186067970.db2.gz	LAVLZKWVVHIXAP-SNVBAGLBSA-N	0	3	252.745	2.293	10	30		CEEEHN
CC(C)c1nc2n(n1)C[C@H](NCc1ccc(C#N)cc1)CC2	ZINC000105873813	186081807	/nfs/dbraw/zinc/08/18/07/186081807.db2.gz	KECWIBVSFTVFJR-OAHLLOKOSA-N	0	3	295.390	2.378	10	30		CEEEHN
CN1CCN(Cc2ccc(C#CCCO)s2)CC1(C)C	ZINC000110734742	186318231	/nfs/dbraw/zinc/31/82/31/186318231.db2.gz	MJFSBDCFVWIRFD-UHFFFAOYSA-N	0	3	292.448	2.008	10	30		CEEEHN
N#Cc1c(CN2CCN3CCCC[C@@H]3C2)cn2ccccc12	ZINC000177767012	189067879	/nfs/dbraw/zinc/06/78/79/189067879.db2.gz	RNQZLSYXTKFGHR-MRXNPFEDSA-N	0	3	294.402	2.481	10	30		CEEEHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccncc1	ZINC000000162485	361137626	/nfs/dbraw/zinc/13/76/26/361137626.db2.gz	GHXANTSHQLCIAM-LBPRGKRZSA-N	0	3	276.299	2.458	10	30		CEEEHN
N#Cc1ccccc1OCCN1CCN2CCCC[C@@H]2C1	ZINC000093952696	364242648	/nfs/dbraw/zinc/24/26/48/364242648.db2.gz	PZWBVBCWCZGMAY-MRXNPFEDSA-N	0	3	285.391	2.107	10	30		CEEEHN
CCOC(=O)C(C#N)Cc1ccc2ccccc2n1	ZINC000098210184	364538194	/nfs/dbraw/zinc/53/81/94/364538194.db2.gz	NFLHYWLKGHHYQV-GFCCVEGCSA-N	0	3	254.289	2.480	10	30		CEEEHN
CN(C)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000171071311	367471158	/nfs/dbraw/zinc/47/11/58/367471158.db2.gz	NSDVDSMYGSKUBE-LBPRGKRZSA-N	0	3	292.770	2.379	10	30		CEEEHN
N#Cc1cccc(CN2CCN3CCCC[C@H]3C2)c1	ZINC000246218299	370929039	/nfs/dbraw/zinc/92/90/39/370929039.db2.gz	PYBZYGUIQGIDHZ-INIZCTEOSA-N	0	3	255.365	2.228	10	30		CEEEHN
N#Cc1cccnc1NC[C@H]1NCCc2ccccc21	ZINC000261816195	371742289	/nfs/dbraw/zinc/74/22/89/371742289.db2.gz	SUXIDKIWVRGCAP-OAHLLOKOSA-N	0	3	264.332	2.252	10	30		CEEEHN
CC(C)(C)[C@H](O)CNCc1ccc(C#N)cc1F	ZINC000269453457	372455101	/nfs/dbraw/zinc/45/51/01/372455101.db2.gz	WJIAAELQQWZHCB-CYBMUJFWSA-N	0	3	250.317	2.194	10	30		CEEEHN
O[C@@H]1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]2C1	ZINC000398746581	375353221	/nfs/dbraw/zinc/35/32/21/375353221.db2.gz	SMSCRGMXZMXYHX-GVDBMIGSSA-N	0	3	255.361	2.131	10	30		CEEEHN
C#CCOc1ccccc1CNC[C@@H](O)C(C)(C)C	ZINC000264864268	190139857	/nfs/dbraw/zinc/13/98/57/190139857.db2.gz	PPPXCJBUFXIEFY-OAHLLOKOSA-N	0	3	261.365	2.195	10	30		CEEEHN
CCC[C@@H](C(=O)NCc1ccc(C#N)cc1F)N(C)C	ZINC000178661573	395172669	/nfs/dbraw/zinc/17/26/69/395172669.db2.gz	AMTKZHOGXJDPHS-AWEZNQCLSA-N	0	3	277.343	2.044	10	30		CEEEHN
CN(C)CCN[C@@H](C#N)c1cccc(Br)c1	ZINC000020176175	171042376	/nfs/dbraw/zinc/04/23/76/171042376.db2.gz	ZUUJTSOIEQYUGT-LBPRGKRZSA-N	0	3	282.185	2.165	10	30		CEEEHN
COc1ccc(C)cc1C(C#N)C(=O)[C@@H]1CCCO1	ZINC000037345852	173143227	/nfs/dbraw/zinc/14/32/27/173143227.db2.gz	GGWQVGNFQCVFQB-OCCSQVGLSA-N	0	3	259.305	2.359	10	30		CEEEHN
CCOc1ccc(-c2nc(C#N)c(N3CCNCC3)o2)cc1	ZINC000040165748	174197590	/nfs/dbraw/zinc/19/75/90/174197590.db2.gz	NUKLCCFHTQGKMA-UHFFFAOYSA-N	0	3	298.346	2.022	10	30		CEEEHN
N#Cc1c(F)cccc1O[C@H](CN)c1ccncc1	ZINC000043356207	175023714	/nfs/dbraw/zinc/02/37/14/175023714.db2.gz	WLOKBMAXYJNZQM-CQSZACIVSA-N	0	3	257.268	2.171	10	30		CEEEHN
CC[C@H]1CO[C@@H](C)CN1Cc1sccc1C#CCN	ZINC000043683988	175092461	/nfs/dbraw/zinc/09/24/61/175092461.db2.gz	XOCYGZSFEBVBFR-JSGCOSHPSA-N	0	3	278.421	2.058	10	30		CEEEHN
NCC#Cc1ccsc1CN1CCO[C@@H]2CCCC[C@@H]21	ZINC000043684283	175093367	/nfs/dbraw/zinc/09/33/67/175093367.db2.gz	CTUATRNCSYGAEE-LSDHHAIUSA-N	0	3	290.432	2.202	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN(CC)C[C@@H]1CCCO1	ZINC000045182065	175325713	/nfs/dbraw/zinc/32/57/13/175325713.db2.gz	BBPGVGIYHGSTNQ-GJZGRUSLSA-N	0	3	267.417	2.159	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCCN1CCN(CC)CC1	ZINC000045306535	175356004	/nfs/dbraw/zinc/35/60/04/175356004.db2.gz	SBZTYLODVIAOPI-INIZCTEOSA-N	0	3	280.460	2.076	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCCN1CCN(C(C)C)CC1	ZINC000045311482	175356746	/nfs/dbraw/zinc/35/67/46/175356746.db2.gz	SCPIQNBUVCPIFY-INIZCTEOSA-N	0	3	280.460	2.073	10	30		CEEEHN
CC(C)CN(C)Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266790	176100665	/nfs/dbraw/zinc/10/06/65/176100665.db2.gz	OOJDAWRTCCMFNF-UHFFFAOYSA-N	0	3	253.321	2.008	10	30		CEEEHN
CN(C)c1cccc2c1C(=O)N(Cc1ccncc1)C2C#N	ZINC000071679306	176244339	/nfs/dbraw/zinc/24/43/39/176244339.db2.gz	CVTJJSNXTAKOON-OAHLLOKOSA-N	0	3	292.342	2.368	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(F)c1C#N	ZINC000188409742	262295083	/nfs/dbraw/zinc/29/50/83/262295083.db2.gz	NQFHVGGFGATCAP-GFCCVEGCSA-N	0	3	289.354	2.254	10	30		CEEEHN
C[C@@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)cn1	ZINC000252662429	274373369	/nfs/dbraw/zinc/37/33/69/274373369.db2.gz	YYLDDEPZVJGRAO-OCCSQVGLSA-N	0	3	256.353	2.016	10	30		CEEEHN
C#CCCCCNC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000159443171	275379125	/nfs/dbraw/zinc/37/91/25/275379125.db2.gz	FTDHVOUNPGYXOH-MRXNPFEDSA-N	0	3	287.407	2.392	10	30		CEEEHN
C=CCSCCNC(=O)N(C)C[C@H]1CCCN1CC	ZINC000177463342	329184291	/nfs/dbraw/zinc/18/42/91/329184291.db2.gz	KJQWHYYKIVKKFN-CYBMUJFWSA-N	0	3	285.457	2.031	10	30		CEEEHN
N#CCCC[C@@H](N)C(=O)NC1CCC(C(F)(F)F)CC1	ZINC000424058931	330218715	/nfs/dbraw/zinc/21/87/15/330218715.db2.gz	AEHYHRZLBMLSDM-VQXHTEKXSA-N	0	3	291.317	2.245	10	30		CEEEHN
CC#CCN1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000190352267	333206097	/nfs/dbraw/zinc/20/60/97/333206097.db2.gz	PHGHTEDGAISINA-UHFFFAOYSA-N	0	3	294.439	2.138	10	30		CEEEHN
C=C(Cl)COc1cc(CNC)ccc1[N+](=O)[O-]	ZINC000050516768	518651070	/nfs/dbraw/zinc/65/10/70/518651070.db2.gz	HGEMHXBUQYQGRY-UHFFFAOYSA-N	0	3	256.689	2.446	10	30		CEEEHN
CCN(Cc1cc(C#CCO)ccc1OC)C1CC1	ZINC000049617365	521286184	/nfs/dbraw/zinc/28/61/84/521286184.db2.gz	YPTZTRMKWXQJRC-UHFFFAOYSA-N	0	3	259.349	2.023	10	30		CEEEHN
CC[C@@H](C)N(C)Cc1cc(C#CCO)ccc1OC	ZINC000049617204	522064798	/nfs/dbraw/zinc/06/47/98/522064798.db2.gz	OINCHLIHSIJHSS-CYBMUJFWSA-N	0	3	261.365	2.269	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N1CCN(C(C)C)CC1	ZINC000068611644	520103931	/nfs/dbraw/zinc/10/39/31/520103931.db2.gz	RSJMPDMXUGOXDI-HOTGVXAUSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCN[C@](C)(C#N)CCCN1CCN([C@@H](C)CC)CC1	ZINC000055070127	520225222	/nfs/dbraw/zinc/22/52/22/520225222.db2.gz	WUKWMPFDRZWXCX-HOTGVXAUSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1ccc(C#CCN)s1	ZINC000050891007	521146574	/nfs/dbraw/zinc/14/65/74/521146574.db2.gz	PGZIHHZPEVOOCH-NSHDSACASA-N	0	3	264.394	2.367	10	30		CEEEHN
CC[C@H](C)[C@@H](C)NC(=O)c1cc(C#CCN)ccc1F	ZINC000049105830	521817978	/nfs/dbraw/zinc/81/79/78/521817978.db2.gz	KRKBSCSMANGXJV-NWDGAFQWSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@H](N)c1cccc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1	ZINC000063096536	522346399	/nfs/dbraw/zinc/34/63/99/522346399.db2.gz	VKRHZLMWMALUGX-FZMZJTMJSA-N	0	3	295.408	2.019	10	30		CEEEHN
CC[C@H](NC(=O)c1ccc(F)cc1C#CCN)C(C)C	ZINC000049148551	522534081	/nfs/dbraw/zinc/53/40/81/522534081.db2.gz	LDVACURKOQPFPA-HNNXBMFYSA-N	0	3	276.355	2.300	10	30		CEEEHN
COCCN([C@@H](C)COC)[C@@H](C)C[C@](C)(C#N)NC(C)C	ZINC000068613330	523781271	/nfs/dbraw/zinc/78/12/71/523781271.db2.gz	LTHRHWCBVWYTQT-HRCADAONSA-N	0	3	299.459	2.029	10	30		CEEEHN
C[C@H]1C[C@@H]1C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691998	524838958	/nfs/dbraw/zinc/83/89/58/524838958.db2.gz	BMNSUOAGZKCHQG-ONGXEEELSA-N	0	3	262.740	2.245	10	30		CEEEHN
Cc1ccc(NC(=O)c2cncc(C#CCN)c2)cc1C	ZINC000049629327	525253484	/nfs/dbraw/zinc/25/34/84/525253484.db2.gz	YJXRRXIYWRZHIT-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
C[C@@H]1C[C@@H]1C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691997	525305486	/nfs/dbraw/zinc/30/54/86/525305486.db2.gz	BMNSUOAGZKCHQG-KOLCDFICSA-N	0	3	262.740	2.245	10	30		CEEEHN
C[C@@H]1C[C@H]1C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691999	525478522	/nfs/dbraw/zinc/47/85/22/525478522.db2.gz	BMNSUOAGZKCHQG-MWLCHTKSSA-N	0	3	262.740	2.245	10	30		CEEEHN
C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCCO1	ZINC000183087292	525591990	/nfs/dbraw/zinc/59/19/90/525591990.db2.gz	HEUBZYGQGDSFQL-XUJVJEKNSA-N	0	3	287.363	2.042	10	30		CEEEHN
Cc1ccoc1C(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049586942	525775824	/nfs/dbraw/zinc/77/58/24/525775824.db2.gz	HPXDEFKZACXZMW-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
N#Cc1cccc(CN2CCC[C@@H]2CCCO)c1F	ZINC000223529262	526703354	/nfs/dbraw/zinc/70/33/54/526703354.db2.gz	KZQKZMIMIPJWFS-CQSZACIVSA-N	0	3	262.328	2.434	10	30		CEEEHN
NCC#Cc1ccc(CSc2ncccn2)c(F)c1	ZINC000049611450	527149807	/nfs/dbraw/zinc/14/98/07/527149807.db2.gz	ZIJZDOSQGZKLOW-UHFFFAOYSA-N	0	3	273.336	2.218	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)c2ccncc2)c1	ZINC000061691979	527150461	/nfs/dbraw/zinc/15/04/61/527150461.db2.gz	MUOMIXQQDGALSE-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)/C=C\c2ccccc2C#N)C1	ZINC000255440986	624263171	/nfs/dbraw/zinc/26/31/71/624263171.db2.gz	RLRPMHRAXSECSL-ZBTGYSDGSA-N	0	3	283.375	2.172	10	30		CEEEHN
CC(=O)O[C@@]1(C#Cc2ccccc2)CCN(C)C[C@H]1C	ZINC000584636799	344971321	/nfs/dbraw/zinc/97/13/21/344971321.db2.gz	DYGLEMPSQGOBFF-PBHICJAKSA-N	0	3	271.360	2.312	10	30		CEEEHN
CC(C)(C#N)CCCN1CCN(c2ccc(N)cn2)CC1	ZINC000087599509	534983021	/nfs/dbraw/zinc/98/30/21/534983021.db2.gz	DMLHBGKCZWWRMC-UHFFFAOYSA-N	0	3	287.411	2.116	10	30		CEEEHN
Cn1cc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cn1	ZINC000127417388	187304597	/nfs/dbraw/zinc/30/45/97/187304597.db2.gz	BHQOCBNQENRZNB-SJORKVTESA-N	0	3	296.374	2.162	10	30		CEEEHN
C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCC1	ZINC000594432803	345628385	/nfs/dbraw/zinc/62/83/85/345628385.db2.gz	BWKMLGCWRCLMCB-YPMHNXCESA-N	0	3	251.374	2.093	10	30		CEEEHN
Cn1ccnc1CCNC1CC(C#N)(c2ccccc2)C1	ZINC000086037422	179221366	/nfs/dbraw/zinc/22/13/66/179221366.db2.gz	OOELLWWRBGMNQF-UHFFFAOYSA-N	0	3	280.375	2.176	10	30		CEEEHN
CC[C@@H]1CN[C@@H](CC)CN1C(=O)C#Cc1ccccc1	ZINC000086447908	179295441	/nfs/dbraw/zinc/29/54/41/179295441.db2.gz	JCYPNOORVQDPLH-JKSUJKDBSA-N	0	3	270.376	2.027	10	30		CEEEHN
C[C@@H](CNc1c(C#N)nnc2ccccc21)N1CCCC1	ZINC000086485422	179301083	/nfs/dbraw/zinc/30/10/83/179301083.db2.gz	RYKOPDMVFRJLEL-LBPRGKRZSA-N	0	3	281.363	2.398	10	30		CEEEHN
COc1ccc(C#N)cc1CN1CCC[C@H]1CCCO	ZINC000130455124	365958786	/nfs/dbraw/zinc/95/87/86/365958786.db2.gz	RDDKXLANRZAJET-HNNXBMFYSA-N	0	3	274.364	2.304	10	30		CEEEHN
CCC1CCC(NC(=O)c2ccncc2C#CCN)CC1	ZINC000091462181	180162334	/nfs/dbraw/zinc/16/23/34/180162334.db2.gz	DWOYZDJTPDJNQQ-UHFFFAOYSA-N	0	3	285.391	2.090	10	30		CEEEHN
N#C[C@]1([C@]2(O)CCN(C3CC3)C2)CCCc2ccccc21	ZINC000091878847	180278966	/nfs/dbraw/zinc/27/89/66/180278966.db2.gz	LNEVBSZVCBXVQM-MSOLQXFVSA-N	0	3	282.387	2.383	10	30		CEEEHN
CC(C)C1CCC(C#N)([C@@]2(O)CCCNC2)CC1	ZINC000091879105	180279452	/nfs/dbraw/zinc/27/94/52/180279452.db2.gz	PGFVNYMIBDBTPX-YMAMQOFZSA-N	0	3	250.386	2.457	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1ccccc1Br	ZINC000105676539	186068250	/nfs/dbraw/zinc/06/82/50/186068250.db2.gz	PFPXPRHHZAKWMO-UHFFFAOYSA-N	0	3	297.196	2.183	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccccc1Br	ZINC000105856818	186079916	/nfs/dbraw/zinc/07/99/16/186079916.db2.gz	XERVMZGQRBQCRP-SNVBAGLBSA-N	0	3	297.196	2.402	10	30		CEEEHN
C#CCN1CCC(N[C@@H](C)c2c(C)noc2C)CC1	ZINC000092327408	180362962	/nfs/dbraw/zinc/36/29/62/180362962.db2.gz	KGHGKPDIFOVSFA-NSHDSACASA-N	0	3	261.369	2.040	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C	ZINC000092473764	180392936	/nfs/dbraw/zinc/39/29/36/180392936.db2.gz	JNKKRFNTIYVENY-QWHCGFSZSA-N	0	3	252.402	2.483	10	30		CEEEHN
C=CCNCC(=O)N(Cc1ccc(C)o1)C(C)C	ZINC000092474870	180393997	/nfs/dbraw/zinc/39/39/97/180393997.db2.gz	KVMBVFWUACEGGH-UHFFFAOYSA-N	0	3	250.342	2.101	10	30		CEEEHN
CCC[C@@H](C#N)C(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000110250480	186288328	/nfs/dbraw/zinc/28/83/28/186288328.db2.gz	AVWLBEUNJQDURO-KBPBESRZSA-N	0	3	263.385	2.013	10	30		CEEEHN
CN1CCN(CCCOc2ccccc2C#N)CC1(C)C	ZINC000110719251	186316132	/nfs/dbraw/zinc/31/61/32/186316132.db2.gz	CRADAWKSEYUXME-UHFFFAOYSA-N	0	3	287.407	2.353	10	30		CEEEHN
CC(=O)c1ccc(C#N)cc1N1CCN2CCC[C@@H]2C1	ZINC000131314206	366042153	/nfs/dbraw/zinc/04/21/53/366042153.db2.gz	QFDZSYGQQQBGCJ-CQSZACIVSA-N	0	3	269.348	2.045	10	30		CEEEHN
CC#CCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000157627292	260849868	/nfs/dbraw/zinc/84/98/68/260849868.db2.gz	NIFDEKIMDQVDLN-GFCCVEGCSA-N	0	3	265.378	2.154	10	30		CEEEHN
C=CCOCCCC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000173142888	367872926	/nfs/dbraw/zinc/87/29/26/367872926.db2.gz	QTWCIERXSVVEMC-MRXNPFEDSA-N	0	3	290.407	2.388	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(CC#N)c1	ZINC000177012894	368258190	/nfs/dbraw/zinc/25/81/90/368258190.db2.gz	CQQZKOORLWXVDW-MRXNPFEDSA-N	0	3	285.391	2.309	10	30		CEEEHN
C[C@@H]1CC(CNCc2nc(C#N)cs2)C[C@@H](C)O1	ZINC000352893376	369936953	/nfs/dbraw/zinc/93/69/53/369936953.db2.gz	LNKOXSNXMMRFNK-NXEZZACHSA-N	0	3	265.382	2.308	10	30		CEEEHN
N#CCC[C@H](C#N)CN1CCC(c2ccn[nH]2)CC1	ZINC000195512806	370135364	/nfs/dbraw/zinc/13/53/64/370135364.db2.gz	JGCMVYSZKIJOAC-GFCCVEGCSA-N	0	3	257.341	2.033	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000249123735	371297300	/nfs/dbraw/zinc/29/73/00/371297300.db2.gz	IFCBUVYSXAREGP-QAPCUYQASA-N	0	3	299.418	2.019	10	30		CEEEHN
CC(C)[C@@H](C)CNC(=O)c1cc(F)ccc1C#CCN	ZINC000081109427	177771015	/nfs/dbraw/zinc/77/10/15/177771015.db2.gz	RHWMRUCADXXTNO-LBPRGKRZSA-N	0	3	276.355	2.158	10	30		CEEEHN
COC[C@H](C)CC(=O)Nc1ccc(Cl)c(C#CCN)c1	ZINC000095037565	184920566	/nfs/dbraw/zinc/92/05/66/184920566.db2.gz	UNXDILXXHZZRPP-LLVKDONJSA-N	0	3	294.782	2.261	10	30		CEEEHN
C=CCN(Cc1cccs1)C(=O)[C@H](N)CCC	ZINC000236899575	394488890	/nfs/dbraw/zinc/48/88/90/394488890.db2.gz	BOFQGDJFSCTSFD-GFCCVEGCSA-N	0	3	252.383	2.390	10	30		CEEEHN
N#Cc1nc(-c2ccccc2Cl)oc1N1CCNCC1	ZINC000040165757	174197693	/nfs/dbraw/zinc/19/76/93/174197693.db2.gz	MGDDKBYGKVWKFW-UHFFFAOYSA-N	0	3	288.738	2.276	10	30		CEEEHN
C=CCNC(=O)[C@H](C)NCc1cc2c(s1)CCC2	ZINC000040627570	174356896	/nfs/dbraw/zinc/35/68/96/174356896.db2.gz	RQXQSCMKURYBMS-JTQLQIEISA-N	0	3	264.394	2.017	10	30		CEEEHN
C[C@@H](N)[C@H](c1ccc(Cl)s1)N(CC#N)CC#N	ZINC000043252104	174994338	/nfs/dbraw/zinc/99/43/38/174994338.db2.gz	SFURFCQJKRHACG-LDYMZIIASA-N	0	3	268.773	2.139	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@H](CN)c1ccco1	ZINC000043336660	175012574	/nfs/dbraw/zinc/01/25/74/175012574.db2.gz	JKNNDIVHKVIRKM-CQSZACIVSA-N	0	3	258.277	2.239	10	30		CEEEHN
CN(C)CCN[C@@H](C#N)c1ccc(Cl)c(F)c1	ZINC000043390776	175033940	/nfs/dbraw/zinc/03/39/40/175033940.db2.gz	KMOMTUHKBGNUNZ-LBPRGKRZSA-N	0	3	255.724	2.195	10	30		CEEEHN
CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C#CCN)s1	ZINC000043683980	175092455	/nfs/dbraw/zinc/09/24/55/175092455.db2.gz	IEEANJQYYGGUBS-STQMWFEESA-N	0	3	278.421	2.058	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCc1ccco1	ZINC000044808739	175257661	/nfs/dbraw/zinc/25/76/61/175257661.db2.gz	KETSNKNCDLVNFY-CYBMUJFWSA-N	0	3	254.289	2.278	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1cc(C#CCN)ccc1F	ZINC000045091837	175305840	/nfs/dbraw/zinc/30/58/40/175305840.db2.gz	DFNSFNSEWOSRGS-UHFFFAOYSA-N	0	3	276.355	2.254	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2ccc(Cl)o2)s1	ZINC000071322853	176123204	/nfs/dbraw/zinc/12/32/04/176123204.db2.gz	HDTQOEXYYRBCNB-UHFFFAOYSA-N	0	3	294.763	2.235	10	30		CEEEHN
CCC(CC)C(=O)NCc1ccc(C#CCN)s1	ZINC000071322962	176123399	/nfs/dbraw/zinc/12/33/99/176123399.db2.gz	GZBBLTZVKCOSBO-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000096537355	274374521	/nfs/dbraw/zinc/37/45/21/274374521.db2.gz	OYDCXCHXAJWDBL-BXUZGUMPSA-N	0	3	286.335	2.139	10	30		CEEEHN
CCn1cnnc1[C@H]1CCCN(CCCSCC#N)C1	ZINC000173877859	329153454	/nfs/dbraw/zinc/15/34/54/329153454.db2.gz	NEBYWTLTOLFRJN-ZDUSSCGKSA-N	0	3	293.440	2.124	10	30		CEEEHN
C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CCCN1CC	ZINC000177703707	329189449	/nfs/dbraw/zinc/18/94/49/329189449.db2.gz	UYUATFTVFYXVOS-HOTGVXAUSA-N	0	3	295.471	2.216	10	30		CEEEHN
Cc1ccccc1[C@H](C)NC(=O)[C@H](N)CCCC#N	ZINC000424071255	330220053	/nfs/dbraw/zinc/22/00/53/330220053.db2.gz	ZANWHDITNKZRDT-GXTWGEPZSA-N	0	3	259.353	2.193	10	30		CEEEHN
C#CCCOc1c(CNCCOC)cccc1OCC	ZINC000062732786	518251437	/nfs/dbraw/zinc/25/14/37/518251437.db2.gz	PWJSDXPXCYKVIP-UHFFFAOYSA-N	0	3	277.364	2.223	10	30		CEEEHN
C=C[C@@H](C)Oc1cc(CNCCOC)ccc1OC	ZINC000062732643	519292952	/nfs/dbraw/zinc/29/29/52/519292952.db2.gz	CHDATXWMHOIHOK-GFCCVEGCSA-N	0	3	265.353	2.385	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N(CCCOC)CCOC	ZINC000068612867	520032220	/nfs/dbraw/zinc/03/22/20/520032220.db2.gz	PKDPZKOXSBVOII-HZPDHXFCSA-N	0	3	299.459	2.032	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCN1CCN([C@@H](C)CC)CC1	ZINC000055070133	520127844	/nfs/dbraw/zinc/12/78/44/520127844.db2.gz	WUKWMPFDRZWXCX-JKSUJKDBSA-N	0	3	280.460	2.074	10	30		CEEEHN
CC(C)(C)CC(=O)NCc1ccc(C#CCN)cc1	ZINC000049586319	518623877	/nfs/dbraw/zinc/62/38/77/518623877.db2.gz	WHTLQMJQEQOIAW-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CC(C)c1nccn1CCOc1cccc(C#CCN)c1	ZINC000049610134	519879465	/nfs/dbraw/zinc/87/94/65/519879465.db2.gz	OEDWFUNKGBXQKU-UHFFFAOYSA-N	0	3	283.375	2.396	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1F)C[C@H]1CCCCO1	ZINC000049609526	523203134	/nfs/dbraw/zinc/20/31/34/523203134.db2.gz	HUAQZFXPRJFDAK-MRXNPFEDSA-N	0	3	290.382	2.137	10	30		CEEEHN
CC[C@@H]1CCCN1Cc1cc(C#CCO)ccc1OC	ZINC000049615141	523269030	/nfs/dbraw/zinc/26/90/30/523269030.db2.gz	FWDRSUAHZVOMFE-MRXNPFEDSA-N	0	3	273.376	2.413	10	30		CEEEHN
CN(Cc1ccccc1C#CCN)C(=O)C1CCCC1	ZINC000049586835	523357535	/nfs/dbraw/zinc/35/75/35/523357535.db2.gz	PAYYIWWCFVDNJZ-UHFFFAOYSA-N	0	3	270.376	2.145	10	30		CEEEHN
COc1ccc(C#CCCO)cc1CN1CCCC1	ZINC000049615574	523510990	/nfs/dbraw/zinc/51/09/90/523510990.db2.gz	ALTYOVRCVKDWRE-UHFFFAOYSA-N	0	3	259.349	2.025	10	30		CEEEHN
COCCNCc1cc(Cl)ccc1O[C@H](C)C#N	ZINC000062731117	523949173	/nfs/dbraw/zinc/94/91/73/523949173.db2.gz	XNTWLZOWBKJAEC-SNVBAGLBSA-N	0	3	268.744	2.367	10	30		CEEEHN
COCCNCc1cccc(Br)c1OCC#N	ZINC000062733797	523954910	/nfs/dbraw/zinc/95/49/10/523954910.db2.gz	QBMPGSVUJYVHHR-UHFFFAOYSA-N	0	3	299.168	2.087	10	30		CEEEHN
C[C@H]1C[C@H]1C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061692000	524949343	/nfs/dbraw/zinc/94/93/43/524949343.db2.gz	BMNSUOAGZKCHQG-GXSJLCMTSA-N	0	3	262.740	2.245	10	30		CEEEHN
C[C@@H](NC(=O)Cc1ccsc1)c1cccc(C#CCN)c1	ZINC000049587099	525140573	/nfs/dbraw/zinc/14/05/73/525140573.db2.gz	ASBWSZYOZQGISB-CYBMUJFWSA-N	0	3	298.411	2.478	10	30		CEEEHN
C[C@@H](NC(=O)NC(C)(C)C)c1ccc(C#CCN)cc1	ZINC000049587417	525186680	/nfs/dbraw/zinc/18/66/80/525186680.db2.gz	NKNJUWMQOHCRFH-GFCCVEGCSA-N	0	3	273.380	2.156	10	30		CEEEHN
C[C@@H](NC(=O)c1ccccc1)c1ccc(C#CCN)cc1	ZINC000049586721	525350383	/nfs/dbraw/zinc/35/03/83/525350383.db2.gz	UWYKZMNWQHWXMX-CQSZACIVSA-N	0	3	278.355	2.488	10	30		CEEEHN
C[C@@H](NC(=O)c1cncc(C#CCN)c1)C1CCCCC1	ZINC000052344714	525373046	/nfs/dbraw/zinc/37/30/46/525373046.db2.gz	PJPOGLFXSKDOAL-CYBMUJFWSA-N	0	3	285.391	2.090	10	30		CEEEHN
Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#CCN)c2)o1	ZINC000049587102	526195026	/nfs/dbraw/zinc/19/50/26/526195026.db2.gz	RDFALDSWZFEPCM-ZDUSSCGKSA-N	0	3	282.343	2.389	10	30		CEEEHN
N#CCCCCN1CCN(c2ccccc2N)CC1	ZINC000049578679	526444930	/nfs/dbraw/zinc/44/49/30/526444930.db2.gz	GBWHBNVUMZRHGL-UHFFFAOYSA-N	0	3	258.369	2.085	10	30		CEEEHN
NCC#Cc1ccc(COC[C@H]2CCCCO2)cc1	ZINC000049610755	527150140	/nfs/dbraw/zinc/15/01/40/527150140.db2.gz	STSRHHNVNLGEIB-MRXNPFEDSA-N	0	3	259.349	2.083	10	30		CEEEHN
NCC#Cc1ccc(COC[C@@H]2CCCCO2)c(F)c1	ZINC000049610762	527150580	/nfs/dbraw/zinc/15/05/80/527150580.db2.gz	JHQDXWBAYGQOQS-HNNXBMFYSA-N	0	3	277.339	2.222	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)C2CCCCC2)c1	ZINC000049586514	527151561	/nfs/dbraw/zinc/15/15/61/527151561.db2.gz	GJJBFSUIEOKZSA-UHFFFAOYSA-N	0	3	270.376	2.193	10	30		CEEEHN
C=C[C@H](N)c1ccc(I)cc1	ZINC000095760648	185026253	/nfs/dbraw/zinc/02/62/53/185026253.db2.gz	DAYIYYVPTQAVGB-VIFPVBQESA-N	0	3	259.090	2.477	10	30		CEEEHN
COCCCSCc1ccc(C#CCN)s1	ZINC000082630023	178141221	/nfs/dbraw/zinc/14/12/21/178141221.db2.gz	BPQRJUWVVBNYKC-UHFFFAOYSA-N	0	3	255.408	2.328	10	30		CEEEHN
C#CCOc1c(Cl)cc(CNCCOC)cc1OC	ZINC000045945882	362171351	/nfs/dbraw/zinc/17/13/51/362171351.db2.gz	DQRVZFBCSRMKBI-UHFFFAOYSA-N	0	3	283.755	2.097	10	30		CEEEHN
C#CCOc1c(Cl)cc(CNC)cc1OCC	ZINC000045945720	362171627	/nfs/dbraw/zinc/17/16/27/362171627.db2.gz	PNXXLHBBBYQPSC-UHFFFAOYSA-N	0	3	253.729	2.470	10	30		CEEEHN
C#C[C@H](NC)c1ccc(I)cc1	ZINC000130151126	344350664	/nfs/dbraw/zinc/35/06/64/344350664.db2.gz	ZMUYCOTZOSITNZ-JTQLQIEISA-N	0	3	271.101	2.185	10	30		CEEEHN
C=CCOc1ccc(CNC[C@@H]2CN(CC)CCO2)cc1	ZINC000134439703	344374313	/nfs/dbraw/zinc/37/43/13/344374313.db2.gz	JISDNBQXCMXUJQ-QGZVFWFLSA-N	0	3	290.407	2.062	10	30		CEEEHN
C=CCOc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1	ZINC000170867347	344492002	/nfs/dbraw/zinc/49/20/02/344492002.db2.gz	FHJFDVHGRPKWSH-CQSZACIVSA-N	0	3	274.364	2.028	10	30		CEEEHN
CCC[C@@H]1C[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000233306319	344580927	/nfs/dbraw/zinc/58/09/27/344580927.db2.gz	TZGJBBXLYPKZLJ-UKRRQHHQSA-N	0	3	292.404	2.110	10	30		CEEEHN
CCC[C@H]1C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000233400735	344581506	/nfs/dbraw/zinc/58/15/06/344581506.db2.gz	LCXHDMYUCXGAFO-DZGCQCFKSA-N	0	3	292.404	2.110	10	30		CEEEHN
Cc1ccccc1NC(=NC#N)N1CCNC[C@@H]1C(C)C	ZINC000584620662	344967207	/nfs/dbraw/zinc/96/72/07/344967207.db2.gz	QODQPVSVQSPAML-OAHLLOKOSA-N	0	3	285.395	2.174	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@@H](C)N1CCC(OCC)CC1	ZINC000084293050	178845160	/nfs/dbraw/zinc/84/51/60/178845160.db2.gz	MPDVUSYVKOVARG-UKRRQHHQSA-N	0	3	267.417	2.158	10	30		CEEEHN
C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccs1	ZINC000594426978	345626402	/nfs/dbraw/zinc/62/64/02/345626402.db2.gz	UDZADFUZMBVFKW-QWRGUYRKSA-N	0	3	265.382	2.337	10	30		CEEEHN
COC[C@H](NC(=O)C(C#N)Cc1ccccc1)C(C)C	ZINC000086700784	179321275	/nfs/dbraw/zinc/32/12/75/179321275.db2.gz	OTJRJVQGHYWUJJ-CABCVRRESA-N	0	3	274.364	2.156	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1	ZINC000092474599	180394233	/nfs/dbraw/zinc/39/42/33/180394233.db2.gz	SKFBZNZMLRTJPT-JTQLQIEISA-N	0	3	268.307	2.260	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(C#CCN)s2)CC1	ZINC000110817736	186327505	/nfs/dbraw/zinc/32/75/05/186327505.db2.gz	XGIYXHUXCLMIKE-LBPRGKRZSA-N	0	3	276.405	2.321	10	30		CEEEHN
COc1ccc(C#CCN)cc1CSc1ccncn1	ZINC000111114955	186353892	/nfs/dbraw/zinc/35/38/92/186353892.db2.gz	ZSBBOZMIYHHFOL-UHFFFAOYSA-N	0	3	285.372	2.088	10	30		CEEEHN
N#CCSCCCN1CC[C@H](Oc2cccnc2)C1	ZINC000152277578	260640522	/nfs/dbraw/zinc/64/05/22/260640522.db2.gz	IXUWWOTUJHVXPQ-AWEZNQCLSA-N	0	3	277.393	2.182	10	30		CEEEHN
Cn1cc([C@@H]2CCN(Cc3cccc(C#N)c3)C2)cn1	ZINC000116313328	365049386	/nfs/dbraw/zinc/04/93/86/365049386.db2.gz	LHZHNDDIXQDQCR-OAHLLOKOSA-N	0	3	266.348	2.281	10	30		CEEEHN
CCOCCN1CCN(CC(C)(C)CCC#N)C[C@H]1C	ZINC000245734479	370867016	/nfs/dbraw/zinc/86/70/16/370867016.db2.gz	KKVBEPRKYKOMEQ-OAHLLOKOSA-N	0	3	281.444	2.359	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2C)C1	ZINC000178554378	368303366	/nfs/dbraw/zinc/30/33/66/368303366.db2.gz	RPZWNDZIEGHRPY-CQSZACIVSA-N	0	3	286.379	2.473	10	30		CEEEHN
CC#CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000248628185	371226306	/nfs/dbraw/zinc/22/63/06/371226306.db2.gz	VPXVKPASYCTIFE-MELADBBJSA-N	0	3	278.396	2.245	10	30		CEEEHN
NCC#Cc1cc(C(=O)N2CCCCCC2)cs1	ZINC000093975590	184747383	/nfs/dbraw/zinc/74/73/83/184747383.db2.gz	LRWCAIRADFRPSD-UHFFFAOYSA-N	0	3	262.378	2.075	10	30		CEEEHN
C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)N1	ZINC000094336446	135086587	/nfs/dbraw/zinc/08/65/87/135086587.db2.gz	KZLWRAFEWYUUDS-IUCAKERBSA-N	0	3	284.285	2.159	10	30		CEEEHN
N#Cc1cnc2ccccc2c1N1CCN2CCC[C@H]2C1	ZINC000246998702	394524865	/nfs/dbraw/zinc/52/48/65/394524865.db2.gz	NTHJACGEFARTGW-AWEZNQCLSA-N	0	3	278.359	2.391	10	30		CEEEHN
CCC#CCN1CCC[C@@]2(CCC(=O)N(CC)C2)C1	ZINC000091655876	394658193	/nfs/dbraw/zinc/65/81/93/394658193.db2.gz	VOTCORJMVZRSKB-MRXNPFEDSA-N	0	3	262.397	2.124	10	30		CEEEHN
CCOCCN1CCN(CCCCC#N)C[C@H]1CC	ZINC000105838579	394722903	/nfs/dbraw/zinc/72/29/03/394722903.db2.gz	IMIFOLYAQSYJDA-OAHLLOKOSA-N	0	3	267.417	2.113	10	30		CEEEHN
CN(C)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1	ZINC000359669638	394769850	/nfs/dbraw/zinc/76/98/50/394769850.db2.gz	GCQRTUASIOVTPV-GJZGRUSLSA-N	0	3	271.364	2.170	10	30		CEEEHN
N#Cc1ccccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]21	ZINC000533540460	395462595	/nfs/dbraw/zinc/46/25/95/395462595.db2.gz	SDVNPVVLRDZNCO-ZFWWWQNUSA-N	0	3	269.348	2.371	10	30		CEEEHN
Cc1cc(C)nc(NC(=N)NCCc2ccc(F)cc2)n1	ZINC000020353379	171156945	/nfs/dbraw/zinc/15/69/45/171156945.db2.gz	WVEVLFXVDABWEE-UHFFFAOYSA-N	0	3	287.342	2.011	10	30		CEEEHN
CN(CCC#N)C(=O)CN1CCC[C@@H]2CCCC[C@@H]21	ZINC000035174436	172027652	/nfs/dbraw/zinc/02/76/52/172027652.db2.gz	NFSFYRRRFMJFJX-KBPBESRZSA-N	0	3	263.385	2.013	10	30		CEEEHN
C[C@H](C1CC1)N(C)CC(=O)Nc1ccccc1C#N	ZINC000035207504	172051541	/nfs/dbraw/zinc/05/15/41/172051541.db2.gz	XCMKNOWHWVFKSG-LLVKDONJSA-N	0	3	257.337	2.227	10	30		CEEEHN
N#Cc1c(NC(=O)C2CCC2)sc2c1CCNC2	ZINC000035248165	172078711	/nfs/dbraw/zinc/07/87/11/172078711.db2.gz	CMXLUMJQMVPRJG-UHFFFAOYSA-N	0	3	261.350	2.004	10	30		CEEEHN
N#CC(C(=O)c1ccco1)c1ccc2c(c1)OCO2	ZINC000037347460	173143671	/nfs/dbraw/zinc/14/36/71/173143671.db2.gz	SECBKGXNXIFKQO-SNVBAGLBSA-N	0	3	255.229	2.498	10	30		CEEEHN
CN(CCC#N)[C@H](CN)c1ccc(Br)s1	ZINC000043259237	174995367	/nfs/dbraw/zinc/99/53/67/174995367.db2.gz	IWQAZXACRFGGRG-MRVPVSSYSA-N	0	3	288.214	2.356	10	30		CEEEHN
CCN1CCC(N(C)c2nc3c(cc2C#N)CCC3)CC1	ZINC000043407201	175037242	/nfs/dbraw/zinc/03/72/42/175037242.db2.gz	MTRKNJHITBYPAG-UHFFFAOYSA-N	0	3	284.407	2.362	10	30		CEEEHN
CC(C)c1nccn1Cc1ccc(C#CCN)s1	ZINC000043684366	175092652	/nfs/dbraw/zinc/09/26/52/175092652.db2.gz	FWGAIBPTCPVEMM-UHFFFAOYSA-N	0	3	259.378	2.427	10	30		CEEEHN
NCC#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)s1	ZINC000043684279	175093186	/nfs/dbraw/zinc/09/31/86/175093186.db2.gz	CTFOBZLMJTTZCV-HOTGVXAUSA-N	0	3	290.432	2.202	10	30		CEEEHN
Cn1ccnc1SCc1sccc1C#CCN	ZINC000043685518	175094040	/nfs/dbraw/zinc/09/40/40/175094040.db2.gz	IKDKUSZPWYOKJH-UHFFFAOYSA-N	0	3	263.391	2.084	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)Cc1cccnc1	ZINC000043688928	175095275	/nfs/dbraw/zinc/09/52/75/175095275.db2.gz	NMZJEVDNHVVNGO-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
CC(C)[C@H](CN(C)C)NC(=O)C1(C#N)CCCCC1	ZINC000044766577	175249372	/nfs/dbraw/zinc/24/93/72/175249372.db2.gz	SXGFANIOSBXMOU-ZDUSSCGKSA-N	0	3	265.401	2.163	10	30		CEEEHN
COCCN(CC(C)C)C(=O)C(C#N)Cc1ccccc1	ZINC000044826208	175259247	/nfs/dbraw/zinc/25/92/47/175259247.db2.gz	UIICNSQMLPGEOW-INIZCTEOSA-N	0	3	288.391	2.500	10	30		CEEEHN
CCO[C@@H]1CCCN(C(=O)C(C#N)Cc2ccccc2)C1	ZINC000044826375	175259659	/nfs/dbraw/zinc/25/96/59/175259659.db2.gz	RXBPOYVAHRDLDQ-JKSUJKDBSA-N	0	3	286.375	2.396	10	30		CEEEHN
CCN(C(=O)C(C#N)Cc1ccccc1)[C@@H](C)COC	ZINC000044827459	175259926	/nfs/dbraw/zinc/25/99/26/175259926.db2.gz	DTYGTXSIZZTQLF-ZFWWWQNUSA-N	0	3	274.364	2.252	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN(CCOC)CC(C)C	ZINC000045182033	175325282	/nfs/dbraw/zinc/32/52/82/175325282.db2.gz	UDHFZCCZIRJPIY-HNNXBMFYSA-N	0	3	269.433	2.263	10	30		CEEEHN
CCCO[C@@H]1CCCN(CC[C@@](C)(C#N)NCC)C1	ZINC000045183283	175325319	/nfs/dbraw/zinc/32/53/19/175325319.db2.gz	QLXCPTBUDBMAIX-CABCVRRESA-N	0	3	267.417	2.159	10	30		CEEEHN
C[C@](N)(C#N)CCCCN1CCc2ccccc2C1	ZINC000045307620	175355980	/nfs/dbraw/zinc/35/59/80/175355980.db2.gz	APVGOMHBQJOZBU-MRXNPFEDSA-N	0	3	257.381	2.456	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCN1CCN(C(C)C)CC1	ZINC000045311480	175356150	/nfs/dbraw/zinc/35/61/50/175356150.db2.gz	DGVPHMHVVGFVFJ-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
NCC#Cc1cncc(OCc2ccc3c(c2)CCC3)c1	ZINC000070501533	175958849	/nfs/dbraw/zinc/95/88/49/175958849.db2.gz	KEGFITWCJHZQBW-UHFFFAOYSA-N	0	3	278.355	2.460	10	30		CEEEHN
N#Cc1ccc(N2CC[C@H](NC3CC3)C2=O)cc1Cl	ZINC000071039537	176027315	/nfs/dbraw/zinc/02/73/15/176027315.db2.gz	ZBVBFWJDGHNMKF-ZDUSSCGKSA-N	0	3	275.739	2.069	10	30		CEEEHN
Cc1ccsc1C(=O)NCc1cc(C#CCN)cs1	ZINC000071322571	176122848	/nfs/dbraw/zinc/12/28/48/176122848.db2.gz	JQJMASBEQNUBEB-UHFFFAOYSA-N	0	3	290.413	2.358	10	30		CEEEHN
CCC(C)(C)C(=O)NCc1cc(C#CCN)cs1	ZINC000071322368	176122909	/nfs/dbraw/zinc/12/29/09/176122909.db2.gz	YRRLTRAJEXFUEB-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
C=CC[C@H](C)NC(=O)N(C)C[C@@H]1CCCN1CC	ZINC000177521059	329185337	/nfs/dbraw/zinc/18/53/37/329185337.db2.gz	SVBQNBMELNJIMF-STQMWFEESA-N	0	3	253.390	2.077	10	30		CEEEHN
C=CCC[C@@H](CC)[NH2+]C1CC(N(CC)CC(=O)[O-])C1	ZINC000263475519	330057165	/nfs/dbraw/zinc/05/71/65/330057165.db2.gz	FGAOUNBVPRQBQO-IYXRBSQSSA-N	0	3	268.401	2.258	10	30		CEEEHN
C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC(N(CC)CC(=O)[O-])C1	ZINC000263527179	330058876	/nfs/dbraw/zinc/05/88/76/330058876.db2.gz	UPFSWUMCZVRKDD-IWMBGFJWSA-N	0	3	268.401	2.114	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N(CCCOC)CCOC	ZINC000068612864	520103733	/nfs/dbraw/zinc/10/37/33/520103733.db2.gz	PKDPZKOXSBVOII-CVEARBPZSA-N	0	3	299.459	2.032	10	30		CEEEHN
CCCNC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061692075	519886600	/nfs/dbraw/zinc/88/66/00/519886600.db2.gz	MBPHTAIBCJCNDY-UHFFFAOYSA-N	0	3	265.744	2.182	10	30		CEEEHN
CCCN[C@H](C#N)CCN1CCC[C@H](OCCC)C1	ZINC000062437888	520060604	/nfs/dbraw/zinc/06/06/04/520060604.db2.gz	ACTRNYVHOHSTAY-GJZGRUSLSA-N	0	3	267.417	2.159	10	30		CEEEHN
CCC[C@@H](C)C(=O)Nc1cc(C#CCN)ccc1OC	ZINC000049587323	520614796	/nfs/dbraw/zinc/61/47/96/520614796.db2.gz	PRCDZLLTNMSMJQ-GFCCVEGCSA-N	0	3	274.364	2.380	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCN)C[C@@H]1CCCCO1	ZINC000049609531	523254456	/nfs/dbraw/zinc/25/44/56/523254456.db2.gz	YHOUGSVCKXUZGZ-KRWDZBQOSA-N	0	3	290.382	2.137	10	30		CEEEHN
CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#CCN)cn2)C1	ZINC000068594054	523279677	/nfs/dbraw/zinc/27/96/77/523279677.db2.gz	ZTBBYTCGQXCFHH-UKRRQHHQSA-N	0	3	285.391	2.090	10	30		CEEEHN
COc1ccc(CN2CCC(C)CC2)cc1C#CCO	ZINC000049615542	524023569	/nfs/dbraw/zinc/02/35/69/524023569.db2.gz	DPJIXCFIDZVDQN-UHFFFAOYSA-N	0	3	273.376	2.271	10	30		CEEEHN
COc1cccc(C(C#N)C(=O)[C@@H]2CCCCO2)c1	ZINC000050963979	524138119	/nfs/dbraw/zinc/13/81/19/524138119.db2.gz	UZYYRPVHMOSHMY-KBPBESRZSA-N	0	3	259.305	2.441	10	30		CEEEHN
Cc1ccc(F)cc1C(=O)Nc1ncc(C#CCN)s1	ZINC000062666855	524851404	/nfs/dbraw/zinc/85/14/04/524851404.db2.gz	DJICYFMJQHHXDB-UHFFFAOYSA-N	0	3	289.335	2.153	10	30		CEEEHN
Cc1ccccc1C(=O)NCc1ccc(C#CCN)cc1	ZINC000049586290	525056983	/nfs/dbraw/zinc/05/69/83/525056983.db2.gz	ZRRYXFDIQCBNGK-UHFFFAOYSA-N	0	3	278.355	2.235	10	30		CEEEHN
Cc1ccc(OCc2ccnc(C#N)c2)c(CN)c1	ZINC000068750822	525445984	/nfs/dbraw/zinc/44/59/84/525445984.db2.gz	XTQOMGUFEBEVJJ-UHFFFAOYSA-N	0	3	253.305	2.299	10	30		CEEEHN
Cc1ccc(C(=O)N(C)Cc2cccc(C#CCN)c2)o1	ZINC000049586888	526061701	/nfs/dbraw/zinc/06/17/01/526061701.db2.gz	PQSVKPKBAVSQNL-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
N#CC(C(=O)[C@H]1CCOC1)c1cc(F)cc(F)c1	ZINC000049350512	526493163	/nfs/dbraw/zinc/49/31/63/526493163.db2.gz	LJBHLDMXDRQJJU-QPUJVOFHSA-N	0	3	251.232	2.178	10	30		CEEEHN
N#Cc1ncccc1CN1CCN(C2CCCC2)CC1	ZINC000061664590	526790590	/nfs/dbraw/zinc/79/05/90/526790590.db2.gz	WJWQWQOFVQACQU-UHFFFAOYSA-N	0	3	270.380	2.013	10	30		CEEEHN
NCC#Cc1cc(COCC(F)(F)F)ccc1F	ZINC000049610358	527147196	/nfs/dbraw/zinc/14/71/96/527147196.db2.gz	HDQGAIMUZHGMIY-UHFFFAOYSA-N	0	3	261.218	2.215	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)CC[C@@H]2CCCCO2)cc1	ZINC000069399446	527151795	/nfs/dbraw/zinc/15/17/95/527151795.db2.gz	IVBNSJVPQVNYGS-INIZCTEOSA-N	0	3	286.375	2.285	10	30		CEEEHN
Cc1ncsc1C(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587230	527481126	/nfs/dbraw/zinc/48/11/26/527481126.db2.gz	KGMPLOOQRYMEPJ-NSHDSACASA-N	0	3	299.399	2.253	10	30		CEEEHN
CC(C)(C)OC(=O)NCCCN[C@@H]1CCC[C@@H]1C#N	ZINC000135302275	652964556	/nfs/dbraw/zinc/96/45/56/652964556.db2.gz	IZLOWAPZIZFRQM-VXGBXAGGSA-N	0	3	267.373	2.183	10	30		CEEEHN
C=C[C@@](C)(O)CN(CC)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036146476	361831021	/nfs/dbraw/zinc/83/10/21/361831021.db2.gz	ISKZIRCXSQBNNN-DOTOQJQBSA-N	0	3	288.391	2.439	10	30		CEEEHN
C[C@H](C#N)Oc1ccc(Br)c(CN)c1	ZINC000127964498	344332990	/nfs/dbraw/zinc/33/29/90/344332990.db2.gz	WHZNBEKJYBEGTC-SSDOTTSWSA-N	0	3	255.115	2.199	10	30		CEEEHN
C=CCCCN(C)C(=O)N[C@H]1CCCN(CC)C1	ZINC000152427055	344425801	/nfs/dbraw/zinc/42/58/01/344425801.db2.gz	NKBIKHHRASHTEF-ZDUSSCGKSA-N	0	3	253.390	2.078	10	30		CEEEHN
COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1	ZINC000166228425	344475998	/nfs/dbraw/zinc/47/59/98/344475998.db2.gz	SFCNXGWEBCZXFR-OAHLLOKOSA-N	0	3	272.348	2.252	10	30		CEEEHN
N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccn1	ZINC000253092754	344642755	/nfs/dbraw/zinc/64/27/55/344642755.db2.gz	LKOXVIRYCKWPPX-GVDBMIGSSA-N	0	3	285.391	2.469	10	30		CEEEHN
Cc1nnc(NCc2ccc3c(c2)CNC3)c(C#N)c1C	ZINC000097830041	232186832	/nfs/dbraw/zinc/18/68/32/232186832.db2.gz	NPTPSQNSLJYPLI-UHFFFAOYSA-N	0	3	279.347	2.180	10	30		CEEEHN
Cc1nc(N2CCN3CCC[C@H]3C2)c(Cl)cc1C#N	ZINC000336816235	365859948	/nfs/dbraw/zinc/85/99/48/365859948.db2.gz	LBMFYVUURQFDDN-LBPRGKRZSA-N	0	3	276.771	2.200	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2sccc2C#CCN)CC[C@@H]1C	ZINC000086081137	179227648	/nfs/dbraw/zinc/22/76/48/179227648.db2.gz	UVVLNOLUQJNRFR-DMDPSCGWSA-N	0	3	276.405	2.223	10	30		CEEEHN
CC(C)C[N@@H+]1CCC[C@@H]1C/N=C/c1ccc(O)c([O-])c1O	ZINC000129622590	365880010	/nfs/dbraw/zinc/88/00/10/365880010.db2.gz	KSNNDCXHAHPFOL-QOSBVPTNSA-N	0	3	292.379	2.343	10	30		CEEEHN
CC(C)C[N@H+]1CCC[C@@H]1C/N=C/c1ccc(O)c([O-])c1O	ZINC000129622590	365880020	/nfs/dbraw/zinc/88/00/20/365880020.db2.gz	KSNNDCXHAHPFOL-QOSBVPTNSA-N	0	3	292.379	2.343	10	30		CEEEHN
N#Cc1ccc(NC(=O)C[C@H]2CSCCN2)cc1Cl	ZINC000091134320	180103142	/nfs/dbraw/zinc/10/31/42/180103142.db2.gz	RLYACDJGEQNENL-NSHDSACASA-N	0	3	295.795	2.245	10	30		CEEEHN
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccncc2C#CCN)C1	ZINC000091462044	180162519	/nfs/dbraw/zinc/16/25/19/180162519.db2.gz	UDVWCARLFMYWAA-DZGCQCFKSA-N	0	3	285.391	2.043	10	30		CEEEHN
C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1C#CCN	ZINC000091462538	180162611	/nfs/dbraw/zinc/16/26/11/180162611.db2.gz	ISVLTRJOMFUMSP-XJKSGUPXSA-N	0	3	285.391	2.043	10	30		CEEEHN
Cc1ncccc1NC(=O)c1cccc(C#CCN)c1C	ZINC000091497949	180172939	/nfs/dbraw/zinc/17/29/39/180172939.db2.gz	AOWPNNHQFVMGLC-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
CC1CCN(C(=O)Nc2ccc(C#CCN)cc2F)CC1	ZINC000091992435	180300498	/nfs/dbraw/zinc/30/04/98/180300498.db2.gz	ZQWYZASGUWPVOL-UHFFFAOYSA-N	0	3	289.354	2.400	10	30		CEEEHN
CCc1nn(-c2cccc(C#N)c2)c(CC)c1CN	ZINC000092319884	180361937	/nfs/dbraw/zinc/36/19/37/180361937.db2.gz	UEFOOIOCSABCOV-UHFFFAOYSA-N	0	3	254.337	2.327	10	30		CEEEHN
Cc1noc(C)c1CNC(=O)C(C#N)Cc1ccccc1	ZINC000092330787	180364556	/nfs/dbraw/zinc/36/45/56/180364556.db2.gz	IQOUBSHPZWDWBN-AWEZNQCLSA-N	0	3	283.331	2.290	10	30		CEEEHN
Cc1cc(NC(=O)c2cc(C#CCN)ccc2C)ccn1	ZINC000092365949	180369384	/nfs/dbraw/zinc/36/93/84/180369384.db2.gz	PQYJMTDVCFYGOX-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@@H](C)c1ccc(C)s1	ZINC000092474990	180393873	/nfs/dbraw/zinc/39/38/73/180393873.db2.gz	REYMLXRZKYAQNS-NSHDSACASA-N	0	3	252.383	2.352	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@@H](C)c1ccccc1F	ZINC000092474647	180393885	/nfs/dbraw/zinc/39/38/85/180393885.db2.gz	YKMXRPJBWSVUPR-NSHDSACASA-N	0	3	250.317	2.121	10	30		CEEEHN
C=CCNCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21	ZINC000092474737	180393900	/nfs/dbraw/zinc/39/39/00/180393900.db2.gz	ILAZWKGUGSJBFV-MJBXVCDLSA-N	0	3	250.386	2.189	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccccc1OC(F)F	ZINC000092474112	180394107	/nfs/dbraw/zinc/39/41/07/180394107.db2.gz	OJOIJYHNDURJKC-SNVBAGLBSA-N	0	3	284.306	2.241	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@H]1c1ccsc1	ZINC000092474786	180394131	/nfs/dbraw/zinc/39/41/31/180394131.db2.gz	QXTBKBFHOBEPOF-LBPRGKRZSA-N	0	3	250.367	2.187	10	30		CEEEHN
CN(C)[C@H]1CCN(C(=O)C2(C#N)CCCCCC2)C1	ZINC000110250176	186288416	/nfs/dbraw/zinc/28/84/16/186288416.db2.gz	UEGWLQKISMJJHL-ZDUSSCGKSA-N	0	3	263.385	2.013	10	30		CEEEHN
NCC#Cc1cnc(NC(=O)c2ccc3cc[nH]c3c2)s1	ZINC000111289322	186390987	/nfs/dbraw/zinc/39/09/87/186390987.db2.gz	IWCUYSPVEHCBRK-UHFFFAOYSA-N	0	3	296.355	2.187	10	30		CEEEHN
CC(=O)c1ccc(C#N)cc1N1C[C@@H](C)[C@@H](N(C)C)C1	ZINC000131318488	366041902	/nfs/dbraw/zinc/04/19/02/366041902.db2.gz	CUUJKCLALITJIQ-BZNIZROVSA-N	0	3	271.364	2.147	10	30		CEEEHN
C#CCSCCNCc1cnc2c(cnn2C(C)C)c1	ZINC000152916674	188052824	/nfs/dbraw/zinc/05/28/24/188052824.db2.gz	UFCPWXOBGXZFFO-UHFFFAOYSA-N	0	3	288.420	2.468	10	30		CEEEHN
CC[C@](C)(C#N)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000136214432	366504039	/nfs/dbraw/zinc/50/40/39/366504039.db2.gz	CHSIXIYXEILKAM-TZMCWYRMSA-N	0	3	253.390	2.019	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C#N)c2)C1	ZINC000150850953	366599586	/nfs/dbraw/zinc/59/95/86/366599586.db2.gz	WYBMFPNZUFNVBQ-DOMZBBRYSA-N	0	3	286.379	2.408	10	30		CEEEHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Cc1ccccc1	ZINC000008300186	361342145	/nfs/dbraw/zinc/34/21/45/361342145.db2.gz	UOWRMLAMFKUVHX-YESZJQIVSA-N	0	3	284.403	2.242	10	30		CEEEHN
Cc1nc2n(n1)CCC[C@H]2NCC(C)(C)CCC#N	ZINC000083476046	363775866	/nfs/dbraw/zinc/77/58/66/363775866.db2.gz	STLLJWPUGDHVGP-GFCCVEGCSA-N	0	3	261.373	2.341	10	30		CEEEHN
COc1ccc(CN2CCC[C@H]2CCCO)cc1C#N	ZINC000087832795	363872603	/nfs/dbraw/zinc/87/26/03/363872603.db2.gz	HQSBXUHPEIZDOT-HNNXBMFYSA-N	0	3	274.364	2.304	10	30		CEEEHN
Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000171082828	367474570	/nfs/dbraw/zinc/47/45/70/367474570.db2.gz	KWPAALRCSDHGEV-CYBMUJFWSA-N	0	3	272.352	2.035	10	30		CEEEHN
C=CCOc1ccccc1C(=O)N1CC[C@H](N(C)C)C1	ZINC000170867354	367436373	/nfs/dbraw/zinc/43/63/73/367436373.db2.gz	LVKZDQUDQUDLTE-ZDUSSCGKSA-N	0	3	274.364	2.028	10	30		CEEEHN
N#Cc1cc(NC(=O)N2CCN3CCC[C@@H]3C2)ccc1F	ZINC000171893932	367635210	/nfs/dbraw/zinc/63/52/10/367635210.db2.gz	NJUNDFLBAUAVAP-CYBMUJFWSA-N	0	3	288.326	2.009	10	30		CEEEHN
C#CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1	ZINC000247203882	371075735	/nfs/dbraw/zinc/07/57/35/371075735.db2.gz	BYSBUPOTPIMJSY-HOCLYGCPSA-N	0	3	298.386	2.007	10	30		CEEEHN
CC#CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000248628181	371226031	/nfs/dbraw/zinc/22/60/31/371226031.db2.gz	VPXVKPASYCTIFE-BFHYXJOUSA-N	0	3	278.396	2.245	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1	ZINC000249123738	371298080	/nfs/dbraw/zinc/29/80/80/371298080.db2.gz	IFCBUVYSXAREGP-YJBOKZPZSA-N	0	3	299.418	2.019	10	30		CEEEHN
N#Cc1cc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)ccc1F	ZINC000398994656	395241207	/nfs/dbraw/zinc/24/12/07/395241207.db2.gz	JMVBESIQRNBQRL-NWANDNLSSA-N	0	3	274.339	2.290	10	30		CEEEHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cccs1	ZINC000182560719	395244934	/nfs/dbraw/zinc/24/49/34/395244934.db2.gz	KRZVCQMOGCEUDM-RYUDHWBXSA-N	0	3	279.409	2.407	10	30		CEEEHN
CCN(CCC#N)C(=O)CN[C@H](C)c1cccs1	ZINC000182559833	395245572	/nfs/dbraw/zinc/24/55/72/395245572.db2.gz	XCCNIKDYYDEQNS-LLVKDONJSA-N	0	3	265.382	2.161	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1CCC[C@H](Cn2cncn2)C1	ZINC000186231840	395286685	/nfs/dbraw/zinc/28/66/85/395286685.db2.gz	SAGRFEYRJFSJHD-INIZCTEOSA-N	0	3	295.390	2.370	10	30		CEEEHN
CN1CCc2nc(N)c(C#N)c(-c3cccs3)c2C1	ZINC000022000825	171348395	/nfs/dbraw/zinc/34/83/95/171348395.db2.gz	FWMRNSGJVAAJKV-UHFFFAOYSA-N	0	3	270.361	2.252	10	30		CEEEHN
C#CCN1CCC(N[C@@H](C)c2ccccc2OC)CC1	ZINC000037217601	173035583	/nfs/dbraw/zinc/03/55/83/173035583.db2.gz	HNAIECLWQJGNND-AWEZNQCLSA-N	0	3	272.392	2.443	10	30		CEEEHN
CC(C)C[C@H](N)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000037508810	173242395	/nfs/dbraw/zinc/24/23/95/173242395.db2.gz	WFZXTYSKUHLHMB-FZMZJTMJSA-N	0	3	259.353	2.109	10	30		CEEEHN
COC1CCN(Cc2ccc(C#CCCO)s2)CC1	ZINC000043679611	175090668	/nfs/dbraw/zinc/09/06/68/175090668.db2.gz	NWPVHPHHXZMFIF-UHFFFAOYSA-N	0	3	279.405	2.093	10	30		CEEEHN
CCN(Cc1ccc(C#CCN)s1)C[C@H](C)C#N	ZINC000043684142	175092816	/nfs/dbraw/zinc/09/28/16/175092816.db2.gz	JVCRCORLUNWSTM-GFCCVEGCSA-N	0	3	261.394	2.040	10	30		CEEEHN
CC[C@H]1CO[C@H](C)CN1Cc1cc(C#CCN)cs1	ZINC000043689014	175096110	/nfs/dbraw/zinc/09/61/10/175096110.db2.gz	OUECPBZJTHMKIS-OCCSQVGLSA-N	0	3	278.421	2.058	10	30		CEEEHN
CCO[C@H]1CCCN(Cc2cc(C#CCCO)cs2)C1	ZINC000043698669	175096629	/nfs/dbraw/zinc/09/66/29/175096629.db2.gz	HXZDTAKRZJFPKL-HNNXBMFYSA-N	0	3	293.432	2.483	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N[C@@H](CN(C)C)C(C)C	ZINC000044766582	175249438	/nfs/dbraw/zinc/24/94/38/175249438.db2.gz	VXNCWIUEBJNRHN-LBPRGKRZSA-N	0	3	253.390	2.019	10	30		CEEEHN
CCN1CCN(CCCC[C@@](C)(C#N)NC(C)C)CC1	ZINC000045306539	175355517	/nfs/dbraw/zinc/35/55/17/175355517.db2.gz	UZNWKOSQBQSDTC-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
N#CCc1ccc(N2CCC[C@@H](NC3CC3)C2=O)cc1	ZINC000071041489	176028300	/nfs/dbraw/zinc/02/83/00/176028300.db2.gz	CIYXOJDYUZOLNM-OAHLLOKOSA-N	0	3	269.348	2.000	10	30		CEEEHN
CCCN[C@H]1CCCN(c2cc(C#N)ccc2C)C1=O	ZINC000071042235	176028763	/nfs/dbraw/zinc/02/87/63/176028763.db2.gz	AIRCIVGIRZVJBW-AWEZNQCLSA-N	0	3	271.364	2.362	10	30		CEEEHN
CN(C)c1ccc2c(c1)C(C#N)N(Cc1cccnc1)C2=O	ZINC000071679149	176244381	/nfs/dbraw/zinc/24/43/81/176244381.db2.gz	NVCICUFIRFWUKQ-MRXNPFEDSA-N	0	3	292.342	2.368	10	30		CEEEHN
CC1(C)CCC(NC(=O)c2ccc(C#CCN)cn2)CC1	ZINC000079696625	177538136	/nfs/dbraw/zinc/53/81/36/177538136.db2.gz	PZULTMBYDAVVQX-UHFFFAOYSA-N	0	3	285.391	2.090	10	30		CEEEHN
CCCC(=O)N[C@@H]1CCCN(CCCCC#N)C1	ZINC000102401674	261235271	/nfs/dbraw/zinc/23/52/71/261235271.db2.gz	CJABVVWGVRPZTP-CYBMUJFWSA-N	0	3	251.374	2.061	10	30		CEEEHN
Cc1ccc(NC(=[NH2+])NCc2cnc(C)[n-]c2=O)cc1C	ZINC000262219834	330001948	/nfs/dbraw/zinc/00/19/48/330001948.db2.gz	KCMPXVYDKKUQIF-UHFFFAOYSA-N	0	3	285.351	2.034	10	30		CEEEHN
CCc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424068360	330219514	/nfs/dbraw/zinc/21/95/14/330219514.db2.gz	RPFIYEAPCPAFBG-SWLSCSKDSA-N	0	3	273.380	2.447	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCCc2ccccc21	ZINC000424078660	330221337	/nfs/dbraw/zinc/22/13/37/330221337.db2.gz	QEWIISQKWDYRCI-LSDHHAIUSA-N	0	3	271.364	2.201	10	30		CEEEHN
C=CCCC[C@H](C)NC(=O)N1CC[C@H](N(C)C)C1	ZINC000181091100	335749932	/nfs/dbraw/zinc/74/99/32/335749932.db2.gz	BNOZQZDYDRXRJT-STQMWFEESA-N	0	3	253.390	2.077	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613182	520102649	/nfs/dbraw/zinc/10/26/49/520102649.db2.gz	HIYBRZDEMFDZRU-RDJZCZTQSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1cc(C#CCN)ccc1F	ZINC000069461746	521294178	/nfs/dbraw/zinc/29/41/78/521294178.db2.gz	YCMFECHMZHEHDB-UHFFFAOYSA-N	0	3	276.355	2.397	10	30		CEEEHN
C#CCCOc1ccc(Cl)cc1CNCCOC	ZINC000062731046	518252934	/nfs/dbraw/zinc/25/29/34/518252934.db2.gz	FQTUDRRLAPTKDM-UHFFFAOYSA-N	0	3	267.756	2.478	10	30		CEEEHN
CC(C)(C)CC(=O)NCc1cccc(C#CCN)c1	ZINC000049586547	518622709	/nfs/dbraw/zinc/62/27/09/518622709.db2.gz	PUXAZPUPCJUUTH-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CC#CCOc1c(C)cc(CNCCOC)cc1C	ZINC000062728687	519343952	/nfs/dbraw/zinc/34/39/52/519343952.db2.gz	KIZHGHDXABYYNP-UHFFFAOYSA-N	0	3	261.365	2.442	10	30		CEEEHN
CC(C)CC(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587144	519597768	/nfs/dbraw/zinc/59/77/68/519597768.db2.gz	XUUWUMQKJNHWTN-ZDUSSCGKSA-N	0	3	258.365	2.220	10	30		CEEEHN
CC(C)CC(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049586734	519598617	/nfs/dbraw/zinc/59/86/17/519598617.db2.gz	MXVRHWCYYXFIET-ZDUSSCGKSA-N	0	3	258.365	2.220	10	30		CEEEHN
CC(C)CNCc1cc2c(cc1OCC#N)OCO2	ZINC000062733954	519747105	/nfs/dbraw/zinc/74/71/05/519747105.db2.gz	ZONVLWCJVURYQR-UHFFFAOYSA-N	0	3	262.309	2.063	10	30		CEEEHN
CCC[C@@H](NCC(=O)NCCC#N)c1cccs1	ZINC000049544894	520770521	/nfs/dbraw/zinc/77/05/21/520770521.db2.gz	RVBAPHMYNMBXMJ-LLVKDONJSA-N	0	3	265.382	2.209	10	30		CEEEHN
CC[C@@H](C)C(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049586614	521901925	/nfs/dbraw/zinc/90/19/25/521901925.db2.gz	RRTXULZFAVOSRR-CYBMUJFWSA-N	0	3	258.365	2.001	10	30		CEEEHN
CN(Cc1cccc(C#CCCO)c1)C[C@@H]1CCCO1	ZINC000049614159	523290536	/nfs/dbraw/zinc/29/05/36/523290536.db2.gz	WAHGUTWUAOOBAZ-KRWDZBQOSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1cccnc1)Cc1ccc(F)cc1C#CCN	ZINC000049609287	523417786	/nfs/dbraw/zinc/41/77/86/523417786.db2.gz	GLPVPPIGMQSGTJ-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
CN(Cc1ccncc1)Cc1ccc(C#CCN)cc1F	ZINC000049609301	523462551	/nfs/dbraw/zinc/46/25/51/523462551.db2.gz	GAWKTYJXFGNQCN-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
CCc1c(C)nn(Cc2cccc(C#CCN)c2)c1C	ZINC000049610259	523716810	/nfs/dbraw/zinc/71/68/10/523716810.db2.gz	CCNAJAYCMQIZCN-UHFFFAOYSA-N	0	3	267.376	2.421	10	30		CEEEHN
CO[C@H]1CCC[C@H](Oc2ccccc2C#CCN)C1	ZINC000070338238	523984354	/nfs/dbraw/zinc/98/43/54/523984354.db2.gz	UYJQMMJGAFORDP-GJZGRUSLSA-N	0	3	259.349	2.333	10	30		CEEEHN
Cc1cccc(C(=O)NCc2ccc(C#CCN)cc2)c1	ZINC000049586298	524199628	/nfs/dbraw/zinc/19/96/28/524199628.db2.gz	XMUJOIKGAIXXFH-UHFFFAOYSA-N	0	3	278.355	2.235	10	30		CEEEHN
Cc1ccc(F)cc1NC(=O)c1cncc(C#CCN)c1	ZINC000049629355	524868861	/nfs/dbraw/zinc/86/88/61/524868861.db2.gz	IYDMNNAHVQBIHN-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CSCCC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691947	525377947	/nfs/dbraw/zinc/37/79/47/525377947.db2.gz	BZLWLMIIHLGETP-UHFFFAOYSA-N	0	3	282.796	2.342	10	30		CEEEHN
Cc1ccc(C(=O)Nc2cccc(C#CCN)c2)c(C)n1	ZINC000055331184	526223940	/nfs/dbraw/zinc/22/39/40/526223940.db2.gz	LDXDCEDLNQIQJO-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
Cc1nn(Cc2ccc(F)c(C#CCN)c2)c(C)c1C	ZINC000049610248	526290419	/nfs/dbraw/zinc/29/04/19/526290419.db2.gz	VFGDKZADMXWNFC-UHFFFAOYSA-N	0	3	271.339	2.306	10	30		CEEEHN
Cc1occc1C(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587198	526812137	/nfs/dbraw/zinc/81/21/37/526812137.db2.gz	FMQZJKCKUREAFV-GFCCVEGCSA-N	0	3	282.343	2.389	10	30		CEEEHN
NCC#Cc1cc(Cn2cc(Cl)cn2)ccc1F	ZINC000049610228	527147531	/nfs/dbraw/zinc/14/75/31/527147531.db2.gz	HUNFHOVRTBVDMJ-UHFFFAOYSA-N	0	3	263.703	2.034	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)CC[C@@H]2CCCCO2)c1	ZINC000069399454	527153737	/nfs/dbraw/zinc/15/37/37/527153737.db2.gz	XSDFHEHVSLUERA-INIZCTEOSA-N	0	3	286.375	2.285	10	30		CEEEHN
C#CCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000173563635	639865485	/nfs/dbraw/zinc/86/54/85/639865485.db2.gz	IVDYHGOISAPSQS-HNNXBMFYSA-N	0	3	273.380	2.002	10	30		CEEEHN
Cn1cc([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)cn1	ZINC000121144747	365527277	/nfs/dbraw/zinc/52/72/77/365527277.db2.gz	MDJQNOKCZKUEPG-ZDUSSCGKSA-N	0	3	284.338	2.420	10	30		CEEEHN
C=CCC[C@@H](O)CN(C)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147301	361831521	/nfs/dbraw/zinc/83/15/21/361831521.db2.gz	ASDYXGPDSLHJGF-CVEARBPZSA-N	0	3	288.391	2.439	10	30		CEEEHN
N#Cc1ccccc1OCCN1CCC[C@@H]1CCCO	ZINC000052759637	362472839	/nfs/dbraw/zinc/47/28/39/362472839.db2.gz	PDPYRWPRSKBGTJ-OAHLLOKOSA-N	0	3	274.364	2.174	10	30		CEEEHN
N#Cc1cccc(Cl)c1NC[C@H](O)CN1CCCCC1	ZINC000174685270	232297648	/nfs/dbraw/zinc/29/76/48/232297648.db2.gz	IYFYPSMSNVQWQW-ZDUSSCGKSA-N	0	3	293.798	2.470	10	30		CEEEHN
N#Cc1ccc(C(=O)Nc2ccccc2CN)cc1	ZINC000085810250	179177581	/nfs/dbraw/zinc/17/75/81/179177581.db2.gz	MANAJUZRUGIEMH-UHFFFAOYSA-N	0	3	251.289	2.269	10	30		CEEEHN
C=C(C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1	ZINC000616571164	348524347	/nfs/dbraw/zinc/52/43/47/348524347.db2.gz	POMMKOQCJPUGBQ-KGLIPLIRSA-N	0	3	262.328	2.045	10	30		CEEEHN
NCC#Cc1cncc(OC[C@H]2Cc3ccccc32)c1	ZINC000090981050	180078895	/nfs/dbraw/zinc/07/88/95/180078895.db2.gz	DIRBNFBTCWVCLN-OAHLLOKOSA-N	0	3	264.328	2.111	10	30		CEEEHN
NCC#Cc1cnccc1C(=O)Nc1ccc(Cl)cc1	ZINC000091460963	180161653	/nfs/dbraw/zinc/16/16/53/180161653.db2.gz	HVQRNRIBSFCEGY-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
CN1CCC[C@](O)(C2(C#N)Cc3ccccc3C2)CC1	ZINC000091888254	180280960	/nfs/dbraw/zinc/28/09/60/180280960.db2.gz	APTXCDMVTYSYCW-QGZVFWFLSA-N	0	3	270.376	2.142	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1cccc(Cl)c1	ZINC000105676609	186068059	/nfs/dbraw/zinc/06/80/59/186068059.db2.gz	LAVLZKWVVHIXAP-JTQLQIEISA-N	0	3	252.745	2.293	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1C[C@H](C)[C@@H](C)C1	ZINC000092087092	180321068	/nfs/dbraw/zinc/32/10/68/180321068.db2.gz	ZCICICWXPQIPTM-KBPBESRZSA-N	0	3	273.376	2.127	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1C[C@@H](C)[C@H](C)C1	ZINC000092087093	180321111	/nfs/dbraw/zinc/32/11/11/180321111.db2.gz	ZCICICWXPQIPTM-ZIAGYGMSSA-N	0	3	273.376	2.127	10	30		CEEEHN
CC[C@H]1CN(Cc2ccc(C#N)cc2)CCN1CCOC	ZINC000106116476	186103115	/nfs/dbraw/zinc/10/31/15/186103115.db2.gz	WHPDXYAVWOXCOE-KRWDZBQOSA-N	0	3	287.407	2.101	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1	ZINC000092474561	180393596	/nfs/dbraw/zinc/39/35/96/180393596.db2.gz	ZSAAXYKTLMYEQR-DGCLKSJQSA-N	0	3	262.353	2.137	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@H]1C1CCCCC1	ZINC000092474863	180393685	/nfs/dbraw/zinc/39/36/85/180393685.db2.gz	VMCCBSZVRAEEOF-AWEZNQCLSA-N	0	3	250.386	2.333	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccccc1OC(C)C	ZINC000092474308	180393688	/nfs/dbraw/zinc/39/36/88/180393688.db2.gz	QNXHXKLKLRADEF-ZDUSSCGKSA-N	0	3	276.380	2.427	10	30		CEEEHN
C=CCNCC(=O)N(CC(F)(F)F)C(CC)CC	ZINC000092474803	180394056	/nfs/dbraw/zinc/39/40/56/180394056.db2.gz	CZAQKKJHTCHCGB-UHFFFAOYSA-N	0	3	266.307	2.342	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)s2)CC1	ZINC000110817733	186327148	/nfs/dbraw/zinc/32/71/48/186327148.db2.gz	XGIYXHUXCLMIKE-GFCCVEGCSA-N	0	3	276.405	2.321	10	30		CEEEHN
CC[C@@H]1CN(Cc2cc(C#N)ccc2F)CCN1C	ZINC000110718625	186315738	/nfs/dbraw/zinc/31/57/38/186315738.db2.gz	TXNIRLBMJIEISF-CQSZACIVSA-N	0	3	261.344	2.223	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCCN1CCN(C)C(C)(C)C1	ZINC000110737519	186318337	/nfs/dbraw/zinc/31/83/37/186318337.db2.gz	AZMUGWTXGZTTHQ-KRWDZBQOSA-N	0	3	294.487	2.465	10	30		CEEEHN
CN(Cc1ccc(C#CCO)cc1F)C[C@H]1CCCOC1	ZINC000111168260	186363913	/nfs/dbraw/zinc/36/39/13/186363913.db2.gz	RYZURDKKRFNAFH-OAHLLOKOSA-N	0	3	291.366	2.028	10	30		CEEEHN
Cc1cc(NS(=O)(=O)CCC(C)C)ccc1C#CCN	ZINC000111658267	186438704	/nfs/dbraw/zinc/43/87/04/186438704.db2.gz	TVPWDDWLFVXZEH-UHFFFAOYSA-N	0	3	294.420	2.093	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N1C[C@H]2CCCN2C[C@@H]1C	ZINC000094460716	364275990	/nfs/dbraw/zinc/27/59/90/364275990.db2.gz	RQJVQGYXUGEAMS-QWHCGFSZSA-N	0	3	263.385	2.011	10	30		CEEEHN
C=C(Br)CN1C[C@@H]2CCCN2C[C@H]1C	ZINC000247120414	371067812	/nfs/dbraw/zinc/06/78/12/371067812.db2.gz	JAPLLDJMCDPGMF-MNOVXSKESA-N	0	3	259.191	2.064	10	30		CEEEHN
C=CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000248597515	371219728	/nfs/dbraw/zinc/21/97/28/371219728.db2.gz	MVUDYFNNVUHOOS-YNEHKIRRSA-N	0	3	266.385	2.408	10	30		CEEEHN
COCCN1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C	ZINC000249111065	371296059	/nfs/dbraw/zinc/29/60/59/371296059.db2.gz	BHVGQSFIZOXEOU-HNNXBMFYSA-N	0	3	287.407	2.019	10	30		CEEEHN
C[C@@H]1CNCCN1c1ccc(C#N)cc1Br	ZINC000261958815	371783322	/nfs/dbraw/zinc/78/33/22/371783322.db2.gz	MGNRFQOVFZYJFI-SECBINFHSA-N	0	3	280.169	2.119	10	30		CEEEHN
Cc1cc(C#CCN)ccc1N1C(=O)c2ccccc2C1=O	ZINC000306318548	376545702	/nfs/dbraw/zinc/54/57/02/376545702.db2.gz	SHNOGNGGNQWHCB-UHFFFAOYSA-N	0	3	290.322	2.106	10	30		CEEEHN
C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(F)c(F)c1	ZINC000181638959	395220912	/nfs/dbraw/zinc/22/09/12/395220912.db2.gz	DBIYZMKJWQKLPT-LLVKDONJSA-N	0	3	295.333	2.378	10	30		CEEEHN
CC#CCN1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000195254329	395463248	/nfs/dbraw/zinc/46/32/48/395463248.db2.gz	JOPOVCHLPHCPAE-AWEZNQCLSA-N	0	3	277.437	2.229	10	30		CEEEHN
CCCN[C@H](c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000043301277	175001993	/nfs/dbraw/zinc/00/19/93/175001993.db2.gz	UBCBFIZXXJGMRT-LSDHHAIUSA-N	0	3	292.404	2.034	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)C[C@H]1CCCCO1	ZINC000043688956	175095332	/nfs/dbraw/zinc/09/53/32/175095332.db2.gz	BDFNAMGLAAVVGW-CQSZACIVSA-N	0	3	278.421	2.059	10	30		CEEEHN
CCN(Cc1cc(C#CCN)cs1)CC(F)(F)F	ZINC000043689128	175096254	/nfs/dbraw/zinc/09/62/54/175096254.db2.gz	PJHXOEYEOUZMPU-UHFFFAOYSA-N	0	3	276.327	2.443	10	30		CEEEHN
CN1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCCC1	ZINC000044767403	175250067	/nfs/dbraw/zinc/25/00/67/175250067.db2.gz	ROXMTIPYXVTMEK-CQSZACIVSA-N	0	3	277.412	2.451	10	30		CEEEHN
CCC[C@@H](C#N)C(=O)N[C@@H](CC(C)C)CN(C)C	ZINC000044825882	175259062	/nfs/dbraw/zinc/25/90/62/175259062.db2.gz	VUPUXEZIGFCQSA-STQMWFEESA-N	0	3	253.390	2.019	10	30		CEEEHN
C[C@@H]1CCCCN1Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266690	176100530	/nfs/dbraw/zinc/10/05/30/176100530.db2.gz	ANFCWQKKKJRDHN-SNVBAGLBSA-N	0	3	265.332	2.295	10	30		CEEEHN
C[C@H](c1cccc(C#CCN)c1)N1CCCCCC1=O	ZINC000071278329	176107773	/nfs/dbraw/zinc/10/77/73/176107773.db2.gz	IETMSSGFJPQVGS-CQSZACIVSA-N	0	3	270.376	2.460	10	30		CEEEHN
NCC#Cc1ccc(N2CCCCCC2=O)c(F)c1	ZINC000071278318	176107841	/nfs/dbraw/zinc/10/78/41/176107841.db2.gz	KGJPPFOJXJJSQF-UHFFFAOYSA-N	0	3	260.312	2.043	10	30		CEEEHN
Cc1sc(=O)n(Cc2ccc(F)cc2C#CCN)c1C	ZINC000071351742	176135063	/nfs/dbraw/zinc/13/50/63/176135063.db2.gz	MPIUGTTYKFDPMW-UHFFFAOYSA-N	0	3	290.363	2.024	10	30		CEEEHN
CN1CC[C@@H](Nc2nc3ccccc3cc2C#N)C1	ZINC000071385840	176147532	/nfs/dbraw/zinc/14/75/32/176147532.db2.gz	BCNYHRUSHBHSKM-CYBMUJFWSA-N	0	3	252.321	2.222	10	30		CEEEHN
Cc1ccncc1NC(=O)c1ccc(C#CCN)cc1F	ZINC000071414780	176160048	/nfs/dbraw/zinc/16/00/48/176160048.db2.gz	DJHKOQSSXIIPJH-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)CCc1ccc(C#N)cc1	ZINC000177007976	279297252	/nfs/dbraw/zinc/29/72/52/279297252.db2.gz	ZHANEXZAGQGOBT-QGZVFWFLSA-N	0	3	299.418	2.434	10	30		CEEEHN
C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000249284303	280390897	/nfs/dbraw/zinc/39/08/97/280390897.db2.gz	OQIXSEBXQUVBAE-RVKKMQEKSA-N	0	3	299.418	2.272	10	30		CEEEHN
CC(C)N1C[C@H](NCc2cc(C#N)cs2)[C@@H](C)C1	ZINC000154098745	289134499	/nfs/dbraw/zinc/13/44/99/289134499.db2.gz	WWDQAGKKPQRFJG-FZMZJTMJSA-N	0	3	263.410	2.438	10	30		CEEEHN
C=C(Br)CN1C[C@@H]2CCCN2C[C@@H]1C	ZINC000226658090	329262327	/nfs/dbraw/zinc/26/23/27/329262327.db2.gz	JAPLLDJMCDPGMF-QWRGUYRKSA-N	0	3	259.191	2.064	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NCc1cccnc1C#N	ZINC000061658398	519343189	/nfs/dbraw/zinc/34/31/89/519343189.db2.gz	ZHKRSXNPOLSCJU-CQSZACIVSA-N	0	3	260.385	2.019	10	30		CEEEHN
CC(C)CN1CCN(CC2(C=O)CCCC2)CC1	ZINC000055081586	519725686	/nfs/dbraw/zinc/72/56/86/519725686.db2.gz	PNOGDDPELPYUNW-UHFFFAOYSA-N	0	3	252.402	2.019	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1ccc(F)cc1C#CCN	ZINC000069461734	521296175	/nfs/dbraw/zinc/29/61/75/521296175.db2.gz	QQEXYPZCHOCNDB-UHFFFAOYSA-N	0	3	276.355	2.397	10	30		CEEEHN
CCN(Cc1ccc(C#CCN)cc1F)C[C@H]1CCCO1	ZINC000049609561	521299141	/nfs/dbraw/zinc/29/91/41/521299141.db2.gz	MCHFAYNQLRFAJC-MRXNPFEDSA-N	0	3	290.382	2.137	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C#CCN)ccc1F	ZINC000049105827	522294206	/nfs/dbraw/zinc/29/42/06/522294206.db2.gz	KRKBSCSMANGXJV-VXGBXAGGSA-N	0	3	276.355	2.300	10	30		CEEEHN
COc1ccc(C#CCN)cc1COC[C@@H]1CCCCO1	ZINC000049610756	523513190	/nfs/dbraw/zinc/51/31/90/523513190.db2.gz	VEZFSEYPZSOOPE-INIZCTEOSA-N	0	3	289.375	2.091	10	30		CEEEHN
CC[C@H](C)C(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049586947	523822355	/nfs/dbraw/zinc/82/23/55/523822355.db2.gz	PHCRUJJRZSYROW-ZDUSSCGKSA-N	0	3	258.365	2.001	10	30		CEEEHN
COCCNCc1ccc(OC)cc1OCCCC#N	ZINC000062733314	523951337	/nfs/dbraw/zinc/95/13/37/523951337.db2.gz	WKJRUWXUKDNEDJ-UHFFFAOYSA-N	0	3	278.352	2.114	10	30		CEEEHN
CC[C@H](C)N1CCN(CC[C@@](C)(C#N)NC(C)C)CC1	ZINC000055069995	523954087	/nfs/dbraw/zinc/95/40/87/523954087.db2.gz	XQGUVBNWBRQTGK-HOTGVXAUSA-N	0	3	280.460	2.073	10	30		CEEEHN
Cc1ccc(NC(=O)c2cncc(C#CCN)c2)c(C)c1	ZINC000049629224	525253913	/nfs/dbraw/zinc/25/39/13/525253913.db2.gz	MBIMASLCZNXLFB-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
Cc1cc(SCc2cc(C#CCN)cs2)n(C)n1	ZINC000052311572	525436963	/nfs/dbraw/zinc/43/69/63/525436963.db2.gz	GLKSOBKIULUJTK-UHFFFAOYSA-N	0	3	277.418	2.393	10	30		CEEEHN
C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccccc1C#N	ZINC000183087312	525526012	/nfs/dbraw/zinc/52/60/12/525526012.db2.gz	HEUBZYGQGDSFQL-SLEUVZQESA-N	0	3	287.363	2.042	10	30		CEEEHN
N#CCCCCN1CCN(c2cccc(N)c2)CC1	ZINC000049578678	526444363	/nfs/dbraw/zinc/44/43/63/526444363.db2.gz	AVZFZOQXPXSQIQ-UHFFFAOYSA-N	0	3	258.369	2.085	10	30		CEEEHN
N#Cc1c(F)cccc1NC(=O)[C@H](CN)c1ccccc1	ZINC000061611497	526525036	/nfs/dbraw/zinc/52/50/36/526525036.db2.gz	FTOHYZXAFYQXAD-GFCCVEGCSA-N	0	3	283.306	2.378	10	30		CEEEHN
N#Cc1cc(CNC[C@@H]2Cc3ccccc3O2)ccn1	ZINC000068752960	526549511	/nfs/dbraw/zinc/54/95/11/526549511.db2.gz	RIBLSQIVNGOUAS-HNNXBMFYSA-N	0	3	265.316	2.047	10	30		CEEEHN
N#Cc1ccccc1NC(=O)[C@@H](CN)c1ccccc1	ZINC000061610837	526743088	/nfs/dbraw/zinc/74/30/88/526743088.db2.gz	PDEYPZYPTSIJPY-AWEZNQCLSA-N	0	3	265.316	2.239	10	30		CEEEHN
NCC#Cc1cc(F)ccc1COCc1ccco1	ZINC000049610367	527148847	/nfs/dbraw/zinc/14/88/47/527148847.db2.gz	YRIBUFMQHVVKJS-UHFFFAOYSA-N	0	3	259.280	2.446	10	30		CEEEHN
NCC#Cc1ccc(C(=O)NCCc2ccsc2)s1	ZINC000049189254	527148982	/nfs/dbraw/zinc/14/89/82/527148982.db2.gz	UWHFZVZCTHWRMB-UHFFFAOYSA-N	0	3	290.413	2.092	10	30		CEEEHN
NCC#Cc1ccc(CN2CCCCCCC2=O)cc1	ZINC000049610001	527149342	/nfs/dbraw/zinc/14/93/42/527149342.db2.gz	RYHMEOKIDNJXMI-UHFFFAOYSA-N	0	3	270.376	2.290	10	30		CEEEHN
NCC#Cc1cccc(C(=O)N2Cc3ccccc3C2)c1	ZINC000050913632	527152271	/nfs/dbraw/zinc/15/22/71/527152271.db2.gz	UINJFCLPNWOTJX-UHFFFAOYSA-N	0	3	276.339	2.153	10	30		CEEEHN
C=CCN1CCC(NC(=O)c2cncc3cccnc32)CC1	ZINC000222616243	629183811	/nfs/dbraw/zinc/18/38/11/629183811.db2.gz	FXTCFESEWSGNEV-UHFFFAOYSA-N	0	3	296.374	2.010	10	30		CEEEHN
CCCN/C(=N\N)c1ccc(Br)cc1	ZINC000042036046	362057250	/nfs/dbraw/zinc/05/72/50/362057250.db2.gz	MJGNNXMHWSWLNO-UHFFFAOYSA-N	0	3	256.147	2.069	10	30		CEEEHN
C#CCOc1c(CNCCCOC)cccc1OCC	ZINC000045945964	362171929	/nfs/dbraw/zinc/17/19/29/362171929.db2.gz	SWEMLVRCONJGKC-UHFFFAOYSA-N	0	3	277.364	2.223	10	30		CEEEHN
CC[C@](N)(CCOCC#N)c1cc([N+](=O)[O-])ccc1F	ZINC000139587348	344394616	/nfs/dbraw/zinc/39/46/16/344394616.db2.gz	HVWXGNOGKRXVDD-ZDUSSCGKSA-N	0	3	281.287	2.228	10	30		CEEEHN
Cc1cc(C#N)cc(N2C[C@@H]3CCCCN3C[C@H]2C)n1	ZINC000253130774	344643455	/nfs/dbraw/zinc/64/34/55/344643455.db2.gz	OKRULNDUFUXAPS-HIFRSBDPSA-N	0	3	270.380	2.325	10	30		CEEEHN
CC[C@H](C#N)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000390774171	344837808	/nfs/dbraw/zinc/83/78/08/344837808.db2.gz	LVEXLZSQSPIEJO-DZGCQCFKSA-N	0	3	273.380	2.173	10	30		CEEEHN
COC[C@H](NCc1ccccc1OCC#N)C(C)C	ZINC000086696918	179320598	/nfs/dbraw/zinc/32/05/98/179320598.db2.gz	AVPCFGOEHAJECZ-AWEZNQCLSA-N	0	3	262.353	2.350	10	30		CEEEHN
N#Cc1ccc(CNC[C@@H]2CCCC[C@@H]2O)cc1F	ZINC000404150981	233193221	/nfs/dbraw/zinc/19/32/21/233193221.db2.gz	MCRPKQSZSUSBPB-ZFWWWQNUSA-N	0	3	262.328	2.338	10	30		CEEEHN
C[C@H](OCCOc1ccc(C#CCN)cc1)C(F)(F)F	ZINC000090673660	180021713	/nfs/dbraw/zinc/02/17/13/180021713.db2.gz	WVGNENDYZGBAQQ-NSHDSACASA-N	0	3	287.281	2.343	10	30		CEEEHN
C[C@@H](OCc1cccc(C#CCN)c1)C(F)(F)F	ZINC000090673659	180021880	/nfs/dbraw/zinc/02/18/80/180021880.db2.gz	XHWUWPREVJAVGQ-SNVBAGLBSA-N	0	3	257.255	2.464	10	30		CEEEHN
COc1ccc(C#CCN)cc1CO[C@@H](C)C(F)(F)F	ZINC000090673662	180021895	/nfs/dbraw/zinc/02/18/95/180021895.db2.gz	CJIACDGVQQMUTJ-JTQLQIEISA-N	0	3	287.281	2.473	10	30		CEEEHN
Cc1ccc(NC(=O)c2ccncc2C#CCN)c(C)c1	ZINC000091460633	180161738	/nfs/dbraw/zinc/16/17/38/180161738.db2.gz	SFUCINYXXGKAJX-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
Cc1ccc(C#CCN)cc1NC(=O)N1CCCCC1	ZINC000091969678	180295030	/nfs/dbraw/zinc/29/50/30/180295030.db2.gz	XGJVTOBDRYJZKS-UHFFFAOYSA-N	0	3	271.364	2.323	10	30		CEEEHN
C[C@H](NC(=O)N1CCCCC1)c1cccc(C#CCN)c1	ZINC000091969687	180295148	/nfs/dbraw/zinc/29/51/48/180295148.db2.gz	HMVXBNLPFZFCRC-AWEZNQCLSA-N	0	3	285.391	2.253	10	30		CEEEHN
CC1CCN(C(=O)Nc2ccc(C#CCN)cc2)CC1	ZINC000091992415	180300611	/nfs/dbraw/zinc/30/06/11/180300611.db2.gz	PRGRERSBQIBRJX-UHFFFAOYSA-N	0	3	271.364	2.261	10	30		CEEEHN
C[C@@H]1CN(Cc2ccc(C#CCO)cc2F)C[C@H]1C	ZINC000092087048	180321650	/nfs/dbraw/zinc/32/16/50/180321650.db2.gz	YNPXASZFRULLKV-CHWSQXEVSA-N	0	3	261.340	2.257	10	30		CEEEHN
Cc1cccc(COc2cccc(C#CCN)c2)n1	ZINC000092431822	180384195	/nfs/dbraw/zinc/38/41/95/180384195.db2.gz	BUJGWPBBYWKQCP-UHFFFAOYSA-N	0	3	252.317	2.279	10	30		CEEEHN
NCC#Cc1ccc(CSc2cnccn2)cc1	ZINC000110914145	186332580	/nfs/dbraw/zinc/33/25/80/186332580.db2.gz	TYMAQGASRAJETI-UHFFFAOYSA-N	0	3	255.346	2.079	10	30		CEEEHN
NCC#Cc1ccc(CSc2cnccn2)c(F)c1	ZINC000110914159	186333025	/nfs/dbraw/zinc/33/30/25/186333025.db2.gz	CDFKORKGYZIAMV-UHFFFAOYSA-N	0	3	273.336	2.218	10	30		CEEEHN
COc1ccc(CSc2ccncn2)cc1C#CCN	ZINC000111114969	186353958	/nfs/dbraw/zinc/35/39/58/186353958.db2.gz	SLXOTNPBUFYYOY-UHFFFAOYSA-N	0	3	285.372	2.088	10	30		CEEEHN
CC(C)N1C[C@H](NCc2ccc(C#N)s2)[C@@H](C)C1	ZINC000154089320	188122486	/nfs/dbraw/zinc/12/24/86/188122486.db2.gz	FOOSOWDAPRLCOZ-FZMZJTMJSA-N	0	3	263.410	2.438	10	30		CEEEHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccncc1	ZINC000000162488	361136977	/nfs/dbraw/zinc/13/69/77/361136977.db2.gz	GHXANTSHQLCIAM-GFCCVEGCSA-N	0	3	276.299	2.458	10	30		CEEEHN
C[C@H](NCC(=O)NCC#N)c1ccc(C(C)(C)C)cc1	ZINC000154369071	366770697	/nfs/dbraw/zinc/77/06/97/366770697.db2.gz	QIKLCDSLWSWGJP-LBPRGKRZSA-N	0	3	273.380	2.274	10	30		CEEEHN
C#CCN[C@@H](C)Cc1cccc(OC(=O)N(C)CC)c1	ZINC000013492336	361429276	/nfs/dbraw/zinc/42/92/76/361429276.db2.gz	RLJGNKUWFSRASJ-ZDUSSCGKSA-N	0	3	274.364	2.291	10	30		CEEEHN
CS(=O)(=O)OCC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000095076611	364333422	/nfs/dbraw/zinc/33/34/22/364333422.db2.gz	RTAULRCETRSRQQ-HNNXBMFYSA-N	0	3	297.420	2.265	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccccc1Cl	ZINC000095081776	364334912	/nfs/dbraw/zinc/33/49/12/364334912.db2.gz	MUWPCAJRGHXLEL-SNVBAGLBSA-N	0	3	252.745	2.293	10	30		CEEEHN
N#Cc1cccc(OCCN2CCN3CCCC[C@H]3C2)c1	ZINC000246168330	370919889	/nfs/dbraw/zinc/91/98/89/370919889.db2.gz	JAXAJNXWEIFULM-INIZCTEOSA-N	0	3	285.391	2.107	10	30		CEEEHN
N#Cc1ccc(CN[C@H]2CCCC[C@@H]2CO)c(F)c1	ZINC000227597804	370374550	/nfs/dbraw/zinc/37/45/50/370374550.db2.gz	RIJSKROUPSWSGS-HIFRSBDPSA-N	0	3	262.328	2.338	10	30		CEEEHN
C=CCN1C(=O)C[C@H]2[C@H]1CCN2Cc1cccs1	ZINC000248036197	256693055	/nfs/dbraw/zinc/69/30/55/256693055.db2.gz	ZAHPTFBJLCTNAO-OLZOCXBDSA-N	0	3	262.378	2.109	10	30		CEEEHN
N#CCSCCCN1CC[C@@H](Oc2cccnc2)C1	ZINC000152277498	394991669	/nfs/dbraw/zinc/99/16/69/394991669.db2.gz	IXUWWOTUJHVXPQ-CQSZACIVSA-N	0	3	277.393	2.182	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000567922863	395542902	/nfs/dbraw/zinc/54/29/02/395542902.db2.gz	RVOZSNFDVKJCML-GARJFASQSA-N	0	3	291.317	2.245	10	30		CEEEHN
N#Cc1cc(F)ccc1NC(=O)N1CCN2CCC[C@@H]2C1	ZINC000193724520	153242856	/nfs/dbraw/zinc/24/28/56/153242856.db2.gz	AFZWOQQSQXVQGB-CYBMUJFWSA-N	0	3	288.326	2.009	10	30		CEEEHN
N#Cc1ccc(NC[C@@H]2NCCc3ccccc32)cn1	ZINC000261802878	153844404	/nfs/dbraw/zinc/84/44/04/153844404.db2.gz	ROAKOIQMUVKWQY-INIZCTEOSA-N	0	3	264.332	2.252	10	30		CEEEHN
C=CC[C@H]1CCCC[C@H]1NCc1nnnn1C(C)C	ZINC000661117103	415103475	/nfs/dbraw/zinc/10/34/75/415103475.db2.gz	OHXIQLIBPZXGTA-QWHCGFSZSA-N	0	3	263.389	2.479	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1ccc(C#CCN)cc1	ZINC000045091832	175305752	/nfs/dbraw/zinc/30/57/52/175305752.db2.gz	UUZJCVRCEXDBSM-UHFFFAOYSA-N	0	3	258.365	2.115	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCCCN1CCN(C2CC2)CC1	ZINC000045320521	175359104	/nfs/dbraw/zinc/35/91/04/175359104.db2.gz	LZPXTRAZCHAWJU-QGZVFWFLSA-N	0	3	292.471	2.217	10	30		CEEEHN
CN[C@H](C)c1cc(F)ccc1N(CCC#N)CCOC	ZINC000071226010	176089617	/nfs/dbraw/zinc/08/96/17/176089617.db2.gz	FZYNZDZFKUWMMV-GFCCVEGCSA-N	0	3	279.359	2.473	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)NC2CCCCC2)s1	ZINC000071323038	176123260	/nfs/dbraw/zinc/12/32/60/176123260.db2.gz	SDINITSJVHGGGS-UHFFFAOYSA-N	0	3	291.420	2.190	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)Nc2ccccc2)c1	ZINC000071323008	176123505	/nfs/dbraw/zinc/12/35/05/176123505.db2.gz	ODIKNDNYGOHOTK-UHFFFAOYSA-N	0	3	285.372	2.380	10	30		CEEEHN
Cc1sc(=O)n(Cc2ccc(C#CCN)cc2F)c1C	ZINC000071351738	176135140	/nfs/dbraw/zinc/13/51/40/176135140.db2.gz	HBMBSNHBSBFSPD-UHFFFAOYSA-N	0	3	290.363	2.024	10	30		CEEEHN
C=C(C)CN1CCC(NC(=O)N(CC)CC)CC1	ZINC000106341159	261835203	/nfs/dbraw/zinc/83/52/03/261835203.db2.gz	WWJQUNPIKWGWJA-UHFFFAOYSA-N	0	3	253.390	2.078	10	30		CEEEHN
CC1(C)CN(c2c(C#N)cnc3ccccc32)CCN1	ZINC000212962719	273584764	/nfs/dbraw/zinc/58/47/64/273584764.db2.gz	BLTJQAATBSQXRN-UHFFFAOYSA-N	0	3	266.348	2.295	10	30		CEEEHN
C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)nn1	ZINC000302014221	278242057	/nfs/dbraw/zinc/24/20/57/278242057.db2.gz	LCXZCCGBQKQMLH-ZDUSSCGKSA-N	0	3	281.363	2.281	10	30		CEEEHN
C[C@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCOCC2)C1	ZINC000173922321	278306055	/nfs/dbraw/zinc/30/60/55/278306055.db2.gz	BNNFUUBFZGJQPP-PBHICJAKSA-N	0	3	285.391	2.026	10	30		CEEEHN
C=C[C@H](C)Oc1ccc(CNCCOC)cc1OC	ZINC000062731965	519300990	/nfs/dbraw/zinc/30/09/90/519300990.db2.gz	RUHXJFKRBLQERN-LBPRGKRZSA-N	0	3	265.353	2.385	10	30		CEEEHN
CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616438	519739316	/nfs/dbraw/zinc/73/93/16/519739316.db2.gz	OXKHVWUEYBQLFK-ZBFHGGJFSA-N	0	3	280.460	2.071	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C#N)c1ccccc1	ZINC000061615023	519337454	/nfs/dbraw/zinc/33/74/54/519337454.db2.gz	MZESPNTUVIMCQO-CVEARBPZSA-N	0	3	287.407	2.386	10	30		CEEEHN
CC(C)C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000050442487	519776353	/nfs/dbraw/zinc/77/63/53/519776353.db2.gz	RDYSLKZHRSIRRV-LBPRGKRZSA-N	0	3	291.355	2.250	10	30		CEEEHN
CCCCC[C@@H](C)NC(=O)c1cncc(C#CCN)c1	ZINC000049629635	520286042	/nfs/dbraw/zinc/28/60/42/520286042.db2.gz	BSZAAOYUUSTWAQ-CYBMUJFWSA-N	0	3	273.380	2.090	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1ccc(C#CCN)cc1F	ZINC000050891003	521146992	/nfs/dbraw/zinc/14/69/92/521146992.db2.gz	KTMUSMIFSIAOCG-LBPRGKRZSA-N	0	3	276.355	2.444	10	30		CEEEHN
CCN(Cc1ccc(C#CCN)cc1F)C[C@@H]1CCCO1	ZINC000049609560	521298299	/nfs/dbraw/zinc/29/82/99/521298299.db2.gz	MCHFAYNQLRFAJC-INIZCTEOSA-N	0	3	290.382	2.137	10	30		CEEEHN
CC[C@@H](C#N)Oc1ccc(CNCCOC)cc1OC	ZINC000062731974	521801796	/nfs/dbraw/zinc/80/17/96/521801796.db2.gz	IHKZPSSTVXVPHR-ZDUSSCGKSA-N	0	3	278.352	2.112	10	30		CEEEHN
CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049586767	521918601	/nfs/dbraw/zinc/91/86/01/521918601.db2.gz	WTSROPIUDJBWJI-OLZOCXBDSA-N	0	3	258.365	2.220	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C#CCN)cc1F	ZINC000049105844	522357755	/nfs/dbraw/zinc/35/77/55/522357755.db2.gz	RIKVLAQMRXQGFH-NEPJUHHUSA-N	0	3	276.355	2.300	10	30		CEEEHN
COC1CCN(Cc2cccc(C#CCCO)c2)CC1	ZINC000049618110	522705245	/nfs/dbraw/zinc/70/52/45/522705245.db2.gz	YJJWXCVXDKIKHT-UHFFFAOYSA-N	0	3	273.376	2.031	10	30		CEEEHN
COCC1CCN([C@H](C)C[C@](C)(C#N)NC(C)C)CC1	ZINC000068616645	522938245	/nfs/dbraw/zinc/93/82/45/522938245.db2.gz	XTUZPOWSEDCTSM-GDBMZVCRSA-N	0	3	281.444	2.404	10	30		CEEEHN
CC[C@H]1CCC[C@H](NC(=O)c2cncc(C#CCN)c2)C1	ZINC000068594059	523139738	/nfs/dbraw/zinc/13/97/38/523139738.db2.gz	FWUUZCZJJDKMDO-BBRMVZONSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC[C@H](C#N)Oc1ccc(OC)cc1CNCCOC	ZINC000062727762	523750989	/nfs/dbraw/zinc/75/09/89/523750989.db2.gz	SPDUMNICMALDEZ-CYBMUJFWSA-N	0	3	278.352	2.112	10	30		CEEEHN
COc1ccc(CN2CC[C@@H](C)C2)cc1C#CCCO	ZINC000049613594	524036197	/nfs/dbraw/zinc/03/61/97/524036197.db2.gz	FALOFCRDPIYARI-CQSZACIVSA-N	0	3	273.376	2.271	10	30		CEEEHN
Cc1ccsc1C(=O)NCc1cccc(C#CCN)c1	ZINC000049586543	525823541	/nfs/dbraw/zinc/82/35/41/525823541.db2.gz	WZGLFWNFCUYPHP-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
C[C@H](C1CC1)N(C)Cc1ccc(C#CCO)cc1F	ZINC000049618513	526205304	/nfs/dbraw/zinc/20/53/04/526205304.db2.gz	STWIPYQQCPOOEI-GFCCVEGCSA-N	0	3	261.340	2.400	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(F)cc2C#CCN)[C@H]1C	ZINC000050568527	526267122	/nfs/dbraw/zinc/26/71/22/526267122.db2.gz	WWRDVXWZVJPQEI-STQMWFEESA-N	0	3	288.366	2.397	10	30		CEEEHN
NCC#Cc1cc(COc2ccc(CO)cc2)ccc1F	ZINC000049611150	527147153	/nfs/dbraw/zinc/14/71/53/527147153.db2.gz	WSVNVICILBCQER-UHFFFAOYSA-N	0	3	285.318	2.207	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)Cc2ccccn2)c1	ZINC000061691953	527150216	/nfs/dbraw/zinc/15/02/16/527150216.db2.gz	MTQWOQQBGMQWTF-UHFFFAOYSA-N	0	3	299.761	2.226	10	30		CEEEHN
Cc1ncsc1C(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049586950	527475131	/nfs/dbraw/zinc/47/51/31/527475131.db2.gz	GROUYSICPIUHCD-UHFFFAOYSA-N	0	3	299.399	2.034	10	30		CEEEHN
CN[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1=O	ZINC000088191979	536415253	/nfs/dbraw/zinc/41/52/53/536415253.db2.gz	LNGKNMBFXPGHEH-LBPRGKRZSA-N	0	3	297.280	2.292	10	30		CEEEHN
COC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1	ZINC000171482392	639719561	/nfs/dbraw/zinc/71/95/61/639719561.db2.gz	JBGOSIUDUFUBCB-NXEZZACHSA-N	0	3	258.277	2.287	10	30		CEEEHN
C#CCCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000180666573	641474308	/nfs/dbraw/zinc/47/43/08/641474308.db2.gz	FRYLUYXJELYZCP-HNNXBMFYSA-N	0	3	287.407	2.220	10	30		CEEEHN
CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C	ZINC000158825149	344452507	/nfs/dbraw/zinc/45/25/07/344452507.db2.gz	ZFXVKZHMNUPEOL-OAHLLOKOSA-N	0	3	294.420	2.356	10	30		CEEEHN
C=C[C@H](CCOC)NCCOc1ccccc1OC	ZINC000584620592	344966895	/nfs/dbraw/zinc/96/68/95/344966895.db2.gz	WSLYYLGAZUBWAS-CYBMUJFWSA-N	0	3	265.353	2.255	10	30		CEEEHN
CC(C)(C#N)CCCN1CCN(c2ccc(N)nc2)CC1	ZINC000087599507	534982688	/nfs/dbraw/zinc/98/26/88/534982688.db2.gz	SOXOFHOIBMLCCU-UHFFFAOYSA-N	0	3	287.411	2.116	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2ccc(C#CCN)cc2)CC[C@@H]1C	ZINC000086081169	179227681	/nfs/dbraw/zinc/22/76/81/179227681.db2.gz	UOTHYVLJBKRWEI-WOSRLPQWSA-N	0	3	270.376	2.161	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2cc(F)ccc2C#CCN)[C@@H]1C	ZINC000086081148	179227352	/nfs/dbraw/zinc/22/73/52/179227352.db2.gz	CVAKZXXMOYJEQX-XHBSWPGZSA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2cccc(C#CCN)c2)CC[C@@H]1C	ZINC000086081145	179227530	/nfs/dbraw/zinc/22/75/30/179227530.db2.gz	YZQRJEVCKNSPLN-WOSRLPQWSA-N	0	3	270.376	2.161	10	30		CEEEHN
COc1ccc(C#CCN)cc1CS[C@@H](C)CCO	ZINC000091266347	180117038	/nfs/dbraw/zinc/11/70/38/180117038.db2.gz	DNHZFANPUSOGHL-LBPRGKRZSA-N	0	3	279.405	2.010	10	30		CEEEHN
Cc1ccc(F)cc1NC(=O)c1ccncc1C#CCN	ZINC000091461045	180161557	/nfs/dbraw/zinc/16/15/57/180161557.db2.gz	YBENBIGGGREHJT-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCCCC[C@@H](C)NC(=O)c1ccncc1C#CCN	ZINC000091462152	180162145	/nfs/dbraw/zinc/16/21/45/180162145.db2.gz	CBOQLFLAATUPMT-CYBMUJFWSA-N	0	3	273.380	2.090	10	30		CEEEHN
CC(C)(C)CC(C)(C)NC(=O)c1ccncc1C#CCN	ZINC000091462647	180162603	/nfs/dbraw/zinc/16/26/03/180162603.db2.gz	WIKNILMAVRUDDD-UHFFFAOYSA-N	0	3	287.407	2.336	10	30		CEEEHN
CC[C@@H]1CCC[C@@H](NC(=O)c2ccncc2C#CCN)C1	ZINC000091463583	180162723	/nfs/dbraw/zinc/16/27/23/180162723.db2.gz	BIVHYDUCTSYBRB-UKRRQHHQSA-N	0	3	285.391	2.090	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000105676589	186068101	/nfs/dbraw/zinc/06/81/01/186068101.db2.gz	IZLQURTTXVZPPG-SNVBAGLBSA-N	0	3	252.745	2.293	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1c(F)cccc1Cl	ZINC000105676570	186068021	/nfs/dbraw/zinc/06/80/21/186068021.db2.gz	YHSWFDWZZHIKCR-UHFFFAOYSA-N	0	3	270.735	2.213	10	30		CEEEHN
Cc1cc(NC(=O)c2ccc(C#CCN)c(F)c2)ccn1	ZINC000092365928	180369217	/nfs/dbraw/zinc/36/92/17/180369217.db2.gz	IYQBYRSPNNZGGR-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C=CCNCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C	ZINC000092473759	180392803	/nfs/dbraw/zinc/39/28/03/180392803.db2.gz	JNKKRFNTIYVENY-STQMWFEESA-N	0	3	252.402	2.483	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1	ZINC000092474559	180393646	/nfs/dbraw/zinc/39/36/46/180393646.db2.gz	ZSAAXYKTLMYEQR-AAEUAGOBSA-N	0	3	262.353	2.137	10	30		CEEEHN
NCC#Cc1cc(COc2ccccc2CO)ccc1F	ZINC000110994494	186341555	/nfs/dbraw/zinc/34/15/55/186341555.db2.gz	SSEXKPGTEZZBIT-UHFFFAOYSA-N	0	3	285.318	2.207	10	30		CEEEHN
NCC#Cc1ccc(COc2ccccc2CO)c(F)c1	ZINC000110994487	186340763	/nfs/dbraw/zinc/34/07/63/186340763.db2.gz	SIANRTMHGJIOAF-UHFFFAOYSA-N	0	3	285.318	2.207	10	30		CEEEHN
C=CCC(CC=C)C(=O)N[C@H]1CCCN(CC)C1	ZINC000131216846	366032979	/nfs/dbraw/zinc/03/29/79/366032979.db2.gz	ULWOULMXZOYRLY-AWEZNQCLSA-N	0	3	250.386	2.355	10	30		CEEEHN
N#Cc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1	ZINC000105801982	283148203	/nfs/dbraw/zinc/14/82/03/283148203.db2.gz	NITFRHAOQHCAHA-INIZCTEOSA-N	0	3	293.374	2.107	10	30		CEEEHN
N#Cc1ccc(CN[C@@H]2CCCCC[C@H]2O)c(F)c1	ZINC000135701952	366468893	/nfs/dbraw/zinc/46/88/93/366468893.db2.gz	FTLJJHMKWJKSIH-HUUCEWRRSA-N	0	3	262.328	2.481	10	30		CEEEHN
N#CCc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1	ZINC000335293772	364679625	/nfs/dbraw/zinc/67/96/25/364679625.db2.gz	OJCPRTCLAIDOMK-QGZVFWFLSA-N	0	3	269.392	2.423	10	30		CEEEHN
C#CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1	ZINC000120734952	365468014	/nfs/dbraw/zinc/46/80/14/365468014.db2.gz	BYSBUPOTPIMJSY-GDBMZVCRSA-N	0	3	298.386	2.007	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1	ZINC000171601581	367576045	/nfs/dbraw/zinc/57/60/45/367576045.db2.gz	AIUULWONMCGOLL-INIZCTEOSA-N	0	3	281.363	2.062	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NCc1nc(C#N)cs1	ZINC000352833196	220264463	/nfs/dbraw/zinc/26/44/63/220264463.db2.gz	GYMKYJLZWPZOGM-LLVKDONJSA-N	0	3	266.414	2.081	10	30		CEEEHN
COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@H]1C=CC(=O)C3	ZINC000022066929	394474374	/nfs/dbraw/zinc/47/43/74/394474374.db2.gz	SLJDAVMWFVYEFI-SUNYJGFJSA-N	0	3	299.370	2.044	10	30		CEEEHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cccs1	ZINC000182560739	395245631	/nfs/dbraw/zinc/24/56/31/395245631.db2.gz	KRZVCQMOGCEUDM-NEPJUHHUSA-N	0	3	279.409	2.407	10	30		CEEEHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O	ZINC000181548843	395219621	/nfs/dbraw/zinc/21/96/21/395219621.db2.gz	COLTYJCHYXZGFA-UHFFFAOYSA-N	0	3	264.325	2.354	10	30		CEEEHN
C[C@H](c1ccccc1)[C@@H](N)CC(=O)N1CCC[C@@H]1C#N	ZINC000206017178	395473701	/nfs/dbraw/zinc/47/37/01/395473701.db2.gz	TXWNWQCDGRBOSR-YUELXQCFSA-N	0	3	271.364	2.022	10	30		CEEEHN
CC[C@@H](C)CN(C)Cc1ccc(/C(N)=N/O)cc1F	ZINC000037173304	173007590	/nfs/dbraw/zinc/00/75/90/173007590.db2.gz	ZNSPXQYWSXZLNG-SNVBAGLBSA-N	0	3	267.348	2.398	10	30		CEEEHN
CC(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000037385956	173169233	/nfs/dbraw/zinc/16/92/33/173169233.db2.gz	KTLALDTUVIHPGA-UHFFFAOYSA-N	0	3	251.717	2.148	10	30		CEEEHN
C=CCOc1ccccc1CNCCCC(=O)OC	ZINC000037416383	173193302	/nfs/dbraw/zinc/19/33/02/173193302.db2.gz	CTZAASSVQGVEGU-UHFFFAOYSA-N	0	3	263.337	2.294	10	30		CEEEHN
CCO[C@H]1CCCN(Cc2ccc(C#CCCO)s2)C1	ZINC000043679884	175090682	/nfs/dbraw/zinc/09/06/82/175090682.db2.gz	GLANDXNWMKBFBK-AWEZNQCLSA-N	0	3	293.432	2.483	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN(CC)C[C@@H]1CCCO1	ZINC000045182067	175325431	/nfs/dbraw/zinc/32/54/31/175325431.db2.gz	BBPGVGIYHGSTNQ-LSDHHAIUSA-N	0	3	267.417	2.159	10	30		CEEEHN
CC[C@@H]1CO[C@H](C)CN1CCCC[C@@](C)(C#N)NC	ZINC000045318305	175358855	/nfs/dbraw/zinc/35/88/55/175358855.db2.gz	HKCRVQICCNNDHY-KFWWJZLASA-N	0	3	267.417	2.158	10	30		CEEEHN
CCN(CC)CCN[C@@]1(C#N)CCO[C@](C)(CC)C1	ZINC000070367271	175896618	/nfs/dbraw/zinc/89/66/18/175896618.db2.gz	UMSDRQGXZRMGEN-CABCVRRESA-N	0	3	267.417	2.159	10	30		CEEEHN
CC(C)[C@@H]1CCCN(CC(=O)N(C)CCC#N)CC1	ZINC000071029253	176021984	/nfs/dbraw/zinc/02/19/84/176021984.db2.gz	KOCYDERHEIVINJ-CQSZACIVSA-N	0	3	265.401	2.117	10	30		CEEEHN
CC(C)N[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O	ZINC000071039536	176027302	/nfs/dbraw/zinc/02/73/02/176027302.db2.gz	BUKVJLUHYSPKOB-ZDUSSCGKSA-N	0	3	277.755	2.315	10	30		CEEEHN
CCCN[C@@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O	ZINC000071041630	176028104	/nfs/dbraw/zinc/02/81/04/176028104.db2.gz	NRVDYBWOFLKPEI-CQSZACIVSA-N	0	3	275.327	2.192	10	30		CEEEHN
C[C@H]1CCC[C@@H]1NC(=O)c1cc(C#CCN)ccc1F	ZINC000071210982	176083085	/nfs/dbraw/zinc/08/30/85/176083085.db2.gz	HHJLDNBINKPUMF-NHYWBVRUSA-N	0	3	274.339	2.054	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)c2ccc(Cl)o2)c1	ZINC000071322448	176123092	/nfs/dbraw/zinc/12/30/92/176123092.db2.gz	VUFPGHRILCITEG-UHFFFAOYSA-N	0	3	294.763	2.235	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2cccc(F)c2)s1	ZINC000071322957	176123194	/nfs/dbraw/zinc/12/31/94/176123194.db2.gz	DYDXURSMUQHLLN-UHFFFAOYSA-N	0	3	288.347	2.127	10	30		CEEEHN
CC(C)CCC(=O)NCc1ccc(C#CCN)s1	ZINC000071322747	176123313	/nfs/dbraw/zinc/12/33/13/176123313.db2.gz	XHPKAJAADPHRSN-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
Cc1sc(=O)n(Cc2ccc(F)c(C#CCN)c2)c1C	ZINC000071351744	176135003	/nfs/dbraw/zinc/13/50/03/176135003.db2.gz	GSCZOHMEDXFQKJ-UHFFFAOYSA-N	0	3	290.363	2.024	10	30		CEEEHN
CN(C)c1cccc2c1C(=O)N(C1CCC(O)CC1)C2C#N	ZINC000071679318	176244111	/nfs/dbraw/zinc/24/41/11/176244111.db2.gz	PNFYCQRCKLDQET-KOHJWAIASA-N	0	3	299.374	2.077	10	30		CEEEHN
CC1(C)CN(c2cc(C#N)c3ccccc3n2)CCN1	ZINC000212710269	273584864	/nfs/dbraw/zinc/58/48/64/273584864.db2.gz	HOADVKOWOXRRAN-UHFFFAOYSA-N	0	3	266.348	2.295	10	30		CEEEHN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000249284295	280391076	/nfs/dbraw/zinc/39/10/76/280391076.db2.gz	OQIXSEBXQUVBAE-IIDMSEBBSA-N	0	3	299.418	2.272	10	30		CEEEHN
Cc1cc(N2CCN(CC(C)C)CC2)c(C#N)c(C)n1	ZINC000156575188	280558476	/nfs/dbraw/zinc/55/84/76/280558476.db2.gz	WQIMWCNVGPMMEZ-UHFFFAOYSA-N	0	3	272.396	2.348	10	30		CEEEHN
C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)N(C)C1CC1	ZINC000329487927	298245700	/nfs/dbraw/zinc/24/57/00/298245700.db2.gz	XZWRPWGDXIFMJP-PWSUYJOCSA-N	0	3	293.367	2.313	10	30		CEEEHN
C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H]1CCCN1CC	ZINC000177703693	329189470	/nfs/dbraw/zinc/18/94/70/329189470.db2.gz	UYUATFTVFYXVOS-JKSUJKDBSA-N	0	3	295.471	2.216	10	30		CEEEHN
C=C[C@](C)(CC)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000135112486	334115901	/nfs/dbraw/zinc/11/59/01/334115901.db2.gz	HIVXONJWMPSKFY-KCQAQPDRSA-N	0	3	252.402	2.434	10	30		CEEEHN
CC(C)CN1CCN(CCC[C@](C)(C#N)NC(C)C)CC1	ZINC000055081122	519726235	/nfs/dbraw/zinc/72/62/35/519726235.db2.gz	XFWPDIBMZGMFMA-QGZVFWFLSA-N	0	3	294.487	2.320	10	30		CEEEHN
C=C[C@@H](C)Oc1cc(OC)ccc1CNCCOC	ZINC000062733332	519294588	/nfs/dbraw/zinc/29/45/88/519294588.db2.gz	VWXZZGJFHLRUFW-GFCCVEGCSA-N	0	3	265.353	2.385	10	30		CEEEHN
CC(C)CC(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587146	519601699	/nfs/dbraw/zinc/60/16/99/519601699.db2.gz	XUUWUMQKJNHWTN-CYBMUJFWSA-N	0	3	258.365	2.220	10	30		CEEEHN
CC(C)CCC(=O)NCc1ccc(C#CCN)cc1	ZINC000049586256	519636048	/nfs/dbraw/zinc/63/60/48/519636048.db2.gz	OCTSODGWJSYQEF-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN1CCN([C@H](C)CC)CC1	ZINC000055069989	520031512	/nfs/dbraw/zinc/03/15/12/520031512.db2.gz	UXMHLNZMCGFMGU-HZPDHXFCSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N1CCN([C@@H](C)CC)CC1	ZINC000068614986	520032873	/nfs/dbraw/zinc/03/28/73/520032873.db2.gz	GATUIHQXWVJPFO-GVDBMIGSSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCOC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000054824405	520932144	/nfs/dbraw/zinc/93/21/44/520932144.db2.gz	FBIABURFRAODDN-TZMCWYRMSA-N	0	3	279.384	2.279	10	30		CEEEHN
CN(C)C[C@@H]1CCCN1C(=O)C1(C#N)CCCCCC1	ZINC000061645844	521828300	/nfs/dbraw/zinc/82/83/00/521828300.db2.gz	UVMJWCYRBGQGGS-AWEZNQCLSA-N	0	3	277.412	2.403	10	30		CEEEHN
CC[C@H](C)[C@H](C)NC(=O)c1cc(F)ccc1C#CCN	ZINC000049105824	521933394	/nfs/dbraw/zinc/93/33/94/521933394.db2.gz	INEYBSSHSHRKFS-RYUDHWBXSA-N	0	3	276.355	2.300	10	30		CEEEHN
COc1ccc(C#CCN)cc1COC1CCCC1	ZINC000049610334	523513785	/nfs/dbraw/zinc/51/37/85/523513785.db2.gz	FNKNRTWWHKZPBA-UHFFFAOYSA-N	0	3	259.349	2.465	10	30		CEEEHN
CC[C@H](C#N)Oc1cc(OC)ccc1CNCCOC	ZINC000062733341	523751200	/nfs/dbraw/zinc/75/12/00/523751200.db2.gz	QANJVRPOODYCCW-CYBMUJFWSA-N	0	3	278.352	2.112	10	30		CEEEHN
CN(C(=O)[C@H](CN)c1ccccc1)c1cccc(C#N)c1	ZINC000061980743	523905482	/nfs/dbraw/zinc/90/54/82/523905482.db2.gz	CRHWOBNKVSWAAP-MRXNPFEDSA-N	0	3	279.343	2.264	10	30		CEEEHN
COc1ccc(CN2CCC[C@H]2C)cc1C#CCO	ZINC000049615238	524030112	/nfs/dbraw/zinc/03/01/12/524030112.db2.gz	STGPKOIYYDELAV-CYBMUJFWSA-N	0	3	259.349	2.023	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccccc2C#CCN)[C@H]1C	ZINC000050568516	526267421	/nfs/dbraw/zinc/26/74/21/526267421.db2.gz	NUOTYXMBNZHEGS-KBPBESRZSA-N	0	3	270.376	2.257	10	30		CEEEHN
N#Cc1ccc(F)c(CNCCN2CCCCC2)c1	ZINC000049575195	526638934	/nfs/dbraw/zinc/63/89/34/526638934.db2.gz	WHZJMAKNYRRWSN-UHFFFAOYSA-N	0	3	261.344	2.273	10	30		CEEEHN
NCC#Cc1ccc(C(=O)N2Cc3ccccc3C2)s1	ZINC000050913633	527148644	/nfs/dbraw/zinc/14/86/44/527148644.db2.gz	PCZRJHSTWZFCBQ-UHFFFAOYSA-N	0	3	282.368	2.214	10	30		CEEEHN
O=C1C[C@@]23CCCN2CCc2cc4c(cc2C3C1=O)OCO4	ZINC000031739248	560089551	/nfs/dbraw/zinc/08/95/51/560089551.db2.gz	FDWVASNYLQYPMN-QGZVFWFLSA-N	0	3	299.326	2.048	10	30	biogenic,in-vitro	CEEEHN
CCNCC#Cc1c[nH]c2cncc(Br)c12	ZINC000725246069	539191870	/nfs/dbraw/zinc/19/18/70/539191870.db2.gz	QQKXNDVUPJXFCG-UHFFFAOYSA-N	0	3	278.153	2.286	10	30		CEEEHN
C#CCOc1ccc(Cl)cc1CNC(C)(C)CO	ZINC000045945578	362170994	/nfs/dbraw/zinc/17/09/94/362170994.db2.gz	MBJRZEKQWAAYLG-UHFFFAOYSA-N	0	3	267.756	2.213	10	30		CEEEHN
CC(=O)O[C@]1(C#Cc2ccccc2)CCN(C)C[C@H]1C	ZINC000584636801	344971277	/nfs/dbraw/zinc/97/12/77/344971277.db2.gz	DYGLEMPSQGOBFF-RHSMWYFYSA-N	0	3	271.360	2.312	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N(CCOC)C1CC1	ZINC000084293573	178846193	/nfs/dbraw/zinc/84/61/93/178846193.db2.gz	OQRWNMMTOIKYGK-ZFWWWQNUSA-N	0	3	267.417	2.158	10	30		CEEEHN
CC(C)[C@H](CN(C)C)Nc1c(C#N)nnc2ccccc21	ZINC000085920278	179199194	/nfs/dbraw/zinc/19/91/94/179199194.db2.gz	AJFNIKKRNGUOPE-HNNXBMFYSA-N	0	3	283.379	2.500	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2sccc2C#CCN)[C@@H]1C	ZINC000086081136	179227411	/nfs/dbraw/zinc/22/74/11/179227411.db2.gz	UVVLNOLUQJNRFR-NQBHXWOUSA-N	0	3	276.405	2.223	10	30		CEEEHN
N#CC1(c2ccccc2)CC(NCCN2CCCC2)C1	ZINC000086036359	179221409	/nfs/dbraw/zinc/22/14/09/179221409.db2.gz	LRNKDKUVNGRQRS-UHFFFAOYSA-N	0	3	269.392	2.296	10	30		CEEEHN
CC(C)N[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1=O	ZINC000086115376	179234281	/nfs/dbraw/zinc/23/42/81/179234281.db2.gz	UQIBXQGACJTVGE-GFCCVEGCSA-N	0	3	277.755	2.315	10	30		CEEEHN
CC(C)c1ccc([C@H](C)NCC(=O)NCC#N)cc1	ZINC000066472876	362867667	/nfs/dbraw/zinc/86/76/67/362867667.db2.gz	ODWGZPZPFQUUAB-LBPRGKRZSA-N	0	3	259.353	2.100	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)Nc1nccs1	ZINC000087747651	179480539	/nfs/dbraw/zinc/48/05/39/179480539.db2.gz	RBJASPAAEPMPHK-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
Cc1c(C#CCN)cccc1C(=O)N(C)Cc1ccoc1	ZINC000088443827	179603498	/nfs/dbraw/zinc/60/34/98/179603498.db2.gz	MWUCCCSSVPQGKN-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
C[C@@H](OCc1ccccc1C#CCN)C(F)(F)F	ZINC000090673673	180021706	/nfs/dbraw/zinc/02/17/06/180021706.db2.gz	AVFBMDCCODEODM-SNVBAGLBSA-N	0	3	257.255	2.464	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)[C@@H]2Cc3ccccc32)c1	ZINC000090985725	180081015	/nfs/dbraw/zinc/08/10/15/180081015.db2.gz	SQWQTUGQWZDCOV-MRXNPFEDSA-N	0	3	296.395	2.014	10	30		CEEEHN
CN(C(=O)c1ccncc1C#CCN)C1CCCCCC1	ZINC000091461454	180161459	/nfs/dbraw/zinc/16/14/59/180161459.db2.gz	UQNDCTCZBCUETM-UHFFFAOYSA-N	0	3	285.391	2.187	10	30		CEEEHN
CSC1(C#N)CCN([C@@H]2CCCC[C@@H]2O)CC1	ZINC000091471814	180165342	/nfs/dbraw/zinc/16/53/42/180165342.db2.gz	OBDRRSOEUJHSGJ-NEPJUHHUSA-N	0	3	254.399	2.011	10	30		CEEEHN
Cc1ncccc1NC(=O)c1ccc(C#CCN)cc1F	ZINC000091497939	180173194	/nfs/dbraw/zinc/17/31/94/180173194.db2.gz	WSGHOCVWWIZVKC-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCc1ccc(C(=O)NCc2cc(C#CCN)cs2)o1	ZINC000091775645	180252028	/nfs/dbraw/zinc/25/20/28/180252028.db2.gz	BYQGHIMKGONVDG-UHFFFAOYSA-N	0	3	288.372	2.144	10	30		CEEEHN
CCN(CC)C(=O)Nc1ccc(C#CCN)c(F)c1	ZINC000091962407	180293188	/nfs/dbraw/zinc/29/31/88/180293188.db2.gz	IDQBXSGXUNZVPS-UHFFFAOYSA-N	0	3	263.316	2.010	10	30		CEEEHN
CN1CCC[C@@](O)([C@]2(C#N)CCc3ccccc32)CC1	ZINC000091888333	180280766	/nfs/dbraw/zinc/28/07/66/180280766.db2.gz	VPRAJOIPOHSABV-IRXDYDNUSA-N	0	3	270.376	2.241	10	30		CEEEHN
C[C@@H]1CN(Cc2ccc(F)cc2C#CCO)C[C@H]1C	ZINC000092087036	180321327	/nfs/dbraw/zinc/32/13/27/180321327.db2.gz	CRZWUMMVOFYYHD-CHWSQXEVSA-N	0	3	261.340	2.257	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@H](C)c1ccccc1F	ZINC000092474649	180394191	/nfs/dbraw/zinc/39/41/91/180394191.db2.gz	YKMXRPJBWSVUPR-LLVKDONJSA-N	0	3	250.317	2.121	10	30		CEEEHN
C=CCC(CC=C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C	ZINC000133537043	366234161	/nfs/dbraw/zinc/23/41/61/366234161.db2.gz	ZWHSHYDGMNVFJT-DZGCQCFKSA-N	0	3	262.397	2.450	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1C#N	ZINC000118907466	365189283	/nfs/dbraw/zinc/18/92/83/365189283.db2.gz	SXGAABYSBPBAKQ-CQSZACIVSA-N	0	3	288.351	2.387	10	30		CEEEHN
C=CCC[C@H](O)CN1CCC[C@@H](n2cc(C)cn2)C1	ZINC000247684125	371135039	/nfs/dbraw/zinc/13/50/39/371135039.db2.gz	ZXXGEIMKBSPAGM-CABCVRRESA-N	0	3	263.385	2.156	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@H]2CCCO)cc1F	ZINC000361704336	372031303	/nfs/dbraw/zinc/03/13/03/372031303.db2.gz	CHVMKFKJMPYUNU-AWEZNQCLSA-N	0	3	262.328	2.434	10	30		CEEEHN
O[C@@H]1CC[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2C1	ZINC000398746580	375352986	/nfs/dbraw/zinc/35/29/86/375352986.db2.gz	SMSCRGMXZMXYHX-BRWVUGGUSA-N	0	3	255.361	2.131	10	30		CEEEHN
C=CCN(Cc1cccs1)C(=O)[C@@H](N)CCC	ZINC000236794430	394487663	/nfs/dbraw/zinc/48/76/63/394487663.db2.gz	BOFQGDJFSCTSFD-LBPRGKRZSA-N	0	3	252.383	2.390	10	30		CEEEHN
C[C@H]1CN2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000252962368	394575532	/nfs/dbraw/zinc/57/55/32/394575532.db2.gz	OYDCXCHXAJWDBL-FZMZJTMJSA-N	0	3	286.335	2.139	10	30		CEEEHN
CN(C)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1	ZINC000359669637	394769916	/nfs/dbraw/zinc/76/99/16/394769916.db2.gz	GCQRTUASIOVTPV-CABCVRRESA-N	0	3	271.364	2.170	10	30		CEEEHN
CC[C@H]1CN(CC(C)(C)CCC#N)CCN1CCOC	ZINC000120980327	394789514	/nfs/dbraw/zinc/78/95/14/394789514.db2.gz	JTNNBMVTLOHKPH-HNNXBMFYSA-N	0	3	281.444	2.359	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1	ZINC000177895207	395158264	/nfs/dbraw/zinc/15/82/64/395158264.db2.gz	QQSHKXNGQDKNHW-ZDUSSCGKSA-N	0	3	290.342	2.303	10	30		CEEEHN
CN(C)CCN[C@H](C#N)c1ccc(Br)cc1	ZINC000020176265	171042506	/nfs/dbraw/zinc/04/25/06/171042506.db2.gz	SDEUSIQBWVXFJC-GFCCVEGCSA-N	0	3	282.185	2.165	10	30		CEEEHN
C[C@H](NCc1ccccc1OCC#N)[C@@H]1CCCO1	ZINC000035273742	172094590	/nfs/dbraw/zinc/09/45/90/172094590.db2.gz	FGQWZFWFOALZJJ-JSGCOSHPSA-N	0	3	260.337	2.246	10	30		CEEEHN
N#CCc1ccc(O[C@@H](CN)c2ccncc2)cc1	ZINC000043355189	175022983	/nfs/dbraw/zinc/02/29/83/175022983.db2.gz	VNPAPLTYMBQSGL-HNNXBMFYSA-N	0	3	253.305	2.226	10	30		CEEEHN
CCN1CCC(N(C)C(=O)C(C#N)(CC)CC)CC1	ZINC000044767158	175249793	/nfs/dbraw/zinc/24/97/93/175249793.db2.gz	YYUVYPIHEUEVQH-UHFFFAOYSA-N	0	3	265.401	2.259	10	30		CEEEHN
CCCCCCNC(=O)c1cc(F)ccc1C#CCN	ZINC000070469045	175948710	/nfs/dbraw/zinc/94/87/10/175948710.db2.gz	BUIYKJQZIKZIQS-UHFFFAOYSA-N	0	3	276.355	2.446	10	30		CEEEHN
NCC#Cc1cncc(OCc2ccc(F)cc2F)c1	ZINC000070487738	175955125	/nfs/dbraw/zinc/95/51/25/175955125.db2.gz	NDAWTUNMBBBBLA-UHFFFAOYSA-N	0	3	274.270	2.249	10	30		CEEEHN
CCN(C)CCNc1nc2ccccc2cc1C#N	ZINC000071385908	176147341	/nfs/dbraw/zinc/14/73/41/176147341.db2.gz	KPPQSDLWZQHFIW-UHFFFAOYSA-N	0	3	254.337	2.470	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)N(CC(C)C)CC(C)C	ZINC000071552829	176196650	/nfs/dbraw/zinc/19/66/50/176196650.db2.gz	NNQMZUVHNPHYAG-CYBMUJFWSA-N	0	3	289.441	2.116	10	30		CEEEHN
N#CCc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1	ZINC000171887555	261484865	/nfs/dbraw/zinc/48/48/65/261484865.db2.gz	XBULDXDDONFBDC-OAHLLOKOSA-N	0	3	284.363	2.065	10	30		CEEEHN
C=CC[C@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C	ZINC000117034419	276909115	/nfs/dbraw/zinc/90/91/15/276909115.db2.gz	CJUQCSHPWLJARA-QWHCGFSZSA-N	0	3	255.406	2.227	10	30		CEEEHN
CCOC(=O)C1CCC(N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000336814035	330849544	/nfs/dbraw/zinc/84/95/44/330849544.db2.gz	WESOTCZVKKSBKZ-GNRIBBGQSA-N	0	3	264.369	2.390	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N1CCN(CCC)CC1	ZINC000068611226	520102828	/nfs/dbraw/zinc/10/28/28/520102828.db2.gz	OBFAVQCOMIJCPD-CVEARBPZSA-N	0	3	280.460	2.074	10	30		CEEEHN
C#CCNC(=O)COc1cc(F)ccc1[C@@H](C)NCCC	ZINC000062747365	518275929	/nfs/dbraw/zinc/27/59/29/518275929.db2.gz	GBBJVMMIGDPQDK-GFCCVEGCSA-N	0	3	292.354	2.015	10	30		CEEEHN
C#CCNC(=O)[C@H](C)N[C@@H](CCC)c1cccs1	ZINC000049544661	518284011	/nfs/dbraw/zinc/28/40/11/518284011.db2.gz	JRZVRCYCROLBBD-RYUDHWBXSA-N	0	3	264.394	2.317	10	30		CEEEHN
CC(C)NC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061692058	519712534	/nfs/dbraw/zinc/71/25/34/519712534.db2.gz	IZYKHXHYEYRTDW-UHFFFAOYSA-N	0	3	265.744	2.180	10	30		CEEEHN
CC(C)CN(CC(C)C)C(=O)c1cncc(C#CCN)c1	ZINC000049629576	519713451	/nfs/dbraw/zinc/71/34/51/519713451.db2.gz	YYPPURKWUCLAFF-UHFFFAOYSA-N	0	3	287.407	2.146	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1ccc(OC)c(C#CCN)c1	ZINC000050891005	521147021	/nfs/dbraw/zinc/14/70/21/521147021.db2.gz	CGDBJTWRAUTKKT-ZDUSSCGKSA-N	0	3	288.391	2.314	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N	ZINC000061318700	521945872	/nfs/dbraw/zinc/94/58/72/521945872.db2.gz	ITLAGBAKZJAGBG-UHFFFAOYSA-N	0	3	251.355	2.173	10	30		CEEEHN
CC[C@@H](C)N1CCN(Cc2ccc(C#CCO)s2)CC1	ZINC000055069334	522126318	/nfs/dbraw/zinc/12/63/18/522126318.db2.gz	ZWEKAMBLYVDXDH-CQSZACIVSA-N	0	3	292.448	2.008	10	30		CEEEHN
CC[C@H]1CCCC[C@H]1NC(=O)c1cncc(C#CCN)c1	ZINC000049629642	523059336	/nfs/dbraw/zinc/05/93/36/523059336.db2.gz	FOOCXHDWWBIYGY-GOEBONIOSA-N	0	3	285.391	2.090	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCCO)[C@@H]1CCSC1	ZINC000049617847	523254124	/nfs/dbraw/zinc/25/41/24/523254124.db2.gz	PISSBHQQTSXDRE-MRXNPFEDSA-N	0	3	293.407	2.497	10	30		CEEEHN
COc1ccc(C#CCCO)cc1CN1CC[C@H](C)C1	ZINC000049613592	523510659	/nfs/dbraw/zinc/51/06/59/523510659.db2.gz	WCDZKRUNIDBIFP-AWEZNQCLSA-N	0	3	273.376	2.271	10	30		CEEEHN
COCCN(C)CCNc1ccc(C#N)cc1Cl	ZINC000062791211	523613138	/nfs/dbraw/zinc/61/31/38/523613138.db2.gz	HKQQTBSCZHUWKZ-UHFFFAOYSA-N	0	3	267.760	2.202	10	30		CEEEHN
Cc1cccc(C(=O)NCc2cccc(C#CCN)c2)c1	ZINC000049586526	524199319	/nfs/dbraw/zinc/19/93/19/524199319.db2.gz	AMOQPXQVCMRXEY-UHFFFAOYSA-N	0	3	278.355	2.235	10	30		CEEEHN
Cc1cccc(CN(C)CC2(C=O)CCOCC2)c1	ZINC000052180390	524376262	/nfs/dbraw/zinc/37/62/62/524376262.db2.gz	CNMRCUYRKGDGEY-UHFFFAOYSA-N	0	3	261.365	2.423	10	30		CEEEHN
C[C@@H]1CCN(Cc2ccc(F)cc2C#CCCO)C1	ZINC000049613636	524511528	/nfs/dbraw/zinc/51/15/28/524511528.db2.gz	FJKQQHVFKLHTRD-CYBMUJFWSA-N	0	3	261.340	2.401	10	30		CEEEHN
C[C@@H](NC(=O)c1ccco1)c1ccc(C#CCN)cc1	ZINC000049586731	525357682	/nfs/dbraw/zinc/35/76/82/525357682.db2.gz	HDRQLIDRMOTFQY-GFCCVEGCSA-N	0	3	268.316	2.081	10	30		CEEEHN
Cc1ccc(OCc2cccnc2C#N)c(C#CCN)c1	ZINC000061659773	525445772	/nfs/dbraw/zinc/44/57/72/525445772.db2.gz	VQWLYNXLAQFVRC-UHFFFAOYSA-N	0	3	277.327	2.151	10	30		CEEEHN
CSc1ccc(NC(=O)c2cncc(C#CCN)c2)cc1	ZINC000049629303	526039931	/nfs/dbraw/zinc/03/99/31/526039931.db2.gz	ONELDOLTHZJWSA-UHFFFAOYSA-N	0	3	297.383	2.366	10	30		CEEEHN
C[C@@H](c1cccc(C#CCN)c1)N1CCCCC1=O	ZINC000049587788	526065169	/nfs/dbraw/zinc/06/51/69/526065169.db2.gz	DGFVXSZSWCUTLW-ZDUSSCGKSA-N	0	3	256.349	2.070	10	30		CEEEHN
NCC#Cc1ccc(C(=O)N2Cc3ccccc3C2)cc1	ZINC000050913630	527148208	/nfs/dbraw/zinc/14/82/08/527148208.db2.gz	CKYFYPYFMNHVRG-UHFFFAOYSA-N	0	3	276.339	2.153	10	30		CEEEHN
N#CCSCCCN1CCC(c2cc[nH]n2)CC1	ZINC000173877354	344497847	/nfs/dbraw/zinc/49/78/47/344497847.db2.gz	AZIZTBOYQNVDMO-UHFFFAOYSA-N	0	3	264.398	2.236	10	30		CEEEHN
C=C(Cl)CNC[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000307249480	344721112	/nfs/dbraw/zinc/72/11/12/344721112.db2.gz	JRFYFSRUJLMMQX-SECBINFHSA-N	0	3	262.781	2.489	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@@H](C)N1CCC(OCC)CC1	ZINC000084293048	178845365	/nfs/dbraw/zinc/84/53/65/178845365.db2.gz	MPDVUSYVKOVARG-HIFRSBDPSA-N	0	3	267.417	2.158	10	30		CEEEHN
C=C(Br)COc1ccc(CNC)nc1	ZINC000086790492	179334752	/nfs/dbraw/zinc/33/47/52/179334752.db2.gz	HMUWFOCBQGVTJQ-UHFFFAOYSA-N	0	3	257.131	2.088	10	30		CEEEHN
N#Cc1ccc(NC(=O)C[C@@H]2CSCCN2)cc1Cl	ZINC000091134319	180102861	/nfs/dbraw/zinc/10/28/61/180102861.db2.gz	RLYACDJGEQNENL-LLVKDONJSA-N	0	3	295.795	2.245	10	30		CEEEHN
CCc1ccccc1NC(=O)c1ccncc1C#CCN	ZINC000091461072	180161597	/nfs/dbraw/zinc/16/15/97/180161597.db2.gz	VDHLKJFNLOJIAD-UHFFFAOYSA-N	0	3	279.343	2.207	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)Nc1cccnc1C	ZINC000091497944	180173163	/nfs/dbraw/zinc/17/31/63/180173163.db2.gz	LJSNJJNVKGYGFI-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
CC(C)C1CCC(C#N)([C@@]2(O)CCN(C)C2)CC1	ZINC000091878791	180278794	/nfs/dbraw/zinc/27/87/94/180278794.db2.gz	YAQMBZPKPFMHQN-YMAMQOFZSA-N	0	3	250.386	2.409	10	30		CEEEHN
C[C@H]1CN(Cc2ccc(C#CCO)cc2F)C[C@@H]1C	ZINC000092087047	180321197	/nfs/dbraw/zinc/32/11/97/180321197.db2.gz	YNPXASZFRULLKV-STQMWFEESA-N	0	3	261.340	2.257	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@H]1c1cccc(OC)c1	ZINC000092474588	180393757	/nfs/dbraw/zinc/39/37/57/180393757.db2.gz	UHEFLSFAMMIVFV-HNNXBMFYSA-N	0	3	274.364	2.134	10	30		CEEEHN
CCCCCCCN1CCN([C@@H](C)C(N)=S)CC1	ZINC000110444304	186296177	/nfs/dbraw/zinc/29/61/77/186296177.db2.gz	DRNPNDMLASEGMW-ZDUSSCGKSA-N	0	3	271.474	2.249	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2cc(F)ccc2C#CCN)CC1	ZINC000110817764	186327058	/nfs/dbraw/zinc/32/70/58/186327058.db2.gz	DABKLFFZSDZORF-CYBMUJFWSA-N	0	3	288.366	2.398	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(C#CCN)cc2F)CC1	ZINC000110817779	186327593	/nfs/dbraw/zinc/32/75/93/186327593.db2.gz	ZQBQVNIBOGKOFD-ZDUSSCGKSA-N	0	3	288.366	2.398	10	30		CEEEHN
CC[C@H]1CN(Cc2ccc(C#N)cc2F)CCN1C	ZINC000110718615	186316585	/nfs/dbraw/zinc/31/65/85/186316585.db2.gz	DOTRHYLSAWUQCP-AWEZNQCLSA-N	0	3	261.344	2.223	10	30		CEEEHN
NCC#Cc1csc(CSc2ccncn2)c1	ZINC000111114978	186353352	/nfs/dbraw/zinc/35/33/52/186353352.db2.gz	CMQJYARZBXCBFM-UHFFFAOYSA-N	0	3	261.375	2.141	10	30		CEEEHN
C=CCC[C@@H](CN1CCCOCC1)Oc1ccnc(C)n1	ZINC000072479143	363139299	/nfs/dbraw/zinc/13/92/99/363139299.db2.gz	JGUUSYZIGBYDGF-HNNXBMFYSA-N	0	3	291.395	2.221	10	30		CEEEHN
Cc1cc(N[C@@H]2CCN(C(C)C)C2)c(C#N)c(C)n1	ZINC000301785999	201196686	/nfs/dbraw/zinc/19/66/86/201196686.db2.gz	PASSOXYLIZZELS-CYBMUJFWSA-N	0	3	258.369	2.465	10	30		CEEEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1	ZINC000172054917	367665199	/nfs/dbraw/zinc/66/51/99/367665199.db2.gz	OUCAICZZANWXFI-XJKSGUPXSA-N	0	3	283.375	2.061	10	30		CEEEHN
C[C@H]1CN2CCC[C@H]2CN1Cc1ccc(C#N)s1	ZINC000245729773	370865707	/nfs/dbraw/zinc/86/57/07/370865707.db2.gz	JMYOTCUNXMMWFA-RYUDHWBXSA-N	0	3	261.394	2.288	10	30		CEEEHN
CCN1CC[C@@H](Nc2c(C#N)nnc3ccccc32)C1	ZINC000389126188	375297726	/nfs/dbraw/zinc/29/77/26/375297726.db2.gz	DCXWDHLTIFZECP-LLVKDONJSA-N	0	3	267.336	2.008	10	30		CEEEHN
C[C@@H]1CCC[C@H](C)N1C(=O)c1csc(C#CCN)c1	ZINC000093975695	184747162	/nfs/dbraw/zinc/74/71/62/184747162.db2.gz	CZHBIGMNZSPTIM-TXEJJXNPSA-N	0	3	276.405	2.461	10	30		CEEEHN
Cc1ccccc1CCNC(=O)c1sccc1C#CCN	ZINC000094186652	184760805	/nfs/dbraw/zinc/76/08/05/184760805.db2.gz	CXPDFJPXECRSEN-UHFFFAOYSA-N	0	3	298.411	2.339	10	30		CEEEHN
CCN(CCC#N)C(=O)CN[C@@H](C)c1ccccc1C	ZINC000181534161	395219656	/nfs/dbraw/zinc/21/96/56/395219656.db2.gz	LFXOLHVFJPVAFR-AWEZNQCLSA-N	0	3	273.380	2.408	10	30		CEEEHN
N#Cc1ccccc1OCCN1CCN2CCCC[C@H]2C1	ZINC000248357865	162500981	/nfs/dbraw/zinc/50/09/81/162500981.db2.gz	PZWBVBCWCZGMAY-INIZCTEOSA-N	0	3	285.391	2.107	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@H]1CCCc2ccccc21	ZINC000035179978	172033570	/nfs/dbraw/zinc/03/35/70/172033570.db2.gz	YUMVENNITHPYPA-DOMZBBRYSA-N	0	3	258.365	2.344	10	30		CEEEHN
N#Cc1c(NC(=O)C2CCCC2)sc2c1CCNC2	ZINC000035248163	172078794	/nfs/dbraw/zinc/07/87/94/172078794.db2.gz	OFQLNYHZCZRNDV-UHFFFAOYSA-N	0	3	275.377	2.394	10	30		CEEEHN
Cc1ccc([C@H](CN)N(CCC#N)Cc2cccnc2)o1	ZINC000043363903	175024979	/nfs/dbraw/zinc/02/49/79/175024979.db2.gz	SXDGLRKFZXKVMX-HNNXBMFYSA-N	0	3	284.363	2.399	10	30		CEEEHN
NCC#Cc1csc(CN2CCO[C@H]3CCCC[C@@H]32)c1	ZINC000043689141	175096306	/nfs/dbraw/zinc/09/63/06/175096306.db2.gz	WIRMKLBMVJZCSS-HOTGVXAUSA-N	0	3	290.432	2.202	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)C2(C#N)CCCCCC2)C1	ZINC000044766544	175249333	/nfs/dbraw/zinc/24/93/33/175249333.db2.gz	YPBLOILTYQZPDF-AWEZNQCLSA-N	0	3	277.412	2.451	10	30		CEEEHN
CC(C)CN(CCN(C)C)C(=O)C1(C#N)CCCC1	ZINC000044767252	175250176	/nfs/dbraw/zinc/25/01/76/175250176.db2.gz	QCTIDKFWVCPFNW-UHFFFAOYSA-N	0	3	265.401	2.117	10	30		CEEEHN
CN[C@](C)(C#N)CCCCN1CCN(C(C)(C)C)CC1	ZINC000045318477	175359001	/nfs/dbraw/zinc/35/90/01/175359001.db2.gz	KPWZUWRAORTIAL-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
C[C@H]1CCC[C@H]1NC(=O)c1cc(C#CCN)ccc1F	ZINC000071210984	176083265	/nfs/dbraw/zinc/08/32/65/176083265.db2.gz	HHJLDNBINKPUMF-XHDPSFHLSA-N	0	3	274.339	2.054	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)C2CCCCC2)s1	ZINC000071322756	176123222	/nfs/dbraw/zinc/12/32/22/176123222.db2.gz	XFZIALYLXMHMJE-UHFFFAOYSA-N	0	3	276.405	2.255	10	30		CEEEHN
CC(C)(C)CC(=O)NCc1ccc(C#CCN)s1	ZINC000071322879	176123538	/nfs/dbraw/zinc/12/35/38/176123538.db2.gz	YEGDXAXKJXPATQ-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
C=CCNC(=O)COc1ccc(C)cc1CNC(C)C	ZINC000071406600	176155734	/nfs/dbraw/zinc/15/57/34/176155734.db2.gz	WLRLIYPVKDJLFC-UHFFFAOYSA-N	0	3	276.380	2.174	10	30		CEEEHN
CC(C)CC(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049586918	519574559	/nfs/dbraw/zinc/57/45/59/519574559.db2.gz	XCXMUJVSZWRXHA-UHFFFAOYSA-N	0	3	258.365	2.001	10	30		CEEEHN
CCCN[C@@H](C#N)CCN1CCC[C@H](OCCC)C1	ZINC000062437890	519984671	/nfs/dbraw/zinc/98/46/71/519984671.db2.gz	ACTRNYVHOHSTAY-CABCVRRESA-N	0	3	267.417	2.159	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N1CCC(COC)CC1	ZINC000068616638	520030659	/nfs/dbraw/zinc/03/06/59/520030659.db2.gz	JVWZDFSXZLXQGR-GOEBONIOSA-N	0	3	281.444	2.405	10	30		CEEEHN
CC1CCN(Cc2ccc(F)cc2C#CCO)CC1	ZINC000049615550	521026126	/nfs/dbraw/zinc/02/61/26/521026126.db2.gz	MZNJCYXTVCDXCL-UHFFFAOYSA-N	0	3	261.340	2.401	10	30		CEEEHN
CC#CCOc1ccc(CNCCOC)cc1Cl	ZINC000062730556	519345185	/nfs/dbraw/zinc/34/51/85/519345185.db2.gz	HDLZCBAPTMYWKH-UHFFFAOYSA-N	0	3	267.756	2.478	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613207	519735526	/nfs/dbraw/zinc/73/55/26/519735526.db2.gz	UFSAITGYUNGBES-NVXWUHKLSA-N	0	3	294.487	2.461	10	30		CEEEHN
CC(C)COC(=O)NCc1cc(C#CCN)ccc1F	ZINC000049587442	519750902	/nfs/dbraw/zinc/75/09/02/519750902.db2.gz	HUVKYOVFZVVTHD-UHFFFAOYSA-N	0	3	278.327	2.018	10	30		CEEEHN
CCNCc1nccn1Cc1ccc(C#N)cc1F	ZINC000051004899	520023761	/nfs/dbraw/zinc/02/37/61/520023761.db2.gz	KFBZJFOYPLAUNX-UHFFFAOYSA-N	0	3	258.300	2.052	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1ccc(F)cc1C#CCN	ZINC000050890997	521146692	/nfs/dbraw/zinc/14/66/92/521146692.db2.gz	KFZBDASWHVMDCF-LBPRGKRZSA-N	0	3	276.355	2.444	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1ccc(C#CCN)c(F)c1	ZINC000069461739	521296374	/nfs/dbraw/zinc/29/63/74/521296374.db2.gz	QZBWUVHOVGCNNM-UHFFFAOYSA-N	0	3	276.355	2.397	10	30		CEEEHN
CCN(Cc1ccc(OC)c(C#CCCO)c1)C1CC1	ZINC000049617354	521321985	/nfs/dbraw/zinc/32/19/85/521321985.db2.gz	QMZHDRUQMXQJGP-UHFFFAOYSA-N	0	3	273.376	2.413	10	30		CEEEHN
CCN(Cc1ccccc1C#CCCO)C[C@H]1CCCO1	ZINC000049613763	521376346	/nfs/dbraw/zinc/37/63/46/521376346.db2.gz	RLDWCCAWFZDXMS-GOSISDBHSA-N	0	3	287.403	2.421	10	30		CEEEHN
CCN(Cc1ccncc1)Cc1ccc(C#CCN)cc1	ZINC000049609653	521420539	/nfs/dbraw/zinc/42/05/39/521420539.db2.gz	SXXIEMJRSIQHMG-UHFFFAOYSA-N	0	3	279.387	2.414	10	30		CEEEHN
CCC(CC)C(=O)NCc1cccc(C#CCN)c1	ZINC000049586540	521497969	/nfs/dbraw/zinc/49/79/69/521497969.db2.gz	LHLYFBPUYQRDAM-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CCC(CC)CN(CC)C(=O)c1cncc(C#CCN)c1	ZINC000049629604	521519749	/nfs/dbraw/zinc/51/97/49/521519749.db2.gz	ADNSDOVFJHHGNI-UHFFFAOYSA-N	0	3	287.407	2.290	10	30		CEEEHN
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(F)cc1C#CCN	ZINC000049105807	521816580	/nfs/dbraw/zinc/81/65/80/521816580.db2.gz	OURHGXIECODPOQ-NWDGAFQWSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@@H](C)C(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049586946	521902090	/nfs/dbraw/zinc/90/20/90/521902090.db2.gz	PHCRUJJRZSYROW-CYBMUJFWSA-N	0	3	258.365	2.001	10	30		CEEEHN
CC[C@@H](C)N1CCN(CCC[C@](C)(C#N)NC(C)C)CC1	ZINC000055070155	522117915	/nfs/dbraw/zinc/11/79/15/522117915.db2.gz	UNZLFSIFHJTRMF-IAGOWNOFSA-N	0	3	294.487	2.463	10	30		CEEEHN
CC[C@H](NC(=O)c1ccccc1C#CCN)C(C)C	ZINC000049148547	522544956	/nfs/dbraw/zinc/54/49/56/522544956.db2.gz	ICNXWRKVQDCYDK-HNNXBMFYSA-N	0	3	258.365	2.161	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCCO)c1)[C@H]1CCSC1	ZINC000049617853	523238148	/nfs/dbraw/zinc/23/81/48/523238148.db2.gz	UXXSTHSBDXPWEA-HNNXBMFYSA-N	0	3	293.407	2.497	10	30		CEEEHN
CN(Cc1cccnc1)Cc1ccccc1C#CCN	ZINC000049609283	523417214	/nfs/dbraw/zinc/41/72/14/523417214.db2.gz	ZWTNDDJYTRITSO-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
CCc1c(C)nn(Cc2ccccc2C#CCN)c1C	ZINC000049610256	523715854	/nfs/dbraw/zinc/71/58/54/523715854.db2.gz	KNTWRHHWVUWPAU-UHFFFAOYSA-N	0	3	267.376	2.421	10	30		CEEEHN
CC[C@H](C)C(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587224	523835836	/nfs/dbraw/zinc/83/58/36/523835836.db2.gz	FKXNHQALBCQOEO-QWHCGFSZSA-N	0	3	258.365	2.220	10	30		CEEEHN
O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cnn2ccncc12	ZINC000329271498	534762573	/nfs/dbraw/zinc/76/25/73/534762573.db2.gz	ICSOMQQKWZYQFQ-GFCCVEGCSA-N	0	3	299.378	2.051	10	30		CEEEHN
C[C@H]1CCC[C@@H](N(C)C(=O)c2cncc(C#CCN)c2)C1	ZINC000049629613	524142401	/nfs/dbraw/zinc/14/24/01/524142401.db2.gz	CSMYRVZGSLEADW-XJKSGUPXSA-N	0	3	285.391	2.043	10	30		CEEEHN
C[C@H]1CCN(Cc2ccc(F)cc2C#CCCO)C1	ZINC000049613638	524295086	/nfs/dbraw/zinc/29/50/86/524295086.db2.gz	FJKQQHVFKLHTRD-ZDUSSCGKSA-N	0	3	261.340	2.401	10	30		CEEEHN
Cc1ccccc1C(=O)NCc1ccccc1C#CCN	ZINC000049586404	525057654	/nfs/dbraw/zinc/05/76/54/525057654.db2.gz	AQJVFSHICWKGEJ-UHFFFAOYSA-N	0	3	278.355	2.235	10	30		CEEEHN
Cc1cc(SCc2cccc(C#CCN)c2)n(C)n1	ZINC000052311597	525437579	/nfs/dbraw/zinc/43/75/79/525437579.db2.gz	ZOXZRCKNQWXDEN-UHFFFAOYSA-N	0	3	271.389	2.331	10	30		CEEEHN
Cc1ccoc1C(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049586760	525786457	/nfs/dbraw/zinc/78/64/57/525786457.db2.gz	AULRKMITEXOTKR-CYBMUJFWSA-N	0	3	282.343	2.389	10	30		CEEEHN
N#CC(C(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCCO2	ZINC000050963950	526507093	/nfs/dbraw/zinc/50/70/93/526507093.db2.gz	NYYWXFQHPIJOKS-JSGCOSHPSA-N	0	3	287.315	2.203	10	30		CEEEHN
N#CC(C(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCCO2	ZINC000050963954	526507976	/nfs/dbraw/zinc/50/79/76/526507976.db2.gz	NYYWXFQHPIJOKS-GXTWGEPZSA-N	0	3	287.315	2.203	10	30		CEEEHN
NCC#Cc1ccc(CN2CCCCCCC2=O)c(F)c1	ZINC000049610002	527148725	/nfs/dbraw/zinc/14/87/25/527148725.db2.gz	INYYBKNLYQCZLF-UHFFFAOYSA-N	0	3	288.366	2.429	10	30		CEEEHN
NCC#Cc1ccccc1CN1CCCCCCC1=O	ZINC000049610000	527153204	/nfs/dbraw/zinc/15/32/04/527153204.db2.gz	APMSBBUVYUBFIZ-UHFFFAOYSA-N	0	3	270.376	2.290	10	30		CEEEHN
CN[C@H](C)c1cc(F)c(C)cc1N1CCO[C@H](C#N)C1	ZINC000094767017	536406789	/nfs/dbraw/zinc/40/67/89/536406789.db2.gz	GMOSSAFEMDXILN-VXGBXAGGSA-N	0	3	277.343	2.143	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)/C=C/c2ccccc2C#N)C1	ZINC000193685706	640594160	/nfs/dbraw/zinc/59/41/60/640594160.db2.gz	RLRPMHRAXSECSL-SCOAYWHSSA-N	0	3	283.375	2.172	10	30		CEEEHN
C#CCCNCc1ccc(OC)c(OC)c1Cl	ZINC000070245474	641650896	/nfs/dbraw/zinc/65/08/96/641650896.db2.gz	HHOBKVSGYIBMMA-UHFFFAOYSA-N	0	3	253.729	2.470	10	30		CEEEHN
CC(C)(C)OC(=O)NCCCN[C@H]1CCC[C@@H]1C#N	ZINC000135302296	652964582	/nfs/dbraw/zinc/96/45/82/652964582.db2.gz	IZLOWAPZIZFRQM-NEPJUHHUSA-N	0	3	267.373	2.183	10	30		CEEEHN
CC(C)(C)OC(=O)NCCCN[C@H]1CCC[C@H]1C#N	ZINC000135302343	652964594	/nfs/dbraw/zinc/96/45/94/652964594.db2.gz	IZLOWAPZIZFRQM-RYUDHWBXSA-N	0	3	267.373	2.183	10	30		CEEEHN
C=C(Br)CN1C[C@H]2CCCCN2C[C@@H]1C	ZINC000124327292	365649892	/nfs/dbraw/zinc/64/98/92/365649892.db2.gz	PAFJBGQREHYWIO-NWDGAFQWSA-N	0	3	273.218	2.454	10	30		CEEEHN
N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccn1	ZINC000124604475	344315795	/nfs/dbraw/zinc/31/57/95/344315795.db2.gz	LKOXVIRYCKWPPX-BBWFWOEESA-N	0	3	285.391	2.469	10	30		CEEEHN
CN1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc21	ZINC000085920330	179199862	/nfs/dbraw/zinc/19/98/62/179199862.db2.gz	ITSBUXHBZNMRFR-GFCCVEGCSA-N	0	3	281.363	2.398	10	30		CEEEHN
N#Cc1ccc(CNC[C@H]2CCCC[C@H]2O)c(F)c1	ZINC000085986607	179211970	/nfs/dbraw/zinc/21/19/70/179211970.db2.gz	VGTRHWOAVFOVOV-UKRRQHHQSA-N	0	3	262.328	2.338	10	30		CEEEHN
N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(NN)c1	ZINC000086113038	179234411	/nfs/dbraw/zinc/23/44/11/179234411.db2.gz	VXJDATCPTJGQQV-UHFFFAOYSA-N	0	3	287.710	2.145	10	30		CEEEHN
N#Cc1ccc(Cl)cc1NC(=O)c1cc[nH]c(=NN)c1	ZINC000086113038	179234413	/nfs/dbraw/zinc/23/44/13/179234413.db2.gz	VXJDATCPTJGQQV-UHFFFAOYSA-N	0	3	287.710	2.145	10	30		CEEEHN
C=CCCC(=O)N1CCCSC[C@H]1CN1CCCC1	ZINC000090700491	180027746	/nfs/dbraw/zinc/02/77/46/180027746.db2.gz	LRNYPEVXAZSXSC-CQSZACIVSA-N	0	3	282.453	2.383	10	30		CEEEHN
N#Cc1ccc(Cl)cc1NC(=O)C[C@H]1CSCCN1	ZINC000091134798	180104152	/nfs/dbraw/zinc/10/41/52/180104152.db2.gz	DKMRNBHVWNPLQW-NSHDSACASA-N	0	3	295.795	2.245	10	30		CEEEHN
CCN(CC)C(=O)Nc1ccc(F)cc1C#CCN	ZINC000091962368	180293023	/nfs/dbraw/zinc/29/30/23/180293023.db2.gz	QZKOMCXWCIZHBA-UHFFFAOYSA-N	0	3	263.316	2.010	10	30		CEEEHN
CCN(CC)C(=O)Nc1sc2c(c1C#N)CCNC2	ZINC000091962021	180293185	/nfs/dbraw/zinc/29/31/85/180293185.db2.gz	NSCPFEOCBUVBMZ-UHFFFAOYSA-N	0	3	278.381	2.139	10	30		CEEEHN
C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#CCN)C1	ZINC000091992466	180300366	/nfs/dbraw/zinc/30/03/66/180300366.db2.gz	ZHBKXWUYIZXOIA-LBPRGKRZSA-N	0	3	289.354	2.400	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)Nc2ccccc2C#CCN)C1	ZINC000091992395	180300537	/nfs/dbraw/zinc/30/05/37/180300537.db2.gz	HWHFMHNSPLAKBB-CYBMUJFWSA-N	0	3	271.364	2.261	10	30		CEEEHN
NCC#Cc1cc(F)ccc1CSc1cnccn1	ZINC000110914161	186332190	/nfs/dbraw/zinc/33/21/90/186332190.db2.gz	BEXPNBPXGQRMLJ-UHFFFAOYSA-N	0	3	273.336	2.218	10	30		CEEEHN
NCC#Cc1cc(CSc2cnccn2)ccc1F	ZINC000110914165	186332940	/nfs/dbraw/zinc/33/29/40/186332940.db2.gz	NBKADWZPLXVZSC-UHFFFAOYSA-N	0	3	273.336	2.218	10	30		CEEEHN
C#CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)NCC	ZINC000110960460	186336685	/nfs/dbraw/zinc/33/66/85/186336685.db2.gz	GYBBTSZLXKVBPJ-KGLIPLIRSA-N	0	3	288.391	2.182	10	30		CEEEHN
CC[C@H]1CN(CCCC[C@@](C)(C#N)NC(C)C)CCN1C	ZINC000110737339	186319440	/nfs/dbraw/zinc/31/94/40/186319440.db2.gz	YWNDRLUVFGEYML-IRXDYDNUSA-N	0	3	294.487	2.463	10	30		CEEEHN
NCC#Cc1ccccc1CSc1ccncn1	ZINC000111114967	186353708	/nfs/dbraw/zinc/35/37/08/186353708.db2.gz	BKEDNDJZSADTID-UHFFFAOYSA-N	0	3	255.346	2.079	10	30		CEEEHN
C[C@@H](C#N)CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000130987573	366011307	/nfs/dbraw/zinc/01/13/07/366011307.db2.gz	YLNHEIGGISEFMH-QWHCGFSZSA-N	0	3	281.400	2.383	10	30		CEEEHN
C=CC1CCN(C(=O)N[C@@H]2CCCN(CC)C2)CC1	ZINC000111836740	186461692	/nfs/dbraw/zinc/46/16/92/186461692.db2.gz	HCJQYYXBLRHXOC-CQSZACIVSA-N	0	3	265.401	2.078	10	30		CEEEHN
Cc1cc(C)c2c(c1)ncc(C#N)c2N1CCNCC1	ZINC000072237049	363122123	/nfs/dbraw/zinc/12/21/23/363122123.db2.gz	SSLNBVCPMKLATM-UHFFFAOYSA-N	0	3	266.348	2.133	10	30		CEEEHN
CC(C)N1C[C@H](NC(=O)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000155753590	188225246	/nfs/dbraw/zinc/22/52/46/188225246.db2.gz	DYJRVOUFOWYELT-WFASDCNBSA-N	0	3	271.364	2.017	10	30		CEEEHN
C[C@@H](CN(C)Cc1ccccc1)Nc1ncncc1C#N	ZINC000309886594	540344547	/nfs/dbraw/zinc/34/45/47/540344547.db2.gz	LIMXRNVGSULUGD-ZDUSSCGKSA-N	0	3	281.363	2.281	10	30		CEEEHN
CN(C)C[C@H](NC(=O)NCCCCC#N)c1ccccc1	ZINC000171416941	367537908	/nfs/dbraw/zinc/53/79/08/367537908.db2.gz	UMCCXVZJZMOEPH-HNNXBMFYSA-N	0	3	288.395	2.282	10	30		CEEEHN
Cc1cccc(NC[C@H]2CCN(CCCC#N)C2)n1	ZINC000195516186	370135339	/nfs/dbraw/zinc/13/53/39/370135339.db2.gz	RPHVVUJCMUXBLR-CQSZACIVSA-N	0	3	258.369	2.428	10	30		CEEEHN
C[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(C#N)c1	ZINC000261929800	371774384	/nfs/dbraw/zinc/77/43/84/371774384.db2.gz	JNLUJVJHHLZEKQ-SECBINFHSA-N	0	3	269.270	2.375	10	30		CEEEHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](N)CCC	ZINC000236794342	394487643	/nfs/dbraw/zinc/48/76/43/394487643.db2.gz	BDMIEOFQVDWALK-AWEZNQCLSA-N	0	3	291.351	2.237	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1	ZINC000048769487	394528293	/nfs/dbraw/zinc/52/82/93/394528293.db2.gz	JIBKJAFTVNGVIW-AWEZNQCLSA-N	0	3	272.352	2.164	10	30		CEEEHN
CC#CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000160277533	395060347	/nfs/dbraw/zinc/06/03/47/395060347.db2.gz	VPXVKPASYCTIFE-MJBXVCDLSA-N	0	3	278.396	2.245	10	30		CEEEHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cccs1	ZINC000182560756	395245681	/nfs/dbraw/zinc/24/56/81/395245681.db2.gz	KRZVCQMOGCEUDM-NWDGAFQWSA-N	0	3	279.409	2.407	10	30		CEEEHN
C#CCCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000192217900	395375895	/nfs/dbraw/zinc/37/58/95/395375895.db2.gz	ZYGUAOZLJSLROL-KRWDZBQOSA-N	0	3	299.418	2.165	10	30		CEEEHN
CC(C)c1nnc2n1C[C@@H](NCc1ccc(C#N)cc1)CC2	ZINC000195404937	395465826	/nfs/dbraw/zinc/46/58/26/395465826.db2.gz	ASHDBOSGOWJXPD-HNNXBMFYSA-N	0	3	295.390	2.378	10	30		CEEEHN
C[C@@H](NCC(=O)NCC#N)c1ccc2ccccc2c1	ZINC000181503566	414836400	/nfs/dbraw/zinc/83/64/00/414836400.db2.gz	CZJFVRYXARLOGB-GFCCVEGCSA-N	0	3	267.332	2.130	10	30		CEEEHN
C[C@H](N)[C@H](c1ccco1)N(CCC#N)Cc1cccnc1	ZINC000043334581	175010471	/nfs/dbraw/zinc/01/04/71/175010471.db2.gz	JLMGIBKUSXFLFT-XJKSGUPXSA-N	0	3	284.363	2.479	10	30		CEEEHN
CN(C(=O)C1(C#N)CCCCCC1)C1CCN(C)CC1	ZINC000044764921	175248646	/nfs/dbraw/zinc/24/86/46/175248646.db2.gz	VFQCBWDTPSYRNA-UHFFFAOYSA-N	0	3	277.412	2.403	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N(CCN(C)C)CC(C)C	ZINC000044767256	175250018	/nfs/dbraw/zinc/25/00/18/175250018.db2.gz	DOMLKTPOEBCVHF-UHFFFAOYSA-N	0	3	267.417	2.363	10	30		CEEEHN
CCN(C(=O)C(C#N)Cc1ccccc1)[C@H](C)COC	ZINC000044827468	175260174	/nfs/dbraw/zinc/26/01/74/175260174.db2.gz	DTYGTXSIZZTQLF-UKRRQHHQSA-N	0	3	274.364	2.252	10	30		CEEEHN
C=CCC[C@@H](CN1CCCC1)Oc1cncc(N(C)C)n1	ZINC000072408524	264268232	/nfs/dbraw/zinc/26/82/32/264268232.db2.gz	YNSLXPSYKOMGEU-AWEZNQCLSA-N	0	3	290.411	2.352	10	30		CEEEHN
CCC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N(C)C	ZINC000135133055	278917887	/nfs/dbraw/zinc/91/78/87/278917887.db2.gz	DLWBPSHYFGYREK-OAHLLOKOSA-N	0	3	273.380	2.247	10	30		CEEEHN
Cc1nc(C[C@H]2CCCN(CCCSCC#N)C2)no1	ZINC000173881968	329153428	/nfs/dbraw/zinc/15/34/28/329153428.db2.gz	LYPYYAZXTLFWPR-CYBMUJFWSA-N	0	3	294.424	2.279	10	30		CEEEHN
CCNCc1ccc([N+](=O)[O-])c(O[C@H](C#N)CC)c1	ZINC000050516908	520002324	/nfs/dbraw/zinc/00/23/24/520002324.db2.gz	FEGAQBYPFHFVIE-NSHDSACASA-N	0	3	263.297	2.385	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N(CCOC)[C@@H](C)COC	ZINC000068613293	520102179	/nfs/dbraw/zinc/10/21/79/520102179.db2.gz	QWVXOKSVWKAHNY-JYJNAYRXSA-N	0	3	299.459	2.030	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCN1CCN(CC(C)C)CC1	ZINC000055081118	520031473	/nfs/dbraw/zinc/03/14/73/520031473.db2.gz	DKZAULSSSYKTTI-QGZVFWFLSA-N	0	3	294.487	2.322	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613187	520225315	/nfs/dbraw/zinc/22/53/15/520225315.db2.gz	ARHCMDJGXNXRQV-ZBFHGGJFSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1ccc(C#CCN)cc1F	ZINC000069461759	521296888	/nfs/dbraw/zinc/29/68/88/521296888.db2.gz	ZXCXNPUOSLNEPT-UHFFFAOYSA-N	0	3	276.355	2.397	10	30		CEEEHN
COCCSCc1ccc(F)cc1C#CCN	ZINC000049611513	521778753	/nfs/dbraw/zinc/77/87/53/521778753.db2.gz	LHCVNOVOANPNSW-UHFFFAOYSA-N	0	3	253.342	2.016	10	30		CEEEHN
CC[C@H](C)[C@H](C)NC(=O)c1ccc(F)cc1C#CCN	ZINC000049105812	521933328	/nfs/dbraw/zinc/93/33/28/521933328.db2.gz	OURHGXIECODPOQ-RYUDHWBXSA-N	0	3	276.355	2.300	10	30		CEEEHN
COCC1CCN([C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068616647	522936320	/nfs/dbraw/zinc/93/63/20/522936320.db2.gz	XTUZPOWSEDCTSM-HOCLYGCPSA-N	0	3	281.444	2.404	10	30		CEEEHN
CN(CCc1ccccn1)Cc1ccccc1C#CCO	ZINC000049617043	522966517	/nfs/dbraw/zinc/96/65/17/522966517.db2.gz	ONIIQOLBANNIPE-UHFFFAOYSA-N	0	3	280.371	2.100	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCCO)c1)[C@@H]1CCSC1	ZINC000049617852	523240219	/nfs/dbraw/zinc/24/02/19/523240219.db2.gz	UXXSTHSBDXPWEA-OAHLLOKOSA-N	0	3	293.407	2.497	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1CCC[C@H](C)C1	ZINC000049616057	523516442	/nfs/dbraw/zinc/51/64/42/523516442.db2.gz	WSZDTAZOIGLSLX-AWEZNQCLSA-N	0	3	273.376	2.271	10	30		CEEEHN
CC[C@H](C#N)Oc1cc(CNCCOC)ccc1[N+](=O)[O-]	ZINC000062733400	523751062	/nfs/dbraw/zinc/75/10/62/523751062.db2.gz	BDDGLWFKUPNHRQ-GFCCVEGCSA-N	0	3	293.323	2.012	10	30		CEEEHN
CC[C@H](C)C(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049586617	523822278	/nfs/dbraw/zinc/82/22/78/523822278.db2.gz	RRTXULZFAVOSRR-ZDUSSCGKSA-N	0	3	258.365	2.001	10	30		CEEEHN
CC[C@H](C)N1CCN(Cc2cc(C#CCO)cs2)CC1	ZINC000055069323	523955121	/nfs/dbraw/zinc/95/51/21/523955121.db2.gz	XMAPICSZMQLYFH-AWEZNQCLSA-N	0	3	292.448	2.008	10	30		CEEEHN
CC[C@H](C)N1CCN(C[C@](C#N)(NC(C)C)C2CC2)CC1	ZINC000069082465	523955258	/nfs/dbraw/zinc/95/52/58/523955258.db2.gz	UGMIPXHNQFDNOG-RDJZCZTQSA-N	0	3	292.471	2.073	10	30		CEEEHN
Cc1ccc(F)c(C(=O)Nc2cccc(C#CCN)n2)c1	ZINC000052998787	524800642	/nfs/dbraw/zinc/80/06/42/524800642.db2.gz	HPQJGYOXZYEEJS-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
Cc1ccc(C(=O)N(C)Cc2ccccc2C#CCN)o1	ZINC000049586814	526063547	/nfs/dbraw/zinc/06/35/47/526063547.db2.gz	CNJFMGGHSGLNQD-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
C[C@H](c1cccc(C#CCN)c1)N1CCCCC1=O	ZINC000049587789	526071985	/nfs/dbraw/zinc/07/19/85/526071985.db2.gz	DGFVXSZSWCUTLW-CYBMUJFWSA-N	0	3	256.349	2.070	10	30		CEEEHN
Cc1nnc(SCc2ccc(C#CCN)s2)o1	ZINC000051038612	526386458	/nfs/dbraw/zinc/38/64/58/526386458.db2.gz	SCNUBAUBQBWAOD-UHFFFAOYSA-N	0	3	265.363	2.042	10	30		CEEEHN
N#Cc1cccc(NC(=O)[C@H](CN)c2ccccc2)c1	ZINC000061610838	526721714	/nfs/dbraw/zinc/72/17/14/526721714.db2.gz	DDRYLUMZFUZRMJ-OAHLLOKOSA-N	0	3	265.316	2.239	10	30		CEEEHN
NCC#Cc1csc(Cn2ncc3ccccc32)c1	ZINC000050527400	527156345	/nfs/dbraw/zinc/15/63/45/527156345.db2.gz	NHASUBUEXNZVNT-UHFFFAOYSA-N	0	3	267.357	2.456	10	30		CEEEHN
OCCC#Cc1ccccc1CN1CCCSCC1	ZINC000049615016	527531923	/nfs/dbraw/zinc/53/19/23/527531923.db2.gz	YGRMTOIPIAYXCF-UHFFFAOYSA-N	0	3	275.417	2.359	10	30		CEEEHN
C#Cc1cccc(NC(=O)N[C@H]2CCCN(CC)C2)c1	ZINC000048770444	624417116	/nfs/dbraw/zinc/41/71/16/624417116.db2.gz	LBMWEQIICNSAGX-HNNXBMFYSA-N	0	3	271.364	2.274	10	30		CEEEHN
C#C[C@H](C)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000123113445	648795858	/nfs/dbraw/zinc/79/58/58/648795858.db2.gz	OIXACPIGYRHORQ-QWRGUYRKSA-N	0	3	263.337	2.385	10	30		CEEEHN
C#C[C@@H](C)N[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000123114054	648795963	/nfs/dbraw/zinc/79/59/63/648795963.db2.gz	OIXACPIGYRHORQ-GHMZBOCLSA-N	0	3	263.337	2.385	10	30		CEEEHN
C[C@H](N)C#Cc1c[nH]c2cncc(Br)c12	ZINC000725245755	539191595	/nfs/dbraw/zinc/19/15/95/539191595.db2.gz	LVCXVBFZUBFDSY-ZETCQYMHSA-N	0	3	264.126	2.024	10	30		CEEEHN
C#CCN(CCC)[C@@H]1COc2ccc(OC)cc2C1	ZINC000038777850	343434879	/nfs/dbraw/zinc/43/48/79/343434879.db2.gz	MQBLRNGQQYSICL-AWEZNQCLSA-N	0	3	259.349	2.344	10	30		CEEEHN
COC[C@H](C)N(C)Cc1ccc(F)cc1C#CCCO	ZINC000049613854	522594278	/nfs/dbraw/zinc/59/42/78/522594278.db2.gz	CQFLSWLWOPHJQT-ZDUSSCGKSA-N	0	3	279.355	2.026	10	30		CEEEHN
C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccs1	ZINC000594426976	345626589	/nfs/dbraw/zinc/62/65/89/345626589.db2.gz	UDZADFUZMBVFKW-MNOVXSKESA-N	0	3	265.382	2.337	10	30		CEEEHN
N#C[C@H]1CCC[C@@H]1NC1CCN(CC(F)(F)F)CC1	ZINC000061892456	362696999	/nfs/dbraw/zinc/69/69/99/362696999.db2.gz	DCEXZSUFMDOMPX-PWSUYJOCSA-N	0	3	275.318	2.295	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1F	ZINC000404162555	233192615	/nfs/dbraw/zinc/19/26/15/233192615.db2.gz	QUHUJZAZRAXGBV-SOUVJXGZSA-N	0	3	274.339	2.290	10	30		CEEEHN
C=CCNC(=O)N1CCCSC[C@@H]1CN1CCCCC1	ZINC000090701798	180027789	/nfs/dbraw/zinc/02/77/89/180027789.db2.gz	SUASKTOXTLZNKQ-AWEZNQCLSA-N	0	3	297.468	2.175	10	30		CEEEHN
NCC#Cc1cccc(OC[C@H]2Cc3ccccc3O2)c1	ZINC000090876384	180051703	/nfs/dbraw/zinc/05/17/03/180051703.db2.gz	CYBNBIFGEOYXEY-QGZVFWFLSA-N	0	3	279.339	2.379	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1	ZINC000090985719	180080796	/nfs/dbraw/zinc/08/07/96/180080796.db2.gz	HNUCJPFLFAHGBH-QGZVFWFLSA-N	0	3	276.339	2.275	10	30		CEEEHN
C=CCCCOCCn1cc(CNCC(C)C)nn1	ZINC000091842385	180268864	/nfs/dbraw/zinc/26/88/64/180268864.db2.gz	JAOCLNCNIPWCPN-UHFFFAOYSA-N	0	3	266.389	2.007	10	30		CEEEHN
CCN1CCC(O)([C@@]2(C#N)CCOc3ccccc32)CC1	ZINC000091878290	180278848	/nfs/dbraw/zinc/27/88/48/180278848.db2.gz	QINJMYJWELBDCU-MRXNPFEDSA-N	0	3	286.375	2.077	10	30		CEEEHN
CCc1nn(-c2ccc(C#N)cc2)c(CC)c1CN	ZINC000092319779	180361870	/nfs/dbraw/zinc/36/18/70/180361870.db2.gz	YRJFZVVJZFGLLK-UHFFFAOYSA-N	0	3	254.337	2.327	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccc(OC(C)C)cc1	ZINC000092473773	180392823	/nfs/dbraw/zinc/39/28/23/180392823.db2.gz	ATQQXUGTBUBHFR-CYBMUJFWSA-N	0	3	276.380	2.427	10	30		CEEEHN
C=CCNCC(=O)N(CC)[C@H](C)c1cccc(O)c1	ZINC000092475093	180393767	/nfs/dbraw/zinc/39/37/67/180393767.db2.gz	VSBLEAYEBJSPET-GFCCVEGCSA-N	0	3	262.353	2.077	10	30		CEEEHN
NCC#Cc1ccccc1CSc1cnccn1	ZINC000110914140	186332947	/nfs/dbraw/zinc/33/29/47/186332947.db2.gz	JCAGEWKFAPVSOX-UHFFFAOYSA-N	0	3	255.346	2.079	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCCCN1CCN(C)[C@@H](C)C1	ZINC000110736921	186319272	/nfs/dbraw/zinc/31/92/72/186319272.db2.gz	KHTHARIKAHPHQB-HOTGVXAUSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCOCCN(CC)CC[C@](C)(C#N)NC(C)C	ZINC000111121579	186355257	/nfs/dbraw/zinc/35/52/57/186355257.db2.gz	LMAFGRKQNGRROC-CQSZACIVSA-N	0	3	255.406	2.015	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)c1nc2c(cc1C#N)CCC2	ZINC000092631253	364090237	/nfs/dbraw/zinc/09/02/37/364090237.db2.gz	BBZRPORFMSHLDW-OAHLLOKOSA-N	0	3	284.407	2.362	10	30		CEEEHN
CCn1cnnc1[C@H]1CCCN(CCCCC#N)C1	ZINC000102400674	364593303	/nfs/dbraw/zinc/59/33/03/364593303.db2.gz	QVVQZRUZYTXXLM-ZDUSSCGKSA-N	0	3	261.373	2.171	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)c2ccc(C#N)cc2C)C1	ZINC000121038064	365515418	/nfs/dbraw/zinc/51/54/18/365515418.db2.gz	KTARECGSTOANFH-AWEZNQCLSA-N	0	3	271.364	2.081	10	30		CEEEHN
Cn1cc([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)cn1	ZINC000192029310	369765502	/nfs/dbraw/zinc/76/55/02/369765502.db2.gz	YLPNVUVBLHCWMG-AWEZNQCLSA-N	0	3	284.338	2.420	10	30		CEEEHN
N#Cc1c(CN2CCN3CCCC[C@H]3C2)cn2ccccc12	ZINC000248359086	371178976	/nfs/dbraw/zinc/17/89/76/371178976.db2.gz	RNQZLSYXTKFGHR-INIZCTEOSA-N	0	3	294.402	2.481	10	30		CEEEHN
C(#Cc1ccccc1)CN1CCN2CCCC[C@H]2C1	ZINC000248892478	371266159	/nfs/dbraw/zinc/26/61/59/371266159.db2.gz	SIMBHFFXODFQQI-KRWDZBQOSA-N	0	3	254.377	2.208	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1	ZINC000253412403	371516057	/nfs/dbraw/zinc/51/60/57/371516057.db2.gz	QXNNSERHPCRFQB-DLBZAZTESA-N	0	3	293.370	2.161	10	30		CEEEHN
CN(C)[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000181506859	395218189	/nfs/dbraw/zinc/21/81/89/395218189.db2.gz	OHCBUGKFPGOMBY-HNNXBMFYSA-N	0	3	283.375	2.018	10	30		CEEEHN
CC[C@@H]1CN(CC#Cc2ccccc2)CCN1CCOC	ZINC000192001611	395370343	/nfs/dbraw/zinc/37/03/43/395370343.db2.gz	LQHOTZKHYVXPEU-GOSISDBHSA-N	0	3	286.419	2.081	10	30		CEEEHN
CCN(CCC#N)CCCCN(CC)CCC#N	ZINC000196818867	395469227	/nfs/dbraw/zinc/46/92/27/395469227.db2.gz	HDVSPRXHSJNJKZ-UHFFFAOYSA-N	0	3	250.390	2.238	10	30		CEEEHN
C=C[C@](C)(O)CN(CC)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104985148	400261959	/nfs/dbraw/zinc/26/19/59/400261959.db2.gz	ISKZIRCXSQBNNN-WBVHZDCISA-N	0	3	288.391	2.439	10	30		CEEEHN
C=CCOc1ccccc1CNCCCOCCOC	ZINC000035015578	171932924	/nfs/dbraw/zinc/93/29/24/171932924.db2.gz	NGFJGZHHBRVVBF-UHFFFAOYSA-N	0	3	279.380	2.394	10	30		CEEEHN
N#CCc1ccc(NC(=O)C2(N)CCCCC2)cc1	ZINC000037030966	172898002	/nfs/dbraw/zinc/89/80/02/172898002.db2.gz	PZMDZBAXNZASQD-UHFFFAOYSA-N	0	3	257.337	2.353	10	30		CEEEHN
N#CC(C(=O)c1ccco1)c1ccc2c(c1)OCO2	ZINC000037347458	173144294	/nfs/dbraw/zinc/14/42/94/173144294.db2.gz	SECBKGXNXIFKQO-JTQLQIEISA-N	0	3	255.229	2.498	10	30		CEEEHN
CCCO[C@@H]1CCCN(Cc2cc(C#CCN)cs2)C1	ZINC000043689067	175095660	/nfs/dbraw/zinc/09/56/60/175095660.db2.gz	AAPZOHYYYQIENX-OAHLLOKOSA-N	0	3	292.448	2.449	10	30		CEEEHN
CN1CCCC[C@H]1CNC(=O)C1(C#N)CCCCC1	ZINC000044767400	175249964	/nfs/dbraw/zinc/24/99/64/175249964.db2.gz	QVHRBMYKAHFMKO-ZDUSSCGKSA-N	0	3	263.385	2.061	10	30		CEEEHN
CCN(C(=O)C(C#N)Cc1ccccc1)[C@H](C)COC	ZINC000044827462	175260099	/nfs/dbraw/zinc/26/00/99/175260099.db2.gz	DTYGTXSIZZTQLF-HIFRSBDPSA-N	0	3	274.364	2.252	10	30		CEEEHN
CC1(NC(=O)c2ccc(C#CCN)cc2)CCCCC1	ZINC000045047649	175297272	/nfs/dbraw/zinc/29/72/72/175297272.db2.gz	QQUNHANTMFWGSK-UHFFFAOYSA-N	0	3	270.376	2.449	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN(CC)[C@@H](C)COC	ZINC000045181856	175324755	/nfs/dbraw/zinc/32/47/55/175324755.db2.gz	CSLSNIUKWQNLQL-KBPBESRZSA-N	0	3	255.406	2.015	10	30		CEEEHN
COCCN(CC[C@](C)(C#N)NC1CC1)CC(C)C	ZINC000045182044	175325774	/nfs/dbraw/zinc/32/57/74/175325774.db2.gz	UPTIINWYKLIJAK-OAHLLOKOSA-N	0	3	267.417	2.015	10	30		CEEEHN
CCN[C@](C)(C#N)CCCN1CCN(C(C)(C)C)CC1	ZINC000045318438	175358963	/nfs/dbraw/zinc/35/89/63/175358963.db2.gz	SYWDPLWHGMXPGK-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)NC1CCCCCCC1	ZINC000071541914	176195969	/nfs/dbraw/zinc/19/59/69/176195969.db2.gz	ABIDKFJUUZPZEA-GFCCVEGCSA-N	0	3	287.425	2.205	10	30		CEEEHN
C=CCCCCCN1CCN(C[C@@H](O)CC)CC1	ZINC000193362407	333248719	/nfs/dbraw/zinc/24/87/19/333248719.db2.gz	SNMNXJNRQLUICE-HNNXBMFYSA-N	0	3	254.418	2.121	10	30		CEEEHN
C=CCCC[C@@H](C)NC(=O)N1CC[C@H](N(C)C)C1	ZINC000181091118	335749939	/nfs/dbraw/zinc/74/99/39/335749939.db2.gz	BNOZQZDYDRXRJT-OLZOCXBDSA-N	0	3	253.390	2.077	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(F)cc1C#CCN	ZINC000049105809	522358239	/nfs/dbraw/zinc/35/82/39/522358239.db2.gz	OURHGXIECODPOQ-NEPJUHHUSA-N	0	3	276.355	2.300	10	30		CEEEHN
C=CCOc1c(OC)cc(CNCCOC)cc1OC	ZINC000062732857	519005659	/nfs/dbraw/zinc/00/56/59/519005659.db2.gz	JWUQDMZPXUZAEV-UHFFFAOYSA-N	0	3	281.352	2.005	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C#N)c1ccccc1	ZINC000061615025	519337829	/nfs/dbraw/zinc/33/78/29/519337829.db2.gz	MZESPNTUVIMCQO-HZPDHXFCSA-N	0	3	287.407	2.386	10	30		CEEEHN
CC(C)CCC(=O)NCc1cccc(C#CCN)c1	ZINC000049586481	519636124	/nfs/dbraw/zinc/63/61/24/519636124.db2.gz	LRFYLHVNRUAMGH-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CC(C)CCC(=O)NCc1ccccc1C#CCN	ZINC000049586367	519636155	/nfs/dbraw/zinc/63/61/55/519636155.db2.gz	MDKGBHVJGCBDET-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CC(C)NCc1nccn1Cc1ccc(C#N)cc1F	ZINC000051005664	519729067	/nfs/dbraw/zinc/72/90/67/519729067.db2.gz	SKPHVHVOTKTKPE-UHFFFAOYSA-N	0	3	272.327	2.440	10	30		CEEEHN
CCC1CCN(C[C@@H](O)COc2cccc(C#N)c2)CC1	ZINC000048907988	519859196	/nfs/dbraw/zinc/85/91/96/519859196.db2.gz	APNRXVBHJKFRFA-MRXNPFEDSA-N	0	3	288.391	2.420	10	30		CEEEHN
CC(C)c1nccn1CCOc1ccc(C#CCN)cc1	ZINC000049610129	519879595	/nfs/dbraw/zinc/87/95/95/519879595.db2.gz	UTQSDVUPTGWDCB-UHFFFAOYSA-N	0	3	283.375	2.396	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@@H](C)N1CCN(C2CCCC2)CC1	ZINC000068614865	520225292	/nfs/dbraw/zinc/22/52/92/520225292.db2.gz	MWDNEQYUPAUWPX-WBVHZDCISA-N	0	3	292.471	2.217	10	30		CEEEHN
CC1(C)CCN(C(=O)c2ccc(C#CCN)c(F)c2)CC1	ZINC000061824047	520374216	/nfs/dbraw/zinc/37/42/16/520374216.db2.gz	YYKZLCLDFCHCST-UHFFFAOYSA-N	0	3	288.366	2.398	10	30		CEEEHN
CCOc1cccc(CN)c1OCc1cccnc1C#N	ZINC000061656401	521332434	/nfs/dbraw/zinc/33/24/34/521332434.db2.gz	NVCRPICFAIJRGT-UHFFFAOYSA-N	0	3	283.331	2.390	10	30		CEEEHN
CCN1CCC(N(C)C(=O)[C@H](C#N)c2ccccc2)CC1	ZINC000061615209	521556184	/nfs/dbraw/zinc/55/61/84/521556184.db2.gz	DDSAHJSYLDXBAE-MRXNPFEDSA-N	0	3	285.391	2.236	10	30		CEEEHN
CC[C@@H](C#N)Oc1ccc(CNCCOC)cc1[N+](=O)[O-]	ZINC000062730749	521801925	/nfs/dbraw/zinc/80/19/25/521801925.db2.gz	ORQVDTMNWPTRTK-LBPRGKRZSA-N	0	3	293.323	2.012	10	30		CEEEHN
CC[C@@H](C)N1CCN(c2ccc(N)cc2C#N)CC1	ZINC000055066236	522133668	/nfs/dbraw/zinc/13/36/68/522133668.db2.gz	WYKMFLQRWFTWLR-GFCCVEGCSA-N	0	3	258.369	2.061	10	30		CEEEHN
CN[C@@H]1COc2cc(OCc3cccnc3C#N)ccc21	ZINC000062804251	522400426	/nfs/dbraw/zinc/40/04/26/522400426.db2.gz	GOFAMZXFDKEHCP-OAHLLOKOSA-N	0	3	281.315	2.185	10	30		CEEEHN
CC[C@@H](NC(=O)c1cccc(C#CCN)c1)C(C)C	ZINC000049148550	522792044	/nfs/dbraw/zinc/79/20/44/522792044.db2.gz	ICNMCRJOTQTHCA-OAHLLOKOSA-N	0	3	258.365	2.161	10	30		CEEEHN
CN(Cc1ccc(C#CCCO)cc1)[C@@H]1CCSC1	ZINC000049617793	523205332	/nfs/dbraw/zinc/20/53/32/523205332.db2.gz	RAYDSZVMGPZYBX-MRXNPFEDSA-N	0	3	275.417	2.358	10	30		CEEEHN
COc1ccc(C#CCN)cc1NC(=O)c1cccs1	ZINC000049587366	523515630	/nfs/dbraw/zinc/51/56/30/523515630.db2.gz	HFEOKHCPGZPECM-UHFFFAOYSA-N	0	3	286.356	2.319	10	30		CEEEHN
CC(C#N)S(=O)(=O)c1cccc(Br)c1	ZINC000055308257	525924977	/nfs/dbraw/zinc/92/49/77/525924977.db2.gz	BOPWUWCKZOJUMD-SSDOTTSWSA-N	0	3	274.139	2.135	10	30		CEEEHN
Cc1nn(Cc2ccc(F)cc2C#CCN)c(C)c1C	ZINC000049610247	526292554	/nfs/dbraw/zinc/29/25/54/526292554.db2.gz	LOXSFVFIXJVKDU-UHFFFAOYSA-N	0	3	271.339	2.306	10	30		CEEEHN
N#Cc1cccc(OCc2ccccc2C#CCN)c1	ZINC000049610630	526729637	/nfs/dbraw/zinc/72/96/37/526729637.db2.gz	UJMSSUANIXRHOZ-UHFFFAOYSA-N	0	3	262.312	2.447	10	30		CEEEHN
C#CCCOc1ccc(CNCCn2cc(C)cn2)cc1	ZINC000113338695	526744204	/nfs/dbraw/zinc/74/42/04/526744204.db2.gz	AWJXJKFYYGJCLI-UHFFFAOYSA-N	0	3	283.375	2.383	10	30		CEEEHN
Cc1occc1C(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049586758	526811590	/nfs/dbraw/zinc/81/15/90/526811590.db2.gz	FLZCMAALVBBGNJ-GFCCVEGCSA-N	0	3	282.343	2.389	10	30		CEEEHN
NCC#Cc1cc(CN2CCCSCC2)ccc1F	ZINC000049609945	527146506	/nfs/dbraw/zinc/14/65/06/527146506.db2.gz	BYRPATLOZVTQDV-UHFFFAOYSA-N	0	3	278.396	2.075	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)c2ccccn2)c1	ZINC000061691978	527150010	/nfs/dbraw/zinc/15/00/10/527150010.db2.gz	RQDKOLKBFHWCOJ-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
NCC#Cc1cncc(C(=O)NCCC2CCCCC2)c1	ZINC000049629556	527155223	/nfs/dbraw/zinc/15/52/23/527155223.db2.gz	GOFJKQQADVKXOZ-UHFFFAOYSA-N	0	3	285.391	2.092	10	30		CEEEHN
Cn1cc(SCc2ccc(C#CCN)cc2)cn1	ZINC000049612935	527291748	/nfs/dbraw/zinc/29/17/48/527291748.db2.gz	VXBJFDOFWIJTMK-UHFFFAOYSA-N	0	3	257.362	2.023	10	30		CEEEHN
Cn1ccnc1SCc1cccc(C#CCN)c1	ZINC000049611274	527448881	/nfs/dbraw/zinc/44/88/81/527448881.db2.gz	OCPYFKZGPOZDOK-UHFFFAOYSA-N	0	3	257.362	2.023	10	30		CEEEHN
Cn1ccnc1SCc1ccccc1C#CCN	ZINC000049611268	527449530	/nfs/dbraw/zinc/44/95/30/527449530.db2.gz	RWIJXHOBKBHMEM-UHFFFAOYSA-N	0	3	257.362	2.023	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)/C=C/c2ccccc2C#N)C1	ZINC000060416613	639614483	/nfs/dbraw/zinc/61/44/83/639614483.db2.gz	RLRPMHRAXSECSL-ZNFPLGDCSA-N	0	3	283.375	2.172	10	30		CEEEHN
COC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1	ZINC000171482391	639719756	/nfs/dbraw/zinc/71/97/56/639719756.db2.gz	JBGOSIUDUFUBCB-VHSXEESVSA-N	0	3	258.277	2.287	10	30		CEEEHN
N#Cc1ccc(CN2CCN3CCCC[C@@H]3C2)s1	ZINC000121355373	365558381	/nfs/dbraw/zinc/55/83/81/365558381.db2.gz	JZTCENSHUJGJHK-GFCCVEGCSA-N	0	3	261.394	2.290	10	30		CEEEHN
CC[C@@H](C#N)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000390774174	344837804	/nfs/dbraw/zinc/83/78/04/344837804.db2.gz	LVEXLZSQSPIEJO-ZFWWWQNUSA-N	0	3	273.380	2.173	10	30		CEEEHN
N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCO[C@@H](C(F)(F)F)C1	ZINC000336787715	365806778	/nfs/dbraw/zinc/80/67/78/365806778.db2.gz	MMDDBPNFNACVIQ-ZRUFSTJUSA-N	0	3	262.275	2.378	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CCN)s2)[C@@H]1C	ZINC000086081160	179227265	/nfs/dbraw/zinc/22/72/65/179227265.db2.gz	MOSXLJYNVCAXKW-NQBHXWOUSA-N	0	3	276.405	2.223	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2cc(C#CCN)ccc2F)CC[C@@H]1C	ZINC000086081153	179227415	/nfs/dbraw/zinc/22/74/15/179227415.db2.gz	ZKYJMMCHODFACU-HWWQOWPSSA-N	0	3	288.366	2.300	10	30		CEEEHN
Cc1cc(C)cc(NC(=O)c2ccncc2C#CCN)c1	ZINC000091461043	180161390	/nfs/dbraw/zinc/16/13/90/180161390.db2.gz	RVYVEBABRZFHJM-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
CC1(C)C(C(=O)NCc2ccc(C#CCN)cc2)C1(C)C	ZINC000091493001	180170521	/nfs/dbraw/zinc/17/05/21/180170521.db2.gz	HYXXOTUJOSLIRF-UHFFFAOYSA-N	0	3	284.403	2.295	10	30		CEEEHN
CCN1CCC(O)([C@]2(C#N)CCc3ccccc32)CC1	ZINC000091878314	180278767	/nfs/dbraw/zinc/27/87/67/180278767.db2.gz	XSLJAZURCRINEC-INIZCTEOSA-N	0	3	270.376	2.241	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@@H]1c1cccs1	ZINC000105785538	186071655	/nfs/dbraw/zinc/07/16/55/186071655.db2.gz	IZLMIKCLKRLZEG-LLVKDONJSA-N	0	3	250.367	2.187	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2cc(F)ccc2C#CCN)CC1	ZINC000110817767	186327628	/nfs/dbraw/zinc/32/76/28/186327628.db2.gz	DABKLFFZSDZORF-ZDUSSCGKSA-N	0	3	288.366	2.398	10	30		CEEEHN
CC[C@@H]1CN(Cc2ccc(C#N)cc2F)CCN1C	ZINC000110718612	186315978	/nfs/dbraw/zinc/31/59/78/186315978.db2.gz	DOTRHYLSAWUQCP-CQSZACIVSA-N	0	3	261.344	2.223	10	30		CEEEHN
CN(Cc1ccc(C#CCCO)s1)C[C@@H]1CCCOC1	ZINC000111168228	186363555	/nfs/dbraw/zinc/36/35/55/186363555.db2.gz	KSACMCWNQSGDMD-AWEZNQCLSA-N	0	3	293.432	2.340	10	30		CEEEHN
C=CCC[C@@H](CN(C)C)Oc1cc(C(=O)NCC)ccn1	ZINC000072475847	363137019	/nfs/dbraw/zinc/13/70/19/363137019.db2.gz	GRRLKINVGWGZJX-AWEZNQCLSA-N	0	3	291.395	2.107	10	30		CEEEHN
CC(C)N1C[C@H](NC(=O)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000155602157	188215622	/nfs/dbraw/zinc/21/56/22/188215622.db2.gz	AOFPYTOXCKJFRQ-WFASDCNBSA-N	0	3	271.364	2.017	10	30		CEEEHN
N#CCSCCCN1CCO[C@@H]2CCCC[C@H]21	ZINC000074981856	363429525	/nfs/dbraw/zinc/42/95/25/363429525.db2.gz	GJNHDIZXIZTNOE-CHWSQXEVSA-N	0	3	254.399	2.277	10	30		CEEEHN
C[C@H]1CN(CCOc2ccc(C#N)cc2)CCS1	ZINC000134343798	366310179	/nfs/dbraw/zinc/31/01/79/366310179.db2.gz	YTJGMANXPYKQDW-LBPRGKRZSA-N	0	3	262.378	2.374	10	30		CEEEHN
C#CCN[C@H]1CCc2ccc(OC(=O)N(C)CC)cc21	ZINC000027623423	361656204	/nfs/dbraw/zinc/65/62/04/361656204.db2.gz	LHXOCOHMBFOVJS-HNNXBMFYSA-N	0	3	272.348	2.347	10	30		CEEEHN
C=CC[C@@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C	ZINC000117034424	365089047	/nfs/dbraw/zinc/08/90/47/365089047.db2.gz	CJUQCSHPWLJARA-CHWSQXEVSA-N	0	3	255.406	2.227	10	30		CEEEHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H](C)O1)C(C)C	ZINC000245964832	370894943	/nfs/dbraw/zinc/89/49/43/370894943.db2.gz	DMASGYUEHLUCGY-XHSDSOJGSA-N	0	3	294.439	2.369	10	30		CEEEHN
N#Cc1cc(CN2CCN3CCCC[C@H]3C2)ccc1F	ZINC000246420755	370959091	/nfs/dbraw/zinc/95/90/91/370959091.db2.gz	CNYDMCCALPOUED-HNNXBMFYSA-N	0	3	273.355	2.367	10	30		CEEEHN
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCSCC#N	ZINC000072514827	284189611	/nfs/dbraw/zinc/18/96/11/284189611.db2.gz	ZJIGGQAVAGKZSY-RDBSUJKOSA-N	0	3	296.436	2.439	10	30		CEEEHN
Cc1cc(NCCN2CCCCC2)c(C#N)c(C)n1	ZINC000211682604	370162947	/nfs/dbraw/zinc/16/29/47/370162947.db2.gz	GFGIJAIPTUXOBI-UHFFFAOYSA-N	0	3	258.369	2.468	10	30		CEEEHN
C#CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1	ZINC000247203895	371075291	/nfs/dbraw/zinc/07/52/91/371075291.db2.gz	BYSBUPOTPIMJSY-ZBFHGGJFSA-N	0	3	298.386	2.007	10	30		CEEEHN
C=CC1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CC1	ZINC000247444161	371108762	/nfs/dbraw/zinc/10/87/62/371108762.db2.gz	SFIHESHFRUGQFF-UKRRQHHQSA-N	0	3	279.428	2.323	10	30		CEEEHN
C=CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000248597509	371219783	/nfs/dbraw/zinc/21/97/83/371219783.db2.gz	MVUDYFNNVUHOOS-XQQFMLRXSA-N	0	3	266.385	2.408	10	30		CEEEHN
C#CCCCC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000192094952	130369897	/nfs/dbraw/zinc/36/98/97/130369897.db2.gz	AJPSZYIMOFWLEN-OAHLLOKOSA-N	0	3	258.365	2.209	10	30		CEEEHN
N#Cc1ccc(Cl)cc1N1CCC[C@H](NC2CC2)C1=O	ZINC000086115343	135038664	/nfs/dbraw/zinc/03/86/64/135038664.db2.gz	BFTTZSFFKDESMK-ZDUSSCGKSA-N	0	3	289.766	2.459	10	30		CEEEHN
N#Cc1ccccc1CN1C[C@@H]2CC[C@H](O)C[C@H]2C1	ZINC000398808121	395238442	/nfs/dbraw/zinc/23/84/42/395238442.db2.gz	UNCYWIKRTHMBSR-JYJNAYRXSA-N	0	3	256.349	2.151	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](n2cncn2)C1	ZINC000186218238	395287093	/nfs/dbraw/zinc/28/70/93/395287093.db2.gz	DKLKZAZYBVQMGX-MRXNPFEDSA-N	0	3	281.363	2.295	10	30		CEEEHN
COCCNCCNc1ccc(C(F)(F)F)c(C#N)c1	ZINC000215509994	153290242	/nfs/dbraw/zinc/29/02/42/153290242.db2.gz	ZCDKMXVQEZVKLV-UHFFFAOYSA-N	0	3	287.285	2.225	10	30		CEEEHN
CCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(C#N)c1)CC2	ZINC000181938402	165361164	/nfs/dbraw/zinc/36/11/64/165361164.db2.gz	VRQGHPIZSGWMHJ-IUODEOHRSA-N	0	3	295.390	2.378	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@H](CN)c1ccncc1	ZINC000043355164	175023137	/nfs/dbraw/zinc/02/31/37/175023137.db2.gz	OXYHRHWGDBDDLD-OAHLLOKOSA-N	0	3	269.304	2.041	10	30		CEEEHN
Cc1ccc([C@@H](CN)N(CCC#N)Cc2cccnc2)o1	ZINC000043363902	175025018	/nfs/dbraw/zinc/02/50/18/175025018.db2.gz	SXDGLRKFZXKVMX-OAHLLOKOSA-N	0	3	284.363	2.399	10	30		CEEEHN
CN(CCc1ccccn1)Cc1sccc1C#CCO	ZINC000043679291	175089516	/nfs/dbraw/zinc/08/95/16/175089516.db2.gz	IGSVOASBOKHHPK-UHFFFAOYSA-N	0	3	286.400	2.161	10	30		CEEEHN
C[C@H](CNc1ccc(N)cc1C#N)N1CCCCC1	ZINC000044989366	175285672	/nfs/dbraw/zinc/28/56/72/175285672.db2.gz	QSUUOHNIQQOZKK-GFCCVEGCSA-N	0	3	258.369	2.427	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCCN1CCN(C(C)C)CC1	ZINC000045311512	175356845	/nfs/dbraw/zinc/35/68/45/175356845.db2.gz	OYFQPXYKYHNIDY-KRWDZBQOSA-N	0	3	294.487	2.465	10	30		CEEEHN
COCCN(CCC#N)[C@@H](CN)c1ccc(Cl)s1	ZINC000071222056	176087593	/nfs/dbraw/zinc/08/75/93/176087593.db2.gz	HLXIRRWWMXOIFB-JTQLQIEISA-N	0	3	287.816	2.263	10	30		CEEEHN
C=CCCOc1c(OC)cc(CNC)cc1OC	ZINC000071274496	176106379	/nfs/dbraw/zinc/10/63/79/176106379.db2.gz	DMVREDVUSPMTGY-UHFFFAOYSA-N	0	3	251.326	2.378	10	30		CEEEHN
CCOC(=O)CCCCCN1CCN([C@@H](C#N)CC)CC1	ZINC000071297585	176112706	/nfs/dbraw/zinc/11/27/06/176112706.db2.gz	ATKPUHVLUBXACG-OAHLLOKOSA-N	0	3	295.427	2.030	10	30		CEEEHN
Cc1ccc(C(=O)NCc2cc(C#CCN)cs2)cc1	ZINC000071322225	176122765	/nfs/dbraw/zinc/12/27/65/176122765.db2.gz	ZHXVDILMOAYMSN-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)c2cccs2)c1	ZINC000071322230	176122999	/nfs/dbraw/zinc/12/29/99/176122999.db2.gz	MQCSDCIZPHTRKK-UHFFFAOYSA-N	0	3	276.386	2.050	10	30		CEEEHN
C=CCNC(=O)[C@H](C)Oc1ccc(C)cc1CNC1CC1	ZINC000071406887	176156132	/nfs/dbraw/zinc/15/61/32/176156132.db2.gz	GSSRPKZCUHSQIL-ZDUSSCGKSA-N	0	3	288.391	2.317	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)N(CCCC)CCCC	ZINC000071552970	176196750	/nfs/dbraw/zinc/19/67/50/176196750.db2.gz	HYTRLKYSJFIPHM-CYBMUJFWSA-N	0	3	289.441	2.405	10	30		CEEEHN
CN(C)c1ccc2c(c1)C(C#N)N(Cc1cccnc1)C2=O	ZINC000071679148	176244321	/nfs/dbraw/zinc/24/43/21/176244321.db2.gz	NVCICUFIRFWUKQ-INIZCTEOSA-N	0	3	292.342	2.368	10	30		CEEEHN
CN(C[C@@H]1CCN(C)C1)c1nc(C(F)(F)F)ccc1C#N	ZINC000078835854	177396146	/nfs/dbraw/zinc/39/61/46/177396146.db2.gz	COCWYSLFVLRWEP-SNVBAGLBSA-N	0	3	298.312	2.360	10	30		CEEEHN
Cc1c(CNC[C@@H]2Cc3ccccc3O2)cc(C#N)n1C	ZINC000078877648	177399731	/nfs/dbraw/zinc/39/97/31/177399731.db2.gz	WZRICPQIQBZPKM-INIZCTEOSA-N	0	3	281.359	2.299	10	30		CEEEHN
NCC#Cc1ccc(F)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000080159289	177617013	/nfs/dbraw/zinc/61/70/13/177617013.db2.gz	QFXZLZVQDFXODY-GHJWDPDVSA-N	0	3	286.350	2.054	10	30		CEEEHN
CCCC(=O)N[C@H]1CCCN(CCCCC#N)C1	ZINC000102401677	261235000	/nfs/dbraw/zinc/23/50/00/261235000.db2.gz	CJABVVWGVRPZTP-ZDUSSCGKSA-N	0	3	251.374	2.061	10	30		CEEEHN
CC[C@H]1CN(CCCC(C)(C)C#N)CCN1CCOC	ZINC000174849432	261199350	/nfs/dbraw/zinc/19/93/50/261199350.db2.gz	PSLYOVBZSICOEA-HNNXBMFYSA-N	0	3	281.444	2.359	10	30		CEEEHN
CC[C@@H](C#N)NC(=O)[C@H]1CCCCN1C1CCCC1	ZINC000370059469	267286998	/nfs/dbraw/zinc/28/69/98/267286998.db2.gz	IOYRIRNNBOSGMJ-GXTWGEPZSA-N	0	3	263.385	2.202	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(F)c1	ZINC000398988017	270365255	/nfs/dbraw/zinc/36/52/55/270365255.db2.gz	GKQTVGYBBVTFPI-CFVMTHIKSA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)c(F)c1	ZINC000424068344	330219532	/nfs/dbraw/zinc/21/95/32/330219532.db2.gz	ROEXSTPLMQHUDU-ZANVPECISA-N	0	3	281.306	2.163	10	30		CEEEHN
CC(C)(C)NCc1cc2c(cc1OCC#N)OCO2	ZINC000062733900	518763841	/nfs/dbraw/zinc/76/38/41/518763841.db2.gz	HUOZPBKRXARATQ-UHFFFAOYSA-N	0	3	262.309	2.206	10	30		CEEEHN
CCN(Cc1cccc(C#CCO)c1)C[C@H]1CCCO1	ZINC000049613781	521337607	/nfs/dbraw/zinc/33/76/07/521337607.db2.gz	HAUMQNMROWFQTL-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
CCC(CC)C(=O)NCc1ccccc1C#CCN	ZINC000049586426	521498974	/nfs/dbraw/zinc/49/89/74/521498974.db2.gz	IHMRGCRUBAWNBW-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587218	521917630	/nfs/dbraw/zinc/91/76/30/521917630.db2.gz	FKXNHQALBCQOEO-OLZOCXBDSA-N	0	3	258.365	2.220	10	30		CEEEHN
COC[C@H](C)N(C)Cc1ccc(F)c(C#CCCO)c1	ZINC000049613857	522594583	/nfs/dbraw/zinc/59/45/83/522594583.db2.gz	DRRAIJSOMBVYOB-ZDUSSCGKSA-N	0	3	279.355	2.026	10	30		CEEEHN
CN(CC1CCCCC1)C(=O)c1cncc(C#CCN)c1	ZINC000049629609	522656533	/nfs/dbraw/zinc/65/65/33/522656533.db2.gz	IZODOSKVQADENZ-UHFFFAOYSA-N	0	3	285.391	2.044	10	30		CEEEHN
CN(Cc1ccc(C#CCCO)cc1)C[C@H]1CCCO1	ZINC000049614106	523203796	/nfs/dbraw/zinc/20/37/96/523203796.db2.gz	GIEVVDDREYOVJP-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCCO)C1CCOCC1	ZINC000049613297	523253061	/nfs/dbraw/zinc/25/30/61/523253061.db2.gz	ATTYJJAZJSOAEQ-UHFFFAOYSA-N	0	3	291.366	2.170	10	30		CEEEHN
COCCN(Cc1ccnc(C#N)c1)[C@@H](C)C1CC1	ZINC000068766401	523769169	/nfs/dbraw/zinc/76/91/69/523769169.db2.gz	AXWDFLWJQCTDHY-LBPRGKRZSA-N	0	3	259.353	2.200	10	30		CEEEHN
CC[C@H](C)N1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1	ZINC000055070152	523952405	/nfs/dbraw/zinc/95/24/05/523952405.db2.gz	UNZLFSIFHJTRMF-IRXDYDNUSA-N	0	3	294.487	2.463	10	30		CEEEHN
COCCNCc1ccc(OCCCCC#N)cc1	ZINC000062729168	523952792	/nfs/dbraw/zinc/95/27/92/523952792.db2.gz	VHZFKOZXAALNKM-UHFFFAOYSA-N	0	3	262.353	2.495	10	30		CEEEHN
C[C@@H](C[C@](C)(C#N)NC1CC1)N1CCN(C(C)(C)C)CC1	ZINC000068613167	524860170	/nfs/dbraw/zinc/86/01/70/524860170.db2.gz	KTJFLADIONBBCX-WMLDXEAASA-N	0	3	292.471	2.215	10	30		CEEEHN
Cc1cc(F)ccc1NC(=O)c1cncc(C#CCN)c1	ZINC000049629370	524996735	/nfs/dbraw/zinc/99/67/35/524996735.db2.gz	JOAVBDIMWZLMGT-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C[C@@H](NC(=O)C1CCCC1)c1cccc(C#CCN)c1	ZINC000049587160	525067977	/nfs/dbraw/zinc/06/79/77/525067977.db2.gz	YPSHRQHAGXXWIC-CYBMUJFWSA-N	0	3	270.376	2.364	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)[C@H]2CCCCO2)c1	ZINC000061692030	527150562	/nfs/dbraw/zinc/15/05/62/527150562.db2.gz	IBGBODYYAGSSIS-CQSZACIVSA-N	0	3	292.766	2.158	10	30		CEEEHN
NCC#Cc1cccc(C(=O)Nc2nc3c(s2)CCC3)c1	ZINC000049549305	527152459	/nfs/dbraw/zinc/15/24/59/527152459.db2.gz	KQHRIWPNVIGSIV-UHFFFAOYSA-N	0	3	297.383	2.194	10	30		CEEEHN
Cc1ncsc1C(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587232	527481603	/nfs/dbraw/zinc/48/16/03/527481603.db2.gz	KGMPLOOQRYMEPJ-LLVKDONJSA-N	0	3	299.399	2.253	10	30		CEEEHN
COC[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1	ZINC000171482399	639719948	/nfs/dbraw/zinc/71/99/48/639719948.db2.gz	JBGOSIUDUFUBCB-ZJUUUORDSA-N	0	3	258.277	2.287	10	30		CEEEHN
C=C[C@@H](N)c1ccc(I)cc1	ZINC000095777926	185027914	/nfs/dbraw/zinc/02/79/14/185027914.db2.gz	DAYIYYVPTQAVGB-SECBINFHSA-N	0	3	259.090	2.477	10	30		CEEEHN
C#CCOC[C@@H](O)CN(Cc1ccc(C)o1)CC(C)C	ZINC000036097549	361827165	/nfs/dbraw/zinc/82/71/65/361827165.db2.gz	UJQGESKFMXESLR-HNNXBMFYSA-N	0	3	279.380	2.057	10	30		CEEEHN
C=C[C@@](C)(O)CN(CC)C[C@H]1CC(c2ccccc2)=NO1	ZINC000036146477	361831480	/nfs/dbraw/zinc/83/14/80/361831480.db2.gz	ISKZIRCXSQBNNN-NVXWUHKLSA-N	0	3	288.391	2.439	10	30		CEEEHN
C=CCOc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1	ZINC000128139368	187353472	/nfs/dbraw/zinc/35/34/72/187353472.db2.gz	CLCLMVCRTVJUPB-KRWDZBQOSA-N	0	3	290.407	2.014	10	30		CEEEHN
CN(CCCSCC=O)CCc1ccccc1	ZINC000165238867	344473660	/nfs/dbraw/zinc/47/36/60/344473660.db2.gz	PKHHTFLNYHOQKE-UHFFFAOYSA-N	0	3	251.395	2.483	10	30		CEEEHN
CN1CC=C(CNC(=O)c2ncoc2[C@H]2CCCO2)CC1	ZINC000329216485	530047170	/nfs/dbraw/zinc/04/71/70/530047170.db2.gz	ONSCFJYSQLSGAP-GFCCVEGCSA-N	0	3	291.351	2.093	10	30		CEEEHN
C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCS1	ZINC000127295486	187295268	/nfs/dbraw/zinc/29/52/68/187295268.db2.gz	KAPBCARLYJPGIF-FZMZJTMJSA-N	0	3	262.378	2.029	10	30		CEEEHN
C[C@@H](C#N)CNCCCCCCCNC[C@@H](C)C#N	ZINC000584651684	344973423	/nfs/dbraw/zinc/97/34/23/344973423.db2.gz	CKYLEPHEOONYPN-GJZGRUSLSA-N	0	3	264.417	2.435	10	30		CEEEHN
Cc1cc(C#N)cc(NCc2ccc3c(c2)CNC3)n1	ZINC000097830102	232186878	/nfs/dbraw/zinc/18/68/78/232186878.db2.gz	ANEBPNDAEURQGI-UHFFFAOYSA-N	0	3	264.332	2.477	10	30		CEEEHN
CN1CCCC[C@H]1CNc1c(C#N)nnc2ccccc21	ZINC000085920333	179199453	/nfs/dbraw/zinc/19/94/53/179199453.db2.gz	ITSBUXHBZNMRFR-LBPRGKRZSA-N	0	3	281.363	2.398	10	30		CEEEHN
N#Cc1ccc(F)c(CNC[C@@H]2CCCC[C@H]2O)c1	ZINC000085984780	179211815	/nfs/dbraw/zinc/21/18/15/179211815.db2.gz	NAKLPZZGEVMZCQ-SWLSCSKDSA-N	0	3	262.328	2.338	10	30		CEEEHN
C[C@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000086673105	179318088	/nfs/dbraw/zinc/31/80/88/179318088.db2.gz	RZEGBSLOVSGMJU-GLQYFDAESA-N	0	3	292.404	2.175	10	30		CEEEHN
N#Cc1c(NC(=O)C2(N)CC2)sc2c1CCCCC2	ZINC000088130882	179553623	/nfs/dbraw/zinc/55/36/23/179553623.db2.gz	FECJVTRYQKWFTP-UHFFFAOYSA-N	0	3	275.377	2.318	10	30		CEEEHN
C[C@H](OCc1ccc(C#CCN)cc1)C(F)(F)F	ZINC000090673668	180021815	/nfs/dbraw/zinc/02/18/15/180021815.db2.gz	BPTOBJJBISKLAX-JTQLQIEISA-N	0	3	257.255	2.464	10	30		CEEEHN
Cc1c(F)cc(C#N)cc1NC(=O)C[C@H]1CSCCN1	ZINC000091135247	180103668	/nfs/dbraw/zinc/10/36/68/180103668.db2.gz	BAHWSKQTJOLRFI-NSHDSACASA-N	0	3	293.367	2.039	10	30		CEEEHN
CCCC1CCN(C(=O)c2ccncc2C#CCN)CC1	ZINC000091462925	180162008	/nfs/dbraw/zinc/16/20/08/180162008.db2.gz	VXAXVRORQAMSSH-UHFFFAOYSA-N	0	3	285.391	2.044	10	30		CEEEHN
C=CCCC[C@@H](O)C1(N2CCOCC2)CCCC1	ZINC000091642795	180213916	/nfs/dbraw/zinc/21/39/16/180213916.db2.gz	JALAZMKDDNHYMC-CQSZACIVSA-N	0	3	253.386	2.349	10	30		CEEEHN
C[C@H]1CN(Cc2ccc(F)cc2C#CCO)C[C@@H]1C	ZINC000092087035	180321654	/nfs/dbraw/zinc/32/16/54/180321654.db2.gz	CRZWUMMVOFYYHD-STQMWFEESA-N	0	3	261.340	2.257	10	30		CEEEHN
CC(C)c1nc2n(n1)C[C@@H](NCc1cccc(C#N)c1)CC2	ZINC000105873845	186081823	/nfs/dbraw/zinc/08/18/23/186081823.db2.gz	DWESRCXSJVUADA-HNNXBMFYSA-N	0	3	295.390	2.378	10	30		CEEEHN
CC(C)(O)CN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000106386231	186113546	/nfs/dbraw/zinc/11/35/46/186113546.db2.gz	XSUYOOIUHXOEMK-UHFFFAOYSA-N	0	3	274.364	2.172	10	30		CEEEHN
C=CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)NC	ZINC000110959860	186336502	/nfs/dbraw/zinc/33/65/02/186336502.db2.gz	JJHGZRGHDPPXOX-STQMWFEESA-N	0	3	276.380	2.345	10	30		CEEEHN
CC[C@@H]1CN(Cc2sccc2C#CCCO)CCN1C	ZINC000110734659	186317501	/nfs/dbraw/zinc/31/75/01/186317501.db2.gz	WQGZFHYEQWXWKQ-OAHLLOKOSA-N	0	3	292.448	2.008	10	30		CEEEHN
CN(Cc1ccc(C#CCCO)s1)C[C@H]1CCCOC1	ZINC000111168231	186363282	/nfs/dbraw/zinc/36/32/82/186363282.db2.gz	KSACMCWNQSGDMD-CQSZACIVSA-N	0	3	293.432	2.340	10	30		CEEEHN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCSCC#N	ZINC000072514825	363140407	/nfs/dbraw/zinc/14/04/07/363140407.db2.gz	ZJIGGQAVAGKZSY-IHRRRGAJSA-N	0	3	296.436	2.439	10	30		CEEEHN
CC(C)(C)NCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000016473683	361489381	/nfs/dbraw/zinc/48/93/81/361489381.db2.gz	UDKQZBFZYQMYRU-UHFFFAOYSA-N	0	3	277.393	2.435	10	30		CEEEHN
C=CCC[C@H](O)CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21	ZINC000246013471	370899891	/nfs/dbraw/zinc/89/98/91/370899891.db2.gz	LRSIFOGFCIDANW-QPSCCSFWSA-N	0	3	281.396	2.120	10	30		CEEEHN
C=CCC(CC=C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C	ZINC000246152108	370916802	/nfs/dbraw/zinc/91/68/02/370916802.db2.gz	ZWHSHYDGMNVFJT-ZFWWWQNUSA-N	0	3	262.397	2.450	10	30		CEEEHN
N#Cc1ccc(CN[C@H]2CCCC[C@H]2CO)c(F)c1	ZINC000227597814	370374975	/nfs/dbraw/zinc/37/49/75/370374975.db2.gz	RIJSKROUPSWSGS-ZFWWWQNUSA-N	0	3	262.328	2.338	10	30		CEEEHN
C#CCNC(=O)CNc1c(C)c(C)nc2ccccc21	ZINC000302724919	379435618	/nfs/dbraw/zinc/43/56/18/379435618.db2.gz	JEDHRIYQUDIRSI-UHFFFAOYSA-N	0	3	267.332	2.013	10	30		CEEEHN
C[C@H](NC(=O)c1sccc1C#CCN)c1nccs1	ZINC000080325625	177641807	/nfs/dbraw/zinc/64/18/07/177641807.db2.gz	QFRNBBXGMLDAOK-VIFPVBQESA-N	0	3	291.401	2.006	10	30		CEEEHN
C[C@H]1CN2CCC[C@@H]2CN1c1nc2c(cc1C#N)CCC2	ZINC000083550662	135030148	/nfs/dbraw/zinc/03/01/48/135030148.db2.gz	JDWJBABWJQDSCT-SWLSCSKDSA-N	0	3	282.391	2.115	10	30		CEEEHN
COC(=O)C1CCC(N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000305820688	394512874	/nfs/dbraw/zinc/51/28/74/394512874.db2.gz	HCXLDKSXGZBWTJ-KPFVRQRISA-N	0	3	250.342	2.000	10	30		CEEEHN
N#CCCCN1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249547535	394557271	/nfs/dbraw/zinc/55/72/71/394557271.db2.gz	GQCYOWVMOYYIAF-STQMWFEESA-N	0	3	250.367	2.060	10	30		CEEEHN
C[C@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)cn1	ZINC000252662428	394573055	/nfs/dbraw/zinc/57/30/55/394573055.db2.gz	YYLDDEPZVJGRAO-JSGCOSHPSA-N	0	3	256.353	2.016	10	30		CEEEHN
C[C@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H](C)CN1	ZINC000086471055	394643791	/nfs/dbraw/zinc/64/37/91/394643791.db2.gz	MYVUAOFYEAIUDG-RYUDHWBXSA-N	0	3	266.348	2.293	10	30		CEEEHN
CCN(CCC#N)C(=O)CN[C@@H](C)c1cccs1	ZINC000182559818	395245395	/nfs/dbraw/zinc/24/53/95/395245395.db2.gz	XCCNIKDYYDEQNS-NSHDSACASA-N	0	3	265.382	2.161	10	30		CEEEHN
C[C@@H](CC#N)N(C)CCN(C)Cc1ccc(F)cc1	ZINC000181743366	395221975	/nfs/dbraw/zinc/22/19/75/395221975.db2.gz	WWABVGHRHGBAAU-ZDUSSCGKSA-N	0	3	263.360	2.491	10	30		CEEEHN
C[C@H](N[C@@H](C)c1cccs1)C(=O)N(C)CCC#N	ZINC000192941232	395397123	/nfs/dbraw/zinc/39/71/23/395397123.db2.gz	NSHXQAVCIRUDOV-QWRGUYRKSA-N	0	3	265.382	2.159	10	30		CEEEHN
N#Cc1ccccc1NC(=O)CCN1C[C@@H]2CCC[C@H]21	ZINC000533540457	395462029	/nfs/dbraw/zinc/46/20/29/395462029.db2.gz	SDVNPVVLRDZNCO-DZGCQCFKSA-N	0	3	269.348	2.371	10	30		CEEEHN
CCN(CC)c1ccc(/C=N/N2CCN(C)CC2)cc1	ZINC000005794899	170141325	/nfs/dbraw/zinc/14/13/25/170141325.db2.gz	BXAPLRFBWDXQFJ-SAPNQHFASA-N	0	3	274.412	2.114	10	30		CEEEHN
CC(C)Oc1ccc([C@@H](C#N)NCCN(C)C)cc1	ZINC000020176547	171042306	/nfs/dbraw/zinc/04/23/06/171042306.db2.gz	XYVQRQKJZDSDRN-OAHLLOKOSA-N	0	3	261.369	2.190	10	30		CEEEHN
CC(C)[C@H](N)C(=O)Nc1ccc(C#N)cc1Br	ZINC000037031080	172898519	/nfs/dbraw/zinc/89/85/19/172898519.db2.gz	KVJAUBZKHPDUKH-NSHDSACASA-N	0	3	296.168	2.243	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@H]1C[C@@H](OC)CN1	ZINC000040634082	174359984	/nfs/dbraw/zinc/35/99/84/174359984.db2.gz	UOELZBQJPDHMAX-DGCLKSJQSA-N	0	3	292.404	2.280	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@@H](CN)c1cccnc1	ZINC000043349275	175019283	/nfs/dbraw/zinc/01/92/83/175019283.db2.gz	YLEMIXPQJOBBFD-HNNXBMFYSA-N	0	3	269.304	2.041	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCCN1CCN(C(C)(C)C)CC1	ZINC000045318454	175358907	/nfs/dbraw/zinc/35/89/07/175358907.db2.gz	YHOJBEUICGLGCJ-KRWDZBQOSA-N	0	3	294.487	2.463	10	30		CEEEHN
CC(C)N[C@H]1CCCN(c2ccc(CC#N)cc2)C1=O	ZINC000071041485	176028267	/nfs/dbraw/zinc/02/82/67/176028267.db2.gz	QOKYSHIKKNMUJR-HNNXBMFYSA-N	0	3	271.364	2.246	10	30		CEEEHN
CCC(CC)C(=O)NCc1cc(C#CCN)cs1	ZINC000071322565	176122813	/nfs/dbraw/zinc/12/28/13/176122813.db2.gz	CLSQOGUIFIMKHE-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2ccccc2F)s1	ZINC000071322954	176123613	/nfs/dbraw/zinc/12/36/13/176123613.db2.gz	WGWNFPNHRXLCKJ-UHFFFAOYSA-N	0	3	288.347	2.127	10	30		CEEEHN
C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H]1CCCN1CC	ZINC000249258571	261248308	/nfs/dbraw/zinc/24/83/08/261248308.db2.gz	HAGNRSBLDNCRHF-HOCLYGCPSA-N	0	3	282.428	2.158	10	30		CEEEHN
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000249414060	261252409	/nfs/dbraw/zinc/25/24/09/261252409.db2.gz	YPYGBVHWWPDGBO-SQWLQELKSA-N	0	3	282.428	2.060	10	30		CEEEHN
Cc1ccccc1[C@H](C)NCC(=O)N[C@](C)(C#N)C1CC1	ZINC000123189960	268005517	/nfs/dbraw/zinc/00/55/17/268005517.db2.gz	BEGOIELYDUKUFR-SUMWQHHRSA-N	0	3	285.391	2.454	10	30		CEEEHN
CN(C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000078835775	273817895	/nfs/dbraw/zinc/81/78/95/273817895.db2.gz	LQCQBHFAIMBHMF-JTQLQIEISA-N	0	3	284.285	2.112	10	30		CEEEHN
CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1	ZINC000424083616	330222472	/nfs/dbraw/zinc/22/24/72/330222472.db2.gz	NFBJBKDYBYOALD-KGLIPLIRSA-N	0	3	259.353	2.275	10	30		CEEEHN
CC1(C#N)CCN(C[C@H](O)COCc2ccccc2)CC1	ZINC000227351728	333281279	/nfs/dbraw/zinc/28/12/79/333281279.db2.gz	LJXTYOBVZQRJSG-INIZCTEOSA-N	0	3	288.391	2.190	10	30		CEEEHN
CCC[C@H](C)C(=O)NCc1cc(C#CCN)ccc1F	ZINC000049586995	521002311	/nfs/dbraw/zinc/00/23/11/521002311.db2.gz	VNFYDJCHHQUVSM-LBPRGKRZSA-N	0	3	276.355	2.188	10	30		CEEEHN
CCCCN(C(=O)c1ccccc1C#CCN)C1CC1	ZINC000048997016	520361037	/nfs/dbraw/zinc/36/10/37/520361037.db2.gz	CNYNYPZFMZNERC-UHFFFAOYSA-N	0	3	270.376	2.402	10	30		CEEEHN
CCN(CC)Cc1cc(C#CCCO)ccc1OC	ZINC000049615649	520740360	/nfs/dbraw/zinc/74/03/60/520740360.db2.gz	GDHWPYPENYOPBX-UHFFFAOYSA-N	0	3	261.365	2.271	10	30		CEEEHN
CC[C@H](C)[C@H](C)NC(=O)c1cc(C#CCN)ccc1F	ZINC000049105835	521931596	/nfs/dbraw/zinc/93/15/96/521931596.db2.gz	KRKBSCSMANGXJV-RYUDHWBXSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@H]([NH3+])[C@]([O-])(c1cccc(C#N)c1)C(F)(F)F	ZINC000062784331	522346331	/nfs/dbraw/zinc/34/63/31/522346331.db2.gz	UMROIKADTLJMGZ-WDEREUQCSA-N	0	3	258.243	2.045	10	30		CEEEHN
CC[C@H]1CCCN1Cc1cc(C#CCO)ccc1OC	ZINC000049615143	523107950	/nfs/dbraw/zinc/10/79/50/523107950.db2.gz	FWDRSUAHZVOMFE-INIZCTEOSA-N	0	3	273.376	2.413	10	30		CEEEHN
CC[C@H]1CCC[C@H](NC(=O)c2ccc(C#CCN)cn2)C1	ZINC000068594053	523140680	/nfs/dbraw/zinc/14/06/80/523140680.db2.gz	ZTBBYTCGQXCFHH-ZFWWWQNUSA-N	0	3	285.391	2.090	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1)C(=O)c1cccs1	ZINC000049586599	523202967	/nfs/dbraw/zinc/20/29/67/523202967.db2.gz	ACWNQXYCYXEPOD-UHFFFAOYSA-N	0	3	284.384	2.331	10	30		CEEEHN
COCCCN(CCOC)[C@@H](C)C[C@@](C)(C#N)NC(C)C	ZINC000068612900	523259424	/nfs/dbraw/zinc/25/94/24/523259424.db2.gz	OKYGUHQLQKMQKE-HOTGVXAUSA-N	0	3	299.459	2.030	10	30		CEEEHN
CC[C@@H]1CCC[C@H](NC(=O)c2cncc(C#CCN)c2)C1	ZINC000068594058	523304942	/nfs/dbraw/zinc/30/49/42/523304942.db2.gz	FWUUZCZJJDKMDO-CJNGLKHVSA-N	0	3	285.391	2.090	10	30		CEEEHN
CN(Cc1ccccn1)Cc1ccccc1C#CCN	ZINC000049609241	523396394	/nfs/dbraw/zinc/39/63/94/523396394.db2.gz	FBTXORGTDGRYBM-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
CN(Cc1ccco1)Cc1cccc(C#CCN)c1	ZINC000049609122	523434385	/nfs/dbraw/zinc/43/43/85/523434385.db2.gz	ZFIQGIFPMIVUCI-UHFFFAOYSA-N	0	3	254.333	2.222	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1CCCCC1	ZINC000049616747	523516658	/nfs/dbraw/zinc/51/66/58/523516658.db2.gz	DQWHZVGXHIXCNJ-UHFFFAOYSA-N	0	3	259.349	2.025	10	30		CEEEHN
COc1ccc(C#CCN)cc1CSc1ncccn1	ZINC000049611447	523517787	/nfs/dbraw/zinc/51/77/87/523517787.db2.gz	RFYYTPUVDYUGSQ-UHFFFAOYSA-N	0	3	285.372	2.088	10	30		CEEEHN
CC[C@H](C)N1CCN(CCCC[C@@](C)(C#N)NC)CC1	ZINC000055070185	523953067	/nfs/dbraw/zinc/95/30/67/523953067.db2.gz	FVTOQDVNMXNQMQ-HOTGVXAUSA-N	0	3	280.460	2.074	10	30		CEEEHN
C[C@H](Cc1ccsc1)NC(=O)c1cccc(C#CCN)c1	ZINC000049189271	524761696	/nfs/dbraw/zinc/76/16/96/524761696.db2.gz	CETSMTWHIDVMGD-CYBMUJFWSA-N	0	3	298.411	2.419	10	30		CEEEHN
COc1ccc(C(C#N)C(=O)[C@H]2CCCCO2)cc1	ZINC000050963868	525286135	/nfs/dbraw/zinc/28/61/35/525286135.db2.gz	GOMIGRLWNRURAB-UONOGXRCSA-N	0	3	259.305	2.441	10	30		CEEEHN
Cc1ccc(C#N)cc1NC(=O)c1ccc(C#CCN)s1	ZINC000050436700	526005057	/nfs/dbraw/zinc/00/50/57/526005057.db2.gz	XGCWEMNBXMVFRW-UHFFFAOYSA-N	0	3	295.367	2.491	10	30		CEEEHN
COc1cccc(C(C#N)C(=O)[C@@H]2CCCCO2)c1	ZINC000050963977	526245910	/nfs/dbraw/zinc/24/59/10/526245910.db2.gz	UZYYRPVHMOSHMY-KGLIPLIRSA-N	0	3	259.305	2.441	10	30		CEEEHN
NCC#Cc1ccc(COCc2ccco2)c(F)c1	ZINC000049610365	527150046	/nfs/dbraw/zinc/15/00/46/527150046.db2.gz	XHYLCZJXWPHPJQ-UHFFFAOYSA-N	0	3	259.280	2.446	10	30		CEEEHN
COC(=O)N[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C	ZINC000108624197	642359272	/nfs/dbraw/zinc/35/92/72/642359272.db2.gz	PRFCBCHHFUBOFU-NXEZZACHSA-N	0	3	295.364	2.008	10	30		CEEEHN
C#C[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000123113687	648796009	/nfs/dbraw/zinc/79/60/09/648796009.db2.gz	OIXACPIGYRHORQ-MNOVXSKESA-N	0	3	263.337	2.385	10	30		CEEEHN
CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCn2ccnc2C1	ZINC000328628556	344756570	/nfs/dbraw/zinc/75/65/70/344756570.db2.gz	NVXCQLCRRWWXAZ-ZIAGYGMSSA-N	0	3	290.411	2.276	10	30		CEEEHN
COc1ccc([C@](C#N)(CC#CCN)C(C)C)cc1OC	ZINC000584594537	344961459	/nfs/dbraw/zinc/96/14/59/344961459.db2.gz	LNXJFUWTABNGSZ-KRWDZBQOSA-N	0	3	286.375	2.473	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CCN)s1	ZINC000086081159	179227605	/nfs/dbraw/zinc/22/76/05/179227605.db2.gz	MOSXLJYNVCAXKW-LOWVWBTDSA-N	0	3	276.405	2.223	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2ccccc2C#CCN)CC[C@@H]1C	ZINC000086081129	179227440	/nfs/dbraw/zinc/22/74/40/179227440.db2.gz	UTDYKKDSNZYXRF-WOSRLPQWSA-N	0	3	270.376	2.161	10	30		CEEEHN
C[C@@H](Cn1cccn1)NC1CC(C#N)(c2ccccc2)C1	ZINC000086037113	179221376	/nfs/dbraw/zinc/22/13/76/179221376.db2.gz	QWOKBZCDQFLZJC-OOHWJJMZSA-N	0	3	280.375	2.485	10	30		CEEEHN
CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(C#N)cc1	ZINC000086447500	179295532	/nfs/dbraw/zinc/29/55/32/179295532.db2.gz	FGJLZMHHOGXZGT-LSDHHAIUSA-N	0	3	271.364	2.161	10	30		CEEEHN
COc1cccc(N[C@@]2(C#N)CCCN(C)CC2)c1	ZINC000086819704	179348041	/nfs/dbraw/zinc/34/80/41/179348041.db2.gz	VHJCSIAXKXWUKH-HNNXBMFYSA-N	0	3	259.353	2.485	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1cc(C#CCN)ccc1C	ZINC000087748157	179480884	/nfs/dbraw/zinc/48/08/84/179480884.db2.gz	JGZSJXKCJWASQC-OCCSQVGLSA-N	0	3	272.392	2.470	10	30		CEEEHN
Cc1cc(F)cc(NC(=O)c2ccncc2C#CCN)c1	ZINC000091517630	180177628	/nfs/dbraw/zinc/17/76/28/180177628.db2.gz	LGPXSTBZWOSJEN-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
N#CC[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000091667985	180224401	/nfs/dbraw/zinc/22/44/01/180224401.db2.gz	RYTCVHOYJMBNQO-IKGGRYGDSA-N	0	3	285.391	2.094	10	30		CEEEHN
C=CCNCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000092475005	180393862	/nfs/dbraw/zinc/39/38/62/180393862.db2.gz	RSJGMXZIRWRAQM-AWEZNQCLSA-N	0	3	294.782	2.016	10	30		CEEEHN
NCC#Cc1csc(COc2ccccc2CO)c1	ZINC000110994479	186340922	/nfs/dbraw/zinc/34/09/22/186340922.db2.gz	BIRROYGJUYDPIK-UHFFFAOYSA-N	0	3	273.357	2.130	10	30		CEEEHN
CN1CCN(Cc2sccc2C#CCCO)CC1(C)C	ZINC000110734795	186317111	/nfs/dbraw/zinc/31/71/11/186317111.db2.gz	HNCKPDKBVHVWEQ-UHFFFAOYSA-N	0	3	292.448	2.008	10	30		CEEEHN
CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C	ZINC000147747914	539807126	/nfs/dbraw/zinc/80/71/26/539807126.db2.gz	NISCTLIJYHHWHM-OAHLLOKOSA-N	0	3	294.420	2.356	10	30		CEEEHN
C[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C#CCN	ZINC000111540261	186426831	/nfs/dbraw/zinc/42/68/31/186426831.db2.gz	RLYOTNLOYFHMEL-YPMHNXCESA-N	0	3	276.405	2.367	10	30		CEEEHN
C=CCC[C@H](CN1CCCOCC1)Oc1ccnc(C)n1	ZINC000072479144	363138636	/nfs/dbraw/zinc/13/86/36/363138636.db2.gz	JGUUSYZIGBYDGF-OAHLLOKOSA-N	0	3	291.395	2.221	10	30		CEEEHN
N#Cc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1	ZINC000105801985	283146851	/nfs/dbraw/zinc/14/68/51/283146851.db2.gz	NITFRHAOQHCAHA-MRXNPFEDSA-N	0	3	293.374	2.107	10	30		CEEEHN
N#Cc1ccc(CNC[C@@H]2CCCC[C@@H]2O)s1	ZINC000135693387	366468538	/nfs/dbraw/zinc/46/85/38/366468538.db2.gz	ZSOCKRWHVLXMMP-GWCFXTLKSA-N	0	3	250.367	2.260	10	30		CEEEHN
Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)o1	ZINC000180125324	189238321	/nfs/dbraw/zinc/23/83/21/189238321.db2.gz	TYDYECGLPYHCJP-ZDUSSCGKSA-N	0	3	270.336	2.321	10	30		CEEEHN
C#CCN[C@H](C)Cc1cccc(OC(=O)N(C)CC)c1	ZINC000013492335	361429605	/nfs/dbraw/zinc/42/96/05/361429605.db2.gz	RLJGNKUWFSRASJ-CYBMUJFWSA-N	0	3	274.364	2.291	10	30		CEEEHN
C=C(Br)CN1C[C@H]2CCCN2C[C@@H]1C	ZINC000113518241	364904352	/nfs/dbraw/zinc/90/43/52/364904352.db2.gz	JAPLLDJMCDPGMF-WDEREUQCSA-N	0	3	259.191	2.064	10	30		CEEEHN
C=CCCCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000247269175	371086640	/nfs/dbraw/zinc/08/66/40/371086640.db2.gz	JVHYEUDTBUAPAY-ZIAGYGMSSA-N	0	3	267.417	2.323	10	30		CEEEHN
Cn1cc(SCc2cc(F)cc(C#CCN)c2)cn1	ZINC000093994239	184749381	/nfs/dbraw/zinc/74/93/81/184749381.db2.gz	VNNDTZFVQXVILJ-UHFFFAOYSA-N	0	3	275.352	2.162	10	30		CEEEHN
CC[C@@H]1CN(CC(C)(C)CCC#N)CCN1CCOC	ZINC000120980183	394789294	/nfs/dbraw/zinc/78/92/94/394789294.db2.gz	JTNNBMVTLOHKPH-OAHLLOKOSA-N	0	3	281.444	2.359	10	30		CEEEHN
Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)c(C#N)c(C)n1	ZINC000156591140	395033278	/nfs/dbraw/zinc/03/32/78/395033278.db2.gz	YGWFSVLWLPFQTM-KGLIPLIRSA-N	0	3	270.380	2.243	10	30		CEEEHN
C[C@@H](NCCC(=O)N(C)CCC#N)c1cccs1	ZINC000182553831	395243591	/nfs/dbraw/zinc/24/35/91/395243591.db2.gz	SVWXFXNVWIBEDS-LLVKDONJSA-N	0	3	265.382	2.161	10	30		CEEEHN
C#CCCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000192217909	395375583	/nfs/dbraw/zinc/37/55/83/395375583.db2.gz	ZYGUAOZLJSLROL-QGZVFWFLSA-N	0	3	299.418	2.165	10	30		CEEEHN
C=CCOCCN1C[C@H]2CCCCN2C[C@H]1CC	ZINC000302328171	400331132	/nfs/dbraw/zinc/33/11/32/400331132.db2.gz	FVUFYWRGBNYYLQ-HUUCEWRRSA-N	0	3	252.402	2.138	10	30		CEEEHN
CC[C@@H](C)[C@H](N)C(=O)N(CCC#N)c1ccccc1	ZINC000019833588	170883461	/nfs/dbraw/zinc/88/34/61/170883461.db2.gz	OOMTXVHPLJLGGJ-OCCSQVGLSA-N	0	3	259.353	2.307	10	30		CEEEHN
N#Cc1ccc(NC(=O)[C@@H]2CCCCN2)cc1Cl	ZINC000036964062	172831879	/nfs/dbraw/zinc/83/18/79/172831879.db2.gz	AWJCZGUVUYVXOO-LBPRGKRZSA-N	0	3	263.728	2.292	10	30		CEEEHN
C=CCOc1ccc(CNCCCC(=O)OC)cc1	ZINC000037415874	173192703	/nfs/dbraw/zinc/19/27/03/173192703.db2.gz	WEQXIJMWXIILTA-UHFFFAOYSA-N	0	3	263.337	2.294	10	30		CEEEHN
C=CCN(C(=O)[C@@H](N)CCSC)C1CCCC1	ZINC000040468191	174277134	/nfs/dbraw/zinc/27/71/34/174277134.db2.gz	ZEYFFOHKSSUMKN-LBPRGKRZSA-N	0	3	256.415	2.024	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@H](C)COc1ccc(C)cc1	ZINC000040499950	174296457	/nfs/dbraw/zinc/29/64/57/174296457.db2.gz	VSXRZLYITQARHV-KGLIPLIRSA-N	0	3	276.380	2.043	10	30		CEEEHN
NCC#Cc1ccc(COc2ccc3c(c2)OCO3)s1	ZINC000043685134	175093923	/nfs/dbraw/zinc/09/39/23/175093923.db2.gz	GMJYZUCJEXKVLT-UHFFFAOYSA-N	0	3	287.340	2.366	10	30		CEEEHN
CC[C@H](C)N(CCOC)Cc1cc(C#CCO)cs1	ZINC000043698725	175096999	/nfs/dbraw/zinc/09/69/99/175096999.db2.gz	YCCCPGDOAUEFCS-ZDUSSCGKSA-N	0	3	281.421	2.339	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCc1nccs1	ZINC000044825794	175259095	/nfs/dbraw/zinc/25/90/95/175259095.db2.gz	ZNISILMTWJPSRR-LBPRGKRZSA-N	0	3	271.345	2.142	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H]1C2	ZINC000044826131	175259569	/nfs/dbraw/zinc/25/95/69/175259569.db2.gz	MUMRKEMLSHLUHP-SOUVJXGZSA-N	0	3	254.333	2.380	10	30		CEEEHN
CCO[C@H]1CCCN(C(=O)C(C#N)Cc2ccccc2)C1	ZINC000044826378	175259743	/nfs/dbraw/zinc/25/97/43/175259743.db2.gz	RXBPOYVAHRDLDQ-CVEARBPZSA-N	0	3	286.375	2.396	10	30		CEEEHN
CC1(NC(=O)c2cccc(C#CCN)c2)CCCCC1	ZINC000045047651	175297203	/nfs/dbraw/zinc/29/72/03/175297203.db2.gz	YABWBTDFCFHTHS-UHFFFAOYSA-N	0	3	270.376	2.449	10	30		CEEEHN
CN(CC(C)(C)C)C(=O)c1ccc(C#CCN)s1	ZINC000045091840	175305758	/nfs/dbraw/zinc/30/57/58/175305758.db2.gz	PLTPXLYHSUAJLE-UHFFFAOYSA-N	0	3	264.394	2.176	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000071322530	176122960	/nfs/dbraw/zinc/12/29/60/176122960.db2.gz	LGIPSQJPJOKRLE-NJZAAPMLSA-N	0	3	288.416	2.111	10	30		CEEEHN
Cc1ccc(C(=O)NCc2ccc(C#CCN)s2)s1	ZINC000071322765	176123434	/nfs/dbraw/zinc/12/34/34/176123434.db2.gz	IVAMQNNNOMEJOH-UHFFFAOYSA-N	0	3	290.413	2.358	10	30		CEEEHN
C=CCNC(=O)[C@H](C)Oc1ccc(C)cc1CNCC	ZINC000071403860	176155085	/nfs/dbraw/zinc/15/50/85/176155085.db2.gz	ZFHQZEUNQXLVKH-ZDUSSCGKSA-N	0	3	276.380	2.174	10	30		CEEEHN
C=CCC[C@@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263516019	330058704	/nfs/dbraw/zinc/05/87/04/330058704.db2.gz	OSHFQIPKYCPMEZ-LRVUVFPRSA-N	0	3	280.412	2.258	10	30		CEEEHN
C=CCC[C@@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263516019	330058706	/nfs/dbraw/zinc/05/87/06/330058706.db2.gz	OSHFQIPKYCPMEZ-LRVUVFPRSA-N	0	3	280.412	2.258	10	30		CEEEHN
C=CCC[C@@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1	ZINC000263516019	330058707	/nfs/dbraw/zinc/05/87/07/330058707.db2.gz	OSHFQIPKYCPMEZ-LRVUVFPRSA-N	0	3	280.412	2.258	10	30		CEEEHN
CN(CCN[C@H]1CCC[C@@H]1C#N)Cc1ccccc1	ZINC000386745943	336177962	/nfs/dbraw/zinc/17/79/62/336177962.db2.gz	ZPOYZFIWYNEOJP-CVEARBPZSA-N	0	3	257.381	2.400	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N1CCN([C@@H](C)CC)CC1	ZINC000068614980	520102531	/nfs/dbraw/zinc/10/25/31/520102531.db2.gz	GATUIHQXWVJPFO-BBWFWOEESA-N	0	3	294.487	2.463	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN1CCN([C@@H](C)CC)CC1	ZINC000055069981	520103614	/nfs/dbraw/zinc/10/36/14/520103614.db2.gz	UXMHLNZMCGFMGU-HOTGVXAUSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCCN(C)Cc1cc(C#CCO)ccc1OC	ZINC000049616390	520421176	/nfs/dbraw/zinc/42/11/76/520421176.db2.gz	GHEHEBPFJVCHQH-UHFFFAOYSA-N	0	3	261.365	2.271	10	30		CEEEHN
C=CCOc1c(CNCCOC)cccc1OCC	ZINC000062732792	519003744	/nfs/dbraw/zinc/00/37/44/519003744.db2.gz	ONYFCLXEHWPUSC-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
CC(C)CN1CCN([C@H](C)C[C@](C)(C#N)NC2CC2)CC1	ZINC000068615070	519728192	/nfs/dbraw/zinc/72/81/92/519728192.db2.gz	VQJGSAXFMFVHDS-NVXWUHKLSA-N	0	3	292.471	2.073	10	30		CEEEHN
CC(C)COC(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049587408	519750923	/nfs/dbraw/zinc/75/09/23/519750923.db2.gz	MUZXYMNEZAXMJF-ZDUSSCGKSA-N	0	3	274.364	2.440	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N(CCOC)[C@@H](C)COC	ZINC000068613285	520101834	/nfs/dbraw/zinc/10/18/34/520101834.db2.gz	QWVXOKSVWKAHNY-PMPSAXMXSA-N	0	3	299.459	2.030	10	30		CEEEHN
CCN(Cc1cc(C#CCO)ccc1OC)C(C)C	ZINC000049617443	521285492	/nfs/dbraw/zinc/28/54/92/521285492.db2.gz	HXIZBNGWQBIJLI-UHFFFAOYSA-N	0	3	261.365	2.269	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1ccccc1C#CCN	ZINC000049105780	522293254	/nfs/dbraw/zinc/29/32/54/522293254.db2.gz	ODKNKVDIZUZKGN-CHWSQXEVSA-N	0	3	258.365	2.161	10	30		CEEEHN
CN(Cc1cccc(C#CCCO)c1)[C@H]1CCSC1	ZINC000049617845	523291888	/nfs/dbraw/zinc/29/18/88/523291888.db2.gz	VVJPSFVAQBHLEY-INIZCTEOSA-N	0	3	275.417	2.358	10	30		CEEEHN
COc1ccc(C#CCN)cc1CSc1nccn1C	ZINC000049611270	523517639	/nfs/dbraw/zinc/51/76/39/523517639.db2.gz	XJLJCRKZZVRJKC-UHFFFAOYSA-N	0	3	287.388	2.031	10	30		CEEEHN
CC[C@H](C)N1CCN(CC2(C=O)CCCC2)CC1	ZINC000055071417	523952642	/nfs/dbraw/zinc/95/26/42/523952642.db2.gz	DJNAYEWJBIZXKT-AWEZNQCLSA-N	0	3	252.402	2.162	10	30		CEEEHN
COCCNCc1ccc([N+](=O)[O-])c(OCCCC#N)c1	ZINC000062733390	523953400	/nfs/dbraw/zinc/95/34/00/523953400.db2.gz	AJUVFGDBTVIFHK-UHFFFAOYSA-N	0	3	293.323	2.013	10	30		CEEEHN
Cc1ccoc1C(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587200	525787192	/nfs/dbraw/zinc/78/71/92/525787192.db2.gz	JNXNNHNJJFYXSA-ZDUSSCGKSA-N	0	3	282.343	2.389	10	30		CEEEHN
Cc1ccsc1C(=O)NCc1ccccc1C#CCN	ZINC000049586429	525825216	/nfs/dbraw/zinc/82/52/16/525825216.db2.gz	FIWPEXPFSOWZSN-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
Cc1nnc(SCc2ccc(C#CCN)cc2F)o1	ZINC000051038620	526386627	/nfs/dbraw/zinc/38/66/27/526386627.db2.gz	SOOAXIOVLNOQDX-UHFFFAOYSA-N	0	3	277.324	2.120	10	30		CEEEHN
NCC#Cc1ccc(COC[C@H]2CCCCO2)c(F)c1	ZINC000049610763	527149644	/nfs/dbraw/zinc/14/96/44/527149644.db2.gz	JHQDXWBAYGQOQS-OAHLLOKOSA-N	0	3	277.339	2.222	10	30		CEEEHN
NCC#Cc1ccccc1COc1ccc(CO)cc1	ZINC000049611145	527154877	/nfs/dbraw/zinc/15/48/77/527154877.db2.gz	HLDDUYBPXPIUEQ-UHFFFAOYSA-N	0	3	267.328	2.068	10	30		CEEEHN
NCC#Cc1cnc(NC(=O)C2(c3ccccc3)CC2)s1	ZINC000061618391	527155050	/nfs/dbraw/zinc/15/50/50/527155050.db2.gz	YXJFVUSLRQBAGU-UHFFFAOYSA-N	0	3	297.383	2.124	10	30		CEEEHN
NCC#Cc1ccccc1CNC(=O)Nc1ccccc1	ZINC000049587495	527155529	/nfs/dbraw/zinc/15/55/29/527155529.db2.gz	VLEZKJRFSIKYGO-UHFFFAOYSA-N	0	3	279.343	2.319	10	30		CEEEHN
C#CC[C@H](N)c1ccc(F)cc1I	ZINC000236305117	344595430	/nfs/dbraw/zinc/59/54/30/344595430.db2.gz	DFZMCKIDGFPWLU-JTQLQIEISA-N	0	3	289.091	2.453	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cccc(C#CCN)c1	ZINC000086081143	179227676	/nfs/dbraw/zinc/22/76/76/179227676.db2.gz	YZQRJEVCKNSPLN-ZENOOKHLSA-N	0	3	270.376	2.161	10	30		CEEEHN
CCCN[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1=O	ZINC000086115370	179234364	/nfs/dbraw/zinc/23/43/64/179234364.db2.gz	XGQYTPXVOYXGSV-GFCCVEGCSA-N	0	3	277.755	2.317	10	30		CEEEHN
Cc1ccc(NC(=O)c2ccncc2F)cc1C#CCN	ZINC000086316945	179269489	/nfs/dbraw/zinc/26/94/89/179269489.db2.gz	XOONCBHENWYKFN-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CC1(C)CCC(O)(CNCc2ccnc(C#N)c2)CC1	ZINC000087063546	179390467	/nfs/dbraw/zinc/39/04/67/179390467.db2.gz	LMOBPBXDQBQCMS-UHFFFAOYSA-N	0	3	273.380	2.374	10	30		CEEEHN
CCCCCNC(=O)c1cc(C#CCN)ccc1C	ZINC000087747733	179481017	/nfs/dbraw/zinc/48/10/17/179481017.db2.gz	SHYWCKNBYHDRRV-UHFFFAOYSA-N	0	3	258.365	2.225	10	30		CEEEHN
COc1ccc(C#CCCO)c(CN2CCC[C@H]2C)c1	ZINC000087786706	179486228	/nfs/dbraw/zinc/48/62/28/179486228.db2.gz	MJYAYZBFJNVSBY-CQSZACIVSA-N	0	3	273.376	2.413	10	30		CEEEHN
OC[C@@H]1CCCC[C@@H]1CNCC#Cc1ccccc1	ZINC000089527127	179809939	/nfs/dbraw/zinc/80/99/39/179809939.db2.gz	YBGLWZYLJXVUCT-SJORKVTESA-N	0	3	257.377	2.426	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1	ZINC000090985718	180080861	/nfs/dbraw/zinc/08/08/61/180080861.db2.gz	HNUCJPFLFAHGBH-KRWDZBQOSA-N	0	3	276.339	2.275	10	30		CEEEHN
COCCNCc1cccn1Cc1ccccc1C#N	ZINC000091002054	180083988	/nfs/dbraw/zinc/08/39/88/180083988.db2.gz	MYMPOXFHVPGUMK-UHFFFAOYSA-N	0	3	269.348	2.144	10	30		CEEEHN
N#Cc1cc(NC(=O)C[C@@H]2CSCCN2)ccc1Cl	ZINC000091134869	180104000	/nfs/dbraw/zinc/10/40/00/180104000.db2.gz	LTNAEHVZUUFNMX-LLVKDONJSA-N	0	3	295.795	2.245	10	30		CEEEHN
CC1CCN(C(=O)Nc2ccc(F)cc2C#CCN)CC1	ZINC000091992468	180300340	/nfs/dbraw/zinc/30/03/40/180300340.db2.gz	UAUDTSXBJKMNLF-UHFFFAOYSA-N	0	3	289.354	2.400	10	30		CEEEHN
C=CCNCC(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000092475758	180393706	/nfs/dbraw/zinc/39/37/06/180393706.db2.gz	CYFJIIRWORWZQI-UHFFFAOYSA-N	0	3	272.270	2.097	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@@H]1c1ccsc1	ZINC000092474783	180393915	/nfs/dbraw/zinc/39/39/15/180393915.db2.gz	QXTBKBFHOBEPOF-GFCCVEGCSA-N	0	3	250.367	2.187	10	30		CEEEHN
CN(C)[C@@H]1CCN(C(=O)C2(C#N)CCCCCC2)C1	ZINC000110250173	186288479	/nfs/dbraw/zinc/28/84/79/186288479.db2.gz	UEGWLQKISMJJHL-CYBMUJFWSA-N	0	3	263.385	2.013	10	30		CEEEHN
CN1CCN(Cc2cc(C#CCCO)cs2)CC1(C)C	ZINC000110734678	186318197	/nfs/dbraw/zinc/31/81/97/186318197.db2.gz	SISDADKENCTBES-UHFFFAOYSA-N	0	3	292.448	2.008	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCCCN1CCN(C)C(C)(C)C1	ZINC000110737526	186319451	/nfs/dbraw/zinc/31/94/51/186319451.db2.gz	AUVAOQYHCWEULD-QGZVFWFLSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCO[C@H]1C[C@H](NCc2ccc(C#N)o2)C12CCOCC2	ZINC000185659130	368839196	/nfs/dbraw/zinc/83/91/96/368839196.db2.gz	BWWSSHSRLUBSAL-GJZGRUSLSA-N	0	3	290.363	2.215	10	30		CEEEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1	ZINC000247322761	371092930	/nfs/dbraw/zinc/09/29/30/371092930.db2.gz	OUCAICZZANWXFI-CJNGLKHVSA-N	0	3	283.375	2.061	10	30		CEEEHN
Cc1cc(C(=O)NCC2CCCC2)sc1C#CCN	ZINC000094536230	184814377	/nfs/dbraw/zinc/81/43/77/184814377.db2.gz	YCYPQWLLTUWLFY-UHFFFAOYSA-N	0	3	276.405	2.287	10	30		CEEEHN
N#CCCN(Cc1cccnc1)[C@@H](CN)c1ccco1	ZINC000043334577	175010681	/nfs/dbraw/zinc/01/06/81/175010681.db2.gz	VMBCBDILCUYPDZ-AWEZNQCLSA-N	0	3	270.336	2.090	10	30		CEEEHN
CN(Cc1sccc1C#CCN)Cc1ccccn1	ZINC000043683714	175091865	/nfs/dbraw/zinc/09/18/65/175091865.db2.gz	KGCDHOULRLYBGB-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
CC[C@@H]1CO[C@@H](C)CN1Cc1sccc1C#CCN	ZINC000043683986	175092026	/nfs/dbraw/zinc/09/20/26/175092026.db2.gz	XOCYGZSFEBVBFR-GXTWGEPZSA-N	0	3	278.421	2.058	10	30		CEEEHN
NCC#Cc1ccc(CSc2nncs2)s1	ZINC000043685676	175093858	/nfs/dbraw/zinc/09/38/58/175093858.db2.gz	VWOGAVBEESSBIV-UHFFFAOYSA-N	0	3	267.404	2.202	10	30		CEEEHN
Cn1ccnc1SCc1ccc(C#CCN)s1	ZINC000043685516	175094025	/nfs/dbraw/zinc/09/40/25/175094025.db2.gz	KTGBYLBMEDXKBD-UHFFFAOYSA-N	0	3	263.391	2.084	10	30		CEEEHN
CCN(Cc1cc(C#CCN)cs1)C[C@@H](C)C#N	ZINC000043689085	175095454	/nfs/dbraw/zinc/09/54/54/175095454.db2.gz	MOGNZTOUOHPNOO-LBPRGKRZSA-N	0	3	261.394	2.040	10	30		CEEEHN
CCN(C[C@@H]1CCCO1)C(=O)C(C#N)Cc1ccccc1	ZINC000044824557	175259267	/nfs/dbraw/zinc/25/92/67/175259267.db2.gz	XZQUYRMQZGUSLF-CVEARBPZSA-N	0	3	286.375	2.396	10	30		CEEEHN
C[C@@H](CNc1ccc(N)cc1C#N)N1CCCCC1	ZINC000044989363	175285534	/nfs/dbraw/zinc/28/55/34/175285534.db2.gz	QSUUOHNIQQOZKK-LBPRGKRZSA-N	0	3	258.369	2.427	10	30		CEEEHN
CCCN1CCN(CCCC[C@@](C)(C#N)NCC)CC1	ZINC000045306462	175355815	/nfs/dbraw/zinc/35/58/15/175355815.db2.gz	RGLQKGBYPLIBNT-INIZCTEOSA-N	0	3	280.460	2.076	10	30		CEEEHN
CC[C@H]1CCCN1Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266896	176100651	/nfs/dbraw/zinc/10/06/51/176100651.db2.gz	KDWNIVVIGVVIKC-LBPRGKRZSA-N	0	3	265.332	2.295	10	30		CEEEHN
C=CCCOc1cc(CNCCOC)ccc1OC	ZINC000071274997	176106255	/nfs/dbraw/zinc/10/62/55/176106255.db2.gz	LNNCCEIGHBQANL-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
C#CCOc1ccc(CNCCOC)cc1C(F)(F)F	ZINC000071398849	176151834	/nfs/dbraw/zinc/15/18/34/176151834.db2.gz	SCXXBQCRXAPFCS-UHFFFAOYSA-N	0	3	287.281	2.453	10	30		CEEEHN
CCCCCCCCNS(=O)(=O)CCNC1CC1	ZINC000072138158	176322999	/nfs/dbraw/zinc/32/29/99/176322999.db2.gz	AQKCYPRFYAESIO-UHFFFAOYSA-N	0	3	276.446	2.018	10	30		CEEEHN
C=CCC[C@@H](O)CN1CCC[C@@H](n2cc(C)cn2)C1	ZINC000128058613	264274012	/nfs/dbraw/zinc/27/40/12/264274012.db2.gz	ZXXGEIMKBSPAGM-HUUCEWRRSA-N	0	3	263.385	2.156	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(F)c1	ZINC000398988020	270364956	/nfs/dbraw/zinc/36/49/56/270364956.db2.gz	GKQTVGYBBVTFPI-QEJZJMRPSA-N	0	3	274.339	2.290	10	30		CEEEHN
CC(C)N1C[C@H](NC(=O)c2sccc2C#N)[C@@H](C)C1	ZINC000155641694	289179676	/nfs/dbraw/zinc/17/96/76/289179676.db2.gz	WIJXAYHDDOSZQM-JQWIXIFHSA-N	0	3	277.393	2.078	10	30		CEEEHN
CCCCCCCC(=O)N1CCO[C@H](CN(C)C)C1	ZINC000116787872	329545246	/nfs/dbraw/zinc/54/52/46/329545246.db2.gz	OPEOSHSEUIIHNS-CQSZACIVSA-N	0	3	270.417	2.136	10	30		CEEEHN
C=C(C)CN1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191980394	333228066	/nfs/dbraw/zinc/22/80/66/333228066.db2.gz	KMPFBJJONLVTJX-UHFFFAOYSA-N	0	3	282.428	2.300	10	30		CEEEHN
CC(C)CN(CCC#N)C(=O)c1c[nH]c(=NN)c(Cl)c1	ZINC000051094690	519714834	/nfs/dbraw/zinc/71/48/34/519714834.db2.gz	BJEHFFHGRBPUGY-UHFFFAOYSA-N	0	3	295.774	2.032	10	30		CEEEHN
CCC[C@H](C)C(=O)NCc1ccc(C#CCN)cc1	ZINC000049586262	521002282	/nfs/dbraw/zinc/00/22/82/521002282.db2.gz	SPCJDHUCBDNHGF-ZDUSSCGKSA-N	0	3	258.365	2.049	10	30		CEEEHN
CCCC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1	ZINC000050890990	521005966	/nfs/dbraw/zinc/00/59/66/521005966.db2.gz	QHWCXUFYCZHKOH-CYBMUJFWSA-N	0	3	258.365	2.305	10	30		CEEEHN
CN(C)C[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1	ZINC000061645836	521829501	/nfs/dbraw/zinc/82/95/01/521829501.db2.gz	WCRXMTXBMHKYIR-ZDUSSCGKSA-N	0	3	263.385	2.013	10	30		CEEEHN
C#CCOc1ccc2ccccc2c1CNCCCO	ZINC000045946057	518331055	/nfs/dbraw/zinc/33/10/55/518331055.db2.gz	IMCYBKFHBPGGLJ-UHFFFAOYSA-N	0	3	269.344	2.324	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@@H]1CCCc2sccc21	ZINC000061362386	518923245	/nfs/dbraw/zinc/92/32/45/518923245.db2.gz	GIUCZJYHGZVSCE-CMPLNLGQSA-N	0	3	264.394	2.406	10	30		CEEEHN
CC(C)NCc1ccc([N+](=O)[O-])c(O[C@H](C)C#N)c1	ZINC000050517138	519727083	/nfs/dbraw/zinc/72/70/83/519727083.db2.gz	NIPMKBBOBDJJGS-SNVBAGLBSA-N	0	3	263.297	2.384	10	30		CEEEHN
CCN(C(=O)c1cncc(C#CCN)c1)C1CCCCC1	ZINC000049629330	520117515	/nfs/dbraw/zinc/11/75/15/520117515.db2.gz	ADYGQEZKDFHOCR-UHFFFAOYSA-N	0	3	285.391	2.187	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@@H](C)N(C)CCc1ccncc1	ZINC000068611940	520127992	/nfs/dbraw/zinc/12/79/92/520127992.db2.gz	BFIOWRIEMPWZNG-GDBMZVCRSA-N	0	3	274.412	2.226	10	30		CEEEHN
CCCC[C@@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000050890994	521005784	/nfs/dbraw/zinc/00/57/84/521005784.db2.gz	FSDZTAGNUUMWBP-CYBMUJFWSA-N	0	3	258.365	2.305	10	30		CEEEHN
CC[C@@H](C)N1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1	ZINC000055070149	522118543	/nfs/dbraw/zinc/11/85/43/522118543.db2.gz	UNZLFSIFHJTRMF-SJORKVTESA-N	0	3	294.487	2.463	10	30		CEEEHN
CN(Cc1cccc(C#CCCO)c1)C[C@H]1CCCO1	ZINC000049614161	523291923	/nfs/dbraw/zinc/29/19/23/523291923.db2.gz	WAHGUTWUAOOBAZ-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
C[C@@H](CN1CCCCC1)Nc1ccc(N)cc1C#N	ZINC000049500926	524607146	/nfs/dbraw/zinc/60/71/46/524607146.db2.gz	MPFBZWCJLOLKON-LBPRGKRZSA-N	0	3	258.369	2.427	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(C#CCN)cc2F)[C@H]1C	ZINC000050568539	526266631	/nfs/dbraw/zinc/26/66/31/526266631.db2.gz	XCMGYNHWYUXWQT-STQMWFEESA-N	0	3	288.366	2.397	10	30		CEEEHN
N#CC(C(=O)[C@H]1CCOC1)c1cc(F)cc(F)c1	ZINC000049350516	526507113	/nfs/dbraw/zinc/50/71/13/526507113.db2.gz	LJBHLDMXDRQJJU-UFBFGSQYSA-N	0	3	251.232	2.178	10	30		CEEEHN
NCC#Cc1cc(CN2CCCCCC2=O)ccc1F	ZINC000049609993	527146489	/nfs/dbraw/zinc/14/64/89/527146489.db2.gz	INWIKGBHFOFKOO-UHFFFAOYSA-N	0	3	274.339	2.039	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)c2ccoc2)c1	ZINC000061692007	527150369	/nfs/dbraw/zinc/15/03/69/527150369.db2.gz	YBSQTXGEOPYZFC-UHFFFAOYSA-N	0	3	274.707	2.496	10	30		CEEEHN
NCC#Cc1ccccc1CNC(=O)c1ccc(Cl)o1	ZINC000049586357	527154633	/nfs/dbraw/zinc/15/46/33/527154633.db2.gz	LVJTYUQXAFLFAT-UHFFFAOYSA-N	0	3	288.734	2.173	10	30		CEEEHN
Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](C)O2)c1	ZINC000121532390	640349251	/nfs/dbraw/zinc/34/92/51/640349251.db2.gz	XQXUSCMNKRQEFJ-IACUBPJLSA-N	0	3	286.331	2.210	10	30		CEEEHN
C#C[C@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000185987818	642054841	/nfs/dbraw/zinc/05/48/41/642054841.db2.gz	BGGVQTDJWDJCLX-DOTOQJQBSA-N	0	3	299.418	2.362	10	30		CEEEHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1C	ZINC000124670957	365657721	/nfs/dbraw/zinc/65/77/21/365657721.db2.gz	GEPRRZSSGZIEEB-STQMWFEESA-N	0	3	289.379	2.046	10	30		CEEEHN
C#C[C@H](N)c1cccc(C)c1I	ZINC000235804424	344592855	/nfs/dbraw/zinc/59/28/55/344592855.db2.gz	GMDJZEPCILHQCT-VIFPVBQESA-N	0	3	271.101	2.233	10	30		CEEEHN
C#CCOc1ccc(Br)cc1[C@H](C)N	ZINC000052066524	362463888	/nfs/dbraw/zinc/46/38/88/362463888.db2.gz	DTTTWEWZWYBFPX-QMMMGPOBSA-N	0	3	254.127	2.481	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1c1ccc(C#N)cc1F	ZINC000094460859	136513867	/nfs/dbraw/zinc/51/38/67/136513867.db2.gz	CVZAKXFLHOFAMD-DGCLKSJQSA-N	0	3	259.328	2.370	10	30		CEEEHN
N#C[C@@H]1CCC[C@@H]1NC1CCN(CC(F)(F)F)CC1	ZINC000061892457	362697494	/nfs/dbraw/zinc/69/74/94/362697494.db2.gz	DCEXZSUFMDOMPX-JQWIXIFHSA-N	0	3	275.318	2.295	10	30		CEEEHN
C=C(Br)COc1ccc(C)nc1CNC	ZINC000085972527	179207275	/nfs/dbraw/zinc/20/72/75/179207275.db2.gz	DCGRYLFLDYYEGX-UHFFFAOYSA-N	0	3	271.158	2.397	10	30		CEEEHN
N#Cc1ccc(CNC[C@@H]2CCCC[C@@H]2O)c(F)c1	ZINC000085986599	179211919	/nfs/dbraw/zinc/21/19/19/179211919.db2.gz	VGTRHWOAVFOVOV-ZFWWWQNUSA-N	0	3	262.328	2.338	10	30		CEEEHN
Cc1cccc(C)c1NC(=O)c1ccncc1C#CCN	ZINC000091461106	180161338	/nfs/dbraw/zinc/16/13/38/180161338.db2.gz	HQONEFSBUFMOCO-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
Cc1ccc(F)c(NC(=O)c2ccncc2C#CCN)c1	ZINC000091461690	180161827	/nfs/dbraw/zinc/16/18/27/180161827.db2.gz	GRJLMPOAHHRLCG-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CC[C@H]1CCCC[C@H]1NC(=O)c1ccncc1C#CCN	ZINC000091462174	180162522	/nfs/dbraw/zinc/16/25/22/180162522.db2.gz	AMFRPGZUGKMQIK-XJKSGUPXSA-N	0	3	285.391	2.090	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1ccc(Br)cc1	ZINC000105676556	186068085	/nfs/dbraw/zinc/06/80/85/186068085.db2.gz	PYVDODIMDLUCHK-UHFFFAOYSA-N	0	3	297.196	2.183	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@H]1c1ccc(OC)cc1	ZINC000092474521	180393859	/nfs/dbraw/zinc/39/38/59/180393859.db2.gz	WLNGPCUNDNCEMT-HNNXBMFYSA-N	0	3	274.364	2.134	10	30		CEEEHN
N#CCc1nc2ccccc2n1[C@H](CN)c1ccccn1	ZINC000110951734	186337000	/nfs/dbraw/zinc/33/70/00/186337000.db2.gz	OMNZEXJORYNAEZ-OAHLLOKOSA-N	0	3	277.331	2.045	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN(CC)CCOCC	ZINC000111121573	186354740	/nfs/dbraw/zinc/35/47/40/186354740.db2.gz	OQRYWEYBCYOVNK-CQSZACIVSA-N	0	3	255.406	2.017	10	30		CEEEHN
CC#CCCN(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000155527981	188212096	/nfs/dbraw/zinc/21/20/96/188212096.db2.gz	CBLILRLYCPTSCG-OAHLLOKOSA-N	0	3	292.448	2.467	10	30		CEEEHN
C=CCCCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000132394710	366140092	/nfs/dbraw/zinc/14/00/92/366140092.db2.gz	JVHYEUDTBUAPAY-KGLIPLIRSA-N	0	3	267.417	2.323	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)c1nc2c(cc1C#N)CCC2	ZINC000092631256	364090308	/nfs/dbraw/zinc/09/03/08/364090308.db2.gz	BBZRPORFMSHLDW-HNNXBMFYSA-N	0	3	284.407	2.362	10	30		CEEEHN
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CCCN1CC	ZINC000245478071	370826134	/nfs/dbraw/zinc/82/61/34/370826134.db2.gz	UYUATFTVFYXVOS-CVEARBPZSA-N	0	3	295.471	2.216	10	30		CEEEHN
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CCCN1CC	ZINC000245478072	370827094	/nfs/dbraw/zinc/82/70/94/370827094.db2.gz	UYUATFTVFYXVOS-HZPDHXFCSA-N	0	3	295.471	2.216	10	30		CEEEHN
CCCC(=O)N[C@H]1CCCN(CCCSCC#N)C1	ZINC000173878612	367954429	/nfs/dbraw/zinc/95/44/29/367954429.db2.gz	PGGJTNLROJAWGB-ZDUSSCGKSA-N	0	3	283.441	2.014	10	30		CEEEHN
CCN1CC[C@H](Nc2ncc(Br)cc2C#N)C1	ZINC000389382018	375303361	/nfs/dbraw/zinc/30/33/61/375303361.db2.gz	NAOUUVRCAJPZKV-NSHDSACASA-N	0	3	295.184	2.222	10	30		CEEEHN
C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1	ZINC000034456927	394493821	/nfs/dbraw/zinc/49/38/21/394493821.db2.gz	RDQNANLIGIAWKG-VIFPVBQESA-N	0	3	269.270	2.375	10	30		CEEEHN
N#Cc1ccc(Cl)cc1NC[C@H](O)CN1CCCCC1	ZINC000174683606	395127571	/nfs/dbraw/zinc/12/75/71/395127571.db2.gz	CVYZUCNKWXOVMI-AWEZNQCLSA-N	0	3	293.798	2.470	10	30		CEEEHN
CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(C#N)c1)CC2	ZINC000181938363	165359221	/nfs/dbraw/zinc/35/92/21/165359221.db2.gz	VRQGHPIZSGWMHJ-SWLSCSKDSA-N	0	3	295.390	2.378	10	30		CEEEHN
COc1cccc([C@H](CNCCCC#N)N(C)C)c1	ZINC000020070573	170982558	/nfs/dbraw/zinc/98/25/58/170982558.db2.gz	GROOMFUFKSFDKN-HNNXBMFYSA-N	0	3	261.369	2.191	10	30		CEEEHN
CN(CCC#N)C(=O)CN(C)C1CCCCCC1	ZINC000035175678	172028414	/nfs/dbraw/zinc/02/84/14/172028414.db2.gz	WVTOEABCIXMQCV-UHFFFAOYSA-N	0	3	251.374	2.013	10	30		CEEEHN
C#CCN1CCC(Nc2ccc3c(c2)CCO3)CC1	ZINC000037313448	173116202	/nfs/dbraw/zinc/11/62/02/173116202.db2.gz	MCEFNWGCPFLVBV-UHFFFAOYSA-N	0	3	256.349	2.131	10	30		CEEEHN
CCCN[C@@H](c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000043301260	175001933	/nfs/dbraw/zinc/00/19/33/175001933.db2.gz	JGIGOYUCUYZTKL-CABCVRRESA-N	0	3	292.404	2.034	10	30		CEEEHN
N#CCc1ccc(O[C@H](CN)c2ccncc2)cc1	ZINC000043355190	175022977	/nfs/dbraw/zinc/02/29/77/175022977.db2.gz	VNPAPLTYMBQSGL-OAHLLOKOSA-N	0	3	253.305	2.226	10	30		CEEEHN
CN(C)CCN[C@H](C#N)c1ccc(Cl)c(F)c1	ZINC000043390777	175033547	/nfs/dbraw/zinc/03/35/47/175033547.db2.gz	KMOMTUHKBGNUNZ-GFCCVEGCSA-N	0	3	255.724	2.195	10	30		CEEEHN
NCC#Cc1ccsc1Cn1c(=O)oc2ccccc21	ZINC000043684312	175093127	/nfs/dbraw/zinc/09/31/27/175093127.db2.gz	SHBANIWDEHYAJA-UHFFFAOYSA-N	0	3	284.340	2.015	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN1CCC(OCC)CC1	ZINC000045181558	175325118	/nfs/dbraw/zinc/32/51/18/175325118.db2.gz	KHQGEJMXNSPSRA-OAHLLOKOSA-N	0	3	267.417	2.159	10	30		CEEEHN
C=CCNC(=O)[C@H](C)NCC[C@H](C)c1ccccc1	ZINC000060394149	175638294	/nfs/dbraw/zinc/63/82/94/175638294.db2.gz	YCNTZIJNEGMICM-KBPBESRZSA-N	0	3	260.381	2.461	10	30		CEEEHN
NCC#Cc1cncc(OCc2cccc(F)c2)c1	ZINC000071028975	176021440	/nfs/dbraw/zinc/02/14/40/176021440.db2.gz	QXUDKCWBIUAIHL-UHFFFAOYSA-N	0	3	256.280	2.110	10	30		CEEEHN
CC[C@@H](N)[C@@H](c1ccc(C)o1)N(CCC#N)CCOC	ZINC000071222682	176087990	/nfs/dbraw/zinc/08/79/90/176087990.db2.gz	LSHFVUMDHZARJR-HIFRSBDPSA-N	0	3	279.384	2.229	10	30		CEEEHN
CC[C@H](N)[C@H](c1ccc(C)o1)N(CCC#N)CCOC	ZINC000071222684	176088046	/nfs/dbraw/zinc/08/80/46/176088046.db2.gz	LSHFVUMDHZARJR-DZGCQCFKSA-N	0	3	279.384	2.229	10	30		CEEEHN
Cc1ccc(C#CCN)cc1N1CCCCCC1=O	ZINC000071278322	176107864	/nfs/dbraw/zinc/10/78/64/176107864.db2.gz	IJTVZXOHXVVHQO-UHFFFAOYSA-N	0	3	256.349	2.212	10	30		CEEEHN
CCC(C)(C)C(=O)NCc1ccc(C#CCN)s1	ZINC000071322776	176123513	/nfs/dbraw/zinc/12/35/13/176123513.db2.gz	ZLISFHHMRQULBY-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)NC(C)(C)CC(C)(C)C	ZINC000071541989	176195896	/nfs/dbraw/zinc/19/58/96/176195896.db2.gz	NRNNSAMJDMFBOX-NSHDSACASA-N	0	3	289.441	2.307	10	30		CEEEHN
C#CCOc1ccccc1NC(=O)N1CCN2CCC[C@@H]2C1	ZINC000188052550	260070104	/nfs/dbraw/zinc/07/01/04/260070104.db2.gz	LJIBIEMIZDYXJF-CQSZACIVSA-N	0	3	299.374	2.011	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)c1cc(C)ncc1C#N	ZINC000399569671	266145425	/nfs/dbraw/zinc/14/54/25/266145425.db2.gz	ICOLEZSEHDRLFP-CQSZACIVSA-N	0	3	258.369	2.182	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)CCc1ccc(C#N)cc1	ZINC000177007993	279324706	/nfs/dbraw/zinc/32/47/06/279324706.db2.gz	ZHANEXZAGQGOBT-KRWDZBQOSA-N	0	3	299.418	2.434	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N(CCCOC)CCOC	ZINC000068612873	520032747	/nfs/dbraw/zinc/03/27/47/520032747.db2.gz	PKDPZKOXSBVOII-JKSUJKDBSA-N	0	3	299.459	2.032	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N(CCCOC)CCOC	ZINC000068612871	520102067	/nfs/dbraw/zinc/10/20/67/520102067.db2.gz	PKDPZKOXSBVOII-HOTGVXAUSA-N	0	3	299.459	2.032	10	30		CEEEHN
CC(C)NCc1ccc([N+](=O)[O-])c(O[C@@H](C)C#N)c1	ZINC000050517137	519727442	/nfs/dbraw/zinc/72/74/42/519727442.db2.gz	NIPMKBBOBDJJGS-JTQLQIEISA-N	0	3	263.297	2.384	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCCN1CCN([C@@H](C)CC)CC1	ZINC000055070202	520128172	/nfs/dbraw/zinc/12/81/72/520128172.db2.gz	PHGZXBJOEQGIPC-DLBZAZTESA-N	0	3	294.487	2.465	10	30		CEEEHN
CCCCOC[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000227889318	520809620	/nfs/dbraw/zinc/80/96/20/520809620.db2.gz	RKDYOMGVAMSYCU-XJKSGUPXSA-N	0	3	276.380	2.386	10	30		CEEEHN
CC[C@H](C)N1CCN([C@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068615034	523959074	/nfs/dbraw/zinc/95/90/74/523959074.db2.gz	HSVRYGHMRQQGPA-BBWFWOEESA-N	0	3	294.487	2.461	10	30		CEEEHN
CC[C@H](C)N1CCN(c2ccc(C#N)cc2N)CC1	ZINC000055066623	523960056	/nfs/dbraw/zinc/96/00/56/523960056.db2.gz	AWVIMLAWGGWYCI-LBPRGKRZSA-N	0	3	258.369	2.061	10	30		CEEEHN
N#Cc1ccsc1NC(=O)[C@H](CN)c1ccccc1	ZINC000061612683	526771130	/nfs/dbraw/zinc/77/11/30/526771130.db2.gz	ZKKMOCTVBUCMBU-GFCCVEGCSA-N	0	3	271.345	2.301	10	30		CEEEHN
CN[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1=O	ZINC000088191978	536365947	/nfs/dbraw/zinc/36/59/47/536365947.db2.gz	LNGKNMBFXPGHEH-GFCCVEGCSA-N	0	3	297.280	2.292	10	30		CEEEHN
C=CCCO[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000125167013	187172766	/nfs/dbraw/zinc/17/27/66/187172766.db2.gz	ZHAOJHDSLIALFD-GOEBONIOSA-N	0	3	290.407	2.387	10	30		CEEEHN
CC(C)Cc1ccc([C@H](C)NCC(=O)NCC#N)cc1	ZINC000154307126	344433717	/nfs/dbraw/zinc/43/37/17/344433717.db2.gz	NYWGIRIJVKRJIN-ZDUSSCGKSA-N	0	3	273.380	2.175	10	30		CEEEHN
CC(C)Cc1ccc([C@@H](C)NCC(=O)NCC#N)cc1	ZINC000154307020	344434055	/nfs/dbraw/zinc/43/40/55/344434055.db2.gz	NYWGIRIJVKRJIN-CYBMUJFWSA-N	0	3	273.380	2.175	10	30		CEEEHN
CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](CC)CN1	ZINC000086447497	179295733	/nfs/dbraw/zinc/29/57/33/179295733.db2.gz	FGJLZMHHOGXZGT-HUUCEWRRSA-N	0	3	271.364	2.161	10	30		CEEEHN
COCCCSCc1ccc(F)c(C#CCN)c1	ZINC000104438338	186002622	/nfs/dbraw/zinc/00/26/22/186002622.db2.gz	YUMNKOSWHUAHCC-UHFFFAOYSA-N	0	3	267.369	2.406	10	30		CEEEHN
NCC#Cc1ccc(COc2ccccc2CO)cc1	ZINC000110994491	186341749	/nfs/dbraw/zinc/34/17/49/186341749.db2.gz	CBCMGXHKNYGISU-UHFFFAOYSA-N	0	3	267.328	2.068	10	30		CEEEHN
NCC#Cc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000111102432	186352466	/nfs/dbraw/zinc/35/24/66/186352466.db2.gz	HUYVKUWFDZUCLI-ZMSDIMECSA-N	0	3	282.387	2.163	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)C(C#N)(CC)CC	ZINC000092630801	364089229	/nfs/dbraw/zinc/08/92/29/364089229.db2.gz	IMVCHSYECXRSFT-CYBMUJFWSA-N	0	3	265.401	2.259	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1ccc(Cl)cc1	ZINC000095081765	364334085	/nfs/dbraw/zinc/33/40/85/364334085.db2.gz	SLVNWDXJBLPKLZ-UHFFFAOYSA-N	0	3	252.745	2.074	10	30		CEEEHN
CC[C@@H]1CN(CC(C)(C)CCC#N)CCN1C[C@H](C)O	ZINC000245702701	370860540	/nfs/dbraw/zinc/86/05/40/370860540.db2.gz	DKCQCPRTSKFHKT-LSDHHAIUSA-N	0	3	281.444	2.093	10	30		CEEEHN
CN(C(=O)[C@H]1CCCCCN1)c1cccc(C#N)c1	ZINC000081001022	177753177	/nfs/dbraw/zinc/75/31/77/177753177.db2.gz	AFIBCMDGAVGEIQ-CQSZACIVSA-N	0	3	257.337	2.053	10	30		CEEEHN
NCC#Cc1cncc(O[C@H]2CCOC3(CCCC3)C2)c1	ZINC000094408557	184794141	/nfs/dbraw/zinc/79/41/41/184794141.db2.gz	KROAEQSCGVYXIE-HNNXBMFYSA-N	0	3	286.375	2.262	10	30		CEEEHN
CC[C@H]1CN(CC(C)(C)CCC#N)CCN1C[C@@H](C)O	ZINC000120772687	394784061	/nfs/dbraw/zinc/78/40/61/394784061.db2.gz	DKCQCPRTSKFHKT-CABCVRRESA-N	0	3	281.444	2.093	10	30		CEEEHN
N#Cc1ccccc1CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1	ZINC000398808120	395237756	/nfs/dbraw/zinc/23/77/56/395237756.db2.gz	UNCYWIKRTHMBSR-HRCADAONSA-N	0	3	256.349	2.151	10	30		CEEEHN
CC[C@@H](C)CN(C)C(=O)c1ccccc1C#CCN	ZINC000037571210	173521579	/nfs/dbraw/zinc/52/15/79/173521579.db2.gz	GTPLDDDZPSWMJW-CYBMUJFWSA-N	0	3	258.365	2.115	10	30		CEEEHN
CN(Cc1sccc1C#CCCO)[C@H]1CCSC1	ZINC000043679542	175090259	/nfs/dbraw/zinc/09/02/59/175090259.db2.gz	WCEQVNCMLJHBGI-ZDUSSCGKSA-N	0	3	281.446	2.419	10	30		CEEEHN
CN(Cc1sccc1C#CCN)Cc1cccnc1	ZINC000043683733	175092138	/nfs/dbraw/zinc/09/21/38/175092138.db2.gz	KLTPWMNFKNHVPU-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
C#CCOc1c(CNCCCOCC)cccc1OC	ZINC000045945712	175388093	/nfs/dbraw/zinc/38/80/93/175388093.db2.gz	WLOYHMWXUOPCMR-UHFFFAOYSA-N	0	3	277.364	2.223	10	30		CEEEHN
C#CCCOc1cc(CNC(C)C)ccc1[N+](=O)[O-]	ZINC000050517167	175517186	/nfs/dbraw/zinc/51/71/86/175517186.db2.gz	HZILFOBSUKIBIJ-UHFFFAOYSA-N	0	3	262.309	2.495	10	30		CEEEHN
N#C[C@H]1CC(=O)N(C2CCN(Cc3ccccc3)CC2)C1	ZINC000070492305	175955472	/nfs/dbraw/zinc/95/54/72/175955472.db2.gz	PHKJKLYXHGREBV-OAHLLOKOSA-N	0	3	283.375	2.023	10	30		CEEEHN
C=CCCOc1cc(OC)ccc1CNCCOC	ZINC000071275037	176105986	/nfs/dbraw/zinc/10/59/86/176105986.db2.gz	HAXNTLPLNLVRGO-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
N#Cc1ccc(OCCN2CCCCC2)c([N+](=O)[O-])c1	ZINC000076853428	177121300	/nfs/dbraw/zinc/12/13/00/177121300.db2.gz	VXWGQSPWXKALBD-UHFFFAOYSA-N	0	3	275.308	2.331	10	30		CEEEHN
C#CCOc1ccccc1NC(=O)N1CCN2CCC[C@H]2C1	ZINC000188052573	260070319	/nfs/dbraw/zinc/07/03/19/260070319.db2.gz	LJIBIEMIZDYXJF-AWEZNQCLSA-N	0	3	299.374	2.011	10	30		CEEEHN
CC[C@@H]1CN(CCCC(C)(C)C#N)CCN1CCOC	ZINC000174849422	261199259	/nfs/dbraw/zinc/19/92/59/261199259.db2.gz	PSLYOVBZSICOEA-OAHLLOKOSA-N	0	3	281.444	2.359	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl	ZINC000114709908	274374636	/nfs/dbraw/zinc/37/46/36/274374636.db2.gz	RHCPLYPACIMUIS-ZYHUDNBSSA-N	0	3	276.771	2.280	10	30		CEEEHN
N#Cc1cc(F)c(NC[C@@H](O)CN2CCCCC2)c(F)c1	ZINC000174683589	303182549	/nfs/dbraw/zinc/18/25/49/303182549.db2.gz	DNZSNSHVSMVFPE-GFCCVEGCSA-N	0	3	295.333	2.095	10	30		CEEEHN
C=CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000186023404	329336018	/nfs/dbraw/zinc/33/60/18/329336018.db2.gz	MVUDYFNNVUHOOS-RWMBFGLXSA-N	0	3	266.385	2.408	10	30		CEEEHN
CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCN(C(C)C)CC1	ZINC000068611653	519739459	/nfs/dbraw/zinc/73/94/59/519739459.db2.gz	IBAWXIQWNJHKLA-CVEARBPZSA-N	0	3	280.460	2.071	10	30		CEEEHN
CCCN[C@H](C#N)CCN(CCOC)[C@@H](C)CC	ZINC000062437400	520059580	/nfs/dbraw/zinc/05/95/80/520059580.db2.gz	JPNHFAQKURANQS-KBPBESRZSA-N	0	3	255.406	2.015	10	30		CEEEHN
CCOC(=O)N1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000054824407	520931241	/nfs/dbraw/zinc/93/12/41/520931241.db2.gz	FBIABURFRAODDN-GXTWGEPZSA-N	0	3	279.384	2.279	10	30		CEEEHN
CNCc1cc(OC)c(OCCCCC#N)c(OC)c1	ZINC000049578341	522113848	/nfs/dbraw/zinc/11/38/48/522113848.db2.gz	DXWGWTFZJNHZOV-UHFFFAOYSA-N	0	3	278.352	2.496	10	30		CEEEHN
COCC1CCN([C@@H](C)C[C@](C)(C#N)NC2CC2)CC1	ZINC000068616616	522934769	/nfs/dbraw/zinc/93/47/69/522934769.db2.gz	ZNXLDMQRQPGBNH-XJKSGUPXSA-N	0	3	279.428	2.158	10	30		CEEEHN
CC[C@H](C#N)Oc1ccc(CNCCOC)cc1[N+](=O)[O-]	ZINC000062730750	523749961	/nfs/dbraw/zinc/74/99/61/523749961.db2.gz	ORQVDTMNWPTRTK-GFCCVEGCSA-N	0	3	293.323	2.012	10	30		CEEEHN
Cc1nnc(SCc2sccc2C#CCN)o1	ZINC000051038613	526387734	/nfs/dbraw/zinc/38/77/34/526387734.db2.gz	CLVNIIDTWTWGBM-UHFFFAOYSA-N	0	3	265.363	2.042	10	30		CEEEHN
N#Cc1ccccc1NC(=O)[C@H](CN)c1ccccc1	ZINC000061610836	526743022	/nfs/dbraw/zinc/74/30/22/526743022.db2.gz	PDEYPZYPTSIJPY-CQSZACIVSA-N	0	3	265.316	2.239	10	30		CEEEHN
N#Cc1cc(Cl)nc(N2CCN(CC3CC3)CC2)c1	ZINC000122683207	344307534	/nfs/dbraw/zinc/30/75/34/344307534.db2.gz	ITTNBWKYRRCMMZ-UHFFFAOYSA-N	0	3	276.771	2.139	10	30		CEEEHN
C=CCOc1ccc(CNC[C@H]2CN(CC)CCO2)cc1	ZINC000134439730	344374062	/nfs/dbraw/zinc/37/40/62/344374062.db2.gz	JISDNBQXCMXUJQ-KRWDZBQOSA-N	0	3	290.407	2.062	10	30		CEEEHN
Cc1cccc(NC(=O)N(C)C[C@H]2CCc3nccn3C2)n1	ZINC000328645419	344758057	/nfs/dbraw/zinc/75/80/57/344758057.db2.gz	ZQKJKODDTIPZJT-CYBMUJFWSA-N	0	3	299.378	2.326	10	30		CEEEHN
C[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCC1	ZINC000594432800	345628272	/nfs/dbraw/zinc/62/82/72/345628272.db2.gz	BWKMLGCWRCLMCB-AAEUAGOBSA-N	0	3	251.374	2.093	10	30		CEEEHN
CCC1CCC(O)(CNCc2ccnc(C#N)c2)CC1	ZINC000087065912	179390029	/nfs/dbraw/zinc/39/00/29/179390029.db2.gz	DUASJJPIVORWJM-UHFFFAOYSA-N	0	3	273.380	2.374	10	30		CEEEHN
C=CCCC(=O)N1CCCSC[C@@H]1CN1CCCC1	ZINC000090700490	180027681	/nfs/dbraw/zinc/02/76/81/180027681.db2.gz	LRNYPEVXAZSXSC-AWEZNQCLSA-N	0	3	282.453	2.383	10	30		CEEEHN
CSc1cccc(NC(=O)c2ccncc2C#CCN)c1	ZINC000091460815	180161795	/nfs/dbraw/zinc/16/17/95/180161795.db2.gz	OPGVISSMJPMVPD-UHFFFAOYSA-N	0	3	297.383	2.366	10	30		CEEEHN
CCCCCN(C(=O)c1ccncc1C#CCN)C(C)C	ZINC000091462492	180162130	/nfs/dbraw/zinc/16/21/30/180162130.db2.gz	HUMQTHNCEAQHKN-UHFFFAOYSA-N	0	3	287.407	2.433	10	30		CEEEHN
CC1(C)C(C(=O)NCc2ccc(C#CCN)s2)C1(C)C	ZINC000091493015	180170730	/nfs/dbraw/zinc/17/07/30/180170730.db2.gz	FXDJKFUUJAQLQF-UHFFFAOYSA-N	0	3	290.432	2.357	10	30		CEEEHN
Cc1c(C#CCN)cccc1C(=O)N1C[C@H](C)[C@H](C)C1	ZINC000092112284	180327230	/nfs/dbraw/zinc/32/72/30/180327230.db2.gz	YVJJQCVVXBPLGO-BETUJISGSA-N	0	3	270.376	2.033	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1ccc(SC)cc1	ZINC000105857031	186079230	/nfs/dbraw/zinc/07/92/30/186079230.db2.gz	DZCHMBQYBYJJCT-UHFFFAOYSA-N	0	3	264.394	2.143	10	30		CEEEHN
N#CCc1nc2ccccc2n1Cc1cc(N)ccn1	ZINC000092419822	180382028	/nfs/dbraw/zinc/38/20/28/180382028.db2.gz	RDAIEACAWKEFAS-UHFFFAOYSA-N	0	3	263.304	2.128	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccc(OCC)cc1	ZINC000092474299	180393959	/nfs/dbraw/zinc/39/39/59/180393959.db2.gz	PSBISGRWVPLXJG-LBPRGKRZSA-N	0	3	262.353	2.038	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@H](C)c1cc(F)ccc1F	ZINC000092474679	180393990	/nfs/dbraw/zinc/39/39/90/180393990.db2.gz	NTQOQKKVZVSUAG-SNVBAGLBSA-N	0	3	268.307	2.260	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](CCC)c1cccs1	ZINC000092475570	180394073	/nfs/dbraw/zinc/39/40/73/180394073.db2.gz	MVALLGJFXYJEKC-NSHDSACASA-N	0	3	252.383	2.481	10	30		CEEEHN
C=CCNCC(=O)N[C@H]1CCCc2sccc21	ZINC000092475747	180394113	/nfs/dbraw/zinc/39/41/13/180394113.db2.gz	QFRNVAWXAWAOCA-NSHDSACASA-N	0	3	250.367	2.017	10	30		CEEEHN
CCC[C@H](C#N)C(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000110250483	186288432	/nfs/dbraw/zinc/28/84/32/186288432.db2.gz	AVWLBEUNJQDURO-KGLIPLIRSA-N	0	3	263.385	2.013	10	30		CEEEHN
CCC[C@@H](C#N)C(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000110250486	186288555	/nfs/dbraw/zinc/28/85/55/186288555.db2.gz	AVWLBEUNJQDURO-UONOGXRCSA-N	0	3	263.385	2.013	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1ccc(C#CCN)cc1	ZINC000110847590	186328985	/nfs/dbraw/zinc/32/89/85/186328985.db2.gz	RQAYVBWKJPJYSB-UHFFFAOYSA-N	0	3	270.376	2.259	10	30		CEEEHN
CCCOCCOCc1ccc(C#CCN)cc1F	ZINC000111109711	186353722	/nfs/dbraw/zinc/35/37/22/186353722.db2.gz	DKDUWNQKGFYPMN-UHFFFAOYSA-N	0	3	265.328	2.079	10	30		CEEEHN
NCC#Cc1cccc(CSc2ccncn2)c1	ZINC000111114983	186353737	/nfs/dbraw/zinc/35/37/37/186353737.db2.gz	LLHLXZSKVDDYJY-UHFFFAOYSA-N	0	3	255.346	2.079	10	30		CEEEHN
NCC#Cc1cnc(NC(=O)c2ccc3[nH]ccc3c2)s1	ZINC000111289324	186390840	/nfs/dbraw/zinc/39/08/40/186390840.db2.gz	JLROUKFSNBKLEE-UHFFFAOYSA-N	0	3	296.355	2.187	10	30		CEEEHN
C=CCC[C@H](CN1CCCOCC1)Oc1nccc(C)n1	ZINC000072477285	363137517	/nfs/dbraw/zinc/13/75/17/363137517.db2.gz	GWZLXTSMPXUPAJ-OAHLLOKOSA-N	0	3	291.395	2.221	10	30		CEEEHN
N#Cc1ccc(OCCN2CCN3CCCC[C@@H]3C2)cc1	ZINC000090824810	364066798	/nfs/dbraw/zinc/06/67/98/364066798.db2.gz	GIYOENKARHSWRZ-MRXNPFEDSA-N	0	3	285.391	2.107	10	30		CEEEHN
C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccccc1C#N	ZINC000183087273	299343622	/nfs/dbraw/zinc/34/36/22/299343622.db2.gz	HEUBZYGQGDSFQL-HUBLWGQQSA-N	0	3	287.363	2.042	10	30		CEEEHN
Cn1cc([C@H]2CCN(CCOc3ccccc3C#N)C2)cn1	ZINC000116322445	365051852	/nfs/dbraw/zinc/05/18/52/365051852.db2.gz	GAWMBDPKEJCXQY-HNNXBMFYSA-N	0	3	296.374	2.160	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)c2ccc(C#N)cc2C)C1	ZINC000121038235	365514841	/nfs/dbraw/zinc/51/48/41/365514841.db2.gz	KTARECGSTOANFH-CQSZACIVSA-N	0	3	271.364	2.081	10	30		CEEEHN
C=C(Br)CN1CCN2CCCC[C@H]2C1	ZINC000246279118	370941359	/nfs/dbraw/zinc/94/13/59/370941359.db2.gz	AUQGCULFZIBMHW-NSHDSACASA-N	0	3	259.191	2.065	10	30		CEEEHN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCCC#N	ZINC000249730050	371357309	/nfs/dbraw/zinc/35/73/09/371357309.db2.gz	YUVAEGVFWHEQHF-MJBXVCDLSA-N	0	3	264.369	2.486	10	30		CEEEHN
COCCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000246359943	285051615	/nfs/dbraw/zinc/05/16/15/285051615.db2.gz	KZKMOFUFYPZCNE-LSDHHAIUSA-N	0	3	287.407	2.272	10	30		CEEEHN
CCN[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1=O	ZINC000086115335	135038451	/nfs/dbraw/zinc/03/84/51/135038451.db2.gz	HUHHMBOXHDEKKB-GFCCVEGCSA-N	0	3	277.755	2.317	10	30		CEEEHN
N#Cc1cnc2ccccc2c1N1CCN2CCC[C@@H]2C1	ZINC000089709891	394649612	/nfs/dbraw/zinc/64/96/12/394649612.db2.gz	NTHJACGEFARTGW-CQSZACIVSA-N	0	3	278.359	2.391	10	30		CEEEHN
COc1cc(C(C#N)C(=O)[C@H]2CCCO2)ccc1C	ZINC000037347351	173144027	/nfs/dbraw/zinc/14/40/27/173144027.db2.gz	IOGPNLPKHPDVOD-CHWSQXEVSA-N	0	3	259.305	2.359	10	30		CEEEHN
COc1cc(C(C#N)C(=O)[C@H]2CCCO2)ccc1C	ZINC000037347353	173144350	/nfs/dbraw/zinc/14/43/50/173144350.db2.gz	IOGPNLPKHPDVOD-QWHCGFSZSA-N	0	3	259.305	2.359	10	30		CEEEHN
CN1CCC(NC(=O)C2(C#N)CCCCCC2)CC1	ZINC000044765601	175249134	/nfs/dbraw/zinc/24/91/34/175249134.db2.gz	NSWDDSTYUFIZIN-UHFFFAOYSA-N	0	3	263.385	2.061	10	30		CEEEHN
CN1CCC[C@@H](CNC(=O)C2(C#N)CCCCCC2)C1	ZINC000044767394	175250104	/nfs/dbraw/zinc/25/01/04/175250104.db2.gz	OTGRSIQUDPEVPB-AWEZNQCLSA-N	0	3	277.412	2.309	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCc1ccncc1	ZINC000044813789	175258196	/nfs/dbraw/zinc/25/81/96/175258196.db2.gz	GJGMTRZQMNFWFJ-OAHLLOKOSA-N	0	3	265.316	2.080	10	30		CEEEHN
CCOC1CCN(CC[C@](C)(C#N)NC(C)C)CC1	ZINC000045181562	175324601	/nfs/dbraw/zinc/32/46/01/175324601.db2.gz	SEQWWMXODFAJIW-OAHLLOKOSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN(C)C[C@@H]1CCCCO1	ZINC000045181888	175325096	/nfs/dbraw/zinc/32/50/96/175325096.db2.gz	OFECKOZMRNYXAG-LSDHHAIUSA-N	0	3	267.417	2.159	10	30		CEEEHN
CCC[C@@H]1C[C@@](C#N)(NCCN(CC)CC)CCO1	ZINC000070367263	175896608	/nfs/dbraw/zinc/89/66/08/175896608.db2.gz	NEWLTVKLRYDNIV-CABCVRRESA-N	0	3	267.417	2.159	10	30		CEEEHN
CCCCCCNC(=O)c1ccc(C#CCN)cc1	ZINC000070469053	175948840	/nfs/dbraw/zinc/94/88/40/175948840.db2.gz	DKADOENOPNAFCZ-UHFFFAOYSA-N	0	3	258.365	2.307	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(F)c1	ZINC000398988018	270364689	/nfs/dbraw/zinc/36/46/89/270364689.db2.gz	GKQTVGYBBVTFPI-NWANDNLSSA-N	0	3	274.339	2.290	10	30		CEEEHN
N#Cc1ccc(F)c(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1	ZINC000398987027	270365319	/nfs/dbraw/zinc/36/53/19/270365319.db2.gz	FXIKAAMJKXRTBQ-GZBFAFLISA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@@H]1CN(c2cccc(Br)c2C#N)CCN1	ZINC000161815045	274364964	/nfs/dbraw/zinc/36/49/64/274364964.db2.gz	UOOCEHSTBHRFFO-SECBINFHSA-N	0	3	280.169	2.119	10	30		CEEEHN
CCc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424068358	330219569	/nfs/dbraw/zinc/21/95/69/330219569.db2.gz	RPFIYEAPCPAFBG-DOMZBBRYSA-N	0	3	273.380	2.447	10	30		CEEEHN
CN(CC(=O)OC(C)(C)C)C1CCN(CCCC#N)CC1	ZINC000191977857	333228085	/nfs/dbraw/zinc/22/80/85/333228085.db2.gz	IMIFBXZWVRRGLN-UHFFFAOYSA-N	0	3	295.427	2.028	10	30		CEEEHN
C[C@H](C#N)CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000130986952	333892857	/nfs/dbraw/zinc/89/28/57/333892857.db2.gz	YLNHEIGGISEFMH-OLZOCXBDSA-N	0	3	281.400	2.383	10	30		CEEEHN
CCNC(C)(C)C(=O)N(CCC#N)c1ccccc1	ZINC000061288245	519904153	/nfs/dbraw/zinc/90/41/53/519904153.db2.gz	NIXGGNQEMWWJLD-UHFFFAOYSA-N	0	3	259.353	2.321	10	30		CEEEHN
CCCN[C@@H](C#N)CCN(CCOC)[C@@H](C)CC	ZINC000062437402	519982650	/nfs/dbraw/zinc/98/26/50/519982650.db2.gz	JPNHFAQKURANQS-UONOGXRCSA-N	0	3	255.406	2.015	10	30		CEEEHN
CC[C@@H](C)N1CCN(CC2(C=O)CCCC2)CC1	ZINC000055071413	522118885	/nfs/dbraw/zinc/11/88/85/522118885.db2.gz	DJNAYEWJBIZXKT-CQSZACIVSA-N	0	3	252.402	2.162	10	30		CEEEHN
Cc1ccc(NC(=O)C[C@@H]2CCCCO2)c(C#CCN)c1	ZINC000095032768	518189263	/nfs/dbraw/zinc/18/92/63/518189263.db2.gz	JJEOPKMZTTVPEA-HNNXBMFYSA-N	0	3	286.375	2.203	10	30		CEEEHN
CC(C)(C)NCc1nccn1Cc1cccnc1C#N	ZINC000061659615	518767646	/nfs/dbraw/zinc/76/76/46/518767646.db2.gz	HTRBVSLXVFJLPZ-UHFFFAOYSA-N	0	3	269.352	2.086	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616442	519735776	/nfs/dbraw/zinc/73/57/76/519735776.db2.gz	OXKHVWUEYBQLFK-GDBMZVCRSA-N	0	3	280.460	2.071	10	30		CEEEHN
CC(C)N[C@](C)(C#N)C[C@H](C)N1CCN(C(C)C)CC1	ZINC000068611662	519739347	/nfs/dbraw/zinc/73/93/47/519739347.db2.gz	IBAWXIQWNJHKLA-HOTGVXAUSA-N	0	3	280.460	2.071	10	30		CEEEHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C#N)c1ccccc1	ZINC000061615024	519775319	/nfs/dbraw/zinc/77/53/19/519775319.db2.gz	MZESPNTUVIMCQO-JKSUJKDBSA-N	0	3	287.407	2.386	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000049105798	522358516	/nfs/dbraw/zinc/35/85/16/522358516.db2.gz	VSONWXCLKJGVMV-OLZOCXBDSA-N	0	3	258.365	2.161	10	30		CEEEHN
COCCN(CC[C@H](C#N)NC(C)C)[C@@H](C)C1CC1	ZINC000062437294	523727185	/nfs/dbraw/zinc/72/71/85/523727185.db2.gz	SWVPWWQMURTLOM-DZGCQCFKSA-N	0	3	267.417	2.014	10	30		CEEEHN
CC[C@H](C#N)Oc1ccc(CNCCOC)cc1OC	ZINC000062731975	523750950	/nfs/dbraw/zinc/75/09/50/523750950.db2.gz	IHKZPSSTVXVPHR-CYBMUJFWSA-N	0	3	278.352	2.112	10	30		CEEEHN
C/[N+]([O-])=C\c1ccc(OCc2nnsc2Cl)cc1	ZINC000225440861	344545834	/nfs/dbraw/zinc/54/58/34/344545834.db2.gz	MWIDZGJGWIPGAI-GIDUJCDVSA-N	0	3	284.748	2.221	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@@H](C)N(C)C[C@@H]1CCCCO1	ZINC000084293257	178845345	/nfs/dbraw/zinc/84/53/45/178845345.db2.gz	VBHDHHYCXQEYCR-ILXRZTDVSA-N	0	3	267.417	2.158	10	30		CEEEHN
N#CC1(c2ccccc2)CC(N[C@H]2CCN(C3CC3)C2)C1	ZINC000086037753	179221262	/nfs/dbraw/zinc/22/12/62/179221262.db2.gz	FDBJHQDWMHQOSP-HJOIGYKYSA-N	0	3	281.403	2.437	10	30		CEEEHN
CCCCCCC[C@@H](NCCN(C)C)C(=O)OCC	ZINC000103082724	185806984	/nfs/dbraw/zinc/80/69/84/185806984.db2.gz	UBYAAQDJLZGFQC-CQSZACIVSA-N	0	3	272.433	2.430	10	30		CEEEHN
COCCNCc1cccc(S[C@H](C)C#N)c1	ZINC000090873117	180050007	/nfs/dbraw/zinc/05/00/07/180050007.db2.gz	OYUGLJDUEKTIMO-LLVKDONJSA-N	0	3	250.367	2.427	10	30		CEEEHN
NCC#Cc1ccccc1OC[C@@H]1Cc2ccccc2O1	ZINC000090876381	180051654	/nfs/dbraw/zinc/05/16/54/180051654.db2.gz	AVVREWXSPKHJFB-INIZCTEOSA-N	0	3	279.339	2.379	10	30		CEEEHN
CCc1cccc(NC(=O)c2ccncc2C#CCN)c1	ZINC000091461111	180161238	/nfs/dbraw/zinc/16/12/38/180161238.db2.gz	IVLXZEZDVAJPAC-UHFFFAOYSA-N	0	3	279.343	2.207	10	30		CEEEHN
C[C@@H]1CCCCC[C@H]1NC(=O)c1ccncc1C#CCN	ZINC000091463685	180162342	/nfs/dbraw/zinc/16/23/42/180162342.db2.gz	VKLTUHGANNJYQX-CZUORRHYSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC1(C)CCC(NC(=O)c2ccncc2C#CCN)CC1	ZINC000091463437	180162590	/nfs/dbraw/zinc/16/25/90/180162590.db2.gz	VMQIEXORFFJMNH-UHFFFAOYSA-N	0	3	285.391	2.090	10	30		CEEEHN
CSC1(C#N)CCN([C@H]2CCCC[C@H]2O)CC1	ZINC000091471821	180165620	/nfs/dbraw/zinc/16/56/20/180165620.db2.gz	OBDRRSOEUJHSGJ-NWDGAFQWSA-N	0	3	254.399	2.011	10	30		CEEEHN
C[C@@H](NC(=O)N1CCCCC1)c1ccc(C#CCN)cc1	ZINC000091969683	180294916	/nfs/dbraw/zinc/29/49/16/180294916.db2.gz	KMFZUAIZHAAAFG-CQSZACIVSA-N	0	3	285.391	2.253	10	30		CEEEHN
N#C[C@@]1([C@]2(O)CCN(C3CC3)C2)CCc2ccccc2C1	ZINC000091878822	180279134	/nfs/dbraw/zinc/27/91/34/180279134.db2.gz	YONZAWPXLAJEAR-MSOLQXFVSA-N	0	3	282.387	2.284	10	30		CEEEHN
CCN(C)C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000091992529	180300381	/nfs/dbraw/zinc/30/03/81/180300381.db2.gz	CDQOFURENUNIHK-UHFFFAOYSA-N	0	3	265.744	2.134	10	30		CEEEHN
C=CCNCC(=O)N(CC)Cc1cccc(Cl)c1	ZINC000092474686	180394052	/nfs/dbraw/zinc/39/40/52/180394052.db2.gz	TXMGHDAXUBWCQB-UHFFFAOYSA-N	0	3	266.772	2.464	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccccc1OC(F)F	ZINC000092474110	180394093	/nfs/dbraw/zinc/39/40/93/180394093.db2.gz	OJOIJYHNDURJKC-JTQLQIEISA-N	0	3	284.306	2.241	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCN1CCN(C)C(C)(C)C1	ZINC000110737489	186319482	/nfs/dbraw/zinc/31/94/82/186319482.db2.gz	MVGFTEZCDYEXEK-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C	ZINC000147747680	539807331	/nfs/dbraw/zinc/80/73/31/539807331.db2.gz	NISCTLIJYHHWHM-HNNXBMFYSA-N	0	3	294.420	2.356	10	30		CEEEHN
C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCO1	ZINC000183202159	189349967	/nfs/dbraw/zinc/34/99/67/189349967.db2.gz	VZPZXKFCHKGUPU-XUJVJEKNSA-N	0	3	287.363	2.042	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)C1(C#N)CCCC1	ZINC000092630791	364090984	/nfs/dbraw/zinc/09/09/84/364090984.db2.gz	CYDSADYJZXFTKE-CYBMUJFWSA-N	0	3	263.385	2.013	10	30		CEEEHN
C=C(Br)CN1C[C@H]2CCCN2C[C@H]1C	ZINC000113518238	364903499	/nfs/dbraw/zinc/90/34/99/364903499.db2.gz	JAPLLDJMCDPGMF-GHMZBOCLSA-N	0	3	259.191	2.064	10	30		CEEEHN
C=CCC[C@H](O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC	ZINC000246013475	370899882	/nfs/dbraw/zinc/89/98/82/370899882.db2.gz	LRSIFOGFCIDANW-XQLPTFJDSA-N	0	3	281.396	2.120	10	30		CEEEHN
COc1cc(CN2CCC[C@H]2CCCO)ccc1C#N	ZINC000234980459	370552554	/nfs/dbraw/zinc/55/25/54/370552554.db2.gz	VWDFTYLPKCNXBM-HNNXBMFYSA-N	0	3	274.364	2.304	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccc(C#N)c2)C1	ZINC000246731197	371001195	/nfs/dbraw/zinc/00/11/95/371001195.db2.gz	AOFPYTOXCKJFRQ-IUODEOHRSA-N	0	3	271.364	2.017	10	30		CEEEHN
NCC#Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cs1	ZINC000093976256	184747110	/nfs/dbraw/zinc/74/71/10/184747110.db2.gz	HKQIHGXPYULUOO-HZPDHXFCSA-N	0	3	296.395	2.344	10	30		CEEEHN
Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)N(C)CCC#N	ZINC000122333530	394811130	/nfs/dbraw/zinc/81/11/30/394811130.db2.gz	QWLBQELYJVTUSH-KBPBESRZSA-N	0	3	273.380	2.406	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1C[C@H](C)[C@H](N2CCOCC2)C1	ZINC000186253527	395289076	/nfs/dbraw/zinc/28/90/76/395289076.db2.gz	IFCBUVYSXAREGP-MAUKXSAKSA-N	0	3	299.418	2.019	10	30		CEEEHN
N#Cc1cccc(CN2CCN3CCCC[C@@H]3C2)c1F	ZINC000223564432	153316021	/nfs/dbraw/zinc/31/60/21/153316021.db2.gz	INFAZBJZXYGZSC-OAHLLOKOSA-N	0	3	273.355	2.367	10	30		CEEEHN
COc1ccc(C)cc1C(C#N)C(=O)[C@H]1CCCO1	ZINC000037345856	173143183	/nfs/dbraw/zinc/14/31/83/173143183.db2.gz	GGWQVGNFQCVFQB-TZMCWYRMSA-N	0	3	259.305	2.359	10	30		CEEEHN
CCN(Cc1sccc1C#CCN)C[C@@H](C)C#N	ZINC000043684144	175092781	/nfs/dbraw/zinc/09/27/81/175092781.db2.gz	XABJZGSHBQYGMA-LBPRGKRZSA-N	0	3	261.394	2.040	10	30		CEEEHN
C[C@@H]1CN(Cc2ccc(C#CCN)s2)CC(C)(C)O1	ZINC000045707035	175382826	/nfs/dbraw/zinc/38/28/26/175382826.db2.gz	JJMQLEDUBGTAOH-GFCCVEGCSA-N	0	3	278.421	2.058	10	30		CEEEHN
C#CCOc1ccc(Cl)cc1CNCCCOC	ZINC000045945977	175387762	/nfs/dbraw/zinc/38/77/62/175387762.db2.gz	FGABCTXRURSZKL-UHFFFAOYSA-N	0	3	267.756	2.478	10	30		CEEEHN
CCCN[C@@H]1CCCN(c2cc(C#N)ccc2C)C1=O	ZINC000071042232	176028514	/nfs/dbraw/zinc/02/85/14/176028514.db2.gz	AIRCIVGIRZVJBW-CQSZACIVSA-N	0	3	271.364	2.362	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000071322930	176123604	/nfs/dbraw/zinc/12/36/04/176123604.db2.gz	CUKYBFGWSDLOMI-ZOWXZIJZSA-N	0	3	288.416	2.111	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)N(CCCC)CCCC	ZINC000071552971	176196699	/nfs/dbraw/zinc/19/66/99/176196699.db2.gz	HYTRLKYSJFIPHM-ZDUSSCGKSA-N	0	3	289.441	2.405	10	30		CEEEHN
Cc1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2C#N	ZINC000071678145	176242820	/nfs/dbraw/zinc/24/28/20/176242820.db2.gz	HMNZDZMFDDTVKO-AAEUAGOBSA-N	0	3	256.305	2.195	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(F)c1	ZINC000398988015	270364782	/nfs/dbraw/zinc/36/47/82/270364782.db2.gz	GKQTVGYBBVTFPI-AEGPPILISA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H](C)CN1	ZINC000086471053	274361106	/nfs/dbraw/zinc/36/11/06/274361106.db2.gz	MYVUAOFYEAIUDG-NEPJUHHUSA-N	0	3	266.348	2.293	10	30		CEEEHN
C[C@@H]1CN(c2ccc(Br)cc2C#N)CCN1	ZINC000161813425	274362048	/nfs/dbraw/zinc/36/20/48/274362048.db2.gz	IIQJFRGMJCOTQH-SECBINFHSA-N	0	3	280.169	2.119	10	30		CEEEHN
C=C[C@](C)(CC)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000248901434	334321334	/nfs/dbraw/zinc/32/13/34/334321334.db2.gz	HIVXONJWMPSKFY-VNHYZAJKSA-N	0	3	252.402	2.434	10	30		CEEEHN
CC(C)NCc1nccn1Cc1cccc(C#N)c1	ZINC000051005573	519728919	/nfs/dbraw/zinc/72/89/19/519728919.db2.gz	PNDLYVIONNTMOS-UHFFFAOYSA-N	0	3	254.337	2.301	10	30		CEEEHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C#N)c1ccccc1	ZINC000061615022	519775359	/nfs/dbraw/zinc/77/53/59/519775359.db2.gz	MZESPNTUVIMCQO-HOTGVXAUSA-N	0	3	287.407	2.386	10	30		CEEEHN
CCCN[C@@H](C#N)CCN(CCOC)[C@@H](C)C1CC1	ZINC000062437290	519982815	/nfs/dbraw/zinc/98/28/15/519982815.db2.gz	RBETXALIEZPJNT-DZGCQCFKSA-N	0	3	267.417	2.015	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N1CCN(CC(C)C)CC1	ZINC000068615080	520032351	/nfs/dbraw/zinc/03/23/51/520032351.db2.gz	BJQKNWQXKGKTLR-IAGOWNOFSA-N	0	3	294.487	2.320	10	30		CEEEHN
CCCOc1ccc(CNCCOC)c(OCC#N)c1	ZINC000062727438	520367355	/nfs/dbraw/zinc/36/73/55/520367355.db2.gz	NQBRTFNLSDLVJK-UHFFFAOYSA-N	0	3	278.352	2.114	10	30		CEEEHN
CC[C@H](C)N1CCN([C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068615027	523958024	/nfs/dbraw/zinc/95/80/24/523958024.db2.gz	HSVRYGHMRQQGPA-ULQDDVLXSA-N	0	3	294.487	2.461	10	30		CEEEHN
Cc1nn(Cc2cccnc2C#N)c(C)c1CNC1CC1	ZINC000061659607	526297197	/nfs/dbraw/zinc/29/71/97/526297197.db2.gz	MSLQREYSRZTLBB-UHFFFAOYSA-N	0	3	281.363	2.067	10	30		CEEEHN
CC(C)(C)[C@H](O)CNCc1cc(C#N)ccc1F	ZINC000324457040	640647013	/nfs/dbraw/zinc/64/70/13/640647013.db2.gz	XCXXAAOPLLCSOB-CYBMUJFWSA-N	0	3	250.317	2.194	10	30		CEEEHN
CCC[C@H](C(=O)NCc1cc(C#N)ccc1F)N(C)C	ZINC000121344742	365556922	/nfs/dbraw/zinc/55/69/22/365556922.db2.gz	JDGYXUVQAPQMIT-CQSZACIVSA-N	0	3	277.343	2.044	10	30		CEEEHN
COC(=O)C[C@H](N)c1cncc(C#Cc2ccccc2)c1	ZINC000039044993	343435324	/nfs/dbraw/zinc/43/53/24/343435324.db2.gz	DWFGJKRXCDPVTP-INIZCTEOSA-N	0	3	280.327	2.044	10	30		CEEEHN
C#CC[C@H](N)c1cc(OC)ccc1Br	ZINC000158335423	344450854	/nfs/dbraw/zinc/45/08/54/344450854.db2.gz	PVYBPIQUJJUPGM-NSHDSACASA-N	0	3	254.127	2.481	10	30		CEEEHN
N#Cc1nnc2ccccc2c1N[C@H]1CN2CCC1CC2	ZINC000085919880	179199676	/nfs/dbraw/zinc/19/96/76/179199676.db2.gz	QGIZVPBTTDKIHE-HNNXBMFYSA-N	0	3	279.347	2.008	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cc(C#CCN)ccc1F	ZINC000086081151	179227691	/nfs/dbraw/zinc/22/76/91/179227691.db2.gz	ZKYJMMCHODFACU-OZVIIMIRSA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2ccc(C#CCN)c(F)c2)CC[C@@H]1C	ZINC000086081133	179227283	/nfs/dbraw/zinc/22/72/83/179227283.db2.gz	CZMXGLUSRUEFRX-HWWQOWPSSA-N	0	3	288.366	2.300	10	30		CEEEHN
CN1CCC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1	ZINC000086037426	179221794	/nfs/dbraw/zinc/22/17/94/179221794.db2.gz	QQYPPRVFXYYEHW-GTPINHCMSA-N	0	3	269.392	2.294	10	30		CEEEHN
C[C@H](N[C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000086673107	179318026	/nfs/dbraw/zinc/31/80/26/179318026.db2.gz	RZEGBSLOVSGMJU-CQDKDKBSSA-N	0	3	292.404	2.175	10	30		CEEEHN
COc1ccc(N[C@]2(C#N)CCCN(C)CC2)cc1	ZINC000086819693	179348639	/nfs/dbraw/zinc/34/86/39/179348639.db2.gz	VZYJIWXLDRFFBL-OAHLLOKOSA-N	0	3	259.353	2.485	10	30		CEEEHN
COc1cccc(N[C@]2(C#N)CCCN(C)CC2)c1	ZINC000086819703	179348819	/nfs/dbraw/zinc/34/88/19/179348819.db2.gz	VHJCSIAXKXWUKH-OAHLLOKOSA-N	0	3	259.353	2.485	10	30		CEEEHN
C[C@H](C#N)CN[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000089150575	179725955	/nfs/dbraw/zinc/72/59/55/179725955.db2.gz	TWGMDKBSIRVUDB-JHJVBQTASA-N	0	3	281.400	2.429	10	30		CEEEHN
CC[C@@H]1CCCC[C@H]1NC(=O)c1ccncc1C#CCN	ZINC000091462169	180162153	/nfs/dbraw/zinc/16/21/53/180162153.db2.gz	AMFRPGZUGKMQIK-CZUORRHYSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC[C@H]1CCCN(C(=O)c2ccncc2C#CCN)CC1	ZINC000091463434	180162469	/nfs/dbraw/zinc/16/24/69/180162469.db2.gz	XFRMXAHHTFSUIW-AWEZNQCLSA-N	0	3	285.391	2.044	10	30		CEEEHN
CCN1CCC(O)([C@@]2(C#N)CCc3ccccc32)CC1	ZINC000091878315	180278701	/nfs/dbraw/zinc/27/87/01/180278701.db2.gz	XSLJAZURCRINEC-MRXNPFEDSA-N	0	3	270.376	2.241	10	30		CEEEHN
N#C[C@@]1([C@@]2(O)CCN(C3CC3)C2)CCc2ccccc2C1	ZINC000091878824	180279127	/nfs/dbraw/zinc/27/91/27/180279127.db2.gz	YONZAWPXLAJEAR-QZTJIDSGSA-N	0	3	282.387	2.284	10	30		CEEEHN
CCCNc1ccnc(CN(CCC#N)CCOC)c1	ZINC000092419188	180382282	/nfs/dbraw/zinc/38/22/82/180382282.db2.gz	DCXCDSXPCUSHDJ-UHFFFAOYSA-N	0	3	276.384	2.266	10	30		CEEEHN
C=CCNCC(=O)N1CCCCC[C@@H]1c1cccn1C	ZINC000092474540	180393615	/nfs/dbraw/zinc/39/36/15/180393615.db2.gz	FFFDTCNJXIGNBC-OAHLLOKOSA-N	0	3	275.396	2.244	10	30		CEEEHN
CCN[C@H](C)c1ccc(C)cc1OCC(=O)NCCC#N	ZINC000110961214	186338113	/nfs/dbraw/zinc/33/81/13/186338113.db2.gz	MYVCKNLDRFSPDL-CYBMUJFWSA-N	0	3	289.379	2.074	10	30		CEEEHN
CCN[C@](C)(C#N)CCCCN1CCN(C)C(C)(C)C1	ZINC000110737512	186318380	/nfs/dbraw/zinc/31/83/80/186318380.db2.gz	WDSOPWZJMGJOTO-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCCN1CCN(C)C(C)(C)C1	ZINC000110737521	186318437	/nfs/dbraw/zinc/31/84/37/186318437.db2.gz	AZMUGWTXGZTTHQ-QGZVFWFLSA-N	0	3	294.487	2.465	10	30		CEEEHN
N#CCC[C@H](C#N)CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000337316910	366141781	/nfs/dbraw/zinc/14/17/81/366141781.db2.gz	YRWWNEIHBDFNGL-KLHDSHLOSA-N	0	3	275.396	2.445	10	30		CEEEHN
C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccnc(C#N)c1	ZINC000094446069	364275348	/nfs/dbraw/zinc/27/53/48/364275348.db2.gz	LMXYIOCQBKUJEI-CZUORRHYSA-N	0	3	270.380	2.012	10	30		CEEEHN
C#CCN(C(=O)N[C@H]1CCCN(CC)C1)C1CCCC1	ZINC000164543595	367287884	/nfs/dbraw/zinc/28/78/84/367287884.db2.gz	PPJANJWGZVOVLB-AWEZNQCLSA-N	0	3	277.412	2.058	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C	ZINC000248614255	371222344	/nfs/dbraw/zinc/22/23/44/371222344.db2.gz	HVGGLIKRKLKRNS-MJBXVCDLSA-N	0	3	250.386	2.284	10	30		CEEEHN
C=C(Br)CN1CCCN2CCC[C@H]2C1	ZINC000252961706	371491913	/nfs/dbraw/zinc/49/19/13/371491913.db2.gz	OLPKODHSPHOQTI-NSHDSACASA-N	0	3	259.191	2.065	10	30		CEEEHN
N#Cc1cccc(CN2CCN3CCCC[C@H]3C2)c1F	ZINC000300240110	379157014	/nfs/dbraw/zinc/15/70/14/379157014.db2.gz	INFAZBJZXYGZSC-HNNXBMFYSA-N	0	3	273.355	2.367	10	30		CEEEHN
C=CCOCCN1C[C@H]2CCCCN2C[C@@H]1CC	ZINC000302328172	400331223	/nfs/dbraw/zinc/33/12/23/400331223.db2.gz	FVUFYWRGBNYYLQ-LSDHHAIUSA-N	0	3	252.402	2.138	10	30		CEEEHN
Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1C#CCN	ZINC000306367224	400332472	/nfs/dbraw/zinc/33/24/72/400332472.db2.gz	IWAZTFNKCUDLII-UHFFFAOYSA-N	0	3	290.322	2.106	10	30		CEEEHN
CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2)[C@@H]1O	ZINC000022055171	171351185	/nfs/dbraw/zinc/35/11/85/171351185.db2.gz	UCEHSLHTSICLRD-CABCVRRESA-N	0	3	272.348	2.227	10	30		CEEEHN
CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCNC2	ZINC000035248148	172078798	/nfs/dbraw/zinc/07/87/98/172078798.db2.gz	KKEXMVGYYVRZAS-MRVPVSSYSA-N	0	3	263.366	2.250	10	30		CEEEHN
CC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCNC2	ZINC000035248150	172078968	/nfs/dbraw/zinc/07/89/68/172078968.db2.gz	KKEXMVGYYVRZAS-QMMMGPOBSA-N	0	3	263.366	2.250	10	30		CEEEHN
CCN(C[C@@H](C)C#N)C(=O)C[C@@H](N)c1ccccc1	ZINC000037821063	173773786	/nfs/dbraw/zinc/77/37/86/173773786.db2.gz	FVIXNNXNQVBAAC-GXTWGEPZSA-N	0	3	259.353	2.085	10	30		CEEEHN
CC[C@@H]1CCCN1C(=O)c1cccc(C#CCN)c1	ZINC000037915537	173849898	/nfs/dbraw/zinc/84/98/98/173849898.db2.gz	MPUJTLDIQHTKIV-OAHLLOKOSA-N	0	3	256.349	2.011	10	30		CEEEHN
CCCCCCCCCCS(=O)(=O)C(C)C(N)=O	ZINC000043352506	175020330	/nfs/dbraw/zinc/02/03/30/175020330.db2.gz	VCUIYPJOHXLIRY-LBPRGKRZSA-N	0	3	277.430	2.416	10	30		CEEEHN
CCOC1CCN(Cc2ccc(C#CCN)s2)CC1	ZINC000043683812	175091877	/nfs/dbraw/zinc/09/18/77/175091877.db2.gz	FIHSHKFLKCNILD-UHFFFAOYSA-N	0	3	278.421	2.059	10	30		CEEEHN
NCC#Cc1ccsc1COC[C@@H]1CCCCO1	ZINC000043685052	175094139	/nfs/dbraw/zinc/09/41/39/175094139.db2.gz	PXEVSKMAHSEFRM-ZDUSSCGKSA-N	0	3	265.378	2.144	10	30		CEEEHN
CCO[C@@H]1CCCN(Cc2cc(C#CCO)cs2)C1	ZINC000043698666	175096822	/nfs/dbraw/zinc/09/68/22/175096822.db2.gz	DYTBUOCLYPVJTD-CQSZACIVSA-N	0	3	279.405	2.093	10	30		CEEEHN
C[C@H](c1ccc(C#CCN)cc1)N1CCCCCC1=O	ZINC000071278326	176107655	/nfs/dbraw/zinc/10/76/55/176107655.db2.gz	GIAVFEYHGIVZRR-CQSZACIVSA-N	0	3	270.376	2.460	10	30		CEEEHN
C#CCNC(=O)[C@H](C)Oc1ccc(C)cc1CNC(C)C	ZINC000071406536	176155717	/nfs/dbraw/zinc/15/57/17/176155717.db2.gz	KHERWKQSSNUTHT-AWEZNQCLSA-N	0	3	288.391	2.010	10	30		CEEEHN
Cc1ccncc1NC(=O)c1cc(C#CCN)ccc1F	ZINC000071414779	176160009	/nfs/dbraw/zinc/16/00/09/176160009.db2.gz	GFFYRBPLLSUNHV-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
Cc1cccc2c1C(=O)N(CC(C)(C)CO)C2C#N	ZINC000071678158	176243140	/nfs/dbraw/zinc/24/31/40/176243140.db2.gz	MEJSOJQHTOUZBP-GFCCVEGCSA-N	0	3	258.321	2.034	10	30		CEEEHN
CC(C)CN1C(=O)c2ccc(N(C)C)cc2C1C#N	ZINC000071679085	176243424	/nfs/dbraw/zinc/24/34/24/176243424.db2.gz	KPHJSAFFJVLBAT-AWEZNQCLSA-N	0	3	257.337	2.429	10	30		CEEEHN
Cc1nc(C[C@H]2CCCN(CCCCC#N)C2)no1	ZINC000171037821	329074125	/nfs/dbraw/zinc/07/41/25/329074125.db2.gz	MYFSNQMWNLCFSB-CYBMUJFWSA-N	0	3	262.357	2.326	10	30		CEEEHN
C=CC[C@H](C)NC(=O)N(C)C[C@H]1CCCN1CC	ZINC000177521042	329185321	/nfs/dbraw/zinc/18/53/21/329185321.db2.gz	SVBQNBMELNJIMF-QWHCGFSZSA-N	0	3	253.390	2.077	10	30		CEEEHN
CC(C)(CCC#N)CN1CCC[C@H](n2cncn2)C1	ZINC000179471362	329208757	/nfs/dbraw/zinc/20/87/57/329208757.db2.gz	MSEWLBHMHSVUQD-ZDUSSCGKSA-N	0	3	261.373	2.245	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C	ZINC000185559425	329326507	/nfs/dbraw/zinc/32/65/07/329326507.db2.gz	HVGGLIKRKLKRNS-BFHYXJOUSA-N	0	3	250.386	2.284	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)C2(C#N)CCCCC2)C1	ZINC000247270863	334278490	/nfs/dbraw/zinc/27/84/90/334278490.db2.gz	JWIUTXPBDACYQS-UONOGXRCSA-N	0	3	277.412	2.305	10	30		CEEEHN
C=CCCCCCN1CCN(C[C@H](O)CC)CC1	ZINC000193362423	333248604	/nfs/dbraw/zinc/24/86/04/333248604.db2.gz	SNMNXJNRQLUICE-OAHLLOKOSA-N	0	3	254.418	2.121	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N1CCN(CCC)CC1	ZINC000068611232	520031871	/nfs/dbraw/zinc/03/18/71/520031871.db2.gz	OBFAVQCOMIJCPD-HZPDHXFCSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCN1CCC[C@H]1CNc1cc(C)nc(C)c1C#N	ZINC000157378650	521658244	/nfs/dbraw/zinc/65/82/44/521658244.db2.gz	AILIAFNNWXZFHA-ZDUSSCGKSA-N	0	3	258.369	2.466	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCN1CCN(CC(C)C)CC1	ZINC000055081116	520099841	/nfs/dbraw/zinc/09/98/41/520099841.db2.gz	DKZAULSSSYKTTI-KRWDZBQOSA-N	0	3	294.487	2.322	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N1CCN(CC(C)C)CC1	ZINC000068615077	520103165	/nfs/dbraw/zinc/10/31/65/520103165.db2.gz	BJQKNWQXKGKTLR-SJORKVTESA-N	0	3	294.487	2.320	10	30		CEEEHN
CCN(CC1CC1)C(=O)c1ccc(C#CCN)c(F)c1	ZINC000069263399	520953393	/nfs/dbraw/zinc/95/33/93/520953393.db2.gz	VQIMLQIXFQVLOK-UHFFFAOYSA-N	0	3	274.339	2.008	10	30		CEEEHN
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000049105795	521817458	/nfs/dbraw/zinc/81/74/58/521817458.db2.gz	VSONWXCLKJGVMV-QWHCGFSZSA-N	0	3	258.365	2.161	10	30		CEEEHN
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C#CCN)cc1	ZINC000049105771	521817940	/nfs/dbraw/zinc/81/79/40/521817940.db2.gz	HTKJNXKFBDPNKD-QWHCGFSZSA-N	0	3	258.365	2.161	10	30		CEEEHN
CNCc1cc([N+](=O)[O-])ccc1OCCCCC#N	ZINC000049578314	522115671	/nfs/dbraw/zinc/11/56/71/522115671.db2.gz	PLFLQIHCJWXIKC-UHFFFAOYSA-N	0	3	263.297	2.387	10	30		CEEEHN
C[C@@H]1CC[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C1	ZINC000329894625	628376053	/nfs/dbraw/zinc/37/60/53/628376053.db2.gz	KBMSPARJGQZKNJ-AGIUHOORSA-N	0	3	276.384	2.138	10	30		CEEEHN
C[C@@H]1CN2CCCC[C@@H]2CN1c1ccnc(C#N)c1	ZINC000094447246	628847165	/nfs/dbraw/zinc/84/71/65/628847165.db2.gz	AQQZLPPSKFOMGD-IUODEOHRSA-N	0	3	256.353	2.016	10	30		CEEEHN
C=C[C@@H](N)c1cccc(I)c1	ZINC000095779269	185028021	/nfs/dbraw/zinc/02/80/21/185028021.db2.gz	QJDONQJSMNYLMF-SECBINFHSA-N	0	3	259.090	2.477	10	30		CEEEHN
N#Cc1cc(CN2CCN3CCCC[C@@H]3C2)ccc1F	ZINC000121360662	365559791	/nfs/dbraw/zinc/55/97/91/365559791.db2.gz	CNYDMCCALPOUED-OAHLLOKOSA-N	0	3	273.355	2.367	10	30		CEEEHN
C=CCCO[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000125166534	187172845	/nfs/dbraw/zinc/17/28/45/187172845.db2.gz	ZHAOJHDSLIALFD-HOCLYGCPSA-N	0	3	290.407	2.387	10	30		CEEEHN
CC1(C)Oc2ccc(C#N)cc2[C@H](N2CCCC2)[C@H]1O	ZINC000039426700	361988996	/nfs/dbraw/zinc/98/89/96/361988996.db2.gz	UCEHSLHTSICLRD-LSDHHAIUSA-N	0	3	272.348	2.227	10	30	in-vitro	CEEEHN
C[C@@H](C#N)Oc1c(Br)cccc1CN	ZINC000043513818	362146966	/nfs/dbraw/zinc/14/69/66/362146966.db2.gz	RMZBSEGLCZZBJV-ZETCQYMHSA-N	0	3	255.115	2.199	10	30		CEEEHN
C=CCOc1ccccc1CNC[C@H]1CN(CC)CCO1	ZINC000134438808	344374389	/nfs/dbraw/zinc/37/43/89/344374389.db2.gz	CMAYTELCVGBVND-INIZCTEOSA-N	0	3	290.407	2.062	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2cc(C#CCN)ccc2F)[C@@H]1C	ZINC000086081150	179227630	/nfs/dbraw/zinc/22/76/30/179227630.db2.gz	ZKYJMMCHODFACU-HSMVNMDESA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CCN)cc2F)[C@@H]1C	ZINC000086081156	179227547	/nfs/dbraw/zinc/22/75/47/179227547.db2.gz	UDROPVXCXLCAJU-XHBSWPGZSA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2cc(C#CCN)ccc2F)[C@@H]1C	ZINC000086081152	179227587	/nfs/dbraw/zinc/22/75/87/179227587.db2.gz	ZKYJMMCHODFACU-XHBSWPGZSA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@H](Cn1cccn1)NC1CC(C#N)(c2ccccc2)C1	ZINC000086037120	179221539	/nfs/dbraw/zinc/22/15/39/179221539.db2.gz	QWOKBZCDQFLZJC-ODIFPOPNSA-N	0	3	280.375	2.485	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)[C@H]2Cc3ccccc32)s1	ZINC000090985726	180080939	/nfs/dbraw/zinc/08/09/39/180080939.db2.gz	JVDGFUBMIDSLDA-INIZCTEOSA-N	0	3	296.395	2.014	10	30		CEEEHN
C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccncc2C#CCN)C1	ZINC000091462031	180162698	/nfs/dbraw/zinc/16/26/98/180162698.db2.gz	UDVWCARLFMYWAA-UKRRQHHQSA-N	0	3	285.391	2.043	10	30		CEEEHN
N#CC[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000091667983	180224195	/nfs/dbraw/zinc/22/41/95/180224195.db2.gz	RYTCVHOYJMBNQO-ZACQAIPSSA-N	0	3	285.391	2.094	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)N2CCCCCC2)s1	ZINC000091971841	180295671	/nfs/dbraw/zinc/29/56/71/180295671.db2.gz	RUDNLYUXZBPHLA-UHFFFAOYSA-N	0	3	291.420	2.144	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000105676584	186068018	/nfs/dbraw/zinc/06/80/18/186068018.db2.gz	IZLQURTTXVZPPG-JTQLQIEISA-N	0	3	252.745	2.293	10	30		CEEEHN
C=CCNCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C	ZINC000092473758	180392814	/nfs/dbraw/zinc/39/28/14/180392814.db2.gz	JNKKRFNTIYVENY-OLZOCXBDSA-N	0	3	252.402	2.483	10	30		CEEEHN
CC(=O)c1ccc(C#N)cc1N1C[C@H](N(C)C)[C@@H](C)C1	ZINC000131318694	366042305	/nfs/dbraw/zinc/04/23/05/366042305.db2.gz	CUUJKCLALITJIQ-ZBEGNZNMSA-N	0	3	271.364	2.147	10	30		CEEEHN
COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1C=CC(=O)C3	ZINC000026672839	361644637	/nfs/dbraw/zinc/64/46/37/361644637.db2.gz	KHYDCTMLGIZSEH-JQHSSLGASA-N	0	3	283.371	2.338	10	30		CEEEHN
CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccco1	ZINC000092797133	364107293	/nfs/dbraw/zinc/10/72/93/364107293.db2.gz	LZHDVPXIJMUKNO-CYBMUJFWSA-N	0	3	275.352	2.179	10	30		CEEEHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)C(C)C	ZINC000245964827	370895098	/nfs/dbraw/zinc/89/50/98/370895098.db2.gz	DMASGYUEHLUCGY-BZUAXINKSA-N	0	3	294.439	2.369	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc(C#N)c2)C1	ZINC000246731210	371001159	/nfs/dbraw/zinc/00/11/59/371001159.db2.gz	AOFPYTOXCKJFRQ-SWLSCSKDSA-N	0	3	271.364	2.017	10	30		CEEEHN
COCCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C	ZINC000118398109	285050817	/nfs/dbraw/zinc/05/08/17/285050817.db2.gz	KZKMOFUFYPZCNE-CABCVRRESA-N	0	3	287.407	2.272	10	30		CEEEHN
NCC#Cc1cc(NC(=O)[C@@H]2CCCS2)ccc1Cl	ZINC000094671729	184838501	/nfs/dbraw/zinc/83/85/01/184838501.db2.gz	JTGHGEKKYPPCET-ZDUSSCGKSA-N	0	3	294.807	2.484	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)C1	ZINC000048769986	394528607	/nfs/dbraw/zinc/52/86/07/394528607.db2.gz	JQLDVNBDEVPJOX-AWEZNQCLSA-N	0	3	272.352	2.164	10	30		CEEEHN
CCC#CCN1CCC[C@]2(CCC(=O)N(CC)C2)C1	ZINC000091655875	394657990	/nfs/dbraw/zinc/65/79/90/394657990.db2.gz	VOTCORJMVZRSKB-INIZCTEOSA-N	0	3	262.397	2.124	10	30		CEEEHN
C[C@H]1CN(c2c(F)cc(C#N)cc2F)[C@@H](C)CN1	ZINC000147793628	394973267	/nfs/dbraw/zinc/97/32/67/394973267.db2.gz	YJIWWPKTKSJUJZ-IUCAKERBSA-N	0	3	251.280	2.023	10	30		CEEEHN
C[C@@H]1CN2CCC[C@H]2CN1c1nc(Cl)c(C#N)s1	ZINC000287421736	395040970	/nfs/dbraw/zinc/04/09/70/395040970.db2.gz	QGSWPZZJTKNQOV-BDAKNGLRSA-N	0	3	282.800	2.341	10	30		CEEEHN
C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccc(C#N)cc1	ZINC000040462988	174272271	/nfs/dbraw/zinc/27/22/71/174272271.db2.gz	DEOKXZROESEOTE-ZWNOBZJWSA-N	0	3	259.353	2.109	10	30		CEEEHN
N#CCc1ccc(O[C@H](CN)c2cccnc2)cc1	ZINC000043349324	175019209	/nfs/dbraw/zinc/01/92/09/175019209.db2.gz	UWLXGZIZFQYILQ-OAHLLOKOSA-N	0	3	253.305	2.226	10	30		CEEEHN
NCC#Cc1ccc(Cn2ccc(=O)c3ccccc32)s1	ZINC000043684463	175092871	/nfs/dbraw/zinc/09/28/71/175092871.db2.gz	PMTMWHXCTMHYPJ-UHFFFAOYSA-N	0	3	294.379	2.422	10	30		CEEEHN
NCC#Cc1ccc(COC[C@@H]2CCCCO2)s1	ZINC000043685050	175093812	/nfs/dbraw/zinc/09/38/12/175093812.db2.gz	VPDPBVNJKGBSFI-LBPRGKRZSA-N	0	3	265.378	2.144	10	30		CEEEHN
CCN(Cc1cc(C#CCN)cs1)Cc1ccncc1	ZINC000043688978	175095705	/nfs/dbraw/zinc/09/57/05/175095705.db2.gz	DSNXQWJGIINJKR-UHFFFAOYSA-N	0	3	285.416	2.475	10	30		CEEEHN
CCN(Cc1cc(C#CCCO)cs1)[C@H](C)COC	ZINC000043698777	175097040	/nfs/dbraw/zinc/09/70/40/175097040.db2.gz	GYSBXITVLSTYQI-CYBMUJFWSA-N	0	3	281.421	2.339	10	30		CEEEHN
CCN1CCC[C@@H]1CNC(=O)C1(C#N)CCCCCC1	ZINC000044765060	175248467	/nfs/dbraw/zinc/24/84/67/175248467.db2.gz	MAYOVERADSZMCF-CQSZACIVSA-N	0	3	277.412	2.451	10	30		CEEEHN
COCCN(C(=O)C(C#N)Cc1ccccc1)C1CC1	ZINC000044824824	175259546	/nfs/dbraw/zinc/25/95/46/175259546.db2.gz	GXHPJWIPPQLQPI-AWEZNQCLSA-N	0	3	272.348	2.006	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN1CCN(C(C)(C)C)CC1	ZINC000045182849	175325494	/nfs/dbraw/zinc/32/54/94/175325494.db2.gz	CBJJPKUZHBYUHD-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C#CCN)[C@H]1C	ZINC000050568526	175517550	/nfs/dbraw/zinc/51/75/50/175517550.db2.gz	WWRDVXWZVJPQEI-OLZOCXBDSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000071211007	176083093	/nfs/dbraw/zinc/08/30/93/176083093.db2.gz	BTZDGBHXJDAJIQ-IAQYHMDHSA-N	0	3	274.339	2.054	10	30		CEEEHN
C[C@@H](Cc1cccs1)NC(=O)c1ccccc1C#CCN	ZINC000071273676	176105694	/nfs/dbraw/zinc/10/56/94/176105694.db2.gz	GCJQYCNKJQEVLG-ZDUSSCGKSA-N	0	3	298.411	2.419	10	30		CEEEHN
C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)CCCCN2)C1	ZINC000662630988	415912677	/nfs/dbraw/zinc/91/26/77/415912677.db2.gz	OJWXEYGLVFGILC-UKRRQHHQSA-N	0	3	250.386	2.333	10	30		CEEEHN
C[C@H]1CCC(=O)N(Cc2cccc(C#CCN)c2)CC1	ZINC000079247588	177456499	/nfs/dbraw/zinc/45/64/99/177456499.db2.gz	VONODBYDWGHYIK-AWEZNQCLSA-N	0	3	270.376	2.145	10	30		CEEEHN
C[C@H](c1cccc(C#N)c1)N1CC[C@H](N2CCOCC2)C1	ZINC000186106341	270248588	/nfs/dbraw/zinc/24/85/88/270248588.db2.gz	NSCXDQGMFFIQCP-PBHICJAKSA-N	0	3	285.391	2.026	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2sccc2C#N)C1	ZINC000247483859	280331133	/nfs/dbraw/zinc/33/11/33/280331133.db2.gz	WIJXAYHDDOSZQM-CMPLNLGQSA-N	0	3	277.393	2.078	10	30		CEEEHN
C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](N2CCOCC2)C1	ZINC000249456349	280398018	/nfs/dbraw/zinc/39/80/18/280398018.db2.gz	NSCXDQGMFFIQCP-WMLDXEAASA-N	0	3	285.391	2.026	10	30		CEEEHN
COc1ccc([C@@H](C)NCCOCCC#N)cc1OC	ZINC000293819561	327155414	/nfs/dbraw/zinc/15/54/14/327155414.db2.gz	OXEKZJRBMRWKBF-GFCCVEGCSA-N	0	3	278.352	2.285	10	30		CEEEHN
CC#CCN1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190499239	329397822	/nfs/dbraw/zinc/39/78/22/329397822.db2.gz	CZIGNZRCNDIEFK-OAHLLOKOSA-N	0	3	294.439	2.138	10	30		CEEEHN
CCOC(=O)C1CCC(N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000336814036	330849551	/nfs/dbraw/zinc/84/95/51/330849551.db2.gz	WESOTCZVKKSBKZ-HHTDUIENSA-N	0	3	264.369	2.390	10	30		CEEEHN
CC(C)NCc1nccn1Cc1ccccc1C#N	ZINC000051005650	519728925	/nfs/dbraw/zinc/72/89/25/519728925.db2.gz	FRCCKOZUKQXVFZ-UHFFFAOYSA-N	0	3	254.337	2.301	10	30		CEEEHN
CC(C)c1ccc(C(C#N)C(=O)[C@@H]2COCCO2)cc1	ZINC000055302102	519839710	/nfs/dbraw/zinc/83/97/10/519839710.db2.gz	ILYBYPAQTRZGDV-GJZGRUSLSA-N	0	3	273.332	2.402	10	30		CEEEHN
CCCNCc1ccc([N+](=O)[O-])c(O[C@H](C)C#N)c1	ZINC000050517052	519954099	/nfs/dbraw/zinc/95/40/99/519954099.db2.gz	KVLDZPBCKMKDSL-SNVBAGLBSA-N	0	3	263.297	2.385	10	30		CEEEHN
CCN[C@](C)(C#N)CCCN1CCN([C@H](C)CC)CC1	ZINC000055070124	520225046	/nfs/dbraw/zinc/22/50/46/520225046.db2.gz	WUKWMPFDRZWXCX-CVEARBPZSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCN(C[C@@H]1CCCO1)[C@@H](C)C[C@@](C)(C#N)NC1CC1	ZINC000068612550	521228904	/nfs/dbraw/zinc/22/89/04/521228904.db2.gz	JKQQLLPMXOYCKW-BPUTZDHNSA-N	0	3	279.428	2.300	10	30		CEEEHN
CCOC1CCN([C@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068612018	521656568	/nfs/dbraw/zinc/65/65/68/521656568.db2.gz	WOOQYCVZCIEFAN-CJNGLKHVSA-N	0	3	279.428	2.300	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000061300365	521940518	/nfs/dbraw/zinc/94/05/18/521940518.db2.gz	XACFJWXPVXKDKT-UHFFFAOYSA-N	0	3	251.717	2.148	10	30		CEEEHN
COCCNCc1ccccc1OCCCCC#N	ZINC000062729682	523955303	/nfs/dbraw/zinc/95/53/03/523955303.db2.gz	QYRXYHIUBPDVMH-UHFFFAOYSA-N	0	3	262.353	2.495	10	30		CEEEHN
C[C@H](CN1CCCCC1)Nc1ccc(N)cc1C#N	ZINC000049500928	524336547	/nfs/dbraw/zinc/33/65/47/524336547.db2.gz	MPFBZWCJLOLKON-GFCCVEGCSA-N	0	3	258.369	2.427	10	30		CEEEHN
C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCCC1	ZINC000050442371	524512064	/nfs/dbraw/zinc/51/20/64/524512064.db2.gz	VXQGWSMMOFBUQZ-LLVKDONJSA-N	0	3	289.339	2.148	10	30		CEEEHN
N#CC(C(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCO2	ZINC000050963928	526493258	/nfs/dbraw/zinc/49/32/58/526493258.db2.gz	FOZALEAUUGHVTI-DGCLKSJQSA-N	0	3	273.288	2.161	10	30		CEEEHN
C#CCCNCc1cccc(OC)c1OC(F)F	ZINC000070245651	641650817	/nfs/dbraw/zinc/65/08/17/641650817.db2.gz	QGASKFVRMQSUED-UHFFFAOYSA-N	0	3	255.264	2.410	10	30		CEEEHN
C=C[C@H](N)c1ccccc1I	ZINC000095766771	185027366	/nfs/dbraw/zinc/02/73/66/185027366.db2.gz	DAKNNJPOUMXWGN-VIFPVBQESA-N	0	3	259.090	2.477	10	30		CEEEHN
Cn1cc([C@@H]2CCN(Cc3cc(C#N)cs3)C2)cn1	ZINC000128530831	365794390	/nfs/dbraw/zinc/79/43/90/365794390.db2.gz	PZXOCWMOGODJMV-GFCCVEGCSA-N	0	3	272.377	2.343	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C#N)cc1C	ZINC000127222097	187290492	/nfs/dbraw/zinc/29/04/92/187290492.db2.gz	GHRIZBBYMIUBEO-OAHLLOKOSA-N	0	3	285.391	2.423	10	30		CEEEHN
COc1ccc([C@@H](C#N)NCCN(C)C)cc1Cl	ZINC000086595318	179310804	/nfs/dbraw/zinc/31/08/04/179310804.db2.gz	JWODOXRPUMNPJS-GFCCVEGCSA-N	0	3	267.760	2.064	10	30		CEEEHN
CCC(CC)(CC)NC(=O)c1cncc(C#CCN)c1	ZINC000086647789	179316331	/nfs/dbraw/zinc/31/63/31/179316331.db2.gz	DBUNFFPCPDUREE-UHFFFAOYSA-N	0	3	273.380	2.090	10	30		CEEEHN
NCC#Cc1cncc(OC[C@@H]2Cc3ccccc32)c1	ZINC000090981051	180078966	/nfs/dbraw/zinc/07/89/66/180078966.db2.gz	DIRBNFBTCWVCLN-HNNXBMFYSA-N	0	3	264.328	2.111	10	30		CEEEHN
NCC#Cc1cnccc1C(=O)NC1CCCCCCC1	ZINC000091460874	180161603	/nfs/dbraw/zinc/16/16/03/180161603.db2.gz	KENABDVWYKWWHL-UHFFFAOYSA-N	0	3	285.391	2.235	10	30		CEEEHN
C[C@@H](NC(=O)c1ccncc1C#CCN)C1CCCCC1	ZINC000091462989	180162370	/nfs/dbraw/zinc/16/23/70/180162370.db2.gz	IGFHPMBVAOOUSS-CYBMUJFWSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC[C@@H]1CCCN(C(=O)c2ccncc2C#CCN)CC1	ZINC000091463431	180162555	/nfs/dbraw/zinc/16/25/55/180162555.db2.gz	XFRMXAHHTFSUIW-CQSZACIVSA-N	0	3	285.391	2.044	10	30		CEEEHN
Cc1ncccc1NC(=O)c1ccc(C#CCN)s1	ZINC000091497940	180172957	/nfs/dbraw/zinc/17/29/57/180172957.db2.gz	JNKHFCCQEFEBBZ-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
CCc1ccc(C(=O)NCc2cccc(C#CCN)c2)o1	ZINC000091775639	180251960	/nfs/dbraw/zinc/25/19/60/180251960.db2.gz	WCQRWTRJUFBRRK-UHFFFAOYSA-N	0	3	282.343	2.082	10	30		CEEEHN
CCN(CC)C(=O)Nc1cc(C#CCN)ccc1C	ZINC000091962367	180293106	/nfs/dbraw/zinc/29/31/06/180293106.db2.gz	KVNWKARRDFRYHL-UHFFFAOYSA-N	0	3	259.353	2.179	10	30		CEEEHN
CCN(CC)C(=O)Nc1ccc(C)c(C#CCN)c1	ZINC000091962399	180293411	/nfs/dbraw/zinc/29/34/11/180293411.db2.gz	GRPHKPVXXWTBHH-UHFFFAOYSA-N	0	3	259.353	2.179	10	30		CEEEHN
N#C[C@]1([C@@]2(O)CCN(C3CC3)C2)CCc2ccccc2C1	ZINC000091878825	180279042	/nfs/dbraw/zinc/27/90/42/180279042.db2.gz	YONZAWPXLAJEAR-ZWKOTPCHSA-N	0	3	282.387	2.284	10	30		CEEEHN
CN(Cc1ccccc1C#CCN)C(=O)N1CCCCC1	ZINC000091969684	180295118	/nfs/dbraw/zinc/29/51/18/180295118.db2.gz	MZEDVKYJAAQVKQ-UHFFFAOYSA-N	0	3	285.391	2.035	10	30		CEEEHN
CN(Cc1cccc(C#CCN)c1)C(=O)N1CCCCC1	ZINC000091969685	180295153	/nfs/dbraw/zinc/29/51/53/180295153.db2.gz	UZKWZRVLBWVCML-UHFFFAOYSA-N	0	3	285.391	2.035	10	30		CEEEHN
C[C@H](NC(=O)N1CCCCC1)c1ccc(C#CCN)cc1	ZINC000091969682	180295206	/nfs/dbraw/zinc/29/52/06/180295206.db2.gz	KMFZUAIZHAAAFG-AWEZNQCLSA-N	0	3	285.391	2.253	10	30		CEEEHN
C[C@H]1CCCN(C(=O)Nc2ccccc2C#CCN)C1	ZINC000091992398	180300453	/nfs/dbraw/zinc/30/04/53/180300453.db2.gz	HWHFMHNSPLAKBB-ZDUSSCGKSA-N	0	3	271.364	2.261	10	30		CEEEHN
Cc1cc(NC(=O)c2ccc(C#CCN)cc2F)ccn1	ZINC000092365936	180369264	/nfs/dbraw/zinc/36/92/64/180369264.db2.gz	DRHFVWCYFDBKKB-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1cccc(Br)c1	ZINC000092475145	180393745	/nfs/dbraw/zinc/39/37/45/180393745.db2.gz	XPXFGYABBFJONA-UHFFFAOYSA-N	0	3	297.196	2.183	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccc(OCC)cc1	ZINC000092474296	180393882	/nfs/dbraw/zinc/39/38/82/180393882.db2.gz	PSBISGRWVPLXJG-GFCCVEGCSA-N	0	3	262.353	2.038	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@@H](C(C)(C)C)CC1	ZINC000092476114	180394002	/nfs/dbraw/zinc/39/40/02/180394002.db2.gz	NVHZMTDNCMFAPV-CYBMUJFWSA-N	0	3	252.402	2.437	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@H](C)c1ccc(C)s1	ZINC000092474987	180394007	/nfs/dbraw/zinc/39/40/07/180394007.db2.gz	REYMLXRZKYAQNS-LLVKDONJSA-N	0	3	252.383	2.352	10	30		CEEEHN
C#CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)NCC	ZINC000110960458	186336246	/nfs/dbraw/zinc/33/62/46/186336246.db2.gz	GYBBTSZLXKVBPJ-KBPBESRZSA-N	0	3	288.391	2.182	10	30		CEEEHN
CCN[C@@H](C)c1ccc(C)cc1OCC(=O)NCCC#N	ZINC000110961211	186338125	/nfs/dbraw/zinc/33/81/25/186338125.db2.gz	MYVCKNLDRFSPDL-ZDUSSCGKSA-N	0	3	289.379	2.074	10	30		CEEEHN
CC[C@H]1CN(Cc2sccc2C#CCCO)CCN1C	ZINC000110734663	186317595	/nfs/dbraw/zinc/31/75/95/186317595.db2.gz	WQGZFHYEQWXWKQ-HNNXBMFYSA-N	0	3	292.448	2.008	10	30		CEEEHN
NCC#Cc1ccccc1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2	ZINC000111102453	186352965	/nfs/dbraw/zinc/35/29/65/186352965.db2.gz	DHFGHWXWOJSLOY-IMJJTQAJSA-N	0	3	282.387	2.163	10	30		CEEEHN
CCCOCCOCc1ccc(C#CCN)s1	ZINC000111109679	186353401	/nfs/dbraw/zinc/35/34/01/186353401.db2.gz	FJORGHQRNNXWTA-UHFFFAOYSA-N	0	3	253.367	2.002	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN(CC)CCOCC	ZINC000111121571	186355761	/nfs/dbraw/zinc/35/57/61/186355761.db2.gz	OQRYWEYBCYOVNK-AWEZNQCLSA-N	0	3	255.406	2.017	10	30		CEEEHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C#N)cs1	ZINC000177116882	189029993	/nfs/dbraw/zinc/02/99/93/189029993.db2.gz	HHWDDTPNVMXVIA-CHWSQXEVSA-N	0	3	289.404	2.319	10	30		CEEEHN
CC[C@H]1CN(CC(C)(C)CCC#N)CCN1C[C@H](C)O	ZINC000245702697	370860439	/nfs/dbraw/zinc/86/04/39/370860439.db2.gz	DKCQCPRTSKFHKT-GJZGRUSLSA-N	0	3	281.444	2.093	10	30		CEEEHN
C[C@H]1OCC[C@H]1NCc1ccc(C#N)cc1Cl	ZINC000162790447	367190963	/nfs/dbraw/zinc/19/09/63/367190963.db2.gz	CTINHPCUWBQUQP-NOZJJQNGSA-N	0	3	250.729	2.479	10	30		CEEEHN
C=CCOc1ccccc1C(=O)N1CC[C@@H](N(C)C)C1	ZINC000170867351	367435794	/nfs/dbraw/zinc/43/57/94/367435794.db2.gz	LVKZDQUDQUDLTE-CYBMUJFWSA-N	0	3	274.364	2.028	10	30		CEEEHN
C=CCC[C@H](O)CN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21	ZINC000246013462	370899490	/nfs/dbraw/zinc/89/94/90/370899490.db2.gz	LRSIFOGFCIDANW-AJNGGQMLSA-N	0	3	281.396	2.120	10	30		CEEEHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)o2)C12CCOCC2	ZINC000185659114	368838627	/nfs/dbraw/zinc/83/86/27/368838627.db2.gz	BWWSSHSRLUBSAL-LSDHHAIUSA-N	0	3	290.363	2.215	10	30		CEEEHN
CCCCOC[C@@H](O)CN(C)Cc1ccc(C#N)cc1	ZINC000193371062	369934156	/nfs/dbraw/zinc/93/41/56/369934156.db2.gz	KJRBGUFAICBEPY-INIZCTEOSA-N	0	3	276.380	2.168	10	30		CEEEHN
CC(=O)c1ccc(C#N)cc1N1CCN2CCC[C@H]2C1	ZINC000252766335	371477097	/nfs/dbraw/zinc/47/70/97/371477097.db2.gz	QFDZSYGQQQBGCJ-AWEZNQCLSA-N	0	3	269.348	2.045	10	30		CEEEHN
Cc1nc(NCc2ccc3c(c2)CNC3)ccc1C#N	ZINC000261820887	371741483	/nfs/dbraw/zinc/74/14/83/371741483.db2.gz	UACOGIQJXJGGFL-UHFFFAOYSA-N	0	3	264.332	2.477	10	30		CEEEHN
C#CCNC(=O)CNc1c(C)cnc2c(C)cccc21	ZINC000302754406	379447861	/nfs/dbraw/zinc/44/78/61/379447861.db2.gz	VMAIOKSPRGBQFE-UHFFFAOYSA-N	0	3	267.332	2.013	10	30		CEEEHN
CN[C@]1(C#N)CC[C@H](N2CCC(C(F)(F)F)CC2)C1	ZINC000093803566	184723701	/nfs/dbraw/zinc/72/37/01/184723701.db2.gz	RYUXDYQRDVDSLA-NWDGAFQWSA-N	0	3	275.318	2.295	10	30		CEEEHN
Cc1cc(C(=O)N(C)C[C@@H]2C[C@H]2C)sc1C#CCN	ZINC000094536846	184814222	/nfs/dbraw/zinc/81/42/22/184814222.db2.gz	SDEOZFYWXDDMSF-PWSUYJOCSA-N	0	3	276.405	2.095	10	30		CEEEHN
CCN1CCCN(c2cc(C)nc(C)c2C#N)CC1	ZINC000301682325	394463854	/nfs/dbraw/zinc/46/38/54/394463854.db2.gz	SJKNXXPJOYNPBP-UHFFFAOYSA-N	0	3	258.369	2.102	10	30		CEEEHN
N#Cc1cc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)ccc1F	ZINC000398994657	395241093	/nfs/dbraw/zinc/24/10/93/395241093.db2.gz	JMVBESIQRNBQRL-QEJZJMRPSA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@@H](N[C@H](C)c1cccs1)C(=O)N(C)CCC#N	ZINC000192941275	395396697	/nfs/dbraw/zinc/39/66/97/395396697.db2.gz	NSHXQAVCIRUDOV-GHMZBOCLSA-N	0	3	265.382	2.159	10	30		CEEEHN
Cc1ccc(C(=O)Nc2ncc(C#CCN)s2)cc1	ZINC000037550686	173269008	/nfs/dbraw/zinc/26/90/08/173269008.db2.gz	PPJWKTOKSTUUNX-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@@H](CN)c1ccncc1	ZINC000043355163	175023186	/nfs/dbraw/zinc/02/31/86/175023186.db2.gz	OXYHRHWGDBDDLD-HNNXBMFYSA-N	0	3	269.304	2.041	10	30		CEEEHN
CN(Cc1ccoc1)Cc1sccc1C#CCN	ZINC000043683928	175092291	/nfs/dbraw/zinc/09/22/91/175092291.db2.gz	BOOASOJHTYGALW-UHFFFAOYSA-N	0	3	260.362	2.283	10	30		CEEEHN
CN(Cc1sccc1C#CCN)C[C@H]1CCCCO1	ZINC000043683815	175092315	/nfs/dbraw/zinc/09/23/15/175092315.db2.gz	QVGZTRCXADWYSW-CQSZACIVSA-N	0	3	278.421	2.059	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)CC(F)(F)F	ZINC000043688945	175096070	/nfs/dbraw/zinc/09/60/70/175096070.db2.gz	IKZNQYBPYATWFJ-UHFFFAOYSA-N	0	3	262.300	2.052	10	30		CEEEHN
CCCO[C@@H]1CCCN(Cc2cc(C#CCO)cs2)C1	ZINC000043698662	175096968	/nfs/dbraw/zinc/09/69/68/175096968.db2.gz	RHZBOIWEKKQEAB-OAHLLOKOSA-N	0	3	293.432	2.483	10	30		CEEEHN
CN[C@@](C)(C#N)CCCCN1CCN(C(C)(C)C)CC1	ZINC000045318480	175359173	/nfs/dbraw/zinc/35/91/73/175359173.db2.gz	KPWZUWRAORTIAL-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000071211006	176083200	/nfs/dbraw/zinc/08/32/00/176083200.db2.gz	BTZDGBHXJDAJIQ-NHYWBVRUSA-N	0	3	274.339	2.054	10	30		CEEEHN
CC[C@@H](N)[C@H](c1ccc(C)o1)N(CCC#N)CCOC	ZINC000071222688	176088129	/nfs/dbraw/zinc/08/81/29/176088129.db2.gz	LSHFVUMDHZARJR-UKRRQHHQSA-N	0	3	279.384	2.229	10	30		CEEEHN
COCCN(CCC#N)c1ccc(F)cc1[C@@H](C)N	ZINC000071225935	176089471	/nfs/dbraw/zinc/08/94/71/176089471.db2.gz	UTHLAONVIKCFMJ-LLVKDONJSA-N	0	3	265.332	2.212	10	30		CEEEHN
Cc1ccc2c(c1)C(C#N)N(CCCCCO)C2=O	ZINC000071678058	176242778	/nfs/dbraw/zinc/24/27/78/176242778.db2.gz	GWPLNZSYPYEWGD-AWEZNQCLSA-N	0	3	258.321	2.178	10	30		CEEEHN
Cc1nc(N2C[C@@H](C)NC[C@H]2C)c(Cl)cc1C#N	ZINC000261566563	274842895	/nfs/dbraw/zinc/84/28/95/274842895.db2.gz	IHQJBVTVJSLTOG-RKDXNWHRSA-N	0	3	264.760	2.102	10	30		CEEEHN
C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)N(C)C1CC1	ZINC000329487928	279241466	/nfs/dbraw/zinc/24/14/66/279241466.db2.gz	XZWRPWGDXIFMJP-ZYHUDNBSSA-N	0	3	293.367	2.313	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@H]2Cn2ccnc2)s1	ZINC000188398756	280138678	/nfs/dbraw/zinc/13/86/78/280138678.db2.gz	LVSLEDZVGCWQLP-LBPRGKRZSA-N	0	3	272.377	2.481	10	30		CEEEHN
C[C@@H]1CN2CCC[C@H]2CN1Cc1cc(C#N)cs1	ZINC000245737088	280259039	/nfs/dbraw/zinc/25/90/39/280259039.db2.gz	LATLCJBVGHPXJS-YPMHNXCESA-N	0	3	261.394	2.288	10	30		CEEEHN
N#C[C@@H]1CCC[C@H]1NC1CCN(CC(F)(F)F)CC1	ZINC000061892455	294822183	/nfs/dbraw/zinc/82/21/83/294822183.db2.gz	DCEXZSUFMDOMPX-CMPLNLGQSA-N	0	3	275.318	2.295	10	30		CEEEHN
Cc1nc(C[C@@H]2CCCN(CCCSCC#N)C2)no1	ZINC000173881955	329153217	/nfs/dbraw/zinc/15/32/17/329153217.db2.gz	LYPYYAZXTLFWPR-ZDUSSCGKSA-N	0	3	294.424	2.279	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1	ZINC000424058927	330218579	/nfs/dbraw/zinc/21/85/79/330218579.db2.gz	AEHYHRZLBMLSDM-ILDUYXDCSA-N	0	3	291.317	2.245	10	30		CEEEHN
C#CCOc1ccc(Cl)cc1CN[C@@H](CC)CO	ZINC000045945670	330350028	/nfs/dbraw/zinc/35/00/28/330350028.db2.gz	UJVXVMDNQNQRKJ-ZDUSSCGKSA-N	0	3	267.756	2.213	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N(CCOC)[C@@H](C)COC	ZINC000068613289	520031711	/nfs/dbraw/zinc/03/17/11/520031711.db2.gz	QWVXOKSVWKAHNY-OWCLPIDISA-N	0	3	299.459	2.030	10	30		CEEEHN
CCN(CCOC)CCOc1ccc(CC#N)cc1	ZINC000049011501	521135564	/nfs/dbraw/zinc/13/55/64/521135564.db2.gz	JGHMPTAPWKLDTA-UHFFFAOYSA-N	0	3	262.353	2.100	10	30		CEEEHN
CC(C)CN1CCN([C@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068615138	519728112	/nfs/dbraw/zinc/72/81/12/519728112.db2.gz	ATQFAWFTAOSBEJ-SJORKVTESA-N	0	3	294.487	2.319	10	30		CEEEHN
CC(C)NCc1nccn1Cc1cc(C#N)ccc1F	ZINC000051014754	519729087	/nfs/dbraw/zinc/72/90/87/519729087.db2.gz	ASALSFAKVFXBIV-UHFFFAOYSA-N	0	3	272.327	2.440	10	30		CEEEHN
CC(C)C[C@@H](CN(C)C)NCc1cccnc1C#N	ZINC000061658397	519776114	/nfs/dbraw/zinc/77/61/14/519776114.db2.gz	ZHKRSXNPOLSCJU-AWEZNQCLSA-N	0	3	260.385	2.019	10	30		CEEEHN
CC(C)c1ccc(C(C#N)C(=O)[C@@H]2COCCO2)cc1	ZINC000055302099	519838922	/nfs/dbraw/zinc/83/89/22/519838922.db2.gz	ILYBYPAQTRZGDV-CABCVRRESA-N	0	3	273.332	2.402	10	30		CEEEHN
CNCc1ccc([N+](=O)[O-])c(OCCCCC#N)c1	ZINC000050516628	522124639	/nfs/dbraw/zinc/12/46/39/522124639.db2.gz	JBPVGZXMLDELEI-UHFFFAOYSA-N	0	3	263.297	2.387	10	30		CEEEHN
CC[C@H]1CCC[C@@H](NC(=O)c2cncc(C#CCN)c2)C1	ZINC000068594065	523120682	/nfs/dbraw/zinc/12/06/82/523120682.db2.gz	FWUUZCZJJDKMDO-XJKSGUPXSA-N	0	3	285.391	2.090	10	30		CEEEHN
COCCNCc1ccc(OCCCC#N)c(OC)c1	ZINC000062731949	523953645	/nfs/dbraw/zinc/95/36/45/523953645.db2.gz	HXILXLZKCIOSJS-UHFFFAOYSA-N	0	3	278.352	2.114	10	30		CEEEHN
CC[C@H](C)N1CCN(C[C@@](C#N)(NC(C)C)C2CC2)CC1	ZINC000069082469	523955448	/nfs/dbraw/zinc/95/54/48/523955448.db2.gz	UGMIPXHNQFDNOG-DOTOQJQBSA-N	0	3	292.471	2.073	10	30		CEEEHN
CSCCCNCc1ccccc1OCC#N	ZINC000069433938	525480082	/nfs/dbraw/zinc/48/00/82/525480082.db2.gz	AVWBTBORPQSARX-UHFFFAOYSA-N	0	3	250.367	2.432	10	30		CEEEHN
C[C@@H](C#N)Oc1cc(CNC2CC2)ccc1[N+](=O)[O-]	ZINC000050517223	526238621	/nfs/dbraw/zinc/23/86/21/526238621.db2.gz	ZYAKVURXXPBRTP-VIFPVBQESA-N	0	3	261.281	2.138	10	30		CEEEHN
C#CCOC[C@H](O)CN(Cc1ccc(C)s1)C1CC1	ZINC000036101325	361829604	/nfs/dbraw/zinc/82/96/04/361829604.db2.gz	VMBMNBZDBDTEEY-CQSZACIVSA-N	0	3	279.405	2.032	10	30		CEEEHN
C#CCN(CCC)[C@H]1COc2ccc(OC)cc2C1	ZINC000038777849	343434965	/nfs/dbraw/zinc/43/49/65/343434965.db2.gz	MQBLRNGQQYSICL-CQSZACIVSA-N	0	3	259.349	2.344	10	30		CEEEHN
C#CCOc1ccccc1CN1CC[C@H](c2cnn(C)c2)C1	ZINC000128488486	187373707	/nfs/dbraw/zinc/37/37/07/187373707.db2.gz	BFILZZBRHVNZDA-HNNXBMFYSA-N	0	3	295.386	2.422	10	30		CEEEHN
C[C@@H](CN1CCCC1)Nc1c(C#N)nnc2ccccc21	ZINC000085920245	179199292	/nfs/dbraw/zinc/19/92/92/179199292.db2.gz	YCWQKWUYJCVNFI-LBPRGKRZSA-N	0	3	281.363	2.398	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1sccc1C#CCN	ZINC000086081135	179227614	/nfs/dbraw/zinc/22/76/14/179227614.db2.gz	UVVLNOLUQJNRFR-LOWVWBTDSA-N	0	3	276.405	2.223	10	30		CEEEHN
CC(C)N[C@H]1CCN(c2cc(Cl)ccc2C#N)C1=O	ZINC000086115378	179234167	/nfs/dbraw/zinc/23/41/67/179234167.db2.gz	UQIBXQGACJTVGE-LBPRGKRZSA-N	0	3	277.755	2.315	10	30		CEEEHN
COc1ccccc1N[C@]1(C#N)CCCN(C)CC1	ZINC000086819711	179348750	/nfs/dbraw/zinc/34/87/50/179348750.db2.gz	SYLGXFRBFYZVSY-OAHLLOKOSA-N	0	3	259.353	2.485	10	30		CEEEHN
CC(C)CCC[C@H](C)NC(=O)c1ccncc1C#CCN	ZINC000091462215	180162683	/nfs/dbraw/zinc/16/26/83/180162683.db2.gz	DGWVEZROQWWKES-AWEZNQCLSA-N	0	3	287.407	2.336	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)C(=O)N1CCCCC1	ZINC000091969694	180295018	/nfs/dbraw/zinc/29/50/18/180295018.db2.gz	XOGQTKJZKIDSHX-UHFFFAOYSA-N	0	3	291.420	2.096	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@H]1c1cccs1	ZINC000105785541	186071221	/nfs/dbraw/zinc/07/12/21/186071221.db2.gz	IZLMIKCLKRLZEG-NSHDSACASA-N	0	3	250.367	2.187	10	30		CEEEHN
CC(C)c1nc2n(n1)C[C@@H](NCc1ccc(C#N)cc1)CC2	ZINC000105873814	186082482	/nfs/dbraw/zinc/08/24/82/186082482.db2.gz	KECWIBVSFTVFJR-HNNXBMFYSA-N	0	3	295.390	2.378	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21	ZINC000092474303	180393723	/nfs/dbraw/zinc/39/37/23/180393723.db2.gz	LQMJBQQWRRCGMZ-CYBMUJFWSA-N	0	3	276.380	2.493	10	30		CEEEHN
C=CCNCC(=O)NCc1cccc2ccccc21	ZINC000092475695	180394247	/nfs/dbraw/zinc/39/42/47/180394247.db2.gz	SGZSVFZLGAOEDE-UHFFFAOYSA-N	0	3	254.333	2.232	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1cccc(C#CCN)c1	ZINC000110847574	186328444	/nfs/dbraw/zinc/32/84/44/186328444.db2.gz	XLFMTJJNMAENLT-UHFFFAOYSA-N	0	3	270.376	2.259	10	30		CEEEHN
NCC#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000111102486	186353069	/nfs/dbraw/zinc/35/30/69/186353069.db2.gz	WPJRQLNGZGLLBF-YNEHKIRRSA-N	0	3	288.416	2.224	10	30		CEEEHN
N#Cc1ccc(C(=O)Nc2ccc3c(c2)CNCC3)cc1	ZINC000069052693	283133614	/nfs/dbraw/zinc/13/36/14/283133614.db2.gz	HOZHWHIOKMRMDU-UHFFFAOYSA-N	0	3	277.327	2.456	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1	ZINC000171601585	367576389	/nfs/dbraw/zinc/57/63/89/367576389.db2.gz	AIUULWONMCGOLL-MRXNPFEDSA-N	0	3	281.363	2.062	10	30		CEEEHN
C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000187711754	369207782	/nfs/dbraw/zinc/20/77/82/369207782.db2.gz	OQIXSEBXQUVBAE-VKJFTORMSA-N	0	3	299.418	2.272	10	30		CEEEHN
C=CCC1(C(=O)N[C@H]2CCCN(CC)C2)CCC1	ZINC000191300133	369699323	/nfs/dbraw/zinc/69/93/23/369699323.db2.gz	QRSHVLLMDGELLF-ZDUSSCGKSA-N	0	3	250.386	2.333	10	30		CEEEHN
CC1(C)CCN(C(=O)c2ccc(C#CCN)c(F)c2)C1	ZINC000094808508	184869812	/nfs/dbraw/zinc/86/98/12/184869812.db2.gz	NYGLRANCEQSCDP-UHFFFAOYSA-N	0	3	274.339	2.008	10	30		CEEEHN
Cc1cc(C(=O)NCc2ccc(C)nc2)sc1C#CCN	ZINC000094536772	184814254	/nfs/dbraw/zinc/81/42/54/184814254.db2.gz	FCYFBWQVDYNMOZ-UHFFFAOYSA-N	0	3	299.399	2.000	10	30		CEEEHN
COc1cc(CNC[C@H](O)C(C)(C)C)ccc1C#N	ZINC000281638299	195317597	/nfs/dbraw/zinc/31/75/97/195317597.db2.gz	ITECANALNPWIGG-AWEZNQCLSA-N	0	3	262.353	2.063	10	30		CEEEHN
CN(CCN1CCC(C#N)CC1)Cc1ccc(F)cc1	ZINC000159033807	395057591	/nfs/dbraw/zinc/05/75/91/395057591.db2.gz	QKMXFFVVOGWRRE-UHFFFAOYSA-N	0	3	275.371	2.493	10	30		CEEEHN
Cc1cc(N2CC[C@H](N3CCCC3)C2)c(C#N)c(C)n1	ZINC000156580298	395032519	/nfs/dbraw/zinc/03/25/19/395032519.db2.gz	FBPCNRRQENBJHN-AWEZNQCLSA-N	0	3	270.380	2.245	10	30		CEEEHN
CCC[C@H](C(=O)NCc1ccc(C#N)cc1F)N(C)C	ZINC000178661586	395172326	/nfs/dbraw/zinc/17/23/26/395172326.db2.gz	AMTKZHOGXJDPHS-CQSZACIVSA-N	0	3	277.343	2.044	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(F)c1C#N	ZINC000188384951	153055333	/nfs/dbraw/zinc/05/53/33/153055333.db2.gz	BDMNRUSOTUZDOA-GFCCVEGCSA-N	0	3	291.370	2.403	10	30		CEEEHN
CN(C)CCN[C@H](C#N)c1cccc(Br)c1	ZINC000020176177	171042540	/nfs/dbraw/zinc/04/25/40/171042540.db2.gz	ZUUJTSOIEQYUGT-GFCCVEGCSA-N	0	3	282.185	2.165	10	30		CEEEHN
C[C@H](NC[C@H](O)COC(C)(C)C)c1ccc(C#N)cc1	ZINC000037749535	173672219	/nfs/dbraw/zinc/67/22/19/173672219.db2.gz	VYQFRGVGQFCSTJ-WFASDCNBSA-N	0	3	276.380	2.385	10	30		CEEEHN
C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccc(C#N)cc1	ZINC000040462987	174272149	/nfs/dbraw/zinc/27/21/49/174272149.db2.gz	DEOKXZROESEOTE-GXFFZTMASA-N	0	3	259.353	2.109	10	30		CEEEHN
OCCC#Cc1ccsc1CN1CCCC[C@@H]1CCO	ZINC000043679237	175089865	/nfs/dbraw/zinc/08/98/65/175089865.db2.gz	GSEWKOATLVSZBI-OAHLLOKOSA-N	0	3	293.432	2.219	10	30		CEEEHN
NCC#Cc1ccsc1COc1ccc2c(c1)OCO2	ZINC000043685136	175094074	/nfs/dbraw/zinc/09/40/74/175094074.db2.gz	POPYVODWFRETFM-UHFFFAOYSA-N	0	3	287.340	2.366	10	30		CEEEHN
COCCN(CC(C)C)C(=O)C(C#N)Cc1ccccc1	ZINC000044826209	175259323	/nfs/dbraw/zinc/25/93/23/175259323.db2.gz	UIICNSQMLPGEOW-MRXNPFEDSA-N	0	3	288.391	2.500	10	30		CEEEHN
CC[C@@H](C)N(CCOC)CC[C@@](C)(C#N)NC(C)C	ZINC000045182722	175325314	/nfs/dbraw/zinc/32/53/14/175325314.db2.gz	FWSQVZLRUJFSIU-CABCVRRESA-N	0	3	269.433	2.404	10	30		CEEEHN
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cncc(C#CCN)c2)C1	ZINC000049629612	175497061	/nfs/dbraw/zinc/49/70/61/175497061.db2.gz	CSMYRVZGSLEADW-CZUORRHYSA-N	0	3	285.391	2.043	10	30		CEEEHN
COCCN(CCC#N)c1cccc(F)c1[C@H](C)N	ZINC000071225956	176089746	/nfs/dbraw/zinc/08/97/46/176089746.db2.gz	KAGKXQDOOHAMJX-NSHDSACASA-N	0	3	265.332	2.212	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)c2ccccc2F)c1	ZINC000071322557	176122843	/nfs/dbraw/zinc/12/28/43/176122843.db2.gz	ICJGCPIMGSZFDY-UHFFFAOYSA-N	0	3	288.347	2.127	10	30		CEEEHN
Cc1ccc(C(=O)NCc2cc(C#CCN)cs2)c(C)n1	ZINC000071322576	176122965	/nfs/dbraw/zinc/12/29/65/176122965.db2.gz	PWZAFTZGSLPUJC-UHFFFAOYSA-N	0	3	299.399	2.000	10	30		CEEEHN
CN(C)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000078835766	273808855	/nfs/dbraw/zinc/80/88/55/273808855.db2.gz	LQCQBHFAIMBHMF-SNVBAGLBSA-N	0	3	284.285	2.112	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NCc2cc(C#N)cs2)C1	ZINC000247490905	280331391	/nfs/dbraw/zinc/33/13/91/280331391.db2.gz	WWDQAGKKPQRFJG-SMDDNHRTSA-N	0	3	263.410	2.438	10	30		CEEEHN
C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000246394698	290222259	/nfs/dbraw/zinc/22/22/59/290222259.db2.gz	JBTQQHXEGHDWOE-RKVPGOIHSA-N	0	3	299.418	2.272	10	30		CEEEHN
C=C[C@](C)(CCOC)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000189365244	329380005	/nfs/dbraw/zinc/38/00/05/329380005.db2.gz	YPYGBVHWWPDGBO-OFQRWUPVSA-N	0	3	282.428	2.060	10	30		CEEEHN
C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(N(CC)CC(=O)[O-])C1	ZINC000263527180	330058882	/nfs/dbraw/zinc/05/88/82/330058882.db2.gz	UPFSWUMCZVRKDD-KBHBFKLGSA-N	0	3	268.401	2.114	10	30		CEEEHN
CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1	ZINC000424083614	330222445	/nfs/dbraw/zinc/22/24/45/330222445.db2.gz	NFBJBKDYBYOALD-KBPBESRZSA-N	0	3	259.353	2.275	10	30		CEEEHN
CCNC(C)(C)C(=O)Nc1cc(C#N)cc(F)c1C	ZINC000061292812	519906065	/nfs/dbraw/zinc/90/60/65/519906065.db2.gz	HRCIKOYQPXDRGF-UHFFFAOYSA-N	0	3	263.316	2.332	10	30		CEEEHN
CCNCc1ccc([N+](=O)[O-])c(OCCCC#N)c1	ZINC000050516990	520001973	/nfs/dbraw/zinc/00/19/73/520001973.db2.gz	NIKFCFVQRZULBJ-UHFFFAOYSA-N	0	3	263.297	2.387	10	30		CEEEHN
CCN(Cc1nc(NN)ccc1Cl)C[C@@H](C)C#N	ZINC000061638527	521451201	/nfs/dbraw/zinc/45/12/01/521451201.db2.gz	URNPJCSIBCPGAP-VIFPVBQESA-N	0	3	267.764	2.002	10	30		CEEEHN
COCCN(CC[C@@H](C#N)NC(C)C)[C@@H](C)C1CC1	ZINC000062437293	523726972	/nfs/dbraw/zinc/72/69/72/523726972.db2.gz	SWVPWWQMURTLOM-ZFWWWQNUSA-N	0	3	267.417	2.014	10	30		CEEEHN
CN(C(=O)[C@@H](CN)c1ccccc1)c1ccc(C#N)cc1	ZINC000061980467	523892340	/nfs/dbraw/zinc/89/23/40/523892340.db2.gz	WRDUIXYIIGMOFH-INIZCTEOSA-N	0	3	279.343	2.264	10	30		CEEEHN
N#CC(C(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCO2	ZINC000050963924	526492656	/nfs/dbraw/zinc/49/26/56/526492656.db2.gz	FOZALEAUUGHVTI-YPMHNXCESA-N	0	3	273.288	2.161	10	30		CEEEHN
N#CC(C(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCO2	ZINC000050963930	526507286	/nfs/dbraw/zinc/50/72/86/526507286.db2.gz	FOZALEAUUGHVTI-WCQYABFASA-N	0	3	273.288	2.161	10	30		CEEEHN
N#Cc1cc(CNC[C@H]2Cc3ccccc3O2)ccn1	ZINC000068752958	526550645	/nfs/dbraw/zinc/55/06/45/526550645.db2.gz	RIBLSQIVNGOUAS-OAHLLOKOSA-N	0	3	265.316	2.047	10	30		CEEEHN
COC[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1	ZINC000171482397	639719969	/nfs/dbraw/zinc/71/99/69/639719969.db2.gz	JBGOSIUDUFUBCB-UWVGGRQHSA-N	0	3	258.277	2.287	10	30		CEEEHN
COCCCSCc1cc(C#CCN)cs1	ZINC000082630022	178140984	/nfs/dbraw/zinc/14/09/84/178140984.db2.gz	HDAXYGVWRBXFIG-UHFFFAOYSA-N	0	3	255.408	2.328	10	30		CEEEHN
C#CCN(C)Cc1ccc(N)c(Br)c1	ZINC000130328463	344352009	/nfs/dbraw/zinc/35/20/09/344352009.db2.gz	LBPIHULSEIPPJE-UHFFFAOYSA-N	0	3	253.143	2.096	10	30		CEEEHN
CC[C@@H](C)CNC(=O)c1cc(C#CCN)ccc1C	ZINC000087748416	179481042	/nfs/dbraw/zinc/48/10/42/179481042.db2.gz	NSVVZICHMCODCZ-GFCCVEGCSA-N	0	3	258.365	2.081	10	30		CEEEHN
CCCCN(C(=O)c1ccncc1C#CCN)[C@H](C)CC	ZINC000091462526	180162316	/nfs/dbraw/zinc/16/23/16/180162316.db2.gz	DTDNZUIIPMNSIB-CQSZACIVSA-N	0	3	287.407	2.433	10	30		CEEEHN
C=C(CC)C[C@@H](O)C1(N2CCOCC2)CCCC1	ZINC000091642809	180214125	/nfs/dbraw/zinc/21/41/25/180214125.db2.gz	DGRZIBDDYPHJMU-CQSZACIVSA-N	0	3	253.386	2.349	10	30		CEEEHN
C[C@H]1CCCN(C(=O)Nc2ccc(C#CCN)cc2F)C1	ZINC000091992428	180300306	/nfs/dbraw/zinc/30/03/06/180300306.db2.gz	ODBINCWNEKGEQV-LBPRGKRZSA-N	0	3	289.354	2.400	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)CSc2ccccc2)n1	ZINC000092232665	180349059	/nfs/dbraw/zinc/34/90/59/180349059.db2.gz	WOBWEXYYTYJGPS-UHFFFAOYSA-N	0	3	297.383	2.123	10	30		CEEEHN
C=CCNCC(=O)N[C@H](CC)c1ccccc1OC	ZINC000092473955	180393728	/nfs/dbraw/zinc/39/37/28/180393728.db2.gz	KQAIUBISJOTFOZ-CYBMUJFWSA-N	0	3	262.353	2.038	10	30		CEEEHN
COc1ccc(C#CCN)cc1CSc1cnccn1	ZINC000110914148	186332275	/nfs/dbraw/zinc/33/22/75/186332275.db2.gz	HXRMKMYLOGPBTM-UHFFFAOYSA-N	0	3	285.372	2.088	10	30		CEEEHN
CN1CCN(CCOc2ccc(CC#N)cc2)CC1(C)C	ZINC000110719277	186316610	/nfs/dbraw/zinc/31/66/10/186316610.db2.gz	HCOCWVHBSSTNSU-UHFFFAOYSA-N	0	3	287.407	2.157	10	30		CEEEHN
C=CCC(CC=C)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000131217026	366032420	/nfs/dbraw/zinc/03/24/20/366032420.db2.gz	ULWOULMXZOYRLY-CQSZACIVSA-N	0	3	250.386	2.355	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)c1nccc(C)c1C#N	ZINC000135084741	187794191	/nfs/dbraw/zinc/79/41/91/187794191.db2.gz	RWLWWAAHARXVAW-ZDUSSCGKSA-N	0	3	258.369	2.182	10	30		CEEEHN
N#CCSCCCN1CCO[C@@H]2CCCC[C@@H]21	ZINC000074981858	283054439	/nfs/dbraw/zinc/05/44/39/283054439.db2.gz	GJNHDIZXIZTNOE-QWHCGFSZSA-N	0	3	254.399	2.277	10	30		CEEEHN
N#CCSCCCN1CCO[C@H]2CCCC[C@H]21	ZINC000074981857	363429873	/nfs/dbraw/zinc/42/98/73/363429873.db2.gz	GJNHDIZXIZTNOE-OLZOCXBDSA-N	0	3	254.399	2.277	10	30		CEEEHN
[O-]/N=C(/C/[N+](O)=C\c1ccccc1)c1ccccc1	ZINC000143291764	366568257	/nfs/dbraw/zinc/56/82/57/366568257.db2.gz	ZDYQZHVTFKLHSF-AQTBHVRNSA-O	0	3	255.297	2.386	10	30		CEEEHN
Cc1cc(C#N)ccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000245960798	370895223	/nfs/dbraw/zinc/89/52/23/370895223.db2.gz	SFMHJYGYFSHLFH-CJNGLKHVSA-N	0	3	285.391	2.325	10	30		CEEEHN
C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000181091161	368419011	/nfs/dbraw/zinc/41/90/11/368419011.db2.gz	BNOZQZDYDRXRJT-CHWSQXEVSA-N	0	3	253.390	2.077	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2cccc(C#N)c2)C1	ZINC000246321000	370946195	/nfs/dbraw/zinc/94/61/95/370946195.db2.gz	WYBMFPNZUFNVBQ-SWLSCSKDSA-N	0	3	286.379	2.408	10	30		CEEEHN
N#Cc1ccc(NC[C@H]2NCCc3ccccc32)nc1	ZINC000261734415	371714303	/nfs/dbraw/zinc/71/43/03/371714303.db2.gz	LJIAUYBSUYPLDO-OAHLLOKOSA-N	0	3	264.332	2.252	10	30		CEEEHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](N)CCC	ZINC000236899515	394488544	/nfs/dbraw/zinc/48/85/44/394488544.db2.gz	BDMIEOFQVDWALK-CQSZACIVSA-N	0	3	291.351	2.237	10	30		CEEEHN
C[C@@H]1CN2CCC[C@H]2CN1Cc1ccc(C#N)s1	ZINC000245729769	394504119	/nfs/dbraw/zinc/50/41/19/394504119.db2.gz	JMYOTCUNXMMWFA-NEPJUHHUSA-N	0	3	261.394	2.288	10	30		CEEEHN
N#Cc1c(F)cccc1O[C@@H](CN)c1cccnc1	ZINC000043351240	175019859	/nfs/dbraw/zinc/01/98/59/175019859.db2.gz	RBMGJJYYUOPSPH-AWEZNQCLSA-N	0	3	257.268	2.171	10	30		CEEEHN
CCO[C@@H]1CCCN(Cc2sccc2C#CCO)C1	ZINC000043679885	175090345	/nfs/dbraw/zinc/09/03/45/175090345.db2.gz	HLNWEPGSZRCGRD-CQSZACIVSA-N	0	3	279.405	2.093	10	30		CEEEHN
NCC#Cc1ccsc1COc1ccc(CO)cc1	ZINC000043685400	175093941	/nfs/dbraw/zinc/09/39/41/175093941.db2.gz	UDHPHSRXMNAPMF-UHFFFAOYSA-N	0	3	273.357	2.130	10	30		CEEEHN
CC1(C)COCCN1C(=O)C(C#N)Cc1ccccc1	ZINC000044824453	175259112	/nfs/dbraw/zinc/25/91/12/175259112.db2.gz	FRIVHYYXWIYICO-AWEZNQCLSA-N	0	3	272.348	2.006	10	30		CEEEHN
CC(C)[C@@H](CN(C)C)NC(=O)[C@@H](C#N)Cc1ccccc1	ZINC000044825397	175259319	/nfs/dbraw/zinc/25/93/19/175259319.db2.gz	KHOFDEDDUSOLFA-HZPDHXFCSA-N	0	3	287.407	2.071	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000071322531	176122902	/nfs/dbraw/zinc/12/29/02/176122902.db2.gz	LGIPSQJPJOKRLE-LNSITVRQSA-N	0	3	288.416	2.111	10	30		CEEEHN
C=CC[C@H]1CCCN(C(=O)[C@]2(C)CCCCN2)C1	ZINC000662630993	415912817	/nfs/dbraw/zinc/91/28/17/415912817.db2.gz	OJWXEYGLVFGILC-ZFWWWQNUSA-N	0	3	250.386	2.333	10	30		CEEEHN
C[C@H]1CN(c2ccc(Br)cc2C#N)CCN1	ZINC000161813544	274592644	/nfs/dbraw/zinc/59/26/44/274592644.db2.gz	IIQJFRGMJCOTQH-VIFPVBQESA-N	0	3	280.169	2.119	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)c1sccc1C#N	ZINC000176991987	276182219	/nfs/dbraw/zinc/18/22/19/276182219.db2.gz	JSKJWYKYTNVEFF-LBPRGKRZSA-N	0	3	277.393	2.176	10	30		CEEEHN
CCC1CCC(NC(=O)[C@H](N)CCCC#N)CC1	ZINC000424107949	330234848	/nfs/dbraw/zinc/23/48/48/330234848.db2.gz	ZNLPEAITWVHEFT-WXRRBKDZSA-N	0	3	251.374	2.093	10	30		CEEEHN
C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000248901431	334321345	/nfs/dbraw/zinc/32/13/45/334321345.db2.gz	HIVXONJWMPSKFY-UMVBOHGHSA-N	0	3	252.402	2.434	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N1CCN(C(C)C)CC1	ZINC000068611639	520032660	/nfs/dbraw/zinc/03/26/60/520032660.db2.gz	RSJMPDMXUGOXDI-HZPDHXFCSA-N	0	3	280.460	2.073	10	30		CEEEHN
C=C(Br)CN[C@@H](C)CN1CCCCC1	ZINC000049501429	518582887	/nfs/dbraw/zinc/58/28/87/518582887.db2.gz	HTKKUHRRCZMNBY-NSHDSACASA-N	0	3	261.207	2.359	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)C[C@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613215	519735708	/nfs/dbraw/zinc/73/57/08/519735708.db2.gz	UFSAITGYUNGBES-DOTOQJQBSA-N	0	3	294.487	2.461	10	30		CEEEHN
CC(C)CNCc1cc([N+](=O)[O-])ccc1OCC#N	ZINC000062732077	519747208	/nfs/dbraw/zinc/74/72/08/519747208.db2.gz	YEROILRUDYIBOW-UHFFFAOYSA-N	0	3	263.297	2.243	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@H](C)N1CCN(C2CCCC2)CC1	ZINC000068614879	520225372	/nfs/dbraw/zinc/22/53/72/520225372.db2.gz	MWDNEQYUPAUWPX-RDJZCZTQSA-N	0	3	292.471	2.217	10	30		CEEEHN
CCC[C@@H](CC)NC(=O)c1ccc(F)cc1C#CCN	ZINC000050398577	520684711	/nfs/dbraw/zinc/68/47/11/520684711.db2.gz	MWCWIZVSGUZDMO-CQSZACIVSA-N	0	3	276.355	2.444	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1cccc(C#CCN)c1	ZINC000069461726	521298728	/nfs/dbraw/zinc/29/87/28/521298728.db2.gz	SGKGDZNARVZXGD-UHFFFAOYSA-N	0	3	258.365	2.257	10	30		CEEEHN
CCC(CC)C(=O)N(C)Cc1cccc(C#CCN)c1	ZINC000049586949	521483131	/nfs/dbraw/zinc/48/31/31/521483131.db2.gz	RYTVMQNSULVXAF-UHFFFAOYSA-N	0	3	272.392	2.391	10	30		CEEEHN
CN(C)C[C@H]1CCCN1C(=O)C1(C#N)CCCCCC1	ZINC000061645845	521862391	/nfs/dbraw/zinc/86/23/91/521862391.db2.gz	UVMJWCYRBGQGGS-CQSZACIVSA-N	0	3	277.412	2.403	10	30		CEEEHN
CC[C@@H](C)C(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587222	521918432	/nfs/dbraw/zinc/91/84/32/521918432.db2.gz	FKXNHQALBCQOEO-CHWSQXEVSA-N	0	3	258.365	2.220	10	30		CEEEHN
CN[C@@H](C)C(=O)Nc1ccc(C#N)cc1C(F)(F)F	ZINC000054073384	522322087	/nfs/dbraw/zinc/32/20/87/522322087.db2.gz	JNLHRTBLOVYMEX-ZETCQYMHSA-N	0	3	271.242	2.123	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(OC)c(C#CCN)c1	ZINC000049105856	522358560	/nfs/dbraw/zinc/35/85/60/522358560.db2.gz	ZKCVSHSRDGJKBJ-OLZOCXBDSA-N	0	3	288.391	2.170	10	30		CEEEHN
CN[C@H]1COc2cc(OCc3cccnc3C#N)ccc21	ZINC000062804252	522507812	/nfs/dbraw/zinc/50/78/12/522507812.db2.gz	GOFAMZXFDKEHCP-HNNXBMFYSA-N	0	3	281.315	2.185	10	30		CEEEHN
CC[C@H]1CCCC[C@@H]1NC(=O)c1cncc(C#CCN)c1	ZINC000049629640	523043515	/nfs/dbraw/zinc/04/35/15/523043515.db2.gz	FOOCXHDWWBIYGY-HOCLYGCPSA-N	0	3	285.391	2.090	10	30		CEEEHN
CN(Cc1cccc(C#CCCO)c1)[C@@H]1CCSC1	ZINC000049617843	523291697	/nfs/dbraw/zinc/29/16/97/523291697.db2.gz	VVJPSFVAQBHLEY-MRXNPFEDSA-N	0	3	275.417	2.358	10	30		CEEEHN
CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C#CCN)cn2)C1	ZINC000068594050	523301896	/nfs/dbraw/zinc/30/18/96/523301896.db2.gz	ZTBBYTCGQXCFHH-HIFRSBDPSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C#CCN)cc1F	ZINC000049609841	523342928	/nfs/dbraw/zinc/34/29/28/523342928.db2.gz	UBSPZENYVWSQEJ-BBRMVZONSA-N	0	3	290.382	2.135	10	30		CEEEHN
CN(Cc1ccoc1)C(=O)c1ccc(F)cc1C#CCN	ZINC000048911420	523472254	/nfs/dbraw/zinc/47/22/54/523472254.db2.gz	XHHSIUSDZAHVFA-UHFFFAOYSA-N	0	3	286.306	2.001	10	30		CEEEHN
COc1ccc(C#CCCO)cc1CN(C)C(C)C	ZINC000049616512	523511365	/nfs/dbraw/zinc/51/13/65/523511365.db2.gz	SRQXBOAHOOXDRZ-UHFFFAOYSA-N	0	3	261.365	2.269	10	30		CEEEHN
COCCN(Cc1ccc(F)c(C#CCCO)c1)C1CC1	ZINC000049614241	523748052	/nfs/dbraw/zinc/74/80/52/523748052.db2.gz	HQOWEKDZKRVNBN-UHFFFAOYSA-N	0	3	291.366	2.170	10	30		CEEEHN
COc1ccc(CN2CCCCC2)cc1C#CCCO	ZINC000049616740	524025456	/nfs/dbraw/zinc/02/54/56/524025456.db2.gz	UMZRUUQQVBQRPF-UHFFFAOYSA-N	0	3	273.376	2.415	10	30		CEEEHN
COc1cccc(C(C#N)C(=O)[C@H]2CCCCO2)c1	ZINC000050963983	524138544	/nfs/dbraw/zinc/13/85/44/524138544.db2.gz	UZYYRPVHMOSHMY-UONOGXRCSA-N	0	3	259.305	2.441	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2cccc(C#CCN)c2)[C@@H]1C	ZINC000050568518	524210859	/nfs/dbraw/zinc/21/08/59/524210859.db2.gz	DCILYFILJAMUOC-ZIAGYGMSSA-N	0	3	270.376	2.257	10	30		CEEEHN
C[C@@H]1CCN(Cc2ccc(C#CCCO)cc2F)C1	ZINC000049613597	524509467	/nfs/dbraw/zinc/50/94/67/524509467.db2.gz	UKTUWOQZOWCBEP-CYBMUJFWSA-N	0	3	261.340	2.401	10	30		CEEEHN
C[C@H](NC(=O)NC(C)(C)C)c1ccc(C#CCN)cc1	ZINC000049587416	525049407	/nfs/dbraw/zinc/04/94/07/525049407.db2.gz	NKNJUWMQOHCRFH-LBPRGKRZSA-N	0	3	273.380	2.156	10	30		CEEEHN
Cc1ccc(C(=O)N(C)Cc2ccc(C#CCN)cc2)o1	ZINC000049586577	526059837	/nfs/dbraw/zinc/05/98/37/526059837.db2.gz	YCBPFZSULKOJJU-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
Cc1cnc(SCCOc2ccc(C#CCN)cc2)nc1	ZINC000049612948	526100618	/nfs/dbraw/zinc/10/06/18/526100618.db2.gz	JJFPIVDFPKDPJT-UHFFFAOYSA-N	0	3	299.399	2.266	10	30		CEEEHN
NCC#Cc1cc(F)ccc1CN1CCCCCCC1=O	ZINC000049610004	527146517	/nfs/dbraw/zinc/14/65/17/527146517.db2.gz	AOEDMKISCDWEBO-UHFFFAOYSA-N	0	3	288.366	2.429	10	30		CEEEHN
Cc1ncsc1C(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049586774	527481560	/nfs/dbraw/zinc/48/15/60/527481560.db2.gz	HAXSTTDBOCOAPE-LLVKDONJSA-N	0	3	299.399	2.253	10	30		CEEEHN
CCN[C@H](C)c1cc(F)ccc1N1CCO[C@H](C#N)C1	ZINC000093932625	535515824	/nfs/dbraw/zinc/51/58/24/535515824.db2.gz	IHQXVYBYWZHCSC-DGCLKSJQSA-N	0	3	277.343	2.225	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)/C=C\c2ccccc2C#N)C1	ZINC000255440983	624263204	/nfs/dbraw/zinc/26/32/04/624263204.db2.gz	RLRPMHRAXSECSL-YDZSZYSISA-N	0	3	283.375	2.172	10	30		CEEEHN
CCCCCCCCN[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273763	362142614	/nfs/dbraw/zinc/14/26/14/362142614.db2.gz	VTMYOAKBQRZPSW-AWEZNQCLSA-O	0	3	273.441	2.486	10	30		CEEEHN
C=C(C)CNCc1c(C(C)C)nn(C)c1N1CCOCC1	ZINC000119644670	344295894	/nfs/dbraw/zinc/29/58/94/344295894.db2.gz	OANJBGPEUFPYQI-UHFFFAOYSA-N	0	3	292.427	2.046	10	30		CEEEHN
C=CCOc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1	ZINC000170867349	344492113	/nfs/dbraw/zinc/49/21/13/344492113.db2.gz	FHJFDVHGRPKWSH-AWEZNQCLSA-N	0	3	274.364	2.028	10	30		CEEEHN
C[C@H](OCc1cccc(C#CCN)c1)C(F)(F)F	ZINC000090673658	180021854	/nfs/dbraw/zinc/02/18/54/180021854.db2.gz	XHWUWPREVJAVGQ-JTQLQIEISA-N	0	3	257.255	2.464	10	30		CEEEHN
CC[C@@H](NC(=O)c1ccncc1C#CCN)c1cccs1	ZINC000091462336	180162445	/nfs/dbraw/zinc/16/24/45/180162445.db2.gz	XIQYXFIYOBVHKC-CQSZACIVSA-N	0	3	299.399	2.334	10	30		CEEEHN
CCN1CCC(O)([C@]2(C#N)CCOc3ccccc32)CC1	ZINC000091878289	180278924	/nfs/dbraw/zinc/27/89/24/180278924.db2.gz	QINJMYJWELBDCU-INIZCTEOSA-N	0	3	286.375	2.077	10	30		CEEEHN
CC(C)C1CCC(C#N)([C@]2(O)CCN(C)C2)CC1	ZINC000091878790	180279012	/nfs/dbraw/zinc/27/90/12/180279012.db2.gz	YAQMBZPKPFMHQN-NRXISQOPSA-N	0	3	250.386	2.409	10	30		CEEEHN
CN1CCC[C@@](O)([C@]2(C#N)CCOc3ccccc32)CC1	ZINC000091888260	180280864	/nfs/dbraw/zinc/28/08/64/180280864.db2.gz	NBWPOYXLIOBWEY-IRXDYDNUSA-N	0	3	286.375	2.077	10	30		CEEEHN
CSc1ccccc1C(=O)Nc1cccc(C#CCN)n1	ZINC000092232667	180349144	/nfs/dbraw/zinc/34/91/44/180349144.db2.gz	IYLKTPZUFBTWKW-UHFFFAOYSA-N	0	3	297.383	2.366	10	30		CEEEHN
C=CCNCC(=O)N1CCc2sccc2[C@H]1C1CC1	ZINC000092474578	180394127	/nfs/dbraw/zinc/39/41/27/180394127.db2.gz	CADMENJQGKFUPH-OAHLLOKOSA-N	0	3	276.405	2.360	10	30		CEEEHN
NCC#Cc1ccc(COc2ccccc2CO)s1	ZINC000110994471	186341644	/nfs/dbraw/zinc/34/16/44/186341644.db2.gz	WZYRJISKVSAMJZ-UHFFFAOYSA-N	0	3	273.357	2.130	10	30		CEEEHN
N#Cc1cc(Cl)ccc1NC[C@H](O)CN1CCCCC1	ZINC000174684906	283095472	/nfs/dbraw/zinc/09/54/72/283095472.db2.gz	BZKVTZRCMDJMKD-AWEZNQCLSA-N	0	3	293.798	2.470	10	30		CEEEHN
C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000177225350	189037752	/nfs/dbraw/zinc/03/77/52/189037752.db2.gz	JBTQQHXEGHDWOE-VKJFTORMSA-N	0	3	299.418	2.272	10	30		CEEEHN
C=CC[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN1CC	ZINC000245425203	370818183	/nfs/dbraw/zinc/81/81/83/370818183.db2.gz	SVBQNBMELNJIMF-OLZOCXBDSA-N	0	3	253.390	2.077	10	30		CEEEHN
COc1cc(CN2CCC[C@@H]2CCCO)ccc1C#N	ZINC000234976777	370551915	/nfs/dbraw/zinc/55/19/15/370551915.db2.gz	VWDFTYLPKCNXBM-OAHLLOKOSA-N	0	3	274.364	2.304	10	30		CEEEHN
C=CCN(CC=C)CC1(O)CCC(C(=O)OCC)CC1	ZINC000233681687	370520891	/nfs/dbraw/zinc/52/08/91/370520891.db2.gz	JFHWZMZJNPYJOA-UHFFFAOYSA-N	0	3	281.396	2.145	10	30		CEEEHN
Cc1cc(C(=O)N(C)C[C@H]2C[C@@H]2C)sc1C#CCN	ZINC000094536845	184814194	/nfs/dbraw/zinc/81/41/94/184814194.db2.gz	SDEOZFYWXDDMSF-CMPLNLGQSA-N	0	3	276.405	2.095	10	30		CEEEHN
Cc1ccsc1CNC(=O)c1ccc(C#CCN)cc1	ZINC000094883567	184886992	/nfs/dbraw/zinc/88/69/92/184886992.db2.gz	ZMLHHQFZSFKYLD-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)cn1	ZINC000083704201	394640698	/nfs/dbraw/zinc/64/06/98/394640698.db2.gz	YYLDDEPZVJGRAO-GXTWGEPZSA-N	0	3	256.353	2.016	10	30		CEEEHN
C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)N1[C@H](C)CC[C@@H]1C	ZINC000359672046	394770759	/nfs/dbraw/zinc/77/07/59/394770759.db2.gz	JBETWZJMIISCRB-XHJNMGKDSA-N	0	3	263.385	2.056	10	30		CEEEHN
CN(Cc1cccs1)Cc1ccc(/C(N)=N/O)cc1	ZINC000035717558	172370919	/nfs/dbraw/zinc/37/09/19/172370919.db2.gz	YHPIYRZTKVQEDC-UHFFFAOYSA-N	0	3	275.377	2.475	10	30		CEEEHN
Cc1ccc(OCc2cccnc2)c(C#CCN)c1	ZINC000037548034	173264990	/nfs/dbraw/zinc/26/49/90/173264990.db2.gz	YPDSQPKDPSKBKB-UHFFFAOYSA-N	0	3	252.317	2.279	10	30		CEEEHN
NCC#Cc1ccc(Cn2ccc(C(F)(F)F)n2)s1	ZINC000043684454	175092570	/nfs/dbraw/zinc/09/25/70/175092570.db2.gz	JXSIFDKTVZWTLN-UHFFFAOYSA-N	0	3	285.294	2.322	10	30		CEEEHN
NCC#Cc1ccc(Cn2c(=O)oc3ccccc32)s1	ZINC000043684311	175093173	/nfs/dbraw/zinc/09/31/73/175093173.db2.gz	OZWFUOPUEWLGOO-UHFFFAOYSA-N	0	3	284.340	2.015	10	30		CEEEHN
CCc1c(C)nn(Cc2cc(C#CCN)cs2)c1C	ZINC000043689205	175096320	/nfs/dbraw/zinc/09/63/20/175096320.db2.gz	SRNRSUCMWMRDEH-UHFFFAOYSA-N	0	3	273.405	2.482	10	30		CEEEHN
CCO[C@@H]1CCCN(C(=O)C(C#N)Cc2ccccc2)C1	ZINC000044826377	175259757	/nfs/dbraw/zinc/25/97/57/175259757.db2.gz	RXBPOYVAHRDLDQ-HZPDHXFCSA-N	0	3	286.375	2.396	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN1CCC(OCC)CC1	ZINC000045181556	175324831	/nfs/dbraw/zinc/32/48/31/175324831.db2.gz	KHQGEJMXNSPSRA-HNNXBMFYSA-N	0	3	267.417	2.159	10	30		CEEEHN
CCCO[C@H]1CCCN(CC[C@@](C)(C#N)NCC)C1	ZINC000045183285	175325393	/nfs/dbraw/zinc/32/53/93/175325393.db2.gz	QLXCPTBUDBMAIX-GJZGRUSLSA-N	0	3	267.417	2.159	10	30		CEEEHN
COCCN(CC[C@@](C)(C#N)NC1CC1)CC(C)C	ZINC000045182041	175325551	/nfs/dbraw/zinc/32/55/51/175325551.db2.gz	UPTIINWYKLIJAK-HNNXBMFYSA-N	0	3	267.417	2.015	10	30		CEEEHN
CC[C@H](C)N(CCOC)CC[C@@](C)(C#N)NC(C)C	ZINC000045182724	175325881	/nfs/dbraw/zinc/32/58/81/175325881.db2.gz	FWSQVZLRUJFSIU-GJZGRUSLSA-N	0	3	269.433	2.404	10	30		CEEEHN
C[C@H]1CCC[C@H]1NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000071211008	176083150	/nfs/dbraw/zinc/08/31/50/176083150.db2.gz	BTZDGBHXJDAJIQ-XHDPSFHLSA-N	0	3	274.339	2.054	10	30		CEEEHN
COCCN(CCC#N)c1cccc(F)c1[C@@H](C)N	ZINC000071225959	176089819	/nfs/dbraw/zinc/08/98/19/176089819.db2.gz	KAGKXQDOOHAMJX-LLVKDONJSA-N	0	3	265.332	2.212	10	30		CEEEHN
C=CCCOc1ccc(OC)cc1CNCCOC	ZINC000071274796	176106414	/nfs/dbraw/zinc/10/64/14/176106414.db2.gz	BMGDSHUHYGUHQR-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2cccs2)s1	ZINC000071322671	176123045	/nfs/dbraw/zinc/12/30/45/176123045.db2.gz	RIOPUMGMQWVRPQ-UHFFFAOYSA-N	0	3	276.386	2.050	10	30		CEEEHN
Cc1ccncc1NC(=O)c1ccc(C#CCN)s1	ZINC000071414781	176160121	/nfs/dbraw/zinc/16/01/21/176160121.db2.gz	HACLFWIUYAUENV-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
Cc1cccc2c1C(=O)N(C[C@H]1CCCO1)C2C#N	ZINC000071678147	176242838	/nfs/dbraw/zinc/24/28/38/176242838.db2.gz	HMNZDZMFDDTVKO-YPMHNXCESA-N	0	3	256.305	2.195	10	30		CEEEHN
C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)Nc1cccc(C#N)c1	ZINC000183202177	279497704	/nfs/dbraw/zinc/49/77/04/279497704.db2.gz	VZPZXKFCHKGUPU-SLEUVZQESA-N	0	3	287.363	2.042	10	30		CEEEHN
N#CCCOCCN1CCC(c2nccs2)CC1	ZINC000338946926	327993047	/nfs/dbraw/zinc/99/30/47/327993047.db2.gz	AHMWGQTZROBFRS-UHFFFAOYSA-N	0	3	265.382	2.253	10	30		CEEEHN
C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1	ZINC000392939806	329402326	/nfs/dbraw/zinc/40/23/26/329402326.db2.gz	OLPCKOOWTQYRTN-IUODEOHRSA-N	0	3	274.364	2.008	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)C2(C#N)CCCCC2)C1	ZINC000247270878	334278552	/nfs/dbraw/zinc/27/85/52/334278552.db2.gz	JWIUTXPBDACYQS-ZIAGYGMSSA-N	0	3	277.412	2.305	10	30		CEEEHN
C=CCCCCCN1CCN(CCOC)[C@H](C)C1	ZINC000193336308	333248341	/nfs/dbraw/zinc/24/83/41/333248341.db2.gz	BYTQBMSXQZKJLP-OAHLLOKOSA-N	0	3	254.418	2.385	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@@H](C)N1CCN([C@@H](C)CC)CC1	ZINC000068615009	520225559	/nfs/dbraw/zinc/22/55/59/520225559.db2.gz	AMOXSLYHKSHNFI-XHSDSOJGSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCC[C@@H](C)C(=O)NCc1cccc(C#CCN)c1	ZINC000049586486	520614111	/nfs/dbraw/zinc/61/41/11/520614111.db2.gz	QKJOFZIBEPVLEK-CYBMUJFWSA-N	0	3	258.365	2.049	10	30		CEEEHN
C#CCOc1cc2c(cc1CNC(C)(C)C)OCO2	ZINC000062733896	518318903	/nfs/dbraw/zinc/31/89/03/518318903.db2.gz	GMKIKZZKOQQIMX-UHFFFAOYSA-N	0	3	261.321	2.315	10	30		CEEEHN
C=CCNC(=O)[C@H](C)NCC[C@@H](C)c1ccccc1	ZINC000060394150	518923268	/nfs/dbraw/zinc/92/32/68/518923268.db2.gz	YCNTZIJNEGMICM-KGLIPLIRSA-N	0	3	260.381	2.461	10	30		CEEEHN
C=C[C@H](C)Oc1cc(CNCCOC)ccc1OC	ZINC000062732642	519300238	/nfs/dbraw/zinc/30/02/38/519300238.db2.gz	CHDATXWMHOIHOK-LBPRGKRZSA-N	0	3	265.353	2.385	10	30		CEEEHN
CC(C)CC(=O)N(C)Cc1ccccc1C#CCN	ZINC000049586832	519574005	/nfs/dbraw/zinc/57/40/05/519574005.db2.gz	QQOMVSYUFXSDTM-UHFFFAOYSA-N	0	3	258.365	2.001	10	30		CEEEHN
CCCNCc1nccn1Cc1ccc(C#N)cc1	ZINC000051005094	519967922	/nfs/dbraw/zinc/96/79/22/519967922.db2.gz	LRNYXFOYZHJKCC-UHFFFAOYSA-N	0	3	254.337	2.303	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613175	520103329	/nfs/dbraw/zinc/10/33/29/520103329.db2.gz	HIYBRZDEMFDZRU-WBVHZDCISA-N	0	3	294.487	2.463	10	30		CEEEHN
CCCCN(CCO)Cc1ccc(F)c(C#CCCO)c1	ZINC000049614036	520523054	/nfs/dbraw/zinc/52/30/54/520523054.db2.gz	UOIMOCAZEORSPG-UHFFFAOYSA-N	0	3	293.382	2.154	10	30		CEEEHN
CC1CCN(CCOc2ccc(C#CCO)cc2)CC1	ZINC000049615534	521017704	/nfs/dbraw/zinc/01/77/04/521017704.db2.gz	ONVUTEMDLLHCBC-UHFFFAOYSA-N	0	3	273.376	2.141	10	30		CEEEHN
CC1CCN(Cc2ccc(C#CCO)cc2F)CC1	ZINC000049615545	521023746	/nfs/dbraw/zinc/02/37/46/521023746.db2.gz	RGCUIAGNDPOASU-UHFFFAOYSA-N	0	3	261.340	2.401	10	30		CEEEHN
CC[C@@H](C)N1CCN(CCCC[C@](C)(C#N)NC)CC1	ZINC000055070188	522119714	/nfs/dbraw/zinc/11/97/14/522119714.db2.gz	FVTOQDVNMXNQMQ-HZPDHXFCSA-N	0	3	280.460	2.074	10	30		CEEEHN
CC[C@@H](C)N1CCN(C[C@](C#N)(NC(C)C)C2CC2)CC1	ZINC000069082463	522123201	/nfs/dbraw/zinc/12/32/01/522123201.db2.gz	UGMIPXHNQFDNOG-WBVHZDCISA-N	0	3	292.471	2.073	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCN)c1)C[C@@H]1CCCCO1	ZINC000049609534	523238538	/nfs/dbraw/zinc/23/85/38/523238538.db2.gz	CUAABPJCAASFHL-INIZCTEOSA-N	0	3	290.382	2.137	10	30		CEEEHN
CN(Cc1ccccn1)Cc1ccc(F)cc1C#CCN	ZINC000049609245	523397526	/nfs/dbraw/zinc/39/75/26/523397526.db2.gz	VOSYYNSDRMYUQL-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN(C)C1CCCC1	ZINC000049617542	523517698	/nfs/dbraw/zinc/51/76/98/523517698.db2.gz	FSYPOVALPGIIKK-UHFFFAOYSA-N	0	3	273.376	2.413	10	30		CEEEHN
CC[C@H](C)N1CCN(CC[C@](C)(C#N)NC(C)C)CC1	ZINC000055070001	523954743	/nfs/dbraw/zinc/95/47/43/523954743.db2.gz	XQGUVBNWBRQTGK-JKSUJKDBSA-N	0	3	280.460	2.073	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)cc2F)[C@@H]1C	ZINC000050568536	524209498	/nfs/dbraw/zinc/20/94/98/524209498.db2.gz	XCMGYNHWYUXWQT-CHWSQXEVSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@H](NC(=O)Cc1ccsc1)c1ccc(C#CCN)cc1	ZINC000049586686	524993279	/nfs/dbraw/zinc/99/32/79/524993279.db2.gz	NNFBHTFIGRJSJQ-ZDUSSCGKSA-N	0	3	298.411	2.478	10	30		CEEEHN
Cc1cnc(SCc2ccccc2C#CCN)nc1	ZINC000049612950	526102048	/nfs/dbraw/zinc/10/20/48/526102048.db2.gz	YJECPXQCGZBSBO-UHFFFAOYSA-N	0	3	269.373	2.388	10	30		CEEEHN
N/N=C(/NC1CCCCC1)c1ccc2c(c1)CCO2	ZINC000050892686	526816933	/nfs/dbraw/zinc/81/69/33/526816933.db2.gz	VNWOWWWFUZYNRK-UHFFFAOYSA-N	0	3	259.353	2.164	10	30		CEEEHN
NCC#Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1	ZINC000049549301	527148597	/nfs/dbraw/zinc/14/85/97/527148597.db2.gz	WGULJHKAIWAZNE-UHFFFAOYSA-N	0	3	297.383	2.194	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)c2ccccc2F)c1	ZINC000049586512	527152821	/nfs/dbraw/zinc/15/28/21/527152821.db2.gz	DXYVUCHMQQXZNB-UHFFFAOYSA-N	0	3	282.318	2.066	10	30		CEEEHN
NCC#Cc1cccc(CSc2ncccn2)c1	ZINC000049611451	527153489	/nfs/dbraw/zinc/15/34/89/527153489.db2.gz	ZWXWGFYHLYKKRW-UHFFFAOYSA-N	0	3	255.346	2.079	10	30		CEEEHN
NCC#Cc1ccccc1NC(=O)CC[C@@H]1CCCCO1	ZINC000069399439	527155480	/nfs/dbraw/zinc/15/54/80/527155480.db2.gz	QGWHAXFBJQUYFV-HNNXBMFYSA-N	0	3	286.375	2.285	10	30		CEEEHN
C#CCOC[C@H](O)CN(Cc1ccsc1)CC(C)C	ZINC000036099233	361828446	/nfs/dbraw/zinc/82/84/46/361828446.db2.gz	MIZXMZKLCZHHOM-OAHLLOKOSA-N	0	3	281.421	2.217	10	30		CEEEHN
C[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(C#N)s1	ZINC000126700602	187256506	/nfs/dbraw/zinc/25/65/06/187256506.db2.gz	JMYOTCUNXMMWFA-NWDGAFQWSA-N	0	3	261.394	2.288	10	30		CEEEHN
COc1ccc2c(c1)CCCN2CC#CCN(C)C	ZINC000584624532	344967825	/nfs/dbraw/zinc/96/78/25/344967825.db2.gz	RMSPJGYEYDBHDA-UHFFFAOYSA-N	0	3	258.365	2.013	10	30		CEEEHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc(F)ccc1F	ZINC000591595240	345268339	/nfs/dbraw/zinc/26/83/39/345268339.db2.gz	VYDIVVDSKSUHBN-ZANVPECISA-N	0	3	281.306	2.163	10	30		CEEEHN
C=CCCSCCNCc1c(C)nn(C)c1OC	ZINC000594959996	345717349	/nfs/dbraw/zinc/71/73/49/345717349.db2.gz	HQUQHQJJFFPZSN-UHFFFAOYSA-N	0	3	269.414	2.136	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CCN)cc1F	ZINC000086081155	179227514	/nfs/dbraw/zinc/22/75/14/179227514.db2.gz	UDROPVXCXLCAJU-OZVIIMIRSA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CCN)cc1	ZINC000086081167	179227764	/nfs/dbraw/zinc/22/77/64/179227764.db2.gz	UOTHYVLJBKRWEI-ZENOOKHLSA-N	0	3	270.376	2.161	10	30		CEEEHN
Cn1cc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)cn1	ZINC000128506408	187375350	/nfs/dbraw/zinc/37/53/50/187375350.db2.gz	BYUFCRVERFGERX-LLVKDONJSA-N	0	3	272.377	2.343	10	30		CEEEHN
Cc1nc(N2C[C@@H]3CCCCN3C[C@H]2C)ccc1C#N	ZINC000336836467	365905847	/nfs/dbraw/zinc/90/58/47/365905847.db2.gz	KVRJHRNSJPERIC-DOMZBBRYSA-N	0	3	270.380	2.325	10	30		CEEEHN
Cc1cc(C#CCN)ccc1NC(=O)c1ccncc1F	ZINC000086316935	179269881	/nfs/dbraw/zinc/26/98/81/179269881.db2.gz	YADOPPSPFLVQMY-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1CCCO	ZINC000130454941	365958340	/nfs/dbraw/zinc/95/83/40/365958340.db2.gz	RDDKXLANRZAJET-OAHLLOKOSA-N	0	3	274.364	2.304	10	30		CEEEHN
COCCNCc1cn(CCCCC#N)c2ncccc12	ZINC000091021216	180088834	/nfs/dbraw/zinc/08/88/34/180088834.db2.gz	DLQCCFQWXOMMQE-UHFFFAOYSA-N	0	3	286.379	2.466	10	30		CEEEHN
CC[C@H](NC(=O)c1ccncc1C#CCN)c1cccs1	ZINC000091462332	180162001	/nfs/dbraw/zinc/16/20/01/180162001.db2.gz	XIQYXFIYOBVHKC-AWEZNQCLSA-N	0	3	299.399	2.334	10	30		CEEEHN
CN(C)[C@H]1CCCN(C(=O)C2(C#N)CCCCCC2)C1	ZINC000091393201	180145519	/nfs/dbraw/zinc/14/55/19/180145519.db2.gz	NFLRMLZNSRXPDA-AWEZNQCLSA-N	0	3	277.412	2.403	10	30		CEEEHN
Cc1cc(F)cc(NC(=O)c2cncc(C#CCN)c2)c1	ZINC000091517626	180177746	/nfs/dbraw/zinc/17/77/46/180177746.db2.gz	IXNOVVCSGPXIOU-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C=CCCC[C@H](O)C1(N2CCOCC2)CCCC1	ZINC000091642794	180214355	/nfs/dbraw/zinc/21/43/55/180214355.db2.gz	JALAZMKDDNHYMC-AWEZNQCLSA-N	0	3	253.386	2.349	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)Cc1cccc(Cl)c1	ZINC000092473974	180393692	/nfs/dbraw/zinc/39/36/92/180393692.db2.gz	QJBGULJMQCBVGR-LLVKDONJSA-N	0	3	266.772	2.163	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000180677429	189269504	/nfs/dbraw/zinc/26/95/04/189269504.db2.gz	AJAYHIBSSXYSML-KBPBESRZSA-N	0	3	298.390	2.214	10	30		CEEEHN
N#Cc1cccc(OCCN2CCN3CCCC[C@@H]3C2)c1	ZINC000090824802	364066719	/nfs/dbraw/zinc/06/67/19/364066719.db2.gz	JAXAJNXWEIFULM-MRXNPFEDSA-N	0	3	285.391	2.107	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)c1nc(C)ccc1C#N	ZINC000092631251	364090373	/nfs/dbraw/zinc/09/03/73/364090373.db2.gz	ZIBSMDRUKJCFKZ-AWEZNQCLSA-N	0	3	258.369	2.182	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(C#N)CCCCC2)C1	ZINC000158929850	366861361	/nfs/dbraw/zinc/86/13/61/366861361.db2.gz	JWIUTXPBDACYQS-KGLIPLIRSA-N	0	3	277.412	2.305	10	30		CEEEHN
COc1cc(C#N)ccc1CN1CC[C@@H](c2cnn(C)c2)C1	ZINC000120989268	365507426	/nfs/dbraw/zinc/50/74/26/365507426.db2.gz	LJDBWESIGCUPOT-CQSZACIVSA-N	0	3	296.374	2.290	10	30		CEEEHN
C[C@H]1CN2CCC[C@H]2CN1c1ncc(C#N)cc1Cl	ZINC000246790179	371009968	/nfs/dbraw/zinc/00/99/68/371009968.db2.gz	RHCPLYPACIMUIS-JQWIXIFHSA-N	0	3	276.771	2.280	10	30		CEEEHN
N#Cc1ccc(COc2ccc(CN)nc2)c(F)c1	ZINC000094208165	184762739	/nfs/dbraw/zinc/76/27/39/184762739.db2.gz	VIVGDCHNMBECFY-UHFFFAOYSA-N	0	3	257.268	2.130	10	30		CEEEHN
C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)N1	ZINC000094336447	135086511	/nfs/dbraw/zinc/08/65/11/135086511.db2.gz	KZLWRAFEWYUUDS-RKDXNWHRSA-N	0	3	284.285	2.159	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1	ZINC000048769988	394528307	/nfs/dbraw/zinc/52/83/07/394528307.db2.gz	JQLDVNBDEVPJOX-CQSZACIVSA-N	0	3	272.352	2.164	10	30		CEEEHN
C=CCC[C@H](O)CN(C)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104984840	400261791	/nfs/dbraw/zinc/26/17/91/400261791.db2.gz	ASDYXGPDSLHJGF-JKSUJKDBSA-N	0	3	288.391	2.439	10	30		CEEEHN
Cc1ccsc1C(=O)Nc1ncc(C#CCN)s1	ZINC000037550754	173268890	/nfs/dbraw/zinc/26/88/90/173268890.db2.gz	NFEIZZYIENSKCM-UHFFFAOYSA-N	0	3	277.374	2.076	10	30		CEEEHN
COCCN(Cc1sccc1C#CCO)[C@@H](C)C1CC1	ZINC000043682050	175091059	/nfs/dbraw/zinc/09/10/59/175091059.db2.gz	SSJOFBNKOGEMIR-ZDUSSCGKSA-N	0	3	293.432	2.339	10	30		CEEEHN
CC(C)N(CCC#N)Cc1cc(C#CCN)cs1	ZINC000043689098	175095990	/nfs/dbraw/zinc/09/59/90/175095990.db2.gz	HNDYRRHOHVHEPU-UHFFFAOYSA-N	0	3	261.394	2.182	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)Cc1ccncc1	ZINC000043688930	175096078	/nfs/dbraw/zinc/09/60/78/175096078.db2.gz	ONRANGIFHAZZIE-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
CN1CC[C@@H](Nc2c(C#N)cnc3ccccc32)C1	ZINC000044386116	175170007	/nfs/dbraw/zinc/17/00/07/175170007.db2.gz	XORBVJGUDFIZHP-GFCCVEGCSA-N	0	3	252.321	2.222	10	30		CEEEHN
C=C(Br)CNCCCCn1ccnc1	ZINC000045107128	175308195	/nfs/dbraw/zinc/30/81/95/175308195.db2.gz	HQDQDORRCWECDF-UHFFFAOYSA-N	0	3	258.163	2.162	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCN1CCN(C(C)(C)C)CC1	ZINC000045182851	175325770	/nfs/dbraw/zinc/32/57/70/175325770.db2.gz	GZPNHBBUBCCOJF-INIZCTEOSA-N	0	3	280.460	2.073	10	30		CEEEHN
COCCN(CCC#N)[C@@H](CN)c1ccc(Cl)cc1	ZINC000071222457	176088102	/nfs/dbraw/zinc/08/81/02/176088102.db2.gz	BHTBYZIGOWIDEP-AWEZNQCLSA-N	0	3	281.787	2.202	10	30		CEEEHN
C=CCCOc1ccc(CNCCOC)cc1[N+](=O)[O-]	ZINC000071274904	176106141	/nfs/dbraw/zinc/10/61/41/176106141.db2.gz	LSHZMQCARMCEPF-UHFFFAOYSA-N	0	3	280.324	2.286	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)NC(C)(C)CC(C)(C)C	ZINC000071541990	176196119	/nfs/dbraw/zinc/19/61/19/176196119.db2.gz	NRNNSAMJDMFBOX-LLVKDONJSA-N	0	3	289.441	2.307	10	30		CEEEHN
CN(C[C@H]1CCN(C)C1)c1nc(C(F)(F)F)ccc1C#N	ZINC000078835847	177395940	/nfs/dbraw/zinc/39/59/40/177395940.db2.gz	COCWYSLFVLRWEP-JTQLQIEISA-N	0	3	298.312	2.360	10	30		CEEEHN
Cc1c(CNC[C@H]2Cc3ccccc3O2)cc(C#N)n1C	ZINC000078877653	177399776	/nfs/dbraw/zinc/39/97/76/177399776.db2.gz	WZRICPQIQBZPKM-MRXNPFEDSA-N	0	3	281.359	2.299	10	30		CEEEHN
CC[C@@H](C#N)NC(=O)[C@@H]1CCCCN1C1CCCC1	ZINC000370059470	267286950	/nfs/dbraw/zinc/28/69/50/267286950.db2.gz	IOYRIRNNBOSGMJ-JSGCOSHPSA-N	0	3	263.385	2.202	10	30		CEEEHN
C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H](C)CN1	ZINC000086471052	274361177	/nfs/dbraw/zinc/36/11/77/274361177.db2.gz	MYVUAOFYEAIUDG-VXGBXAGGSA-N	0	3	266.348	2.293	10	30		CEEEHN
C[C@H](C#N)CN[C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400464389	329708371	/nfs/dbraw/zinc/70/83/71/329708371.db2.gz	VQEMPZVOZPOCPL-FRRDWIJNSA-N	0	3	281.400	2.381	10	30		CEEEHN
CCc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424068359	330219493	/nfs/dbraw/zinc/21/94/93/330219493.db2.gz	RPFIYEAPCPAFBG-IUODEOHRSA-N	0	3	273.380	2.447	10	30		CEEEHN
CC(C)CN(CCN(C)C)C[C@](C#N)(NC(C)C)C1CC1	ZINC000069079215	519716350	/nfs/dbraw/zinc/71/63/50/519716350.db2.gz	SPXUTEGPKCECTM-KRWDZBQOSA-N	0	3	294.487	2.176	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N1CCN(C)C(C)(C)C1	ZINC000068616434	520033491	/nfs/dbraw/zinc/03/34/91/520033491.db2.gz	RKHMRZXMFOYYAC-GOEBONIOSA-N	0	3	280.460	2.073	10	30		CEEEHN
COCCSCc1ccc(C#CCN)cc1F	ZINC000049611511	521779148	/nfs/dbraw/zinc/77/91/48/521779148.db2.gz	NBWQBXMURKKVOJ-UHFFFAOYSA-N	0	3	253.342	2.016	10	30		CEEEHN
CCCCOCCOCc1cc(C#CCN)ccc1OC	ZINC000049610897	520791338	/nfs/dbraw/zinc/79/13/38/520791338.db2.gz	PKKIPZZEVBVSJH-UHFFFAOYSA-N	0	3	291.391	2.339	10	30		CEEEHN
CC[C@H](C)[C@@H](C)NC(=O)c1ccccc1C#CCN	ZINC000049105783	521816289	/nfs/dbraw/zinc/81/62/89/521816289.db2.gz	ODKNKVDIZUZKGN-QWHCGFSZSA-N	0	3	258.365	2.161	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCO)c1)[C@H]1CCSC1	ZINC000049617841	523238100	/nfs/dbraw/zinc/23/81/00/523238100.db2.gz	AKUHVDAWEGZUSV-AWEZNQCLSA-N	0	3	279.380	2.107	10	30		CEEEHN
CC[C@H]1CO[C@@H](C)CN1Cc1ccc(F)c(C#CCN)c1	ZINC000049609853	523342291	/nfs/dbraw/zinc/34/22/91/523342291.db2.gz	FDIGPPOLTGVVHK-BBRMVZONSA-N	0	3	290.382	2.135	10	30		CEEEHN
COCCNCc1cc(Br)ccc1OCC#N	ZINC000062730138	523948993	/nfs/dbraw/zinc/94/89/93/523948993.db2.gz	RYGGROBBCVAOIN-UHFFFAOYSA-N	0	3	299.168	2.087	10	30		CEEEHN
COc1ccc(CN2CCCC[C@@H]2C)cc1C#CCO	ZINC000049615731	524026421	/nfs/dbraw/zinc/02/64/21/524026421.db2.gz	RZHBAODKPVWIGG-AWEZNQCLSA-N	0	3	273.376	2.413	10	30		CEEEHN
COc1ccc(CN2CCC[C@H](C)C2)cc1C#CCO	ZINC000049616062	524029688	/nfs/dbraw/zinc/02/96/88/524029688.db2.gz	QGGHHWIAZAMYGF-AWEZNQCLSA-N	0	3	273.376	2.271	10	30		CEEEHN
Cc1cc(C(=O)NCc2ccc(C#CCN)cc2)c(C)o1	ZINC000049586318	524103649	/nfs/dbraw/zinc/10/36/49/524103649.db2.gz	SFDCNZSYDASYOP-UHFFFAOYSA-N	0	3	282.343	2.137	10	30		CEEEHN
C[C@H]1CCN(Cc2ccc(C#CCCO)cc2F)C1	ZINC000049613598	524295989	/nfs/dbraw/zinc/29/59/89/524295989.db2.gz	UKTUWOQZOWCBEP-ZDUSSCGKSA-N	0	3	261.340	2.401	10	30		CEEEHN
C[C@@H](CN1CCCC1)NCc1cc(C#N)ccc1F	ZINC000049180282	524592842	/nfs/dbraw/zinc/59/28/42/524592842.db2.gz	WBCZNZGXVDFUPH-LBPRGKRZSA-N	0	3	261.344	2.271	10	30		CEEEHN
C[C@H](Cc1ccsc1)NC(=O)c1ccccc1C#CCN	ZINC000049189266	524762204	/nfs/dbraw/zinc/76/22/04/524762204.db2.gz	HKDUMHKTIMNJSN-CYBMUJFWSA-N	0	3	298.411	2.419	10	30		CEEEHN
Cc1cc(SCc2ccc(C#CCN)cc2)n(C)n1	ZINC000052311586	525437777	/nfs/dbraw/zinc/43/77/77/525437777.db2.gz	LBRUZGCXUYKDFI-UHFFFAOYSA-N	0	3	271.389	2.331	10	30		CEEEHN
N#Cc1ccccc1OCc1cccc(C#CCN)c1	ZINC000049610826	526747059	/nfs/dbraw/zinc/74/70/59/526747059.db2.gz	FVOCCLOPQIUDKJ-UHFFFAOYSA-N	0	3	262.312	2.447	10	30		CEEEHN
Cc1oncc1C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061692008	526859583	/nfs/dbraw/zinc/85/95/83/526859583.db2.gz	SSAWBMMQWRDUTK-UHFFFAOYSA-N	0	3	289.722	2.199	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)NC2CCCCC2)c1	ZINC000049587506	527152561	/nfs/dbraw/zinc/15/25/61/527152561.db2.gz	UWIAMPRZDSKJKL-UHFFFAOYSA-N	0	3	285.391	2.129	10	30		CEEEHN
CN(C)C[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1	ZINC000175952189	623372098	/nfs/dbraw/zinc/37/20/98/623372098.db2.gz	JKTUDFGJZAZBOU-SFHVURJKSA-N	0	3	292.382	2.457	10	30		CEEEHN
C=CCC[C@@H](O)CN(C)C[C@H]1CC(c2ccccc2)=NO1	ZINC000036147304	361831390	/nfs/dbraw/zinc/83/13/90/361831390.db2.gz	ASDYXGPDSLHJGF-HZPDHXFCSA-N	0	3	288.391	2.439	10	30		CEEEHN
Cc1sc(NN=Cc2ccc(F)cc2)nc1O	ZINC000036643821	361849812	/nfs/dbraw/zinc/84/98/12/361849812.db2.gz	KEFSHALWOLXMSC-AWNIVKPZSA-N	0	3	251.286	2.164	10	30		CEEEHN
C#CCN(CCC)[C@H]1COc2c(cccc2OC)C1	ZINC000038600304	343434216	/nfs/dbraw/zinc/43/42/16/343434216.db2.gz	JHYWERUDKHLBRS-CQSZACIVSA-N	0	3	259.349	2.344	10	30		CEEEHN
C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccnc(C#N)c1	ZINC000251755342	344637503	/nfs/dbraw/zinc/63/75/03/344637503.db2.gz	LMXYIOCQBKUJEI-CJNGLKHVSA-N	0	3	270.380	2.012	10	30		CEEEHN
Cc1ccncc1NC(=O)NC[C@@H]1CCc2nccn2C1	ZINC000328628945	344756100	/nfs/dbraw/zinc/75/61/00/344756100.db2.gz	OFRXKLMXIJJYRY-LBPRGKRZSA-N	0	3	285.351	2.175	10	30		CEEEHN
COc1cccc2c1N(CC#CCN(C)C)CCC2	ZINC000584624513	344967834	/nfs/dbraw/zinc/96/78/34/344967834.db2.gz	QXFAAUACUJRUGU-UHFFFAOYSA-N	0	3	258.365	2.013	10	30		CEEEHN
CCCOCC#CCNCCOc1ccccc1OC	ZINC000584624550	344968427	/nfs/dbraw/zinc/96/84/27/344968427.db2.gz	UJKBNKOUVZAXLG-UHFFFAOYSA-N	0	3	277.364	2.094	10	30		CEEEHN
C[NH2+]CCC/N=C/c1cc(Br)ccc1[O-]	ZINC000584635531	344970609	/nfs/dbraw/zinc/97/06/09/344970609.db2.gz	VAZRAFNBZZAAQA-RIYZIHGNSA-N	0	3	271.158	2.183	10	30		CEEEHN
COC[C@H](C)N(C)[C@@H](C)C[C@@](C)(C#N)NC(C)C	ZINC000084293301	178844940	/nfs/dbraw/zinc/84/49/40/178844940.db2.gz	NSKZVBFUMHXWRP-IHRRRGAJSA-N	0	3	255.406	2.012	10	30		CEEEHN
C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccs1	ZINC000594426972	345626443	/nfs/dbraw/zinc/62/64/43/345626443.db2.gz	UDZADFUZMBVFKW-GHMZBOCLSA-N	0	3	265.382	2.337	10	30		CEEEHN
C#CCOc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1	ZINC000128472781	187371871	/nfs/dbraw/zinc/37/18/71/187371871.db2.gz	BSKBLSKKVIPENQ-MRXNPFEDSA-N	0	3	295.386	2.422	10	30		CEEEHN
N#CC1(c2ccccc2)CC(N[C@@H]2CCN(C3CC3)C2)C1	ZINC000086037743	179221592	/nfs/dbraw/zinc/22/15/92/179221592.db2.gz	FDBJHQDWMHQOSP-KLHKWILBSA-N	0	3	281.403	2.437	10	30		CEEEHN
CN1CCC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1	ZINC000086037432	179221743	/nfs/dbraw/zinc/22/17/43/179221743.db2.gz	QQYPPRVFXYYEHW-KLAILNCOSA-N	0	3	269.392	2.294	10	30		CEEEHN
CC[C@@H]1CN(C(=O)c2cccc(C#N)c2)[C@H](CC)CN1	ZINC000086446691	179294949	/nfs/dbraw/zinc/29/49/49/179294949.db2.gz	UKAIUXQPWIMYTO-HUUCEWRRSA-N	0	3	271.364	2.161	10	30		CEEEHN
C#CCCNCc1cc2c(cc1SC)OCCO2	ZINC000086506851	179302784	/nfs/dbraw/zinc/30/27/84/179302784.db2.gz	GHWSOZXLFFTICX-UHFFFAOYSA-N	0	3	263.362	2.293	10	30		CEEEHN
N#Cc1ccc(CNC[C@H]2CCCC[C@H]2O)cc1F	ZINC000404150980	233192542	/nfs/dbraw/zinc/19/25/42/233192542.db2.gz	MCRPKQSZSUSBPB-UKRRQHHQSA-N	0	3	262.328	2.338	10	30		CEEEHN
N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1F	ZINC000404162553	233193316	/nfs/dbraw/zinc/19/33/16/233193316.db2.gz	QUHUJZAZRAXGBV-RRFJBIMHSA-N	0	3	274.339	2.290	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@]1(C)COC[C@@H]1N	ZINC000090589685	180009984	/nfs/dbraw/zinc/00/99/84/180009984.db2.gz	AEMNADLUUQSHEZ-DZGCQCFKSA-N	0	3	292.404	2.267	10	30		CEEEHN
C[C@@H](OCCOc1ccc(C#CCN)cc1)C(F)(F)F	ZINC000090673661	180021869	/nfs/dbraw/zinc/02/18/69/180021869.db2.gz	WVGNENDYZGBAQQ-LLVKDONJSA-N	0	3	287.281	2.343	10	30		CEEEHN
Cc1ccc(NC(=O)c2ccncc2C#CCN)cc1F	ZINC000091461066	180161235	/nfs/dbraw/zinc/16/12/35/180161235.db2.gz	LPMQZFVHXFOLRQ-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
Cc1cc(F)ccc1NC(=O)c1ccncc1C#CCN	ZINC000091461099	180161834	/nfs/dbraw/zinc/16/18/34/180161834.db2.gz	FMCBQLAPKGHXPE-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCN(CC)C(=O)Nc1ccc(C)cc1C#CCN	ZINC000091962365	180293178	/nfs/dbraw/zinc/29/31/78/180293178.db2.gz	XOPVSCKFEKAFNV-UHFFFAOYSA-N	0	3	259.353	2.179	10	30		CEEEHN
C=CCNCC(=O)N1CCc2sccc2[C@@H]1CC	ZINC000106035684	186099440	/nfs/dbraw/zinc/09/94/40/186099440.db2.gz	JQRXYZVTTKBAAS-LBPRGKRZSA-N	0	3	264.394	2.360	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1	ZINC000092473818	180392983	/nfs/dbraw/zinc/39/29/83/180392983.db2.gz	TUFLXBIYEAJHFK-JTQLQIEISA-N	0	3	284.306	2.241	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)Cc1cccc(Cl)c1	ZINC000092473972	180393798	/nfs/dbraw/zinc/39/37/98/180393798.db2.gz	QJBGULJMQCBVGR-NSHDSACASA-N	0	3	266.772	2.163	10	30		CEEEHN
C=CCC[C@H](CN(C)C)Oc1cc(C(=O)NCC)ccn1	ZINC000072475848	363137611	/nfs/dbraw/zinc/13/76/11/363137611.db2.gz	GRRLKINVGWGZJX-CQSZACIVSA-N	0	3	291.395	2.107	10	30		CEEEHN
CC1(C)CN(Cc2cc(C#CCN)cs2)CC(C)(C)O1	ZINC000226438933	540164769	/nfs/dbraw/zinc/16/47/69/540164769.db2.gz	QHLTXIISBYAHSB-UHFFFAOYSA-N	0	3	292.448	2.448	10	30		CEEEHN
Cn1cc([C@H]2CCN(CCOc3ccc(C#N)cc3)C2)cn1	ZINC000116318740	365051231	/nfs/dbraw/zinc/05/12/31/365051231.db2.gz	WTVWLDRMYQXYRS-HNNXBMFYSA-N	0	3	296.374	2.160	10	30		CEEEHN
Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N(C)C)C1	ZINC000171082822	367474603	/nfs/dbraw/zinc/47/46/03/367474603.db2.gz	KWPAALRCSDHGEV-ZDUSSCGKSA-N	0	3	272.352	2.035	10	30		CEEEHN
Cc1cccc(NC[C@@H]2CCN(CCCC#N)C2)n1	ZINC000195516185	370135413	/nfs/dbraw/zinc/13/54/13/370135413.db2.gz	RPHVVUJCMUXBLR-AWEZNQCLSA-N	0	3	258.369	2.428	10	30		CEEEHN
C=CCCCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000247269164	371086527	/nfs/dbraw/zinc/08/65/27/371086527.db2.gz	JVHYEUDTBUAPAY-UONOGXRCSA-N	0	3	267.417	2.323	10	30		CEEEHN
N#Cc1cccnc1NC[C@@H]1NCCc2ccccc21	ZINC000261816193	371741096	/nfs/dbraw/zinc/74/10/96/371741096.db2.gz	SUXIDKIWVRGCAP-HNNXBMFYSA-N	0	3	264.332	2.252	10	30		CEEEHN
C=CCOc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1	ZINC000392939810	375324390	/nfs/dbraw/zinc/32/43/90/375324390.db2.gz	OLPCKOOWTQYRTN-WFASDCNBSA-N	0	3	274.364	2.008	10	30		CEEEHN
CN[C@@]1(C#N)CCC[C@H](N2Cc3ccccc3C2)C1	ZINC000093743585	184710952	/nfs/dbraw/zinc/71/09/52/184710952.db2.gz	OHFKRNBQGCJCJC-HOTGVXAUSA-N	0	3	255.365	2.427	10	30		CEEEHN
CCC[C@H](C#N)N1CCN([C@@H]2CCOC3(CCC3)C2)CC1	ZINC000094375599	184791116	/nfs/dbraw/zinc/79/11/16/184791116.db2.gz	ZHMZWKINDXAHOL-HZPDHXFCSA-N	0	3	291.439	2.398	10	30		CEEEHN
CCCOc1ccc(Br)cc1C=NNC(=N)N	ZINC000007929877	170308195	/nfs/dbraw/zinc/30/81/95/170308195.db2.gz	KNPHUOOHZGSQRZ-VIZOYTHASA-N	0	3	299.172	2.055	10	30		CEEEHN
C=CCOc1ccc(CNCCC(=O)N2CCCC2)cc1	ZINC000020127386	171012991	/nfs/dbraw/zinc/01/29/91/171012991.db2.gz	CLDMDQBXONWPGD-UHFFFAOYSA-N	0	3	288.391	2.354	10	30		CEEEHN
CC[C@@H](C)CN(C)C(=O)c1ccc(C#CCN)cc1	ZINC000037571207	173521350	/nfs/dbraw/zinc/52/13/50/173521350.db2.gz	AVKACQVDNOTSSW-CYBMUJFWSA-N	0	3	258.365	2.115	10	30		CEEEHN
CC(C)N(CC/C(N)=N/O)Cc1cccc(F)c1	ZINC000044414959	175173110	/nfs/dbraw/zinc/17/31/10/175173110.db2.gz	KSOBVOPMPSYEAP-UHFFFAOYSA-N	0	3	253.321	2.173	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCCN1CCN(CCC)CC1	ZINC000045306466	175355719	/nfs/dbraw/zinc/35/57/19/175355719.db2.gz	MRIZNAFTFGTWLO-KRWDZBQOSA-N	0	3	294.487	2.466	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCCN1CCN(C(C)C)CC1	ZINC000045311485	175356780	/nfs/dbraw/zinc/35/67/80/175356780.db2.gz	SCPIQNBUVCPIFY-MRXNPFEDSA-N	0	3	280.460	2.073	10	30		CEEEHN
CC(C)N[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O	ZINC000071039534	176027122	/nfs/dbraw/zinc/02/71/22/176027122.db2.gz	BUKVJLUHYSPKOB-CYBMUJFWSA-N	0	3	277.755	2.315	10	30		CEEEHN
C[C@H](C1CC1)N(C)Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266840	176100641	/nfs/dbraw/zinc/10/06/41/176100641.db2.gz	AZJATVDHOYKOJY-SECBINFHSA-N	0	3	265.332	2.151	10	30		CEEEHN
C[C@H](Cc1cccs1)NC(=O)c1ccccc1C#CCN	ZINC000071273679	176105516	/nfs/dbraw/zinc/10/55/16/176105516.db2.gz	GCJQYCNKJQEVLG-CYBMUJFWSA-N	0	3	298.411	2.419	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)c2ccc(F)cc2)c1	ZINC000071322326	176123082	/nfs/dbraw/zinc/12/30/82/176123082.db2.gz	KFOXTDXDRDHCSF-UHFFFAOYSA-N	0	3	288.347	2.127	10	30		CEEEHN
C[C@@H](c1cccc(C#N)c1)N1CC[C@H](N2CCOCC2)C1	ZINC000186106320	270248664	/nfs/dbraw/zinc/24/86/64/270248664.db2.gz	NSCXDQGMFFIQCP-YOEHRIQHSA-N	0	3	285.391	2.026	10	30		CEEEHN
C=CCOc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1	ZINC000195329095	331170845	/nfs/dbraw/zinc/17/08/45/331170845.db2.gz	MPUYCYMCZWLXTO-HNNXBMFYSA-N	0	3	286.375	2.172	10	30		CEEEHN
C=CCCCCCN1CCN(CCOC)[C@@H](C)C1	ZINC000193336315	333248334	/nfs/dbraw/zinc/24/83/34/333248334.db2.gz	BYTQBMSXQZKJLP-HNNXBMFYSA-N	0	3	254.418	2.385	10	30		CEEEHN
CCCN[C@H](C#N)CCN(CCOC)[C@@H](C)C1CC1	ZINC000062437289	520059661	/nfs/dbraw/zinc/05/96/61/520059661.db2.gz	RBETXALIEZPJNT-ZFWWWQNUSA-N	0	3	267.417	2.015	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1cc(F)ccc1C#CCN	ZINC000049105821	522358303	/nfs/dbraw/zinc/35/83/03/522358303.db2.gz	INEYBSSHSHRKFS-NEPJUHHUSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC(C)c1ccc(C(C#N)C(=O)[C@H]2COCCO2)cc1	ZINC000055302107	519839698	/nfs/dbraw/zinc/83/96/98/519839698.db2.gz	ILYBYPAQTRZGDV-LSDHHAIUSA-N	0	3	273.332	2.402	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN1CCN([C@@H](C)CC)CC1	ZINC000055069984	520031432	/nfs/dbraw/zinc/03/14/32/520031432.db2.gz	UXMHLNZMCGFMGU-JKSUJKDBSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCO[C@@H]1CCCN(CC[C@@H](C#N)NC(C)C)C1	ZINC000062437892	520270410	/nfs/dbraw/zinc/27/04/10/520270410.db2.gz	GFHXPYGEENLAPK-LSDHHAIUSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCN(Cc1ccncc1)Cc1cccc(C#CCO)c1	ZINC000049614041	521421800	/nfs/dbraw/zinc/42/18/00/521421800.db2.gz	ZDNPDZJICFUXPB-UHFFFAOYSA-N	0	3	280.371	2.448	10	30		CEEEHN
CCN(Cc1ccncc1)Cc1cccc(C#CCN)c1	ZINC000049609654	521422715	/nfs/dbraw/zinc/42/27/15/521422715.db2.gz	MBUFDAKMTPGSCN-UHFFFAOYSA-N	0	3	279.387	2.414	10	30		CEEEHN
CN[C@@H](C#N)CCN1CCC(Cc2ccccc2)CC1	ZINC000062369527	522317889	/nfs/dbraw/zinc/31/78/89/522317889.db2.gz	WRNPFKGIPLCWMB-QGZVFWFLSA-N	0	3	271.408	2.443	10	30		CEEEHN
CC[C@H](NC(=O)c1ccc(C#CCN)cc1F)C(C)C	ZINC000049148557	522529772	/nfs/dbraw/zinc/52/97/72/522529772.db2.gz	VTNDHTHRJQNEPE-HNNXBMFYSA-N	0	3	276.355	2.300	10	30		CEEEHN
CN(Cc1ccoc1)Cc1ccc(F)cc1C#CCN	ZINC000049609740	523476229	/nfs/dbraw/zinc/47/62/29/523476229.db2.gz	KRNGOGAHAJUFAU-UHFFFAOYSA-N	0	3	272.323	2.361	10	30		CEEEHN
C[C@H]1CCC[C@H](N(C)C(=O)c2cncc(C#CCN)c2)C1	ZINC000049629611	524202718	/nfs/dbraw/zinc/20/27/18/524202718.db2.gz	CSMYRVZGSLEADW-BBRMVZONSA-N	0	3	285.391	2.043	10	30		CEEEHN
Cc1ccc([C@@H](C)NC(=O)c2cncc(C#CCN)c2)s1	ZINC000049629661	525719602	/nfs/dbraw/zinc/71/96/02/525719602.db2.gz	GKCNGHRDRHULHU-GFCCVEGCSA-N	0	3	299.399	2.253	10	30		CEEEHN
Cc1nn(Cc2ccnc(C#N)c2)c(C)c1CNC1CC1	ZINC000068758411	526299526	/nfs/dbraw/zinc/29/95/26/526299526.db2.gz	HSDSRDIPSRSKQH-UHFFFAOYSA-N	0	3	281.363	2.067	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCC[C@H]1CCCO	ZINC000052763728	526495413	/nfs/dbraw/zinc/49/54/13/526495413.db2.gz	CQUSWAJCOAGKTI-CVEARBPZSA-N	0	3	286.375	2.132	10	30		CEEEHN
NCC#Cc1cc(F)ccc1COC[C@H]1CCCCO1	ZINC000049610767	527149326	/nfs/dbraw/zinc/14/93/26/527149326.db2.gz	PIKGZBBCBKDBAA-MRXNPFEDSA-N	0	3	277.339	2.222	10	30		CEEEHN
NCC#Cc1ccc(Cn2cnc3ccccc32)cc1	ZINC000049610104	527150335	/nfs/dbraw/zinc/15/03/35/527150335.db2.gz	KPCXSMSQNNJPSP-UHFFFAOYSA-N	0	3	261.328	2.395	10	30		CEEEHN
NCC#Cc1ccccc1CNC(=O)C1CCCCC1	ZINC000049586400	527153325	/nfs/dbraw/zinc/15/33/25/527153325.db2.gz	LFPOKPNHADRGRR-UHFFFAOYSA-N	0	3	270.376	2.193	10	30		CEEEHN
NCC#Cc1cncc(C(=O)Nc2cccc(Cl)c2)c1	ZINC000049629331	527155511	/nfs/dbraw/zinc/15/55/11/527155511.db2.gz	AQJZYAQGKXPWNV-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
C[C@@H]1CCC[C@H](C)N1C(=O)c1sccc1C#CCN	ZINC000097814451	185670634	/nfs/dbraw/zinc/67/06/34/185670634.db2.gz	DJZQXUAMKKYPGE-TXEJJXNPSA-N	0	3	276.405	2.461	10	30		CEEEHN
Cc1nc(N2C[C@H]3CCCCN3C[C@H]2C)ccc1C#N	ZINC000336836468	365905111	/nfs/dbraw/zinc/90/51/11/365905111.db2.gz	KVRJHRNSJPERIC-IUODEOHRSA-N	0	3	270.380	2.325	10	30		CEEEHN
C=CCNCc1cc2c(cc1SC)OCCO2	ZINC000086498488	179302959	/nfs/dbraw/zinc/30/29/59/179302959.db2.gz	AXPKKSQIFXUMPA-UHFFFAOYSA-N	0	3	251.351	2.455	10	30		CEEEHN
CC(C)N[C@@H](C#N)CCN(C)CCc1ccccc1	ZINC000088203283	179566039	/nfs/dbraw/zinc/56/60/39/179566039.db2.gz	CHDMNCARCXWDBG-MRXNPFEDSA-N	0	3	259.397	2.441	10	30		CEEEHN
C[C@@H]1CCCCC[C@@H]1NC(=O)c1cncc(C#CCN)c1	ZINC000088517270	179616860	/nfs/dbraw/zinc/61/68/60/179616860.db2.gz	UXPTUGOUNOMJHZ-CJNGLKHVSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC[C@@H]([NH3+])[C@]([O-])(c1cc(F)cc(C#N)c1)C(F)(F)F	ZINC000091332090	180135965	/nfs/dbraw/zinc/13/59/65/180135965.db2.gz	FPOGQEZJUCATSL-GHMZBOCLSA-N	0	3	276.233	2.185	10	30		CEEEHN
COc1ccc(C#CCN)cc1CS[C@H](C)CCO	ZINC000091266348	180116993	/nfs/dbraw/zinc/11/69/93/180116993.db2.gz	DNHZFANPUSOGHL-GFCCVEGCSA-N	0	3	279.405	2.010	10	30		CEEEHN
Cc1c(C#CCN)cccc1C(=O)N1C[C@H](C)[C@@H](C)C1	ZINC000092112286	180327610	/nfs/dbraw/zinc/32/76/10/180327610.db2.gz	YVJJQCVVXBPLGO-STQMWFEESA-N	0	3	270.376	2.033	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](CC)c1ccccc1OC	ZINC000092473953	180393791	/nfs/dbraw/zinc/39/37/91/180393791.db2.gz	KQAIUBISJOTFOZ-ZDUSSCGKSA-N	0	3	262.353	2.038	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)Cc1ccccc1Cl	ZINC000092473827	180393833	/nfs/dbraw/zinc/39/38/33/180393833.db2.gz	HSGIZHMIUAXSRA-LLVKDONJSA-N	0	3	266.772	2.163	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)c(F)c2)CC1	ZINC000110817788	186327559	/nfs/dbraw/zinc/32/75/59/186327559.db2.gz	OZZVSIHOUGVOEE-CYBMUJFWSA-N	0	3	288.366	2.398	10	30		CEEEHN
C#CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)NCC	ZINC000110960462	186337138	/nfs/dbraw/zinc/33/71/38/186337138.db2.gz	GYBBTSZLXKVBPJ-UONOGXRCSA-N	0	3	288.391	2.182	10	30		CEEEHN
CC[C@@H]1CN(CCCOc2cccc(C#N)c2)CCN1C	ZINC000110718812	186315901	/nfs/dbraw/zinc/31/59/01/186315901.db2.gz	HTRGAXKHMRHNGE-MRXNPFEDSA-N	0	3	287.407	2.353	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCCN1CCN(C)C(C)(C)C1	ZINC000110737496	186318960	/nfs/dbraw/zinc/31/89/60/186318960.db2.gz	HENNLPIZCYJLMQ-MRXNPFEDSA-N	0	3	280.460	2.073	10	30		CEEEHN
NCC#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1	ZINC000111102498	186352490	/nfs/dbraw/zinc/35/24/90/186352490.db2.gz	XEGUCECVCBTERQ-USXIJHARSA-N	0	3	282.387	2.163	10	30		CEEEHN
NCC#Cc1ccsc1C(=O)N1CCCCCCC1	ZINC000111540736	186426686	/nfs/dbraw/zinc/42/66/86/186426686.db2.gz	JBMJJLXGBRXIJD-UHFFFAOYSA-N	0	3	276.405	2.465	10	30		CEEEHN
Cc1ccccc1CNC(=O)c1sccc1C#CCN	ZINC000111540885	186427383	/nfs/dbraw/zinc/42/73/83/186427383.db2.gz	PYNYHTKLATZQEB-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
N#CCC[C@H](C#N)CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000337316911	366141353	/nfs/dbraw/zinc/14/13/53/366141353.db2.gz	YRWWNEIHBDFNGL-QKPAOTATSA-N	0	3	275.396	2.445	10	30		CEEEHN
C=CCN(CC=C)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000079495875	363609584	/nfs/dbraw/zinc/60/95/84/363609584.db2.gz	NBGKUPHYAHLMKE-CQSZACIVSA-N	0	3	267.417	2.346	10	30		CEEEHN
C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21	ZINC000027623417	361656410	/nfs/dbraw/zinc/65/64/10/361656410.db2.gz	LHXOCOHMBFOVJS-OAHLLOKOSA-N	0	3	272.348	2.347	10	30	investigational	CEEEHN
COc1ccc(CN2CCC[C@@H]2CCCO)cc1C#N	ZINC000087832794	363872315	/nfs/dbraw/zinc/87/23/15/363872315.db2.gz	HQSBXUHPEIZDOT-OAHLLOKOSA-N	0	3	274.364	2.304	10	30		CEEEHN
NCC#Cc1cc(NC(=O)c2ccoc2)ccc1Cl	ZINC000094671707	184838087	/nfs/dbraw/zinc/83/80/87/184838087.db2.gz	MQBPUSSIIFKTRU-UHFFFAOYSA-N	0	3	274.707	2.496	10	30		CEEEHN
CN(C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1	ZINC000359669640	394769764	/nfs/dbraw/zinc/76/97/64/394769764.db2.gz	GCQRTUASIOVTPV-LSDHHAIUSA-N	0	3	271.364	2.170	10	30		CEEEHN
N#Cc1cccc(OCCCN2CCN3CCCC[C@@H]3C2)c1	ZINC000176822116	165178781	/nfs/dbraw/zinc/17/87/81/165178781.db2.gz	PBHISXSBRTVYBA-QGZVFWFLSA-N	0	3	299.418	2.497	10	30		CEEEHN
CCCOc1ccc([C@@H](C#N)NCCN(C)C)cc1	ZINC000020176427	171042366	/nfs/dbraw/zinc/04/23/66/171042366.db2.gz	JCOIAFLAULFQJX-OAHLLOKOSA-N	0	3	261.369	2.191	10	30		CEEEHN
N#Cc1cc(NC(=O)[C@H]2CCCCN2)ccc1Cl	ZINC000037018670	172881623	/nfs/dbraw/zinc/88/16/23/172881623.db2.gz	VLQOZVBMJMLQNZ-GFCCVEGCSA-N	0	3	263.728	2.292	10	30		CEEEHN
CCCCCNC(=O)c1cc(F)ccc1C#CCN	ZINC000037570087	173520686	/nfs/dbraw/zinc/52/06/86/173520686.db2.gz	QZQFANGULBPDMX-UHFFFAOYSA-N	0	3	262.328	2.056	10	30		CEEEHN
CCCN[C@@H](c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000043301263	175002014	/nfs/dbraw/zinc/00/20/14/175002014.db2.gz	JGIGOYUCUYZTKL-GJZGRUSLSA-N	0	3	292.404	2.034	10	30		CEEEHN
N#CCc1ccc(O[C@@H](CN)c2cccnc2)cc1	ZINC000043349326	175019383	/nfs/dbraw/zinc/01/93/83/175019383.db2.gz	UWLXGZIZFQYILQ-HNNXBMFYSA-N	0	3	253.305	2.226	10	30		CEEEHN
NCC#Cc1ccsc1CN1CCO[C@H]2CCCC[C@@H]21	ZINC000043684282	175093041	/nfs/dbraw/zinc/09/30/41/175093041.db2.gz	CTUATRNCSYGAEE-GJZGRUSLSA-N	0	3	290.432	2.202	10	30		CEEEHN
Cc1cnc(SCc2sccc2C#CCN)nc1	ZINC000043685936	175094622	/nfs/dbraw/zinc/09/46/22/175094622.db2.gz	QSUFWPJITSBODW-UHFFFAOYSA-N	0	3	275.402	2.449	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCCC[C@@H]1CCO	ZINC000044811813	175257886	/nfs/dbraw/zinc/25/78/86/175257886.db2.gz	ZIKCKSAWBRUKDD-HZPDHXFCSA-N	0	3	286.375	2.132	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCO[C@H]2CCC[C@@H]21	ZINC000044827819	175259808	/nfs/dbraw/zinc/25/98/08/175259808.db2.gz	YQFQIQAGHURYEG-JYJNAYRXSA-N	0	3	284.359	2.149	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCN(C)CCc1ccncc1	ZINC000045181466	175324680	/nfs/dbraw/zinc/32/46/80/175324680.db2.gz	XNVSJYORORIQLZ-MRXNPFEDSA-N	0	3	274.412	2.226	10	30		CEEEHN
CCCCCCNC(=O)c1cccc(C#CCN)c1	ZINC000070469057	175948692	/nfs/dbraw/zinc/94/86/92/175948692.db2.gz	AWQXQZMWOSNSOW-UHFFFAOYSA-N	0	3	258.365	2.307	10	30		CEEEHN
COCCN(CCC#N)[C@H](CN)c1cccc(Cl)c1	ZINC000071222109	176087507	/nfs/dbraw/zinc/08/75/07/176087507.db2.gz	ZNGCPVGBTMAXGK-CQSZACIVSA-N	0	3	281.787	2.202	10	30		CEEEHN
CC[C@@H](C#N)Oc1ccc(C)cc1CNCCOC	ZINC000071407430	176156383	/nfs/dbraw/zinc/15/63/83/176156383.db2.gz	VJEWYWPXTSZXKH-AWEZNQCLSA-N	0	3	262.353	2.412	10	30		CEEEHN
CO[C@@H]1C[C@@H](CO)N(Cc2ccccc2C(C)(C)C#N)C1	ZINC000284557186	263087360	/nfs/dbraw/zinc/08/73/60/263087360.db2.gz	IDYRKQMSFGULAM-LSDHHAIUSA-N	0	3	288.391	2.069	10	30		CEEEHN
N#Cc1cccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1F	ZINC000399006254	268248745	/nfs/dbraw/zinc/24/87/45/268248745.db2.gz	OUVXJJRYVUXOEN-NWANDNLSSA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCN1	ZINC000122720092	274362978	/nfs/dbraw/zinc/36/29/78/274362978.db2.gz	HURDCCSQECGIED-SECBINFHSA-N	0	3	269.270	2.375	10	30		CEEEHN
C#CCCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000159443050	275379147	/nfs/dbraw/zinc/37/91/47/275379147.db2.gz	FTDHVOUNPGYXOH-INIZCTEOSA-N	0	3	287.407	2.392	10	30		CEEEHN
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)CCC)cc1	ZINC000262309454	330005354	/nfs/dbraw/zinc/00/53/54/330005354.db2.gz	NIBBJPZLUBYNID-ZDUSSCGKSA-N	0	3	290.367	2.060	10	30		CEEEHN
C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(N(CC)CC(=O)[O-])C1	ZINC000263527181	330058947	/nfs/dbraw/zinc/05/89/47/330058947.db2.gz	UPFSWUMCZVRKDD-MRFVTOPCSA-N	0	3	268.401	2.114	10	30		CEEEHN
CC1(C#N)CCN(C[C@@H](O)COCc2ccccc2)CC1	ZINC000227351722	333281340	/nfs/dbraw/zinc/28/13/40/333281340.db2.gz	LJXTYOBVZQRJSG-MRXNPFEDSA-N	0	3	288.391	2.190	10	30		CEEEHN
CC[C@H]1CN(CCCC(C)(C)C#N)CCN1C[C@H](C)O	ZINC000245410119	334190801	/nfs/dbraw/zinc/19/08/01/334190801.db2.gz	PMEGMHXSKFXABT-GJZGRUSLSA-N	0	3	281.444	2.093	10	30		CEEEHN
CC(C)COC(=O)N(C)Cc1ccccc1C#CCN	ZINC000049587424	519750492	/nfs/dbraw/zinc/75/04/92/519750492.db2.gz	FDUCEAOREFOJHU-UHFFFAOYSA-N	0	3	274.364	2.221	10	30		CEEEHN
CCCN[C@](C#N)(CN(CCN(C)C)CC(C)C)C1CC1	ZINC000069079244	520100471	/nfs/dbraw/zinc/10/04/71/520100471.db2.gz	FUKKMKWCDRAAGD-QGZVFWFLSA-N	0	3	294.487	2.178	10	30		CEEEHN
CCCCNC(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587464	520644560	/nfs/dbraw/zinc/64/45/60/520644560.db2.gz	CUURZEYLWBOFNG-CYBMUJFWSA-N	0	3	273.380	2.157	10	30		CEEEHN
C=CCN(CC=C)C[C@H](O)COCc1ccccc1	ZINC000068048754	518770591	/nfs/dbraw/zinc/77/05/91/518770591.db2.gz	QMPNWMBIVZGSOB-INIZCTEOSA-N	0	3	261.365	2.238	10	30		CEEEHN
CC(C)CN(CCC#N)C(=O)[C@H](CN)c1ccccc1	ZINC000061612192	519715007	/nfs/dbraw/zinc/71/50/07/519715007.db2.gz	OTGLVAGGICLGEM-OAHLLOKOSA-N	0	3	273.380	2.127	10	30		CEEEHN
CCCC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691973	519877088	/nfs/dbraw/zinc/87/70/88/519877088.db2.gz	ZUWXBHARAXPTSZ-UHFFFAOYSA-N	0	3	250.729	2.389	10	30		CEEEHN
CC(C)n1cc(NC(=O)c2ccc(C#CCN)s2)cn1	ZINC000061684441	519964743	/nfs/dbraw/zinc/96/47/43/519964743.db2.gz	HKUHFQJZYLEWHZ-UHFFFAOYSA-N	0	3	288.376	2.088	10	30		CEEEHN
CCCN[C@](C#N)(CN1CCN([C@@H](C)CC)CC1)C1CC1	ZINC000069082513	520100200	/nfs/dbraw/zinc/10/02/00/520100200.db2.gz	UMYDJPAHUBYRCX-DOTOQJQBSA-N	0	3	292.471	2.074	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613195	520226049	/nfs/dbraw/zinc/22/60/49/520226049.db2.gz	ARHCMDJGXNXRQV-HOCLYGCPSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCOc1cc(CNCCOC)ccc1O[C@@H](C)C#N	ZINC000062731247	520716758	/nfs/dbraw/zinc/71/67/58/520716758.db2.gz	CBVCFLZJQBLKQC-LBPRGKRZSA-N	0	3	278.352	2.112	10	30		CEEEHN
CCC[C@H](C)C(=O)Nc1cc(C#CCN)ccc1OC	ZINC000049587325	521006643	/nfs/dbraw/zinc/00/66/43/521006643.db2.gz	PRCDZLLTNMSMJQ-LBPRGKRZSA-N	0	3	274.364	2.380	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCCO)CC1CC1	ZINC000049613555	523252375	/nfs/dbraw/zinc/25/23/75/523252375.db2.gz	ZLGILAARLQJPHE-UHFFFAOYSA-N	0	3	261.340	2.401	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCO)[C@@H]1CCSC1	ZINC000049617836	523253017	/nfs/dbraw/zinc/25/30/17/523253017.db2.gz	QOITUUFSOCSLMY-OAHLLOKOSA-N	0	3	279.380	2.107	10	30		CEEEHN
CN(Cc1ccccc1C#CCO)C[C@H]1CCCCO1	ZINC000049613696	523359825	/nfs/dbraw/zinc/35/98/25/523359825.db2.gz	CWSNZOOTFINRPB-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1ccncc1)Cc1ccc(F)c(C#CCN)c1	ZINC000049609304	523462077	/nfs/dbraw/zinc/46/20/77/523462077.db2.gz	AYXRWWNQPPOQFA-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1CCCCCC1	ZINC000049616138	523517083	/nfs/dbraw/zinc/51/70/83/523517083.db2.gz	KUXXATSWPKNJDG-UHFFFAOYSA-N	0	3	273.376	2.415	10	30		CEEEHN
Cc1nn(Cc2cccc(C#CCN)c2)c(C)c1C	ZINC000049610246	526292625	/nfs/dbraw/zinc/29/26/25/526292625.db2.gz	UEXAZKLRZJXIKY-UHFFFAOYSA-N	0	3	253.349	2.167	10	30		CEEEHN
N#Cc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1	ZINC000061610869	526658027	/nfs/dbraw/zinc/65/80/27/526658027.db2.gz	RZAJSTPLGSJNQU-OAHLLOKOSA-N	0	3	265.316	2.239	10	30		CEEEHN
NCC#Cc1cccc(COc2cccc([N+](=O)[O-])c2)c1	ZINC000049611131	527152880	/nfs/dbraw/zinc/15/28/80/527152880.db2.gz	OJIPVYWTLWZOQU-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
NCC#Cc1ccccc1COc1ccc2c(c1)OCO2	ZINC000049610854	527154511	/nfs/dbraw/zinc/15/45/11/527154511.db2.gz	KBKRWZHVGDPKQL-UHFFFAOYSA-N	0	3	281.311	2.305	10	30		CEEEHN
Cc1ncsc1C(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049586621	527474942	/nfs/dbraw/zinc/47/49/42/527474942.db2.gz	OGNDBEHGJSOFNN-UHFFFAOYSA-N	0	3	299.399	2.034	10	30		CEEEHN
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCCC#N	ZINC000089147984	640089666	/nfs/dbraw/zinc/08/96/66/640089666.db2.gz	QCRQHVYBQYANRS-RYUDHWBXSA-N	0	3	267.373	2.183	10	30		CEEEHN
CCN1CCC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1	ZINC000124749910	187151618	/nfs/dbraw/zinc/15/16/18/187151618.db2.gz	QKCUJYAEUXUVPM-LBPRGKRZSA-N	0	3	274.324	2.363	10	30		CEEEHN
COc1cc([C@H](C#N)CCN(C)C)cc(OC)c1OC	ZINC000034504534	343420046	/nfs/dbraw/zinc/42/00/46/343420046.db2.gz	ITUCQVABRZQPLR-NSHDSACASA-N	0	3	278.352	2.271	10	30		CEEEHN
CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(C#N)c1	ZINC000048069275	362244759	/nfs/dbraw/zinc/24/47/59/362244759.db2.gz	RIPDCVBXUDAZDD-OAHLLOKOSA-N	0	3	273.380	2.264	10	30		CEEEHN
CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)C	ZINC000158825005	344452317	/nfs/dbraw/zinc/45/23/17/344452317.db2.gz	ZFXVKZHMNUPEOL-HNNXBMFYSA-N	0	3	294.420	2.356	10	30		CEEEHN
C#C[C@H](N)c1ccc(F)cc1I	ZINC000236290523	344594708	/nfs/dbraw/zinc/59/47/08/344594708.db2.gz	DLRGHEPGKFNYLV-VIFPVBQESA-N	0	3	275.064	2.063	10	30		CEEEHN
C[C@@H]1C[C@H](O)CCN1CCCOc1cccc(C#N)c1	ZINC000602931417	347250745	/nfs/dbraw/zinc/25/07/45/347250745.db2.gz	VAAJHNPYKPHDGU-UKRRQHHQSA-N	0	3	274.364	2.172	10	30		CEEEHN
CN1CCC[C@H](Nc2c(C#N)nnc3ccccc32)C1	ZINC000085920138	179199888	/nfs/dbraw/zinc/19/98/88/179199888.db2.gz	GFPBHYDAMCEYAL-NSHDSACASA-N	0	3	267.336	2.008	10	30		CEEEHN
CN(CCNC1CC(C#N)(c2ccccc2)C1)C1CC1	ZINC000086038144	179221139	/nfs/dbraw/zinc/22/11/39/179221139.db2.gz	OACRIYJVEOUBEN-UHFFFAOYSA-N	0	3	269.392	2.294	10	30		CEEEHN
CN(C)CCc1nc2cc(C#N)ccc2n1C1CC1	ZINC000086636644	179315267	/nfs/dbraw/zinc/31/52/67/179315267.db2.gz	GHNYAPVCAFSKAO-UHFFFAOYSA-N	0	3	254.337	2.347	10	30		CEEEHN
COc1ccc(CO[C@H](C)C(F)(F)F)cc1C#CCN	ZINC000090673651	180021804	/nfs/dbraw/zinc/02/18/04/180021804.db2.gz	HEPOQKMTCAILAH-SNVBAGLBSA-N	0	3	287.281	2.473	10	30		CEEEHN
N#Cc1ncccc1Cn1cccc1CNC1CC1	ZINC000091001507	180083170	/nfs/dbraw/zinc/08/31/70/180083170.db2.gz	NLWAZHYQZNDYAK-UHFFFAOYSA-N	0	3	252.321	2.055	10	30		CEEEHN
C[C@H](CCO)SCc1ccc(F)c(C#CCN)c1	ZINC000091266357	180117060	/nfs/dbraw/zinc/11/70/60/180117060.db2.gz	YABJZMGWQPMOBT-LLVKDONJSA-N	0	3	267.369	2.140	10	30		CEEEHN
COc1ccc(C#CCN)c(CS[C@H](C)CCO)c1	ZINC000091266324	180117317	/nfs/dbraw/zinc/11/73/17/180117317.db2.gz	CWYLBLPHDXNDAJ-GFCCVEGCSA-N	0	3	279.405	2.010	10	30		CEEEHN
CC[C@H]1CCC[C@H](NC(=O)c2ccncc2C#CCN)C1	ZINC000091463581	180162213	/nfs/dbraw/zinc/16/22/13/180162213.db2.gz	BIVHYDUCTSYBRB-ZFWWWQNUSA-N	0	3	285.391	2.090	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)N2CCCCC2)cc1	ZINC000091969672	180295001	/nfs/dbraw/zinc/29/50/01/180295001.db2.gz	OWMXWZIQJPTMGK-UHFFFAOYSA-N	0	3	257.337	2.015	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)N2CCCCCC2)c1	ZINC000091971840	180295700	/nfs/dbraw/zinc/29/57/00/180295700.db2.gz	QHCFKFJGKYGXJV-UHFFFAOYSA-N	0	3	291.420	2.144	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)N1C[C@@H](C)[C@H](C)C1	ZINC000092112321	180327265	/nfs/dbraw/zinc/32/72/65/180327265.db2.gz	MCCWVWMWFUGFMC-ZIAGYGMSSA-N	0	3	270.376	2.033	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C	ZINC000092473762	180392545	/nfs/dbraw/zinc/39/25/45/180392545.db2.gz	JNKKRFNTIYVENY-CHWSQXEVSA-N	0	3	252.402	2.483	10	30		CEEEHN
CCCC(C#N)(CCC)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000110250181	186288488	/nfs/dbraw/zinc/28/84/88/186288488.db2.gz	QKFHKHCUVWTCFA-CYBMUJFWSA-N	0	3	265.401	2.259	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(C#CCN)cc2)CC1	ZINC000110817785	186327609	/nfs/dbraw/zinc/32/76/09/186327609.db2.gz	DYQBTZPUERYWJS-AWEZNQCLSA-N	0	3	270.376	2.259	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)c1nc(C)ccc1C#N	ZINC000092631249	364090016	/nfs/dbraw/zinc/09/00/16/364090016.db2.gz	ZIBSMDRUKJCFKZ-CQSZACIVSA-N	0	3	258.369	2.182	10	30		CEEEHN
CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccco1	ZINC000092797134	364107370	/nfs/dbraw/zinc/10/73/70/364107370.db2.gz	LZHDVPXIJMUKNO-ZDUSSCGKSA-N	0	3	275.352	2.179	10	30		CEEEHN
C[C@H]1CN(c2ccc(C#N)cc2Br)CCN1	ZINC000116942737	365081999	/nfs/dbraw/zinc/08/19/99/365081999.db2.gz	LWZOMHJHCUYPBR-VIFPVBQESA-N	0	3	280.169	2.119	10	30		CEEEHN
C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C#N)n1	ZINC000235464400	370567201	/nfs/dbraw/zinc/56/72/01/370567201.db2.gz	NHLSQVJQSGWPRT-LLVKDONJSA-N	0	3	289.339	2.148	10	30		CEEEHN
C=CCOCCN1C[C@@H]2CCCCN2C[C@@H]1CC	ZINC000302328170	400331299	/nfs/dbraw/zinc/33/12/99/400331299.db2.gz	FVUFYWRGBNYYLQ-GJZGRUSLSA-N	0	3	252.402	2.138	10	30		CEEEHN
CN(C)CCN[C@H](C#N)c1c(F)cccc1Cl	ZINC000020175256	171041732	/nfs/dbraw/zinc/04/17/32/171041732.db2.gz	BVNWIUOWAGGOPL-LLVKDONJSA-N	0	3	255.724	2.195	10	30		CEEEHN
CC(C)Oc1ccc([C@H](C#N)NCCN(C)C)cc1	ZINC000020176546	171042453	/nfs/dbraw/zinc/04/24/53/171042453.db2.gz	XYVQRQKJZDSDRN-HNNXBMFYSA-N	0	3	261.369	2.190	10	30		CEEEHN
Cc1ccc(OCc2ccncc2)c(C#CCN)c1	ZINC000037548022	173264903	/nfs/dbraw/zinc/26/49/03/173264903.db2.gz	BPZMVHBBYJFHCA-UHFFFAOYSA-N	0	3	252.317	2.279	10	30		CEEEHN
NCC#Cc1csc(CN2CCO[C@@H]3CCCC[C@@H]32)c1	ZINC000043689142	175096245	/nfs/dbraw/zinc/09/62/45/175096245.db2.gz	WIRMKLBMVJZCSS-JKSUJKDBSA-N	0	3	290.432	2.202	10	30		CEEEHN
COC1CCN(Cc2cc(C#CCCO)cs2)CC1	ZINC000043698589	175096896	/nfs/dbraw/zinc/09/68/96/175096896.db2.gz	PEQBOSNFJKDGFC-UHFFFAOYSA-N	0	3	279.405	2.093	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCN(C)C[C@@H]1CCCCO1	ZINC000045181890	175324814	/nfs/dbraw/zinc/32/48/14/175324814.db2.gz	FSJFNZMLZUDLLY-GJZGRUSLSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCN1CCN(C(C)C)CC1	ZINC000045311477	175356841	/nfs/dbraw/zinc/35/68/41/175356841.db2.gz	DGVPHMHVVGFVFJ-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
Cc1ccc(C#N)cc1N1CCC[C@H](NC(C)C)C1=O	ZINC000071042250	176028697	/nfs/dbraw/zinc/02/86/97/176028697.db2.gz	WHAALCZKPKIQMR-AWEZNQCLSA-N	0	3	271.364	2.360	10	30		CEEEHN
C=CCCOc1cc(CNCCOC)ccc1[N+](=O)[O-]	ZINC000071275041	176105979	/nfs/dbraw/zinc/10/59/79/176105979.db2.gz	REJRNZJGKUCEQQ-UHFFFAOYSA-N	0	3	280.324	2.286	10	30		CEEEHN
CC(C)(C)SCC(=O)NCc1cc(C#CCN)cs1	ZINC000071322526	176122837	/nfs/dbraw/zinc/12/28/37/176122837.db2.gz	MIYBXNPESPOYES-UHFFFAOYSA-N	0	3	296.461	2.206	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)Oc1ccc(C)cc1CNC1CC1	ZINC000071406888	176156521	/nfs/dbraw/zinc/15/65/21/176156521.db2.gz	GSSRPKZCUHSQIL-CYBMUJFWSA-N	0	3	288.391	2.317	10	30		CEEEHN
C=CCC[C@H](CN1CCCC1)Oc1cncc(N(C)C)n1	ZINC000072408525	264267668	/nfs/dbraw/zinc/26/76/68/264267668.db2.gz	YNSLXPSYKOMGEU-CQSZACIVSA-N	0	3	290.411	2.352	10	30		CEEEHN
CC1(C)CN(c2c(F)cc(C#N)cc2F)CCN1	ZINC000212718309	273584785	/nfs/dbraw/zinc/58/47/85/273584785.db2.gz	ILBJOOUCDWWQPT-UHFFFAOYSA-N	0	3	251.280	2.025	10	30		CEEEHN
Cc1nc(C[C@@H]2CCCN(CCCCC#N)C2)no1	ZINC000171037817	329074362	/nfs/dbraw/zinc/07/43/62/329074362.db2.gz	MYFSNQMWNLCFSB-ZDUSSCGKSA-N	0	3	262.357	2.326	10	30		CEEEHN
CC(C)(C#N)CCCN1CCC[C@@H](n2cncn2)C1	ZINC000174847478	329163837	/nfs/dbraw/zinc/16/38/37/329163837.db2.gz	PEDAOROYCILQRG-CYBMUJFWSA-N	0	3	261.373	2.245	10	30		CEEEHN
CC#CCN1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190499214	329397895	/nfs/dbraw/zinc/39/78/95/329397895.db2.gz	CZIGNZRCNDIEFK-HNNXBMFYSA-N	0	3	294.439	2.138	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000424066111	330219273	/nfs/dbraw/zinc/21/92/73/330219273.db2.gz	NAFJCXVCEBKTOM-DCAQKATOSA-N	0	3	291.317	2.245	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1	ZINC000194328968	333269161	/nfs/dbraw/zinc/26/91/61/333269161.db2.gz	NJGSFHNYZYXISL-HNNXBMFYSA-N	0	3	286.379	2.358	10	30		CEEEHN
C=C[C@H](C)Oc1ccc(CNCCOC)cc1[N+](=O)[O-]	ZINC000062730745	519300840	/nfs/dbraw/zinc/30/08/40/519300840.db2.gz	DZSJBCTUVOAWFJ-NSHDSACASA-N	0	3	280.324	2.284	10	30		CEEEHN
CCCCNC(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049587418	520641559	/nfs/dbraw/zinc/64/15/59/520641559.db2.gz	JNJFHHJGMSRGOZ-ZDUSSCGKSA-N	0	3	273.380	2.157	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000050891011	521147475	/nfs/dbraw/zinc/14/74/75/521147475.db2.gz	QEOGFMAUDJGUGG-LBPRGKRZSA-N	0	3	276.355	2.444	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1)C(=O)c1ccccc1	ZINC000049586587	523202796	/nfs/dbraw/zinc/20/27/96/523202796.db2.gz	APLOEFVNXMTUEJ-UHFFFAOYSA-N	0	3	278.355	2.269	10	30		CEEEHN
COc1ccc(C#CCN)cc1NC(=O)c1ccsc1	ZINC000049587377	523517771	/nfs/dbraw/zinc/51/77/71/523517771.db2.gz	IRRFRXYIARTNMY-UHFFFAOYSA-N	0	3	286.356	2.319	10	30		CEEEHN
COc1ccc(C#CCN)cc1CSC1CCOCC1	ZINC000062056108	523517902	/nfs/dbraw/zinc/51/79/02/523517902.db2.gz	OZZGWIQCPGCKKX-UHFFFAOYSA-N	0	3	291.416	2.418	10	30		CEEEHN
COc1ccc(CN(C)C2CC2)cc1C#CCCO	ZINC000049617394	524001718	/nfs/dbraw/zinc/00/17/18/524001718.db2.gz	UYSLUZZSPXAOOJ-UHFFFAOYSA-N	0	3	259.349	2.023	10	30		CEEEHN
Cc1cc(N(C)CCN2CCCC2)c(C#N)c(C)n1	ZINC000157431988	525026931	/nfs/dbraw/zinc/02/69/31/525026931.db2.gz	YUWVMGFYYXYJPJ-UHFFFAOYSA-N	0	3	258.369	2.102	10	30		CEEEHN
COc1ccc(C(C#N)C(=O)[C@H]2CCCCO2)cc1	ZINC000050963866	525114834	/nfs/dbraw/zinc/11/48/34/525114834.db2.gz	GOMIGRLWNRURAB-ZIAGYGMSSA-N	0	3	259.305	2.441	10	30		CEEEHN
C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)cc1C#CCN	ZINC000050568525	525637051	/nfs/dbraw/zinc/63/70/51/525637051.db2.gz	WWRDVXWZVJPQEI-QWHCGFSZSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(C#CCN)cc2)[C@H]1C	ZINC000050568510	526266605	/nfs/dbraw/zinc/26/66/05/526266605.db2.gz	IESRZRZBRVTRRB-KBPBESRZSA-N	0	3	270.376	2.257	10	30		CEEEHN
N#CCc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1	ZINC000061611760	526484853	/nfs/dbraw/zinc/48/48/53/526484853.db2.gz	DPCFKMOUPHFFMN-MRXNPFEDSA-N	0	3	279.343	2.434	10	30		CEEEHN
CC(C)(C)[C@H](O)CNCc1ccc(C#N)c(F)c1	ZINC000404192858	526715607	/nfs/dbraw/zinc/71/56/07/526715607.db2.gz	FKUIIJKHNZWNAO-CYBMUJFWSA-N	0	3	250.317	2.194	10	30		CEEEHN
N#Cc1cccc(NC(=O)[C@@H](CN)c2ccccc2)c1	ZINC000061610839	526720434	/nfs/dbraw/zinc/72/04/34/526720434.db2.gz	DDRYLUMZFUZRMJ-HNNXBMFYSA-N	0	3	265.316	2.239	10	30		CEEEHN
Cc1occc1C(=O)N[C@@H](C)c1ccc(C#CCN)cc1	ZINC000049586757	526810232	/nfs/dbraw/zinc/81/02/32/526810232.db2.gz	FLZCMAALVBBGNJ-LBPRGKRZSA-N	0	3	282.343	2.389	10	30		CEEEHN
NCC#Cc1ccc(Cn2cc(Cl)cn2)c(F)c1	ZINC000049610225	527150084	/nfs/dbraw/zinc/15/00/84/527150084.db2.gz	SRSPEBKRXPNDTD-UHFFFAOYSA-N	0	3	263.703	2.034	10	30		CEEEHN
NCC#Cc1ccsc1Cn1ncc2ccccc21	ZINC000050527418	527154833	/nfs/dbraw/zinc/15/48/33/527154833.db2.gz	JAQOTFQVDMMQDB-UHFFFAOYSA-N	0	3	267.357	2.456	10	30		CEEEHN
CC#CCOc1ccc(Br)c(CN)c1	ZINC000128023754	344333626	/nfs/dbraw/zinc/33/36/26/344333626.db2.gz	ACBAAVLMFFZFIF-UHFFFAOYSA-N	0	3	254.127	2.310	10	30		CEEEHN
C=C[C@](C)(O)CN(CC)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000169677933	344481777	/nfs/dbraw/zinc/48/17/77/344481777.db2.gz	ISKZIRCXSQBNNN-RDJZCZTQSA-N	0	3	288.391	2.439	10	30		CEEEHN
CC(=O)O[C@]1(C#Cc2ccccc2)CCN(C)C[C@@H]1C	ZINC000584636802	344971212	/nfs/dbraw/zinc/97/12/12/344971212.db2.gz	DYGLEMPSQGOBFF-WMLDXEAASA-N	0	3	271.360	2.312	10	30		CEEEHN
N#C[C@H]1CCC[C@H]1NC1CCN(CC(F)(F)F)CC1	ZINC000061892454	362696738	/nfs/dbraw/zinc/69/67/38/362696738.db2.gz	DCEXZSUFMDOMPX-ZYHUDNBSSA-N	0	3	275.318	2.295	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2C#CCN)[C@@H]1C	ZINC000086081140	179227325	/nfs/dbraw/zinc/22/73/25/179227325.db2.gz	KWKLFJHTTHVLGF-XHBSWPGZSA-N	0	3	288.366	2.300	10	30		CEEEHN
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000129745372	365892365	/nfs/dbraw/zinc/89/23/65/365892365.db2.gz	SFMHJYGYFSHLFH-XJKSGUPXSA-N	0	3	285.391	2.325	10	30		CEEEHN
Cc1ccc(C#CCN)cc1C(=O)N[C@H](C)C(C)C	ZINC000087747944	179481000	/nfs/dbraw/zinc/48/10/00/179481000.db2.gz	UQHJIUYOHAOKHU-CYBMUJFWSA-N	0	3	258.365	2.080	10	30		CEEEHN
COc1ccc(C#CCN)c(CO[C@H](C)C(F)(F)F)c1	ZINC000090673677	180021710	/nfs/dbraw/zinc/02/17/10/180021710.db2.gz	IQORNTSKQXEEOL-SNVBAGLBSA-N	0	3	287.281	2.473	10	30		CEEEHN
NCC#Cc1ccc(OC[C@H]2Cc3ccccc3O2)cc1	ZINC000090876382	180051818	/nfs/dbraw/zinc/05/18/18/180051818.db2.gz	LOGVZFZFYLVHDT-QGZVFWFLSA-N	0	3	279.339	2.379	10	30		CEEEHN
CCCCN(C(=O)c1ccncc1C#CCN)[C@@H](C)CC	ZINC000091462525	180162199	/nfs/dbraw/zinc/16/21/99/180162199.db2.gz	DTDNZUIIPMNSIB-AWEZNQCLSA-N	0	3	287.407	2.433	10	30		CEEEHN
Cc1ncccc1NC(=O)c1sccc1C#CCN	ZINC000091497950	180173036	/nfs/dbraw/zinc/17/30/36/180173036.db2.gz	VNIFXRXODRIWRV-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
CN(Cc1csc(C#CCN)c1)C(=O)N1CCCCC1	ZINC000091969693	180294954	/nfs/dbraw/zinc/29/49/54/180294954.db2.gz	ZMGBSODAPQJDSB-UHFFFAOYSA-N	0	3	291.420	2.096	10	30		CEEEHN
Cc1cc(NC(=O)c2cccc(C#CCN)c2C)ccn1	ZINC000092365931	180369427	/nfs/dbraw/zinc/36/94/27/180369427.db2.gz	FZHSNQQKOMRNCJ-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
NCC#Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)s1	ZINC000110538847	186302340	/nfs/dbraw/zinc/30/23/40/186302340.db2.gz	MQGNSGNFZSBNTG-UHFFFAOYSA-N	0	3	296.355	2.187	10	30		CEEEHN
CN(Cc1ccc(C#CCO)cc1F)CC1CCOCC1	ZINC000111168370	186363686	/nfs/dbraw/zinc/36/36/86/186363686.db2.gz	QPZJXCJLVXUSGR-UHFFFAOYSA-N	0	3	291.366	2.028	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)c1nccc(C)c1C#N	ZINC000135084720	366394714	/nfs/dbraw/zinc/39/47/14/366394714.db2.gz	RWLWWAAHARXVAW-CYBMUJFWSA-N	0	3	258.369	2.182	10	30		CEEEHN
CC(C)N1CCCC[C@@H]1C(=O)N1CCC(C#N)CC1	ZINC000156028650	366826193	/nfs/dbraw/zinc/82/61/93/366826193.db2.gz	WBPVBMQYWHMVAN-CQSZACIVSA-N	0	3	263.385	2.011	10	30		CEEEHN
N#CCc1ccc(CN2CCN3CCCC[C@H]3C2)cc1	ZINC000335293771	364679394	/nfs/dbraw/zinc/67/93/94/364679394.db2.gz	OJCPRTCLAIDOMK-KRWDZBQOSA-N	0	3	269.392	2.423	10	30		CEEEHN
Cn1cc([C@@H]2CCN(CCOc3ccccc3C#N)C2)cn1	ZINC000116322442	365051686	/nfs/dbraw/zinc/05/16/86/365051686.db2.gz	GAWMBDPKEJCXQY-OAHLLOKOSA-N	0	3	296.374	2.160	10	30		CEEEHN
COc1ccc(C#N)cc1CN1CC[C@@H](c2cnn(C)c2)C1	ZINC000120673773	365458976	/nfs/dbraw/zinc/45/89/76/365458976.db2.gz	VYVYWIYXZMVQAH-CQSZACIVSA-N	0	3	296.374	2.290	10	30		CEEEHN
CCN1CCC[C@H](NC(=O)Nc2cccc(C#N)c2C)C1	ZINC000178554366	368304586	/nfs/dbraw/zinc/30/45/86/368304586.db2.gz	RPZWNDZIEGHRPY-AWEZNQCLSA-N	0	3	286.379	2.473	10	30		CEEEHN
C=CCC(CC=C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C	ZINC000246152099	370917371	/nfs/dbraw/zinc/91/73/71/370917371.db2.gz	ZWHSHYDGMNVFJT-HIFRSBDPSA-N	0	3	262.397	2.450	10	30		CEEEHN
C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C#N)n1	ZINC000235102178	370556605	/nfs/dbraw/zinc/55/66/05/370556605.db2.gz	NHLSQVJQSGWPRT-NSHDSACASA-N	0	3	289.339	2.148	10	30		CEEEHN
CC#CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000248628183	371226286	/nfs/dbraw/zinc/22/62/86/371226286.db2.gz	VPXVKPASYCTIFE-IHRRRGAJSA-N	0	3	278.396	2.245	10	30		CEEEHN
CC(C)[C@@H](C)CNC(=O)c1cccc(C#CCN)c1	ZINC000081109410	177771203	/nfs/dbraw/zinc/77/12/03/177771203.db2.gz	DGJUTJARPXZKIP-ZDUSSCGKSA-N	0	3	258.365	2.019	10	30		CEEEHN
C[C@H]1CCC[C@@](N)(C(=O)N(CCC#N)Cc2ccco2)C1	ZINC000080923156	177730032	/nfs/dbraw/zinc/73/00/32/177730032.db2.gz	ADPSYCSMAPRLIB-BBRMVZONSA-N	0	3	289.379	2.429	10	30		CEEEHN
COc1ncccc1COc1ccc(C)cc1C#CCN	ZINC000095009848	184914828	/nfs/dbraw/zinc/91/48/28/184914828.db2.gz	GDPKASQETVJDBS-UHFFFAOYSA-N	0	3	282.343	2.288	10	30		CEEEHN
C[C@H](NCC(=O)N(CCC#N)CCC#N)c1cccs1	ZINC000182410501	395241174	/nfs/dbraw/zinc/24/11/74/395241174.db2.gz	UXIGEFMQFKKSHY-LBPRGKRZSA-N	0	3	290.392	2.055	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@@H]1CCCc2ccccc21	ZINC000035179974	172033707	/nfs/dbraw/zinc/03/37/07/172033707.db2.gz	YUMVENNITHPYPA-SWLSCSKDSA-N	0	3	258.365	2.344	10	30		CEEEHN
C#CCN1CCC(Nc2ccc3cn[nH]c3c2)CC1	ZINC000037317244	173117653	/nfs/dbraw/zinc/11/76/53/173117653.db2.gz	FMCGLTSWCWSJQN-UHFFFAOYSA-N	0	3	254.337	2.072	10	30		CEEEHN
C#CCN1CCC(Nc2ccc3c[nH]nc3c2)CC1	ZINC000037317244	173117654	/nfs/dbraw/zinc/11/76/54/173117654.db2.gz	FMCGLTSWCWSJQN-UHFFFAOYSA-N	0	3	254.337	2.072	10	30		CEEEHN
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000037508807	173242770	/nfs/dbraw/zinc/24/27/70/173242770.db2.gz	IKGIUBGQIDHEDE-MJVIPROJSA-N	0	3	259.353	2.109	10	30		CEEEHN
CCCCCCCCN[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000043273765	174996674	/nfs/dbraw/zinc/99/66/74/174996674.db2.gz	VTMYOAKBQRZPSW-CQSZACIVSA-O	0	3	273.441	2.486	10	30		CEEEHN
CCCN[C@H](c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000043301264	175002112	/nfs/dbraw/zinc/00/21/12/175002112.db2.gz	JGIGOYUCUYZTKL-LSDHHAIUSA-N	0	3	292.404	2.034	10	30		CEEEHN
CCCN[C@H](c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000043301261	175002174	/nfs/dbraw/zinc/00/21/74/175002174.db2.gz	JGIGOYUCUYZTKL-HUUCEWRRSA-N	0	3	292.404	2.034	10	30		CEEEHN
N#CCc1ccc(O[C@H](CN)c2ccccn2)cc1	ZINC000043341883	175015113	/nfs/dbraw/zinc/01/51/13/175015113.db2.gz	BNZFIPVODPQBJB-OAHLLOKOSA-N	0	3	253.305	2.226	10	30		CEEEHN
CC(C)c1nccn1Cc1cc(C#CCN)cs1	ZINC000043689186	175096178	/nfs/dbraw/zinc/09/61/78/175096178.db2.gz	PSFMPONUWMIABC-UHFFFAOYSA-N	0	3	259.378	2.427	10	30		CEEEHN
CN1CC[C@H](Nc2c(C#N)cnc3ccccc32)C1	ZINC000044386114	175170210	/nfs/dbraw/zinc/17/02/10/175170210.db2.gz	XORBVJGUDFIZHP-LBPRGKRZSA-N	0	3	252.321	2.222	10	30		CEEEHN
CCN(C(=O)C(C#N)Cc1ccccc1)[C@@H](C)COC	ZINC000044827465	175260125	/nfs/dbraw/zinc/26/01/25/175260125.db2.gz	DTYGTXSIZZTQLF-DZGCQCFKSA-N	0	3	274.364	2.252	10	30		CEEEHN
CCN(CC[C@@](C)(C#N)NC(C)C)[C@@H](C)COC	ZINC000045181860	175324697	/nfs/dbraw/zinc/32/46/97/175324697.db2.gz	SRDSHSISPSMSRS-KBPBESRZSA-N	0	3	255.406	2.014	10	30		CEEEHN
CCCN1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1	ZINC000045306446	175355575	/nfs/dbraw/zinc/35/55/75/175355575.db2.gz	XQGORJLFEKYHLH-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCN1CCN(CCC)CC1	ZINC000045306442	175356031	/nfs/dbraw/zinc/35/60/31/175356031.db2.gz	ZXKHHALLIXBASZ-INIZCTEOSA-N	0	3	280.460	2.076	10	30		CEEEHN
C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1C#CCN	ZINC000071210977	176083261	/nfs/dbraw/zinc/08/32/61/176083261.db2.gz	MISVUULBZLXWKY-ABAIWWIYSA-N	0	3	274.339	2.054	10	30		CEEEHN
C#CCCn1c(CNCCOC)cc2ccccc21	ZINC000080060691	177603707	/nfs/dbraw/zinc/60/37/07/177603707.db2.gz	HAWBTOPHCRWVKK-UHFFFAOYSA-N	0	3	256.349	2.401	10	30		CEEEHN
C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCN1	ZINC000052783379	274362881	/nfs/dbraw/zinc/36/28/81/274362881.db2.gz	RCJGRDLUAPGJAC-SECBINFHSA-N	0	3	269.270	2.375	10	30		CEEEHN
CC(C)[C@H](N)C(=O)N1CCC2(C1)CCC(CS)CC2	ZINC000095087951	280272297	/nfs/dbraw/zinc/27/22/97/280272297.db2.gz	NQUWPZFKXRAACE-OWYJLGKBSA-N	0	3	284.469	2.308	10	30		CEEEHN
CCOCCN1CCN(CCCC(C)(C)C#N)C[C@H]1C	ZINC000245409348	334190565	/nfs/dbraw/zinc/19/05/65/334190565.db2.gz	LUGVHKPNSDPDDC-OAHLLOKOSA-N	0	3	281.444	2.359	10	30		CEEEHN
CC(C)CN(CCN(C)C)C[C@@](C#N)(NC(C)C)C1CC1	ZINC000069079218	519716178	/nfs/dbraw/zinc/71/61/78/519716178.db2.gz	SPXUTEGPKCECTM-QGZVFWFLSA-N	0	3	294.487	2.176	10	30		CEEEHN
CC(C)N[C@@](C#N)(CN1CCN(C(C)(C)C)CC1)C1CC1	ZINC000069080468	519735120	/nfs/dbraw/zinc/73/51/20/519735120.db2.gz	DTELOBNTIHQAOU-KRWDZBQOSA-N	0	3	292.471	2.073	10	30		CEEEHN
CCN[C@](C)(C#N)CCCCN1CCN([C@H](C)CC)CC1	ZINC000055070194	520225527	/nfs/dbraw/zinc/22/55/27/520225527.db2.gz	PHGZXBJOEQGIPC-SJORKVTESA-N	0	3	294.487	2.465	10	30		CEEEHN
C#CCNC(=O)COc1cc(F)ccc1[C@H](C)NCCC	ZINC000062747364	518275758	/nfs/dbraw/zinc/27/57/58/518275758.db2.gz	GBBJVMMIGDPQDK-LBPRGKRZSA-N	0	3	292.354	2.015	10	30		CEEEHN
CC(C)(C)SCC(=O)NCc1cccc(C#CCN)c1	ZINC000049586447	518906247	/nfs/dbraw/zinc/90/62/47/518906247.db2.gz	QIQKQLRJKULTHH-UHFFFAOYSA-N	0	3	290.432	2.145	10	30		CEEEHN
C=C[C@@H](C)Oc1ccc(CNCCOC)cc1OC	ZINC000062731966	519294337	/nfs/dbraw/zinc/29/43/37/519294337.db2.gz	RUHXJFKRBLQERN-GFCCVEGCSA-N	0	3	265.353	2.385	10	30		CEEEHN
CC(C)CN(CCN(C)C)C(=O)[C@H](C#N)c1ccccc1	ZINC000061615253	519716234	/nfs/dbraw/zinc/71/62/34/519716234.db2.gz	ITXKEFFKUUEPSK-MRXNPFEDSA-N	0	3	287.407	2.340	10	30		CEEEHN
CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613202	519739258	/nfs/dbraw/zinc/73/92/58/519739258.db2.gz	UFSAITGYUNGBES-WBVHZDCISA-N	0	3	294.487	2.461	10	30		CEEEHN
CCCN[C@@](C#N)(CN(CCN(C)C)CC(C)C)C1CC1	ZINC000069079247	520028964	/nfs/dbraw/zinc/02/89/64/520028964.db2.gz	FUKKMKWCDRAAGD-KRWDZBQOSA-N	0	3	294.487	2.178	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N1CCN(CC(C)C)CC1	ZINC000068615089	520034447	/nfs/dbraw/zinc/03/44/47/520034447.db2.gz	BJQKNWQXKGKTLR-DLBZAZTESA-N	0	3	294.487	2.320	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N1CCN([C@@H](C)CC)CC1	ZINC000068614995	520034645	/nfs/dbraw/zinc/03/46/45/520034645.db2.gz	GATUIHQXWVJPFO-YESZJQIVSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@H](C)N(C)CCc1ccncc1	ZINC000068611947	520129900	/nfs/dbraw/zinc/12/99/00/520129900.db2.gz	BFIOWRIEMPWZNG-GOEBONIOSA-N	0	3	274.412	2.226	10	30		CEEEHN
CCCCC[C@H](C)NC(=O)c1cncc(C#CCN)c1	ZINC000049629636	520307434	/nfs/dbraw/zinc/30/74/34/520307434.db2.gz	BSZAAOYUUSTWAQ-ZDUSSCGKSA-N	0	3	273.380	2.090	10	30		CEEEHN
CCCCN(CCO)Cc1ccc(F)cc1C#CCCO	ZINC000049614034	520523028	/nfs/dbraw/zinc/52/30/28/520523028.db2.gz	DYCXZWVZSDLDJT-UHFFFAOYSA-N	0	3	293.382	2.154	10	30		CEEEHN
CCN(Cc1ccc(C#CCO)cc1)C[C@H]1CCCO1	ZINC000049613773	521298912	/nfs/dbraw/zinc/29/89/12/521298912.db2.gz	ZCNDPRFTEFMUNT-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
CCN(Cc1ccccc1C#CCO)C[C@@H]1CCCO1	ZINC000049613769	521376684	/nfs/dbraw/zinc/37/66/84/521376684.db2.gz	MKPNSJZMNVSJJL-KRWDZBQOSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCN)CC(F)(F)F	ZINC000049609406	523253186	/nfs/dbraw/zinc/25/31/86/523253186.db2.gz	LEFRYCMMEKVAJR-UHFFFAOYSA-N	0	3	274.261	2.130	10	30		CEEEHN
COc1ccc(CN2CCC[C@@H]2C)cc1C#CCO	ZINC000049615240	524028348	/nfs/dbraw/zinc/02/83/48/524028348.db2.gz	STGPKOIYYDELAV-ZDUSSCGKSA-N	0	3	259.349	2.023	10	30		CEEEHN
COc1ccc(CN2CC[C@H](C)C2)cc1C#CCCO	ZINC000049613595	524038107	/nfs/dbraw/zinc/03/81/07/524038107.db2.gz	FALOFCRDPIYARI-AWEZNQCLSA-N	0	3	273.376	2.271	10	30		CEEEHN
Cc1cc(C(=O)Nc2ncc(C#CCN)s2)ccc1F	ZINC000063058495	524186892	/nfs/dbraw/zinc/18/68/92/524186892.db2.gz	HRXLFPLUTBZBAL-UHFFFAOYSA-N	0	3	289.335	2.153	10	30		CEEEHN
COc1ccc(Cn2nc(C)c(C)c2C)cc1C#CCN	ZINC000049610243	524265161	/nfs/dbraw/zinc/26/51/61/524265161.db2.gz	GZSQCMLXHOJPAP-UHFFFAOYSA-N	0	3	283.375	2.175	10	30		CEEEHN
C[C@H](Cc1ccsc1)NC(=O)c1ccc(C#CCN)cc1	ZINC000049189260	524762118	/nfs/dbraw/zinc/76/21/18/524762118.db2.gz	JEXRTVUPSIKNNT-CYBMUJFWSA-N	0	3	298.411	2.419	10	30		CEEEHN
C[C@H](NC(=O)Cc1cccs1)c1ccc(C#CCN)cc1	ZINC000049586781	524989625	/nfs/dbraw/zinc/98/96/25/524989625.db2.gz	YHXYRZFKTOLFSR-ZDUSSCGKSA-N	0	3	298.411	2.478	10	30		CEEEHN
C[C@H](NC(=O)c1ccccc1)c1ccc(C#CCN)cc1	ZINC000049586720	525236048	/nfs/dbraw/zinc/23/60/48/525236048.db2.gz	UWYKZMNWQHWXMX-AWEZNQCLSA-N	0	3	278.355	2.488	10	30		CEEEHN
Cc1ccc(NC(=O)c2cncc(C#CCN)c2)c(F)c1	ZINC000049629515	525253971	/nfs/dbraw/zinc/25/39/71/525253971.db2.gz	MSSUGDJKOLSTAN-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C[C@H](NC(=O)c1ccoc1)c1cccc(C#CCN)c1	ZINC000049587204	525256216	/nfs/dbraw/zinc/25/62/16/525256216.db2.gz	XCMZZJBTAWKFCR-LBPRGKRZSA-N	0	3	268.316	2.081	10	30		CEEEHN
C[C@H](NC(=O)c1cncc(C#CCN)c1)C1CCCCC1	ZINC000052344713	525262935	/nfs/dbraw/zinc/26/29/35/525262935.db2.gz	PJPOGLFXSKDOAL-ZDUSSCGKSA-N	0	3	285.391	2.090	10	30		CEEEHN
Cc1cc(SCc2ccc(F)cc2C#CCN)n(C)n1	ZINC000052311598	525437523	/nfs/dbraw/zinc/43/75/23/525437523.db2.gz	FGYJTTQMNRGANI-UHFFFAOYSA-N	0	3	289.379	2.470	10	30		CEEEHN
Cc1ccoc1C(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587202	525787213	/nfs/dbraw/zinc/78/72/13/525787213.db2.gz	JNXNNHNJJFYXSA-CYBMUJFWSA-N	0	3	282.343	2.389	10	30		CEEEHN
Cc1ccc(C#N)cc1NC(=O)CNC1CCCC1	ZINC000050430454	525997222	/nfs/dbraw/zinc/99/72/22/525997222.db2.gz	HJUVRJZQPTYOSJ-UHFFFAOYSA-N	0	3	257.337	2.337	10	30		CEEEHN
N#C[C@H](N)CCN1CCC(Cc2ccccc2)CC1	ZINC000062369522	526509231	/nfs/dbraw/zinc/50/92/31/526509231.db2.gz	SBDNYXLMVHCWMI-MRXNPFEDSA-N	0	3	257.381	2.182	10	30		CEEEHN
NCC#Cc1ccc(COC[C@@H]2CCCCO2)cc1	ZINC000049610754	527150256	/nfs/dbraw/zinc/15/02/56/527150256.db2.gz	STSRHHNVNLGEIB-INIZCTEOSA-N	0	3	259.349	2.083	10	30		CEEEHN
NCC#Cc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000049586353	527154489	/nfs/dbraw/zinc/15/44/89/527154489.db2.gz	XFSZRSAUGJIJCU-LXZKKBNFSA-N	0	3	282.387	2.049	10	30		CEEEHN
C#CC[C@H](N)c1csc(I)c1	ZINC000168682378	344480970	/nfs/dbraw/zinc/48/09/70/344480970.db2.gz	SEXSCYIGNVSFPR-ZETCQYMHSA-N	0	3	277.130	2.376	10	30		CEEEHN
N#Cc1cccc(C(=O)Nc2ccccc2CN)c1	ZINC000085810444	179177414	/nfs/dbraw/zinc/17/74/14/179177414.db2.gz	RPBUWRAYNFCKLX-UHFFFAOYSA-N	0	3	251.289	2.269	10	30		CEEEHN
Cc1nc(N2C[C@@H]3CCCCN3C[C@@H]2C)ccc1C#N	ZINC000336836470	365906445	/nfs/dbraw/zinc/90/64/45/365906445.db2.gz	KVRJHRNSJPERIC-WFASDCNBSA-N	0	3	270.380	2.325	10	30		CEEEHN
CC[C@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H](CC)CN1	ZINC000086447502	179295654	/nfs/dbraw/zinc/29/56/54/179295654.db2.gz	FGJLZMHHOGXZGT-GJZGRUSLSA-N	0	3	271.364	2.161	10	30		CEEEHN
CC(C)N1CCC(CC=O)(NC(=O)OC(C)(C)C)CC1	ZINC000616569400	348523468	/nfs/dbraw/zinc/52/34/68/348523468.db2.gz	TVQXTZFMDIMFFI-UHFFFAOYSA-N	0	3	284.400	2.343	10	30		CEEEHN
C=C(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](N)C1	ZINC000616571161	348524112	/nfs/dbraw/zinc/52/41/12/348524112.db2.gz	POMMKOQCJPUGBQ-KBPBESRZSA-N	0	3	262.328	2.045	10	30		CEEEHN
NCC#Cc1ccccc1OC[C@H]1Cc2ccccc2O1	ZINC000090876380	180052005	/nfs/dbraw/zinc/05/20/05/180052005.db2.gz	AVVREWXSPKHJFB-MRXNPFEDSA-N	0	3	279.339	2.379	10	30		CEEEHN
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1C#CCN	ZINC000091462537	180162720	/nfs/dbraw/zinc/16/27/20/180162720.db2.gz	ISVLTRJOMFUMSP-CZUORRHYSA-N	0	3	285.391	2.043	10	30		CEEEHN
CC[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1CCOC	ZINC000106116474	186102192	/nfs/dbraw/zinc/10/21/92/186102192.db2.gz	WHPDXYAVWOXCOE-QGZVFWFLSA-N	0	3	287.407	2.101	10	30		CEEEHN
COc1ccc([C@@H](C#N)NCCN(C)C)c(Cl)c1OC	ZINC000110830027	186327524	/nfs/dbraw/zinc/32/75/24/186327524.db2.gz	SGCBFGNCXNZWEJ-LLVKDONJSA-N	0	3	297.786	2.073	10	30		CEEEHN
C[C@@H]1CCC[C@@H](C)N1C(=O)c1sccc1C#CCN	ZINC000111540304	186426967	/nfs/dbraw/zinc/42/69/67/186426967.db2.gz	DJZQXUAMKKYPGE-VXGBXAGGSA-N	0	3	276.405	2.461	10	30		CEEEHN
Cc1nc2n(n1)CCC[C@@H]2NCC(C)(C)CCC#N	ZINC000083476045	363775965	/nfs/dbraw/zinc/77/59/65/363775965.db2.gz	STLLJWPUGDHVGP-LBPRGKRZSA-N	0	3	261.373	2.341	10	30		CEEEHN
C#Cc1ccc([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCCN24)cc1	ZINC000011873593	361367619	/nfs/dbraw/zinc/36/76/19/361367619.db2.gz	LTZNHARGOMEHGH-BQFCYCMXSA-N	0	3	280.371	2.036	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)c1nc(C)cc(C)c1C#N	ZINC000092631303	364090035	/nfs/dbraw/zinc/09/00/35/364090035.db2.gz	YAHPXRMCKGTDCS-CQSZACIVSA-N	0	3	272.396	2.491	10	30		CEEEHN
N#Cc1ccc(F)cc1CN1CCN2CCCC[C@@H]2C1	ZINC000160535090	367015577	/nfs/dbraw/zinc/01/55/77/367015577.db2.gz	SZAQVPGWAPHESN-MRXNPFEDSA-N	0	3	273.355	2.367	10	30		CEEEHN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCSCC#N	ZINC000245500065	370829598	/nfs/dbraw/zinc/82/95/98/370829598.db2.gz	ZJIGGQAVAGKZSY-MJBXVCDLSA-N	0	3	296.436	2.439	10	30		CEEEHN
CC[C@@H]1CC[C@H](C#N)[C@H](N2CCN3CCC[C@@H]3C2)C1	ZINC000094460544	184805497	/nfs/dbraw/zinc/80/54/97/184805497.db2.gz	GTCRDACCJRDNIL-KLHDSHLOSA-N	0	3	261.413	2.485	10	30		CEEEHN
N#Cc1nccn1-c1ccc(CNC2CC2)cc1F	ZINC000094937562	184897146	/nfs/dbraw/zinc/89/71/46/184897146.db2.gz	FMTNYIBQDAXMMC-UHFFFAOYSA-N	0	3	256.284	2.135	10	30		CEEEHN
CC1(C)CNCCN1c1nc(C(F)(F)F)ccc1C#N	ZINC000094337539	135086293	/nfs/dbraw/zinc/08/62/93/135086293.db2.gz	VCLHBFCRXATOAD-UHFFFAOYSA-N	0	3	284.285	2.160	10	30		CEEEHN
N#CC1(c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)CC1	ZINC000181515688	395219396	/nfs/dbraw/zinc/21/93/96/395219396.db2.gz	QSVZIMGAVXVTRN-MRXNPFEDSA-N	0	3	295.386	2.162	10	30		CEEEHN
CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(C#N)c1)CC2	ZINC000181938420	165360397	/nfs/dbraw/zinc/36/03/97/165360397.db2.gz	VRQGHPIZSGWMHJ-DOMZBBRYSA-N	0	3	295.390	2.378	10	30		CEEEHN
C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000246394709	287131870	/nfs/dbraw/zinc/13/18/70/287131870.db2.gz	JBTQQHXEGHDWOE-RVKKMQEKSA-N	0	3	299.418	2.272	10	30		CEEEHN
COc1ccc(C)cc1C(C#N)C(=O)[C@@H]1CCCO1	ZINC000037345854	173142827	/nfs/dbraw/zinc/14/28/27/173142827.db2.gz	GGWQVGNFQCVFQB-JSGCOSHPSA-N	0	3	259.305	2.359	10	30		CEEEHN
C#CCOc1ccc(Br)cc1CNC	ZINC000037487718	173229968	/nfs/dbraw/zinc/22/99/68/173229968.db2.gz	UIBJTZBKUWJWRX-UHFFFAOYSA-N	0	3	254.127	2.181	10	30		CEEEHN
COc1cccc(C=NNC(=N)N)c1OCc1ccccc1	ZINC000038155184	174134499	/nfs/dbraw/zinc/13/44/99/174134499.db2.gz	FUTHXZPXZNIIJM-GRSHGNNSSA-N	0	3	298.346	2.091	10	30		CEEEHN
CCN(CC(F)(F)F)C(=O)c1ccc(C#CCN)cc1	ZINC000042797817	174881817	/nfs/dbraw/zinc/88/18/17/174881817.db2.gz	CYXPKNDDYWBMIJ-UHFFFAOYSA-N	0	3	284.281	2.021	10	30		CEEEHN
OCCC#Cc1csc(CN2C[C@H]3CC[C@@H]2C3)c1	ZINC000043698629	175096750	/nfs/dbraw/zinc/09/67/50/175096750.db2.gz	SKCZXIWLCALGSN-GXTWGEPZSA-N	0	3	261.390	2.466	10	30		CEEEHN
COCCN(Cc1cc(C#CCO)cs1)CC(C)C	ZINC000043698636	175096870	/nfs/dbraw/zinc/09/68/70/175096870.db2.gz	UPRZYIUTWAVEFV-UHFFFAOYSA-N	0	3	281.421	2.196	10	30		CEEEHN
C[C@@H](CN1CCCC1)NC(=O)C1(C#N)CCCCCC1	ZINC000044766521	175249406	/nfs/dbraw/zinc/24/94/06/175249406.db2.gz	DZJUANPANLLAIE-AWEZNQCLSA-N	0	3	277.412	2.451	10	30		CEEEHN
N#CC1(C(=O)NCCN2CCCCC2)CCCCCC1	ZINC000044766826	175249708	/nfs/dbraw/zinc/24/97/08/175249708.db2.gz	VWQLHADNRFOVAU-UHFFFAOYSA-N	0	3	277.412	2.453	10	30		CEEEHN
CCC(C#N)(CC)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000044766755	175249764	/nfs/dbraw/zinc/24/97/64/175249764.db2.gz	WZKGPKUYFBKTRH-CYBMUJFWSA-N	0	3	267.417	2.409	10	30		CEEEHN
CC(C)N[C@@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O	ZINC000071041648	176028243	/nfs/dbraw/zinc/02/82/43/176028243.db2.gz	XLXUFAVPFDUFJD-CQSZACIVSA-N	0	3	275.327	2.191	10	30		CEEEHN
C=CCCOc1ccc(CNCCOC)cc1OC	ZINC000071274954	176106098	/nfs/dbraw/zinc/10/60/98/176106098.db2.gz	XHRRXDOSVUSRME-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
C=CCCCOc1cc([N+](=O)[O-])c(CN)cc1OC	ZINC000071274325	176106427	/nfs/dbraw/zinc/10/64/27/176106427.db2.gz	WKVRQRWOVSWGDS-UHFFFAOYSA-N	0	3	266.297	2.407	10	30		CEEEHN
CC(C)(C)CC(=O)NCc1cc(C#CCN)cs1	ZINC000071322474	176122800	/nfs/dbraw/zinc/12/28/00/176122800.db2.gz	JCISXMLXUPFGMB-UHFFFAOYSA-N	0	3	264.394	2.111	10	30		CEEEHN
Cc1ccc2c(c1)C(C#N)N(CCCCCO)C2=O	ZINC000071678059	176243032	/nfs/dbraw/zinc/24/30/32/176243032.db2.gz	GWPLNZSYPYEWGD-CQSZACIVSA-N	0	3	258.321	2.178	10	30		CEEEHN
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000249414057	261252447	/nfs/dbraw/zinc/25/24/47/261252447.db2.gz	YPYGBVHWWPDGBO-IIAWOOMASA-N	0	3	282.428	2.060	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2sccc2C#N)C1	ZINC000155641575	289179418	/nfs/dbraw/zinc/17/94/18/289179418.db2.gz	WIJXAYHDDOSZQM-PWSUYJOCSA-N	0	3	277.393	2.078	10	30		CEEEHN
C[C@H](C#N)CN[C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400464358	329708147	/nfs/dbraw/zinc/70/81/47/329708147.db2.gz	VQEMPZVOZPOCPL-AGIUHOORSA-N	0	3	281.400	2.381	10	30		CEEEHN
C=C[C@@H](C)Oc1cc(CNCCOC)ccc1[N+](=O)[O-]	ZINC000062733396	519293007	/nfs/dbraw/zinc/29/30/07/519293007.db2.gz	FHLBYGMDHULLJI-LLVKDONJSA-N	0	3	280.324	2.284	10	30		CEEEHN
CCC[C@H](C)C(=O)NCc1ccccc1C#CCN	ZINC000049586373	521003395	/nfs/dbraw/zinc/00/33/95/521003395.db2.gz	NKUFQWHTVNBXLX-ZDUSSCGKSA-N	0	3	258.365	2.049	10	30		CEEEHN
C=C(Br)CN[C@H](C)CN1CCCCC1	ZINC000049501431	518585778	/nfs/dbraw/zinc/58/57/78/518585778.db2.gz	HTKKUHRRCZMNBY-LLVKDONJSA-N	0	3	261.207	2.359	10	30		CEEEHN
CCOc1cc(CNCCOC)ccc1O[C@H](C)C#N	ZINC000062731248	520716280	/nfs/dbraw/zinc/71/62/80/520716280.db2.gz	CBVCFLZJQBLKQC-GFCCVEGCSA-N	0	3	278.352	2.112	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1ccc(C#CCN)s1	ZINC000069461764	521296585	/nfs/dbraw/zinc/29/65/85/521296585.db2.gz	FNWZFBRQAVWUQV-UHFFFAOYSA-N	0	3	264.394	2.319	10	30		CEEEHN
CCc1cccc(NC(=O)c2cncc(C#CCN)c2)c1	ZINC000049629373	521767926	/nfs/dbraw/zinc/76/79/26/521767926.db2.gz	GNXMHFWSPHKQKD-UHFFFAOYSA-N	0	3	279.343	2.207	10	30		CEEEHN
CN(C)C[C@H]1CCCN1C(=O)C1(C#N)CCCCC1	ZINC000061645837	521861229	/nfs/dbraw/zinc/86/12/29/521861229.db2.gz	WCRXMTXBMHKYIR-CYBMUJFWSA-N	0	3	263.385	2.013	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1cc(C#CCN)ccc1F	ZINC000049105833	522357764	/nfs/dbraw/zinc/35/77/64/522357764.db2.gz	KRKBSCSMANGXJV-NEPJUHHUSA-N	0	3	276.355	2.300	10	30		CEEEHN
CN(Cc1ccncc1)Cc1ccc(F)cc1C#CCN	ZINC000049609303	523461695	/nfs/dbraw/zinc/46/16/95/523461695.db2.gz	CKAVMCMTYZOFTJ-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
COCCN(C)CCNc1ccc(Cl)cc1C#N	ZINC000061379465	523614498	/nfs/dbraw/zinc/61/44/98/523614498.db2.gz	FCLUMRCWAHRLCP-UHFFFAOYSA-N	0	3	267.760	2.202	10	30		CEEEHN
CN(C(=O)c1cncc(C#CCN)c1)C1CCCCCC1	ZINC000049629464	523959206	/nfs/dbraw/zinc/95/92/06/523959206.db2.gz	FBIKQNQRODHNMH-UHFFFAOYSA-N	0	3	285.391	2.187	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)s2)[C@H]1C	ZINC000050568542	524209345	/nfs/dbraw/zinc/20/93/45/524209345.db2.gz	LLLUGCBHFRYQJR-NEPJUHHUSA-N	0	3	276.405	2.319	10	30		CEEEHN
C[C@H]1CCN(Cc2ccc(F)c(C#CCCO)c2)C1	ZINC000049613641	524294044	/nfs/dbraw/zinc/29/40/44/524294044.db2.gz	NIRFKWNKZVLSPH-ZDUSSCGKSA-N	0	3	261.340	2.401	10	30		CEEEHN
Cc1ccccc1C(=O)NCc1cccc(C#CCN)c1	ZINC000049586518	525058722	/nfs/dbraw/zinc/05/87/22/525058722.db2.gz	DKZDTSKENKWYDP-UHFFFAOYSA-N	0	3	278.355	2.235	10	30		CEEEHN
N#Cc1c(F)cccc1NC(=O)[C@@H](CN)c1ccccc1	ZINC000061611498	526523925	/nfs/dbraw/zinc/52/39/25/526523925.db2.gz	FTOHYZXAFYQXAD-LBPRGKRZSA-N	0	3	283.306	2.378	10	30		CEEEHN
N#Cc1cc(CN2CCNCc3ccccc32)ccn1	ZINC000068757839	526549460	/nfs/dbraw/zinc/54/94/60/526549460.db2.gz	KPYRTARHIVGHPM-UHFFFAOYSA-N	0	3	264.332	2.063	10	30		CEEEHN
Cc1nc(NC(=O)c2cccc(C#CCN)c2)sc1C	ZINC000049105915	526993534	/nfs/dbraw/zinc/99/35/34/526993534.db2.gz	LWVWYDMQYVLKGM-UHFFFAOYSA-N	0	3	285.372	2.322	10	30		CEEEHN
NCC#Cc1cccc(Cn2cnc3ccccc32)c1	ZINC000049610106	527153478	/nfs/dbraw/zinc/15/34/78/527153478.db2.gz	RWVKNHQBTXTCAS-UHFFFAOYSA-N	0	3	261.328	2.395	10	30		CEEEHN
NCC#Cc1ccccc1C(=O)NCCc1ccsc1	ZINC000049189237	527153794	/nfs/dbraw/zinc/15/37/94/527153794.db2.gz	NOAVNHPEKSKCAB-UHFFFAOYSA-N	0	3	284.384	2.031	10	30		CEEEHN
Cc1ncsc1C(=O)N(C)Cc1ccccc1C#CCN	ZINC000049586853	527474740	/nfs/dbraw/zinc/47/47/40/527474740.db2.gz	WKHMMBJMKZEZBP-UHFFFAOYSA-N	0	3	299.399	2.034	10	30		CEEEHN
COC(=O)N[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C	ZINC000108624195	642359123	/nfs/dbraw/zinc/35/91/23/642359123.db2.gz	PRFCBCHHFUBOFU-VHSXEESVSA-N	0	3	295.364	2.008	10	30		CEEEHN
C[C@@H](C#N)Oc1ccc(Br)cc1CN	ZINC000043513357	362147200	/nfs/dbraw/zinc/14/72/00/362147200.db2.gz	OSOMUAHBBFZDKY-ZETCQYMHSA-N	0	3	255.115	2.199	10	30		CEEEHN
N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccn1	ZINC000253092753	344642787	/nfs/dbraw/zinc/64/27/87/344642787.db2.gz	LKOXVIRYCKWPPX-BRWVUGGUSA-N	0	3	285.391	2.469	10	30		CEEEHN
Cc1cc(NCc2ccc3c(c2)CNC3)cc(C#N)n1	ZINC000308246745	344726955	/nfs/dbraw/zinc/72/69/55/344726955.db2.gz	YZDJRQIGBFVWKN-UHFFFAOYSA-N	0	3	264.332	2.477	10	30		CEEEHN
Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C#CCN	ZINC000306269515	344712920	/nfs/dbraw/zinc/71/29/20/344712920.db2.gz	MPCSESRDRJHBJN-UHFFFAOYSA-N	0	3	290.322	2.106	10	30		CEEEHN
COC(=O)c1ccc(CO/N=C2\CN3CCC2CC3)cc1	ZINC000584660159	344974686	/nfs/dbraw/zinc/97/46/86/344974686.db2.gz	MCRHTSHHQYQGEJ-BMRADRMJSA-N	0	3	288.347	2.071	10	30		CEEEHN
C=C(C)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000128476421	187372955	/nfs/dbraw/zinc/37/29/55/187372955.db2.gz	HAFFDCHOCKKSRR-NSHDSACASA-N	0	3	253.367	2.317	10	30		CEEEHN
CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H](CC)CN1	ZINC000086447499	179295922	/nfs/dbraw/zinc/29/59/22/179295922.db2.gz	FGJLZMHHOGXZGT-CABCVRRESA-N	0	3	271.364	2.161	10	30		CEEEHN
C[C@H](CCO)SCc1ccc(C#CCN)cc1F	ZINC000091266321	180117067	/nfs/dbraw/zinc/11/70/67/180117067.db2.gz	MQJHKRAFZKSEOR-LLVKDONJSA-N	0	3	267.369	2.140	10	30		CEEEHN
Cc1cccc(NC(=O)c2ccncc2C#CCN)c1C	ZINC000091461152	180161586	/nfs/dbraw/zinc/16/15/86/180161586.db2.gz	WNALSUQVTONDEQ-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
CC1(C)C(C(=O)Nc2ncc(C#CCN)s2)C1(C)C	ZINC000091492980	180170505	/nfs/dbraw/zinc/17/05/05/180170505.db2.gz	GPSPJYDQKJZRIZ-UHFFFAOYSA-N	0	3	277.393	2.074	10	30		CEEEHN
Cc1ncccc1NC(=O)c1cc(F)ccc1C#CCN	ZINC000091497952	180173022	/nfs/dbraw/zinc/17/30/22/180173022.db2.gz	YCORMQXHOJDCMK-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
Cc1ccc(C#N)c(NC[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000091670595	180224076	/nfs/dbraw/zinc/22/40/76/180224076.db2.gz	KYCFMSZCDMBRNN-HUUCEWRRSA-N	0	3	271.364	2.142	10	30		CEEEHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@@H](C)C2)CC1	ZINC000106275432	186106470	/nfs/dbraw/zinc/10/64/70/186106470.db2.gz	GQGINDFHUAWODU-ZDUSSCGKSA-N	0	3	297.468	2.174	10	30		CEEEHN
Cc1cc(NC(=O)c2ccc(F)cc2C#CCN)ccn1	ZINC000092365946	180369123	/nfs/dbraw/zinc/36/91/23/180369123.db2.gz	OJJWTYCAUKHQFD-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1cccc(Br)c1	ZINC000092473746	180392934	/nfs/dbraw/zinc/39/29/34/180392934.db2.gz	NMXPQDHSJKDDFL-SNVBAGLBSA-N	0	3	297.196	2.402	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1cccc(OC(C)C)c1	ZINC000092473968	180393702	/nfs/dbraw/zinc/39/37/02/180393702.db2.gz	CZJFHAQOZIUOSR-CYBMUJFWSA-N	0	3	276.380	2.427	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@H]1c1ccccc1C	ZINC000092474878	180393911	/nfs/dbraw/zinc/39/39/11/180393911.db2.gz	GQYNESZKZSIFJV-HNNXBMFYSA-N	0	3	258.365	2.434	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccccc2C#CCN)CC1	ZINC000110817751	186327297	/nfs/dbraw/zinc/32/72/97/186327297.db2.gz	YYLNRGBZWFFLDK-CQSZACIVSA-N	0	3	270.376	2.259	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCN1CCN(C)C(C)(C)C1	ZINC000110737486	186318859	/nfs/dbraw/zinc/31/88/59/186318859.db2.gz	MVGFTEZCDYEXEK-INIZCTEOSA-N	0	3	280.460	2.074	10	30		CEEEHN
COCC#CCN[C@@H](C)c1ccc(OC)c(OC)c1	ZINC000678758760	541169441	/nfs/dbraw/zinc/16/94/41/541169441.db2.gz	FUBBPDDVISQXBT-LBPRGKRZSA-N	0	3	263.337	2.004	10	30		CEEEHN
C#CCN(C(=O)N[C@@H]1CCCN(CC)C1)C1CCCC1	ZINC000164543718	367288478	/nfs/dbraw/zinc/28/84/78/367288478.db2.gz	PPJANJWGZVOVLB-CQSZACIVSA-N	0	3	277.412	2.058	10	30		CEEEHN
C[C@@H]1CN2CCC[C@H]2CN1c1ncc(C#N)cc1Cl	ZINC000246790200	371010183	/nfs/dbraw/zinc/01/01/83/371010183.db2.gz	RHCPLYPACIMUIS-PWSUYJOCSA-N	0	3	276.771	2.280	10	30		CEEEHN
CCN1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1	ZINC000389478181	375303180	/nfs/dbraw/zinc/30/31/80/375303180.db2.gz	WSGOYYPBTQGGNS-SNVBAGLBSA-N	0	3	284.285	2.478	10	30		CEEEHN
C[C@H]1CCC[C@@](N)(C(=O)Nc2ccc(C#N)cc2)C1	ZINC000080906516	177725907	/nfs/dbraw/zinc/72/59/07/177725907.db2.gz	XFUCGBBEOMRRDR-NHYWBVRUSA-N	0	3	257.337	2.404	10	30		CEEEHN
N#Cc1cc2ccccc2nc1N1CCN2CCC[C@@H]2C1	ZINC000094267052	135084329	/nfs/dbraw/zinc/08/43/29/135084329.db2.gz	NKAZGSTYKKHEAQ-OAHLLOKOSA-N	0	3	278.359	2.391	10	30		CEEEHN
CCOCCN1CCN(CC(C)(C)CCC#N)C[C@@H]1C	ZINC000120907129	394788290	/nfs/dbraw/zinc/78/82/90/394788290.db2.gz	KKVBEPRKYKOMEQ-HNNXBMFYSA-N	0	3	281.444	2.359	10	30		CEEEHN
C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1cccs1	ZINC000182410513	395240428	/nfs/dbraw/zinc/24/04/28/395240428.db2.gz	UXIGEFMQFKKSHY-GFCCVEGCSA-N	0	3	290.392	2.055	10	30		CEEEHN
CC(C)c1nnc2n1C[C@H](NCc1cccc(C#N)c1)CC2	ZINC000195405001	153287007	/nfs/dbraw/zinc/28/70/07/153287007.db2.gz	MFOSXVIOLVTZDC-OAHLLOKOSA-N	0	3	295.390	2.378	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1	ZINC000177101338	165185995	/nfs/dbraw/zinc/18/59/95/165185995.db2.gz	FDBNTVMNWQPEPI-MRXNPFEDSA-N	0	3	266.348	2.419	10	30		CEEEHN
CC(C)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000037385999	173169267	/nfs/dbraw/zinc/16/92/67/173169267.db2.gz	AMCPKQCJXGFHHU-UHFFFAOYSA-N	0	3	251.717	2.148	10	30		CEEEHN
CCNC1(C#N)CCN(CCc2ccccc2)CC1	ZINC000037527518	173251360	/nfs/dbraw/zinc/25/13/60/173251360.db2.gz	RGEXUTJCSIUXTI-UHFFFAOYSA-N	0	3	257.381	2.197	10	30		CEEEHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(CC)cc1	ZINC000037980727	173940350	/nfs/dbraw/zinc/94/03/50/173940350.db2.gz	HRJANQFYJWRNEK-QWHCGFSZSA-N	0	3	258.365	2.038	10	30		CEEEHN
N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCNCC1	ZINC000040165745	174197551	/nfs/dbraw/zinc/19/75/51/174197551.db2.gz	GHIYDNADUTUQJV-UHFFFAOYSA-N	0	3	288.738	2.276	10	30		CEEEHN
CC[C@H]1CO[C@H](C)CN1Cc1ccc(C#CCN)s1	ZINC000043683976	175092009	/nfs/dbraw/zinc/09/20/09/175092009.db2.gz	IEEANJQYYGGUBS-OLZOCXBDSA-N	0	3	278.421	2.058	10	30		CEEEHN
CN(Cc1ccco1)Cc1sccc1C#CCN	ZINC000043683682	175092068	/nfs/dbraw/zinc/09/20/68/175092068.db2.gz	XRPTVWAHWAUTIO-UHFFFAOYSA-N	0	3	260.362	2.283	10	30		CEEEHN
Cc1nn(Cc2cc(C#CCN)cs2)c(C)c1C	ZINC000043689203	175096334	/nfs/dbraw/zinc/09/63/34/175096334.db2.gz	RWFOYWGUVNIAHY-UHFFFAOYSA-N	0	3	259.378	2.228	10	30		CEEEHN
CC(C)[C@@H](CN(C)C)NC(=O)C1(C#N)CCCCC1	ZINC000044766576	175249513	/nfs/dbraw/zinc/24/95/13/175249513.db2.gz	SXGFANIOSBXMOU-CYBMUJFWSA-N	0	3	265.401	2.163	10	30		CEEEHN
N#Cc1ccc(N2CC[C@@H](NC3CC3)C2=O)cc1Cl	ZINC000071039540	176027195	/nfs/dbraw/zinc/02/71/95/176027195.db2.gz	ZBVBFWJDGHNMKF-CYBMUJFWSA-N	0	3	275.739	2.069	10	30		CEEEHN
C[C@H]1CCCCN1Cc1ccc(F)cc1/C(N)=N/O	ZINC000071266692	176100681	/nfs/dbraw/zinc/10/06/81/176100681.db2.gz	ANFCWQKKKJRDHN-JTQLQIEISA-N	0	3	265.332	2.295	10	30		CEEEHN
C[C@@H](c1cccc(C#CCN)c1)N1CCCCCC1=O	ZINC000071278328	176107830	/nfs/dbraw/zinc/10/78/30/176107830.db2.gz	IETMSSGFJPQVGS-AWEZNQCLSA-N	0	3	270.376	2.460	10	30		CEEEHN
CC[C@H](C#N)Oc1ccc(C)cc1CNCCOC	ZINC000071407431	176156308	/nfs/dbraw/zinc/15/63/08/176156308.db2.gz	VJEWYWPXTSZXKH-CQSZACIVSA-N	0	3	262.353	2.412	10	30		CEEEHN
N#Cc1cccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1F	ZINC000399006251	268248615	/nfs/dbraw/zinc/24/86/15/268248615.db2.gz	OUVXJJRYVUXOEN-CFVMTHIKSA-N	0	3	274.339	2.290	10	30		CEEEHN
N#Cc1ccc([C@H](NC2CCCCCC2)C(N)=O)cc1	ZINC000037970575	294944308	/nfs/dbraw/zinc/94/43/08/294944308.db2.gz	MAXIDCJTPDYYIF-HNNXBMFYSA-N	0	3	271.364	2.397	10	30		CEEEHN
C=CCCC[C@H](C)NC(=O)N1CCN2CCC[C@@H]2C1	ZINC000181119188	329226550	/nfs/dbraw/zinc/22/65/50/329226550.db2.gz	UOHKPAFKTXWBFI-UONOGXRCSA-N	0	3	265.401	2.221	10	30		CEEEHN
C=CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000186023420	329335924	/nfs/dbraw/zinc/33/59/24/329335924.db2.gz	MVUDYFNNVUHOOS-AVGNSLFASA-N	0	3	266.385	2.408	10	30		CEEEHN
CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1	ZINC000424083618	330222378	/nfs/dbraw/zinc/22/23/78/330222378.db2.gz	NFBJBKDYBYOALD-ZIAGYGMSSA-N	0	3	259.353	2.275	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N1CCN([C@@H](C)CC)CC1	ZINC000068614991	520102685	/nfs/dbraw/zinc/10/26/85/520102685.db2.gz	GATUIHQXWVJPFO-ULQDDVLXSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCCC[C@@H](C)NC(=O)c1cc(F)ccc1C#CCN	ZINC000050890998	521006266	/nfs/dbraw/zinc/00/62/66/521006266.db2.gz	HPCJYLFJXOUWFX-GFCCVEGCSA-N	0	3	276.355	2.444	10	30		CEEEHN
CCN(Cc1nc(NN)ccc1Cl)C[C@H](C)C#N	ZINC000061638528	521451649	/nfs/dbraw/zinc/45/16/49/521451649.db2.gz	URNPJCSIBCPGAP-SECBINFHSA-N	0	3	267.764	2.002	10	30		CEEEHN
C#CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)NCC	ZINC000062746835	518284073	/nfs/dbraw/zinc/28/40/73/518284073.db2.gz	RTEXCZSTYQGIDU-NEPJUHHUSA-N	0	3	292.354	2.013	10	30		CEEEHN
C=CCNC(=O)COc1cc(F)ccc1[C@H](C)NCC	ZINC000062746952	518894156	/nfs/dbraw/zinc/89/41/56/518894156.db2.gz	QAPXYTSMXZLDET-NSHDSACASA-N	0	3	280.343	2.177	10	30		CEEEHN
CC(C)CN(CCC#N)Cc1nc(NN)ccc1Cl	ZINC000061631271	519715004	/nfs/dbraw/zinc/71/50/04/519715004.db2.gz	HNYNDMMXIGMXBG-UHFFFAOYSA-N	0	3	281.791	2.392	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613178	520032390	/nfs/dbraw/zinc/03/23/90/520032390.db2.gz	HIYBRZDEMFDZRU-NVXWUHKLSA-N	0	3	294.487	2.463	10	30		CEEEHN
CCC[C@@H](C)C(=O)NCc1cc(C#CCN)ccc1F	ZINC000049586994	520613824	/nfs/dbraw/zinc/61/38/24/520613824.db2.gz	VNFYDJCHHQUVSM-GFCCVEGCSA-N	0	3	276.355	2.188	10	30		CEEEHN
CCOC(=O)N1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000054824406	520930918	/nfs/dbraw/zinc/93/09/18/520930918.db2.gz	FBIABURFRAODDN-OCCSQVGLSA-N	0	3	279.384	2.279	10	30		CEEEHN
CCN(Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCO1	ZINC000049613765	521296111	/nfs/dbraw/zinc/29/61/11/521296111.db2.gz	HBFJLVYUJYOBTO-SFHVURJKSA-N	0	3	287.403	2.421	10	30		CEEEHN
CCOC1CCN([C@H](C)C[C@](C)(C#N)NC2CC2)CC1	ZINC000068612029	521656766	/nfs/dbraw/zinc/65/67/66/521656766.db2.gz	WOOQYCVZCIEFAN-CZUORRHYSA-N	0	3	279.428	2.300	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1)Cc1ccccn1	ZINC000049609242	523205115	/nfs/dbraw/zinc/20/51/15/523205115.db2.gz	VKWNOQKCKVJTPY-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
CN(Cc1cccnc1)Cc1ccc(C#CCN)cc1F	ZINC000049609285	523417166	/nfs/dbraw/zinc/41/71/66/523417166.db2.gz	UFJVFACUFQTZED-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
CC[C@@H]1CN([C@@H](C)C[C@@](C)(C#N)NC(C)C)CCN1C	ZINC000068616395	523464785	/nfs/dbraw/zinc/46/47/85/523464785.db2.gz	IIIBMSBWFZUVSU-XHSDSOJGSA-N	0	3	280.460	2.071	10	30		CEEEHN
COCCNCc1cc(Cl)ccc1O[C@@H](C)C#N	ZINC000062731116	523948475	/nfs/dbraw/zinc/94/84/75/523948475.db2.gz	XNTWLZOWBKJAEC-JTQLQIEISA-N	0	3	268.744	2.367	10	30		CEEEHN
COCCNCc1cccc(OC)c1OCCCC#N	ZINC000062732395	523954673	/nfs/dbraw/zinc/95/46/73/523954673.db2.gz	XBKCGBYRJNLBKZ-UHFFFAOYSA-N	0	3	278.352	2.114	10	30		CEEEHN
C[C@@H](CN1CCCCC1)NC(=O)[C@H](C#N)c1ccccc1	ZINC000061614946	524604666	/nfs/dbraw/zinc/60/46/66/524604666.db2.gz	RYADIAUAKZVDLQ-GOEBONIOSA-N	0	3	285.391	2.284	10	30		CEEEHN
Cc1ccc(F)cc1C(=O)Nc1cccc(C#CCN)n1	ZINC000062666864	524846969	/nfs/dbraw/zinc/84/69/69/524846969.db2.gz	WYSGIZUPSFQUDC-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
Cc1ccc([C@H](C)NC(=O)c2cncc(C#CCN)c2)s1	ZINC000049629662	525915440	/nfs/dbraw/zinc/91/54/40/525915440.db2.gz	GKCNGHRDRHULHU-LBPRGKRZSA-N	0	3	299.399	2.253	10	30		CEEEHN
N#Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)ccn1	ZINC000068753304	526550116	/nfs/dbraw/zinc/55/01/16/526550116.db2.gz	QOKGMYPJPQAWBK-UHFFFAOYSA-N	0	3	282.303	2.194	10	30		CEEEHN
NCC#Cc1cccc(CN2CCCCCCC2=O)c1	ZINC000049610003	527151617	/nfs/dbraw/zinc/15/16/17/527151617.db2.gz	NYVLQQRBTQLAQM-UHFFFAOYSA-N	0	3	270.376	2.290	10	30		CEEEHN
NCC#Cc1cccc(COC[C@@H]2CCCCO2)c1	ZINC000049610764	527153724	/nfs/dbraw/zinc/15/37/24/527153724.db2.gz	KJJLVXDBLHEJDI-INIZCTEOSA-N	0	3	259.349	2.083	10	30		CEEEHN
C[C@H]1CN2CCCC[C@@H]2CN1c1ccnc(C#N)c1	ZINC000094447247	628847461	/nfs/dbraw/zinc/84/74/61/628847461.db2.gz	AQQZLPPSKFOMGD-SWLSCSKDSA-N	0	3	256.353	2.016	10	30		CEEEHN
Cc1ccc(C#CCN)c(N2C(=O)c3ccccc3C2=O)c1	ZINC000306875302	344718256	/nfs/dbraw/zinc/71/82/56/344718256.db2.gz	GYBBRAUTKQVPJO-UHFFFAOYSA-N	0	3	290.322	2.106	10	30		CEEEHN
CCC1CCC(NC(=O)[C@H](N)CCCCC#N)CC1	ZINC000594427354	345626664	/nfs/dbraw/zinc/62/66/64/345626664.db2.gz	IMTCRLGPOMDAPC-JXQTWKCFSA-N	0	3	265.401	2.483	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(F)cc1C#CCN	ZINC000086081139	179227461	/nfs/dbraw/zinc/22/74/61/179227461.db2.gz	KWKLFJHTTHVLGF-OZVIIMIRSA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CCN)c(F)c2)[C@@H]1C	ZINC000086081132	179227569	/nfs/dbraw/zinc/22/75/69/179227569.db2.gz	CZMXGLUSRUEFRX-XHBSWPGZSA-N	0	3	288.366	2.300	10	30		CEEEHN
COC(=O)CCCNC1CC(C#N)(c2ccccc2)C1	ZINC000086037166	179221714	/nfs/dbraw/zinc/22/17/14/179221714.db2.gz	JQLWXLDTYLWQGH-UHFFFAOYSA-N	0	3	272.348	2.153	10	30		CEEEHN
C=C(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@H](N)C1	ZINC000616571167	348524133	/nfs/dbraw/zinc/52/41/33/348524133.db2.gz	POMMKOQCJPUGBQ-UONOGXRCSA-N	0	3	262.328	2.045	10	30		CEEEHN
C[C@@H](OCCOc1cccc(C#CCN)c1)C(F)(F)F	ZINC000090673655	180021851	/nfs/dbraw/zinc/02/18/51/180021851.db2.gz	SRYHYEFHIRLLFA-LLVKDONJSA-N	0	3	287.281	2.343	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1	ZINC000090985721	180080762	/nfs/dbraw/zinc/08/07/62/180080762.db2.gz	MHEQPRKWAPFENB-QGZVFWFLSA-N	0	3	276.339	2.275	10	30		CEEEHN
COCCNCc1cn(CCCC#N)c2ncccc12	ZINC000091021217	180088740	/nfs/dbraw/zinc/08/87/40/180088740.db2.gz	JMFMPPJHJIEZED-UHFFFAOYSA-N	0	3	272.352	2.076	10	30		CEEEHN
COc1ccc(C#CCN)c(CS[C@@H](C)CCO)c1	ZINC000091266323	180116897	/nfs/dbraw/zinc/11/68/97/180116897.db2.gz	CWYLBLPHDXNDAJ-LBPRGKRZSA-N	0	3	279.405	2.010	10	30		CEEEHN
Cc1ccc(NC(=O)c2ccncc2C#CCN)c(F)c1	ZINC000091461639	180161733	/nfs/dbraw/zinc/16/17/33/180161733.db2.gz	JJIQXINKNQAQNO-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCN(CC)C(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000091962377	180293016	/nfs/dbraw/zinc/29/30/16/180293016.db2.gz	CIKGAPOFFHXCQK-CYBMUJFWSA-N	0	3	273.380	2.109	10	30		CEEEHN
CCNCc1nc(C)ccc1OCc1cccnc1C#N	ZINC000091994748	180301604	/nfs/dbraw/zinc/30/16/04/180301604.db2.gz	RZQKNGDKIZOMCX-UHFFFAOYSA-N	0	3	282.347	2.345	10	30		CEEEHN
C[C@H]1CN(Cc2ccc(F)c(C#CCO)c2)C[C@@H]1C	ZINC000092087038	180321043	/nfs/dbraw/zinc/32/10/43/180321043.db2.gz	MQIJZKKCAXDFJZ-STQMWFEESA-N	0	3	261.340	2.257	10	30		CEEEHN
CCOCCN1CCN(CCCCC#N)C[C@@H]1CC	ZINC000105838582	186077544	/nfs/dbraw/zinc/07/75/44/186077544.db2.gz	IMIFOLYAQSYJDA-HNNXBMFYSA-N	0	3	267.417	2.113	10	30		CEEEHN
Cc1cccc(COc2ccc(F)cc2C#CCN)n1	ZINC000092431826	180384375	/nfs/dbraw/zinc/38/43/75/180384375.db2.gz	DDFGHVGHDVVDQK-UHFFFAOYSA-N	0	3	270.307	2.418	10	30		CEEEHN
CC[C@@H]1CN(CCCC[C@@](C)(C#N)NC(C)C)CCN1C	ZINC000110737338	186319028	/nfs/dbraw/zinc/31/90/28/186319028.db2.gz	YWNDRLUVFGEYML-SJORKVTESA-N	0	3	294.487	2.463	10	30		CEEEHN
Cc1cc(C)c2ncc(C#N)c(N3CCNCC3)c2c1	ZINC000072236947	363122457	/nfs/dbraw/zinc/12/24/57/363122457.db2.gz	PUCDOPMQCRWPCC-UHFFFAOYSA-N	0	3	266.348	2.133	10	30		CEEEHN
CCC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N(C)C	ZINC000135133040	366399695	/nfs/dbraw/zinc/39/96/95/366399695.db2.gz	DLWBPSHYFGYREK-HNNXBMFYSA-N	0	3	273.380	2.247	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1Cc1cc(C#N)cs1	ZINC000093437657	364181354	/nfs/dbraw/zinc/18/13/54/364181354.db2.gz	LATLCJBVGHPXJS-DGCLKSJQSA-N	0	3	261.394	2.288	10	30		CEEEHN
C=CCOc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1	ZINC000171081506	367473212	/nfs/dbraw/zinc/47/32/12/367473212.db2.gz	JKDLMHCYPDEWHW-AWEZNQCLSA-N	0	3	289.379	2.419	10	30		CEEEHN
Cc1cc(C#CCN)cc(N2C(=O)c3ccccc3C2=O)c1	ZINC000306724552	376553374	/nfs/dbraw/zinc/55/33/74/376553374.db2.gz	IUTKUVONZIJVDI-UHFFFAOYSA-N	0	3	290.322	2.106	10	30		CEEEHN
C#CCNC(=O)CNc1c2ccccc2nc(C)c1CC	ZINC000302715109	379433264	/nfs/dbraw/zinc/43/32/64/379433264.db2.gz	FNZPYOLVRBPQAK-UHFFFAOYSA-N	0	3	281.359	2.267	10	30		CEEEHN
C#CCNC(=O)CNc1cc(CCC)nc2ccccc21	ZINC000302736366	379440624	/nfs/dbraw/zinc/44/06/24/379440624.db2.gz	OYAOUWZYEXQDJN-UHFFFAOYSA-N	0	3	281.359	2.349	10	30		CEEEHN
CC1(C)CCCN1C(=O)c1csc(C#CCN)c1	ZINC000093976445	184747043	/nfs/dbraw/zinc/74/70/43/184747043.db2.gz	DZQKAQCTENUYCA-UHFFFAOYSA-N	0	3	262.378	2.073	10	30		CEEEHN
COc1ncccc1COc1ccc(F)cc1C#CCN	ZINC000095009850	184914338	/nfs/dbraw/zinc/91/43/38/184914338.db2.gz	IZDROULTDGKMJH-UHFFFAOYSA-N	0	3	286.306	2.119	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)c1nc(C)cc(C)c1C#N	ZINC000092631305	394661923	/nfs/dbraw/zinc/66/19/23/394661923.db2.gz	YAHPXRMCKGTDCS-AWEZNQCLSA-N	0	3	272.396	2.491	10	30		CEEEHN
CN(C)CCN[C@@H](C#N)c1ccccc1C(F)(F)F	ZINC000020176335	171042545	/nfs/dbraw/zinc/04/25/45/171042545.db2.gz	MOBQQONQCPSARX-LBPRGKRZSA-N	0	3	271.286	2.421	10	30		CEEEHN
CC(C)Oc1cccc([C@H](C#N)NCCN(C)C)c1	ZINC000020176802	171042942	/nfs/dbraw/zinc/04/29/42/171042942.db2.gz	GMCPBIJHUOTXQD-HNNXBMFYSA-N	0	3	261.369	2.190	10	30		CEEEHN
CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000037508808	173242643	/nfs/dbraw/zinc/24/26/43/173242643.db2.gz	IKGIUBGQIDHEDE-UHIISALHSA-N	0	3	259.353	2.109	10	30		CEEEHN
NCC#Cc1cc(F)ccc1OCc1ccccn1	ZINC000037548076	173264954	/nfs/dbraw/zinc/26/49/54/173264954.db2.gz	LOWORKOAFMSGEM-UHFFFAOYSA-N	0	3	256.280	2.110	10	30		CEEEHN
CC(C)CN(CCN(C)C)c1ccc(C#N)cc1N	ZINC000042740796	174862736	/nfs/dbraw/zinc/86/27/36/174862736.db2.gz	HYXVXYATXBIKSH-UHFFFAOYSA-N	0	3	260.385	2.164	10	30		CEEEHN
N#CCCN(Cc1cccnc1)[C@H](CN)c1ccco1	ZINC000043334578	175010446	/nfs/dbraw/zinc/01/04/46/175010446.db2.gz	VMBCBDILCUYPDZ-CQSZACIVSA-N	0	3	270.336	2.090	10	30		CEEEHN
N#Cc1c(F)cccc1O[C@@H](CN)c1ccccn1	ZINC000043343819	175016308	/nfs/dbraw/zinc/01/63/08/175016308.db2.gz	VGGIVQOHIWNWPW-AWEZNQCLSA-N	0	3	257.268	2.171	10	30		CEEEHN
CCCCN(CCO)Cc1sccc1C#CCCO	ZINC000043678230	175089252	/nfs/dbraw/zinc/08/92/52/175089252.db2.gz	KMSCETRPBMKVCY-UHFFFAOYSA-N	0	3	281.421	2.076	10	30		CEEEHN
CC[C@@H]1CO[C@H](C)CN1Cc1sccc1C#CCN	ZINC000043683982	175091822	/nfs/dbraw/zinc/09/18/22/175091822.db2.gz	XOCYGZSFEBVBFR-TZMCWYRMSA-N	0	3	278.421	2.058	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCc1ccco1	ZINC000044808738	175257711	/nfs/dbraw/zinc/25/77/11/175257711.db2.gz	KETSNKNCDLVNFY-ZDUSSCGKSA-N	0	3	254.289	2.278	10	30		CEEEHN
CN(C[C@@H]1CCCO1)C(=O)C(C#N)Cc1ccccc1	ZINC000044824480	175259161	/nfs/dbraw/zinc/25/91/61/175259161.db2.gz	SSANITUTALOSOO-GJZGRUSLSA-N	0	3	272.348	2.006	10	30		CEEEHN
CCC[C@H](C#N)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000044825885	175259449	/nfs/dbraw/zinc/25/94/49/175259449.db2.gz	VUPUXEZIGFCQSA-CHWSQXEVSA-N	0	3	253.390	2.019	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H]1C2	ZINC000044826132	175259471	/nfs/dbraw/zinc/25/94/71/175259471.db2.gz	MUMRKEMLSHLUHP-RRFJBIMHSA-N	0	3	254.333	2.380	10	30		CEEEHN
Cc1ccc(C#N)cc1N1CCC[C@@H](NC2CC2)C1=O	ZINC000071042256	176028635	/nfs/dbraw/zinc/02/86/35/176028635.db2.gz	KIMBJEDWLYURAB-CQSZACIVSA-N	0	3	269.348	2.114	10	30		CEEEHN
COCCN(CCC#N)[C@H](CN)c1ccc(Cl)cc1	ZINC000071222459	176087946	/nfs/dbraw/zinc/08/79/46/176087946.db2.gz	BHTBYZIGOWIDEP-CQSZACIVSA-N	0	3	281.787	2.202	10	30		CEEEHN
C[C@H](Cc1cccs1)NC(=O)c1ccc(C#CCN)cc1	ZINC000071273675	176105719	/nfs/dbraw/zinc/10/57/19/176105719.db2.gz	LMXFRARNTWYPPM-CYBMUJFWSA-N	0	3	298.411	2.419	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2ccsc2)s1	ZINC000071322958	176123589	/nfs/dbraw/zinc/12/35/89/176123589.db2.gz	ICTMBPJGONFXOT-UHFFFAOYSA-N	0	3	276.386	2.050	10	30		CEEEHN
Cc1ccc2c(c1)C(C#N)N(CCCn1ccnc1)C2=O	ZINC000071678078	176243192	/nfs/dbraw/zinc/24/31/92/176243192.db2.gz	XXRIKSUGHRMAKE-HNNXBMFYSA-N	0	3	280.331	2.302	10	30		CEEEHN
CC(C)CN1C(=O)c2ccc(N(C)C)cc2C1C#N	ZINC000071679084	176243488	/nfs/dbraw/zinc/24/34/88/176243488.db2.gz	KPHJSAFFJVLBAT-CQSZACIVSA-N	0	3	257.337	2.429	10	30		CEEEHN
N#Cc1ccccc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1	ZINC000398808124	269974327	/nfs/dbraw/zinc/97/43/27/269974327.db2.gz	UNCYWIKRTHMBSR-XHSDSOJGSA-N	0	3	256.349	2.151	10	30		CEEEHN
Cc1nc(N2C[C@H](C)NC[C@H]2C)c(Cl)cc1C#N	ZINC000261566561	293305618	/nfs/dbraw/zinc/30/56/18/293305618.db2.gz	IHQJBVTVJSLTOG-DTWKUNHWSA-N	0	3	264.760	2.102	10	30		CEEEHN
CCC[C@H](C)C(=O)N(C)Cc1ccccc1C#CCN	ZINC000049586816	520993226	/nfs/dbraw/zinc/99/32/26/520993226.db2.gz	LSYALUZYYOORJZ-AWEZNQCLSA-N	0	3	272.392	2.391	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)NC	ZINC000062746242	518913625	/nfs/dbraw/zinc/91/36/25/518913625.db2.gz	FHHWJQRAXVKOJM-WDEREUQCSA-N	0	3	280.343	2.176	10	30		CEEEHN
CC(C)CN1CCN([C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068615132	519727379	/nfs/dbraw/zinc/72/73/79/519727379.db2.gz	ATQFAWFTAOSBEJ-IRXDYDNUSA-N	0	3	294.487	2.319	10	30		CEEEHN
CC(C)OCCOCc1ccc(F)cc1C#CCN	ZINC000049610781	519768789	/nfs/dbraw/zinc/76/87/89/519768789.db2.gz	LZOWBXUJXWFFEK-UHFFFAOYSA-N	0	3	265.328	2.078	10	30		CEEEHN
CCCCC(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587124	519911687	/nfs/dbraw/zinc/91/16/87/519911687.db2.gz	MVNNYAKJRDTCLU-ZDUSSCGKSA-N	0	3	258.365	2.364	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@H](C)N1CCN([C@@H](C)CC)CC1	ZINC000068615001	520224737	/nfs/dbraw/zinc/22/47/37/520224737.db2.gz	AMOXSLYHKSHNFI-JYJNAYRXSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCN(Cc1ccc(C#CCCO)cc1)C[C@H]1CCCO1	ZINC000049613767	521296825	/nfs/dbraw/zinc/29/68/25/521296825.db2.gz	HBFJLVYUJYOBTO-GOSISDBHSA-N	0	3	287.403	2.421	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1cc(F)ccc1C#CCN	ZINC000049105815	522294592	/nfs/dbraw/zinc/29/45/92/522294592.db2.gz	INEYBSSHSHRKFS-VXGBXAGGSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@H](NC(=O)c1cncc(C#CCN)c1)c1cccs1	ZINC000049629697	522549341	/nfs/dbraw/zinc/54/93/41/522549341.db2.gz	HNWCABQENBHVOS-AWEZNQCLSA-N	0	3	299.399	2.334	10	30		CEEEHN
CC[C@@H](NC(=O)c1ccc(F)cc1C#CCN)C(C)C	ZINC000049148552	522785647	/nfs/dbraw/zinc/78/56/47/522785647.db2.gz	LDVACURKOQPFPA-OAHLLOKOSA-N	0	3	276.355	2.300	10	30		CEEEHN
CC[C@@H](NC(=O)c1ccccc1C#CCN)C(C)C	ZINC000049148548	522794367	/nfs/dbraw/zinc/79/43/67/522794367.db2.gz	ICNXWRKVQDCYDK-OAHLLOKOSA-N	0	3	258.365	2.161	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1)C(=O)C1CCCC1	ZINC000049586597	523202656	/nfs/dbraw/zinc/20/26/56/523202656.db2.gz	UNUQLRCIQXPYGH-UHFFFAOYSA-N	0	3	270.376	2.145	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCCO)c1)C[C@H]1CCCO1	ZINC000049614167	523238603	/nfs/dbraw/zinc/23/86/03/523238603.db2.gz	FXDMNVCNALUEBZ-MRXNPFEDSA-N	0	3	291.366	2.170	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCO)c1)[C@@H]1CCSC1	ZINC000049617839	523240103	/nfs/dbraw/zinc/24/01/03/523240103.db2.gz	AKUHVDAWEGZUSV-CQSZACIVSA-N	0	3	279.380	2.107	10	30		CEEEHN
CN(Cc1cccnc1)Cc1ccc(F)c(C#CCN)c1	ZINC000049609288	523418847	/nfs/dbraw/zinc/41/88/47/523418847.db2.gz	MIOORISPKUHYHB-UHFFFAOYSA-N	0	3	283.350	2.163	10	30		CEEEHN
CN1CC[C@@H](Nc2cc(C#N)c3ccccc3n2)C1	ZINC000068770227	523967703	/nfs/dbraw/zinc/96/77/03/523967703.db2.gz	XBQDOHIKQIFHNF-GFCCVEGCSA-N	0	3	252.321	2.222	10	30		CEEEHN
COc1ccc(CN2CCC[C@@H]2C)cc1C#CCCO	ZINC000049615204	524028093	/nfs/dbraw/zinc/02/80/93/524028093.db2.gz	WCHPQVSFSWRHAV-AWEZNQCLSA-N	0	3	273.376	2.413	10	30		CEEEHN
Cc1cc(C(=O)NCc2cccc(C#CCN)c2)c(C)o1	ZINC000049586546	524106215	/nfs/dbraw/zinc/10/62/15/524106215.db2.gz	VHUFZDCILPBKIO-UHFFFAOYSA-N	0	3	282.343	2.137	10	30		CEEEHN
Cc1cccc(NC(=O)c2cncc(C#CCN)c2)c1C	ZINC000049629386	524664767	/nfs/dbraw/zinc/66/47/67/524664767.db2.gz	ROJLRBXCPBOGGI-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
C[C@H](NC(=O)C1CCCC1)c1ccc(C#CCN)cc1	ZINC000049586741	524910201	/nfs/dbraw/zinc/91/02/01/524910201.db2.gz	LNADSFUWLBDQPU-ZDUSSCGKSA-N	0	3	270.376	2.364	10	30		CEEEHN
COc1ccc(C(C#N)C(=O)[C@@H]2CCCCO2)cc1	ZINC000050963864	525285912	/nfs/dbraw/zinc/28/59/12/525285912.db2.gz	GOMIGRLWNRURAB-KBPBESRZSA-N	0	3	259.305	2.441	10	30		CEEEHN
Cc1cc(SCc2sccc2C#CCN)n(C)n1	ZINC000052311576	525438320	/nfs/dbraw/zinc/43/83/20/525438320.db2.gz	CWWQQGIHFQKOHN-UHFFFAOYSA-N	0	3	277.418	2.393	10	30		CEEEHN
NCC#Cc1ccc(COc2ccc(CO)cc2)c(F)c1	ZINC000049611147	527150231	/nfs/dbraw/zinc/15/02/31/527150231.db2.gz	OSONYZDHRBMTMS-UHFFFAOYSA-N	0	3	285.318	2.207	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)c2ccc(Cl)o2)c1	ZINC000049586471	527151447	/nfs/dbraw/zinc/15/14/47/527151447.db2.gz	REONRDRQUIVILS-UHFFFAOYSA-N	0	3	288.734	2.173	10	30		CEEEHN
NCC#Cc1ccccc1COc1ccc([N+](=O)[O-])cc1	ZINC000049611123	527154744	/nfs/dbraw/zinc/15/47/44/527154744.db2.gz	RDZIJSRDAGHNRQ-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1C	ZINC000124671283	365657459	/nfs/dbraw/zinc/65/74/59/365657459.db2.gz	GEPRRZSSGZIEEB-QWHCGFSZSA-N	0	3	289.379	2.046	10	30		CEEEHN
CCC[C@H]1C[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000233406777	344581919	/nfs/dbraw/zinc/58/19/19/344581919.db2.gz	TZGJBBXLYPKZLJ-ZFWWWQNUSA-N	0	3	292.404	2.110	10	30		CEEEHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc(F)ccc1F	ZINC000591595237	345268190	/nfs/dbraw/zinc/26/81/90/345268190.db2.gz	VYDIVVDSKSUHBN-NOZJJQNGSA-N	0	3	281.306	2.163	10	30		CEEEHN
N#Cc1nnc2ccccc2c1N[C@@H]1CN2CCC1CC2	ZINC000085919877	179199357	/nfs/dbraw/zinc/19/93/57/179199357.db2.gz	QGIZVPBTTDKIHE-OAHLLOKOSA-N	0	3	279.347	2.008	10	30		CEEEHN
N#Cc1ccc(F)c(CNC[C@@H]2CCCC[C@@H]2O)c1	ZINC000085984777	179211486	/nfs/dbraw/zinc/21/14/86/179211486.db2.gz	NAKLPZZGEVMZCQ-WFASDCNBSA-N	0	3	262.328	2.338	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000086081131	179227725	/nfs/dbraw/zinc/22/77/25/179227725.db2.gz	CZMXGLUSRUEFRX-OZVIIMIRSA-N	0	3	288.366	2.300	10	30		CEEEHN
CC[C@@H]1CN(C(=O)C#Cc2ccccc2)[C@H](CC)CN1	ZINC000086447906	179295925	/nfs/dbraw/zinc/29/59/25/179295925.db2.gz	JCYPNOORVQDPLH-HZPDHXFCSA-N	0	3	270.376	2.027	10	30		CEEEHN
CCCn1c2ccc(C#N)cc2nc1CCN(C)C	ZINC000086635963	179315201	/nfs/dbraw/zinc/31/52/01/179315201.db2.gz	QIHLURMLLOYYMB-UHFFFAOYSA-N	0	3	256.353	2.422	10	30		CEEEHN
COC[C@@H](NC(=O)C(C#N)Cc1ccccc1)C(C)C	ZINC000086700781	179321815	/nfs/dbraw/zinc/32/18/15/179321815.db2.gz	OTJRJVQGHYWUJJ-HUUCEWRRSA-N	0	3	274.364	2.156	10	30		CEEEHN
N#Cc1ccccc1OCCCN1C[C@H]2CC[C@@H](C1)O2	ZINC000090906220	180060901	/nfs/dbraw/zinc/06/09/01/180060901.db2.gz	NLPCYSYNMVEGLC-GASCZTMLSA-N	0	3	272.348	2.190	10	30		CEEEHN
CC[C@H]([NH3+])[C@]([O-])(c1cc(F)cc(C#N)c1)C(F)(F)F	ZINC000091332089	180136010	/nfs/dbraw/zinc/13/60/10/180136010.db2.gz	FPOGQEZJUCATSL-WDEREUQCSA-N	0	3	276.233	2.185	10	30		CEEEHN
CC1CCC(N(C)C(=O)c2ccncc2C#CCN)CC1	ZINC000091461992	180161517	/nfs/dbraw/zinc/16/15/17/180161517.db2.gz	QVGRKMJMMUGKPI-UHFFFAOYSA-N	0	3	285.391	2.043	10	30		CEEEHN
C[C@@H]1CCCCC[C@@H]1NC(=O)c1ccncc1C#CCN	ZINC000091463677	180162441	/nfs/dbraw/zinc/16/24/41/180162441.db2.gz	VKLTUHGANNJYQX-CJNGLKHVSA-N	0	3	285.391	2.090	10	30		CEEEHN
CSC1(C#N)CCN([C@H]2CCCC[C@@H]2O)CC1	ZINC000091471817	180165802	/nfs/dbraw/zinc/16/58/02/180165802.db2.gz	OBDRRSOEUJHSGJ-RYUDHWBXSA-N	0	3	254.399	2.011	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1cccc(OC(C)C)c1	ZINC000092473970	180394155	/nfs/dbraw/zinc/39/41/55/180394155.db2.gz	CZJFHAQOZIUOSR-ZDUSSCGKSA-N	0	3	276.380	2.427	10	30		CEEEHN
C=CCNC(=O)COc1cc(C)ccc1[C@H](C)NCC	ZINC000110960543	186336820	/nfs/dbraw/zinc/33/68/20/186336820.db2.gz	IAJGRNYHPRLLCA-ZDUSSCGKSA-N	0	3	276.380	2.347	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCCCN1CCN(C)C(C)(C)C1	ZINC000110737525	186319159	/nfs/dbraw/zinc/31/91/59/186319159.db2.gz	AUVAOQYHCWEULD-KRWDZBQOSA-N	0	3	294.487	2.463	10	30		CEEEHN
C=CC1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CC1	ZINC000132394037	366140443	/nfs/dbraw/zinc/14/04/43/366140443.db2.gz	SFIHESHFRUGQFF-HIFRSBDPSA-N	0	3	279.428	2.323	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc(C#N)cc1	ZINC000092630826	364089246	/nfs/dbraw/zinc/08/92/46/364089246.db2.gz	XNJRUHAYRGHMNQ-INIZCTEOSA-N	0	3	285.391	2.043	10	30		CEEEHN
COc1cc(C#N)ccc1CN1CC[C@H](c2cnn(C)c2)C1	ZINC000120989451	365506597	/nfs/dbraw/zinc/50/65/97/365506597.db2.gz	LJDBWESIGCUPOT-AWEZNQCLSA-N	0	3	296.374	2.290	10	30		CEEEHN
CC(C)N1C[C@H](NC(=O)c2cccc(F)c2C#N)[C@@H](C)C1	ZINC000188530421	369371816	/nfs/dbraw/zinc/37/18/16/369371816.db2.gz	WQXFPBPYMNEYGT-NHYWBVRUSA-N	0	3	289.354	2.156	10	30		CEEEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1	ZINC000247322745	371092994	/nfs/dbraw/zinc/09/29/94/371092994.db2.gz	OUCAICZZANWXFI-BBRMVZONSA-N	0	3	283.375	2.061	10	30		CEEEHN
C[C@@H](NC[C@H](C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000400464391	375372140	/nfs/dbraw/zinc/37/21/40/375372140.db2.gz	VQEMPZVOZPOCPL-UPJWGTAASA-N	0	3	281.400	2.381	10	30		CEEEHN
COc1ccc(CNC[C@H](O)C(C)(C)C)cc1C#N	ZINC000266173781	190237170	/nfs/dbraw/zinc/23/71/70/190237170.db2.gz	DGPWAQDTAPOFKF-AWEZNQCLSA-N	0	3	262.353	2.063	10	30		CEEEHN
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)sc1C#CCN	ZINC000094536793	184814564	/nfs/dbraw/zinc/81/45/64/184814564.db2.gz	NJJXFBXOMXPFOX-JQWIXIFHSA-N	0	3	276.405	2.285	10	30		CEEEHN
Cc1ncccc1C(=O)Nc1ccc(F)cc1C#CCN	ZINC000094649393	184834772	/nfs/dbraw/zinc/83/47/72/184834772.db2.gz	LGYSLKWOBBPIFA-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C(#Cc1ccccc1)CN1CCC[C@@H](Cn2cncn2)C1	ZINC000192027015	395370546	/nfs/dbraw/zinc/37/05/46/395370546.db2.gz	ZNRHDCNXKGFPEI-QGZVFWFLSA-N	0	3	280.375	2.042	10	30		CEEEHN
CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(C#N)c1)CC2	ZINC000181938386	165359531	/nfs/dbraw/zinc/35/95/31/165359531.db2.gz	VRQGHPIZSGWMHJ-WFASDCNBSA-N	0	3	295.390	2.378	10	30		CEEEHN
CN(C)CCN[C@H](C#N)c1ccccc1C(F)(F)F	ZINC000020176336	171042299	/nfs/dbraw/zinc/04/22/99/171042299.db2.gz	MOBQQONQCPSARX-GFCCVEGCSA-N	0	3	271.286	2.421	10	30		CEEEHN
Cc1ccc(C(=O)Nc2ncc(C#CCN)s2)s1	ZINC000037550750	173269028	/nfs/dbraw/zinc/26/90/28/173269028.db2.gz	BWSKSLYDDTVODP-UHFFFAOYSA-N	0	3	277.374	2.076	10	30		CEEEHN
N#Cc1c(F)cccc1O[C@H](CN)c1ccccn1	ZINC000043343817	175016464	/nfs/dbraw/zinc/01/64/64/175016464.db2.gz	VGGIVQOHIWNWPW-CQSZACIVSA-N	0	3	257.268	2.171	10	30		CEEEHN
CCOC1CCN(Cc2sccc2C#CCO)CC1	ZINC000043678045	175088914	/nfs/dbraw/zinc/08/89/14/175088914.db2.gz	GHLBDFIKSWZYRG-UHFFFAOYSA-N	0	3	279.405	2.093	10	30		CEEEHN
CN(Cc1ccc(C#CCO)s1)[C@H]1CCSC1	ZINC000043679526	175090143	/nfs/dbraw/zinc/09/01/43/175090143.db2.gz	WCCJOLDQJMQFFV-NSHDSACASA-N	0	3	267.419	2.029	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCC(F)(F)F	ZINC000044812471	175257941	/nfs/dbraw/zinc/25/79/41/175257941.db2.gz	FHRWEXQTPYVLCV-JTQLQIEISA-N	0	3	256.227	2.047	10	30		CEEEHN
CN[C@](C)(C#N)CCCN1CCc2ccccc2C1	ZINC000045307602	175355621	/nfs/dbraw/zinc/35/56/21/175355621.db2.gz	UKPZYRSUFNVTAX-INIZCTEOSA-N	0	3	257.381	2.327	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCN1CCN(C(C)(C)C)CC1	ZINC000045318446	175359262	/nfs/dbraw/zinc/35/92/62/175359262.db2.gz	NVHKTEGYTVXCCK-KRWDZBQOSA-N	0	3	294.487	2.465	10	30		CEEEHN
CCCN[C@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O	ZINC000071041631	176028263	/nfs/dbraw/zinc/02/82/63/176028263.db2.gz	NRVDYBWOFLKPEI-AWEZNQCLSA-N	0	3	275.327	2.192	10	30		CEEEHN
C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#CCN)cc1F	ZINC000071210986	176083368	/nfs/dbraw/zinc/08/33/68/176083368.db2.gz	GDFJAARMPILHHX-NHYWBVRUSA-N	0	3	274.339	2.054	10	30		CEEEHN
COCCN(CCC#N)c1ccc(F)cc1[C@H](C)N	ZINC000071225932	176089913	/nfs/dbraw/zinc/08/99/13/176089913.db2.gz	UTHLAONVIKCFMJ-NSHDSACASA-N	0	3	265.332	2.212	10	30		CEEEHN
CCOC(=O)CCCCCN1CCN(C(C)(C)C#N)CC1	ZINC000071297588	176112543	/nfs/dbraw/zinc/11/25/43/176112543.db2.gz	JLVVJXAYBQAEFE-UHFFFAOYSA-N	0	3	295.427	2.030	10	30		CEEEHN
Cc1cccc2c1C(=O)N(C[C@H]1CCCO1)C2C#N	ZINC000071678146	176243059	/nfs/dbraw/zinc/24/30/59/176243059.db2.gz	HMNZDZMFDDTVKO-DGCLKSJQSA-N	0	3	256.305	2.195	10	30		CEEEHN
COC(=O)C1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000305821359	268006143	/nfs/dbraw/zinc/00/61/43/268006143.db2.gz	HCXLDKSXGZBWTJ-POOIEITISA-N	0	3	250.342	2.000	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)c1cccc(C#N)c1	ZINC000092630739	276181811	/nfs/dbraw/zinc/18/18/11/276181811.db2.gz	LDMFLZZKYVNEHV-HNNXBMFYSA-N	0	3	271.364	2.115	10	30		CEEEHN
CCc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424068362	330219536	/nfs/dbraw/zinc/21/95/36/330219536.db2.gz	RPFIYEAPCPAFBG-WFASDCNBSA-N	0	3	273.380	2.447	10	30		CEEEHN
C=CCCC[C@H](C)NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000181091138	335749930	/nfs/dbraw/zinc/74/99/30/335749930.db2.gz	BNOZQZDYDRXRJT-QWHCGFSZSA-N	0	3	253.390	2.077	10	30		CEEEHN
C=C[C@H](C)Oc1ccc(OC)cc1CNCCOC	ZINC000062727752	519300301	/nfs/dbraw/zinc/30/03/01/519300301.db2.gz	VCFUHVZNNRSTLT-LBPRGKRZSA-N	0	3	265.353	2.385	10	30		CEEEHN
CCCCC(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049586588	519905532	/nfs/dbraw/zinc/90/55/32/519905532.db2.gz	XBDKWQMCRGGXBA-UHFFFAOYSA-N	0	3	258.365	2.145	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCN1CCN([C@H](C)CC)CC1	ZINC000055070131	520128802	/nfs/dbraw/zinc/12/88/02/520128802.db2.gz	WUKWMPFDRZWXCX-HZPDHXFCSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCCN(C(=O)c1ccc(C#CCN)cn1)[C@@H](C)CC	ZINC000061872507	520358293	/nfs/dbraw/zinc/35/82/93/520358293.db2.gz	KYMROHJDQLASDX-AWEZNQCLSA-N	0	3	287.407	2.433	10	30		CEEEHN
CCOC(=O)N1CCC(N[C@H]2CCCC[C@H]2C#N)CC1	ZINC000054824408	520931048	/nfs/dbraw/zinc/93/10/48/520931048.db2.gz	FBIABURFRAODDN-JSGCOSHPSA-N	0	3	279.384	2.279	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1cc(F)ccc1C#CCN	ZINC000050890999	521146972	/nfs/dbraw/zinc/14/69/72/521146972.db2.gz	HPCJYLFJXOUWFX-LBPRGKRZSA-N	0	3	276.355	2.444	10	30		CEEEHN
CCN(Cc1ccc(OC)c(C#CCO)c1)C1CC1	ZINC000049617367	521323082	/nfs/dbraw/zinc/32/30/82/521323082.db2.gz	YVRLOGROTYHKAX-UHFFFAOYSA-N	0	3	259.349	2.023	10	30		CEEEHN
CC[C@@H](C#N)Oc1ccc(OC)cc1CNCCOC	ZINC000062727761	521802558	/nfs/dbraw/zinc/80/25/58/521802558.db2.gz	SPDUMNICMALDEZ-ZDUSSCGKSA-N	0	3	278.352	2.112	10	30		CEEEHN
CC[C@@H](C)[C@H](C)NC(=O)c1ccccc1C#CCN	ZINC000049105786	522357948	/nfs/dbraw/zinc/35/79/48/522357948.db2.gz	ODKNKVDIZUZKGN-OLZOCXBDSA-N	0	3	258.365	2.161	10	30		CEEEHN
CN[C@H](C#N)CCN1CCC(Cc2ccccc2)CC1	ZINC000062369525	522435382	/nfs/dbraw/zinc/43/53/82/522435382.db2.gz	WRNPFKGIPLCWMB-KRWDZBQOSA-N	0	3	271.408	2.443	10	30		CEEEHN
COCC1CCN([C@@H](C)C[C@](C)(C#N)NC(C)C)CC1	ZINC000068616652	522936505	/nfs/dbraw/zinc/93/65/05/522936505.db2.gz	XTUZPOWSEDCTSM-GOEBONIOSA-N	0	3	281.444	2.404	10	30		CEEEHN
CN(Cc1ccc(C#CCO)cc1)C[C@H]1CCCCO1	ZINC000049613699	523207055	/nfs/dbraw/zinc/20/70/55/523207055.db2.gz	HDGNASOGWDKAHQ-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
CN(Cc1cccc(C#CCN)c1)C(=O)c1ccccc1	ZINC000049586903	523291979	/nfs/dbraw/zinc/29/19/79/523291979.db2.gz	JCDAYLRPUPAMRG-UHFFFAOYSA-N	0	3	278.355	2.269	10	30		CEEEHN
CN(Cc1ccccc1C#CCN)C(=O)c1ccsc1	ZINC000049586844	523358198	/nfs/dbraw/zinc/35/81/98/523358198.db2.gz	MKJHTOPESCPAKU-UHFFFAOYSA-N	0	3	284.384	2.331	10	30		CEEEHN
CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(F)cc1C#CCN	ZINC000049609848	523508409	/nfs/dbraw/zinc/50/84/09/523508409.db2.gz	SHCOXBITNBIDJD-SUMWQHHRSA-N	0	3	290.382	2.135	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1CCC[C@H]1C	ZINC000049615234	523515935	/nfs/dbraw/zinc/51/59/35/523515935.db2.gz	HPRIGNRIMUQRML-CYBMUJFWSA-N	0	3	259.349	2.023	10	30		CEEEHN
COCCN(Cc1ccccc1C#CCCO)C1CC1	ZINC000049614212	523758095	/nfs/dbraw/zinc/75/80/95/523758095.db2.gz	XJFBYBGBZFCEAY-UHFFFAOYSA-N	0	3	273.376	2.031	10	30		CEEEHN
Cc1cc(C(=O)Nc2cc(C#CCN)ccc2Cl)on1	ZINC000061691926	524158760	/nfs/dbraw/zinc/15/87/60/524158760.db2.gz	QDUACHGWDOSXRB-UHFFFAOYSA-N	0	3	289.722	2.199	10	30		CEEEHN
C[C@H](NC(=O)CC(F)(F)F)c1cccc(C#CCN)c1	ZINC000049587213	524921794	/nfs/dbraw/zinc/92/17/94/524921794.db2.gz	LKDPVQOIPLNHOP-JTQLQIEISA-N	0	3	284.281	2.126	10	30		CEEEHN
C[C@@H](NC(=O)NC(C)(C)C)c1cccc(C#CCN)c1	ZINC000049587462	525186667	/nfs/dbraw/zinc/18/66/67/525186667.db2.gz	SAWWPKUJQUCQNM-GFCCVEGCSA-N	0	3	273.380	2.156	10	30		CEEEHN
N#Cc1ccsc1NC(=O)[C@@H](CN)c1ccccc1	ZINC000061612684	526771071	/nfs/dbraw/zinc/77/10/71/526771071.db2.gz	ZKKMOCTVBUCMBU-LBPRGKRZSA-N	0	3	271.345	2.301	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)c2ccc(F)cc2)cc1	ZINC000049586277	527150407	/nfs/dbraw/zinc/15/04/07/527150407.db2.gz	IAWKOGDWCIUFJI-UHFFFAOYSA-N	0	3	282.318	2.066	10	30		CEEEHN
NCC#Cc1ccccc1C(=O)Nc1nc2c(s1)CCC2	ZINC000049549303	527153556	/nfs/dbraw/zinc/15/35/56/527153556.db2.gz	QFUGNDTYXWVDPE-UHFFFAOYSA-N	0	3	297.383	2.194	10	30		CEEEHN
Cn1cc(SCc2ccc(C#CCN)cc2F)cn1	ZINC000049612942	527291527	/nfs/dbraw/zinc/29/15/27/527291527.db2.gz	SUNPILVYHFQKKZ-UHFFFAOYSA-N	0	3	275.352	2.162	10	30		CEEEHN
COCCCSCc1sccc1C#CCN	ZINC000082630021	178141074	/nfs/dbraw/zinc/14/10/74/178141074.db2.gz	PMMYGONQLSODGI-UHFFFAOYSA-N	0	3	255.408	2.328	10	30		CEEEHN
C=CCC[C@H](O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000246572437	344617123	/nfs/dbraw/zinc/61/71/23/344617123.db2.gz	AOUQOTYJJDIDNJ-KBPBESRZSA-N	0	3	298.427	2.303	10	30		CEEEHN
C=C(C)CN(CC)C(=O)N[C@H]1CCCN(CC)C1	ZINC000057870067	362598105	/nfs/dbraw/zinc/59/81/05/362598105.db2.gz	PASQXHXMUFFBNL-ZDUSSCGKSA-N	0	3	253.390	2.078	10	30		CEEEHN
C#CCOc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1	ZINC000128473012	187372751	/nfs/dbraw/zinc/37/27/51/187372751.db2.gz	BSKBLSKKVIPENQ-INIZCTEOSA-N	0	3	295.386	2.422	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CCN)cc2F)[C@@H]1C	ZINC000086081154	179227501	/nfs/dbraw/zinc/22/75/01/179227501.db2.gz	UDROPVXCXLCAJU-HSMVNMDESA-N	0	3	288.366	2.300	10	30		CEEEHN
N#Cc1ccc(F)c(CNC[C@@H]2CCC[C@@H]2CO)c1	ZINC000089498093	179804569	/nfs/dbraw/zinc/80/45/69/179804569.db2.gz	HADNWHZESMDHDI-QWHCGFSZSA-N	0	3	262.328	2.196	10	30		CEEEHN
CCC(CC)CN(CC)C(=O)c1ccncc1C#CCN	ZINC000091461998	180161823	/nfs/dbraw/zinc/16/18/23/180161823.db2.gz	CRKSFNZPHBBMGT-UHFFFAOYSA-N	0	3	287.407	2.290	10	30		CEEEHN
Cc1ccc([C@H](C)NC(=O)c2ccncc2C#CCN)s1	ZINC000091462253	180161995	/nfs/dbraw/zinc/16/19/95/180161995.db2.gz	ZIVBAKJBPDSULH-LBPRGKRZSA-N	0	3	299.399	2.253	10	30		CEEEHN
C[C@H]1CCCCC[C@@H]1NC(=O)c1ccncc1C#CCN	ZINC000091463681	180162384	/nfs/dbraw/zinc/16/23/84/180162384.db2.gz	VKLTUHGANNJYQX-BBRMVZONSA-N	0	3	285.391	2.090	10	30		CEEEHN
Cc1ncccc1NC(=O)c1cc(C#CCN)ccc1F	ZINC000091497941	180173396	/nfs/dbraw/zinc/17/33/96/180173396.db2.gz	GTEWWGZVFRFKNE-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1C[C@H](C)[C@H](C)C1	ZINC000091528025	180179961	/nfs/dbraw/zinc/17/99/61/180179961.db2.gz	QBSVAIYOGTXMCE-XQQFMLRXSA-N	0	3	271.364	2.473	10	30		CEEEHN
C[C@@H](NC(=O)N1CCCCC1)c1cccc(C#CCN)c1	ZINC000091969688	180294997	/nfs/dbraw/zinc/29/49/97/180294997.db2.gz	HMVXBNLPFZFCRC-CQSZACIVSA-N	0	3	285.391	2.253	10	30		CEEEHN
CC(C)C1CCC(C#N)([C@]2(O)CCCNC2)CC1	ZINC000091879104	180279645	/nfs/dbraw/zinc/27/96/45/180279645.db2.gz	PGFVNYMIBDBTPX-NRXISQOPSA-N	0	3	250.386	2.457	10	30		CEEEHN
C#CCN1CCC(N[C@H](C)c2c(C)noc2C)CC1	ZINC000092327407	180362997	/nfs/dbraw/zinc/36/29/97/180362997.db2.gz	KGHGKPDIFOVSFA-LLVKDONJSA-N	0	3	261.369	2.040	10	30		CEEEHN
C=CCNCC(=O)N1CCC2(CCCCC2)CC1	ZINC000092475764	180393650	/nfs/dbraw/zinc/39/36/50/180393650.db2.gz	SNDMSKLQOYDMOM-UHFFFAOYSA-N	0	3	250.386	2.335	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1CCCc2sccc21	ZINC000092475745	180393877	/nfs/dbraw/zinc/39/38/77/180393877.db2.gz	QFRNVAWXAWAOCA-LLVKDONJSA-N	0	3	250.367	2.017	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc(C#N)cc1	ZINC000092630824	180420343	/nfs/dbraw/zinc/42/03/43/180420343.db2.gz	XNJRUHAYRGHMNQ-MRXNPFEDSA-N	0	3	285.391	2.043	10	30		CEEEHN
NCC#Cc1cc(F)ccc1COc1ccccc1CO	ZINC000110994474	186341008	/nfs/dbraw/zinc/34/10/08/186341008.db2.gz	DXGWZKUBKMZTQA-UHFFFAOYSA-N	0	3	285.318	2.207	10	30		CEEEHN
NCC#Cc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	ZINC000111102495	186352642	/nfs/dbraw/zinc/35/26/42/186352642.db2.gz	XEGUCECVCBTERQ-UAGQMJEPSA-N	0	3	282.387	2.163	10	30		CEEEHN
CN(Cc1ccc(C#CCO)cc1F)C[C@@H]1CCCOC1	ZINC000111168257	186363933	/nfs/dbraw/zinc/36/39/33/186363933.db2.gz	RYZURDKKRFNAFH-HNNXBMFYSA-N	0	3	291.366	2.028	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C#N)cs1	ZINC000177211578	189037059	/nfs/dbraw/zinc/03/70/59/189037059.db2.gz	SAQPDYWLCMRIRK-GFCCVEGCSA-N	0	3	277.393	2.176	10	30		CEEEHN
CCOC(=O)C(C#N)Cc1ccc2ccccc2n1	ZINC000098210183	364538138	/nfs/dbraw/zinc/53/81/38/364538138.db2.gz	NFLHYWLKGHHYQV-LBPRGKRZSA-N	0	3	254.289	2.480	10	30		CEEEHN
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000245960805	370894612	/nfs/dbraw/zinc/89/46/12/370894612.db2.gz	SFMHJYGYFSHLFH-CZUORRHYSA-N	0	3	285.391	2.325	10	30		CEEEHN
COc1cc(C#N)ccc1CN1CCN2CCCC[C@H]2C1	ZINC000245942739	370891283	/nfs/dbraw/zinc/89/12/83/370891283.db2.gz	RFCFBAZMIMPDFR-INIZCTEOSA-N	0	3	285.391	2.237	10	30		CEEEHN
C[C@@H]1CCC[C@@](N)(C(=O)Nc2ccccc2C#N)C1	ZINC000080906067	177725452	/nfs/dbraw/zinc/72/54/52/177725452.db2.gz	HBXOQJSTVRYBIE-ABAIWWIYSA-N	0	3	257.337	2.404	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000186253548	395289067	/nfs/dbraw/zinc/28/90/67/395289067.db2.gz	IFCBUVYSXAREGP-CRAIPNDOSA-N	0	3	299.418	2.019	10	30		CEEEHN
N#Cc1ccccc1NC(=O)CCN1C[C@H]2CCC[C@H]21	ZINC000533540459	395462423	/nfs/dbraw/zinc/46/24/23/395462423.db2.gz	SDVNPVVLRDZNCO-UKRRQHHQSA-N	0	3	269.348	2.371	10	30		CEEEHN
Cc1csc(NC(=O)c2cccc(C#CCN)c2)n1	ZINC000037570909	173521016	/nfs/dbraw/zinc/52/10/16/173521016.db2.gz	BQYPDZSIKPPZSA-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
CCCCOCCNCc1ccccc1OCC#N	ZINC000040506820	174302014	/nfs/dbraw/zinc/30/20/14/174302014.db2.gz	LIFBFEFIPOUQKX-UHFFFAOYSA-N	0	3	262.353	2.495	10	30		CEEEHN
C[C@H](N)[C@@H](c1ccco1)N(CCC#N)Cc1cccnc1	ZINC000043334579	175010312	/nfs/dbraw/zinc/01/03/12/175010312.db2.gz	JLMGIBKUSXFLFT-BBRMVZONSA-N	0	3	284.363	2.479	10	30		CEEEHN
CCN(Cc1sccc1C#CCN)C[C@H](C)C#N	ZINC000043684145	175092745	/nfs/dbraw/zinc/09/27/45/175092745.db2.gz	XABJZGSHBQYGMA-GFCCVEGCSA-N	0	3	261.394	2.040	10	30		CEEEHN
CCN(Cc1ccc(C#CCN)s1)CC(F)(F)F	ZINC000043684253	175093304	/nfs/dbraw/zinc/09/33/04/175093304.db2.gz	TZPYQJHAPUQDKG-UHFFFAOYSA-N	0	3	276.327	2.443	10	30		CEEEHN
CC(C)CN(CCC#N)Cc1cc(C#CCN)cs1	ZINC000043689138	175096184	/nfs/dbraw/zinc/09/61/84/175096184.db2.gz	XALJKAGCXMOVJO-UHFFFAOYSA-N	0	3	275.421	2.430	10	30		CEEEHN
C=C(Br)CNC[C@@H](C)N1CCCCC1	ZINC000044993096	175286580	/nfs/dbraw/zinc/28/65/80/175286580.db2.gz	AHCYYELBGQSVDP-LLVKDONJSA-N	0	3	261.207	2.359	10	30		CEEEHN
COc1ccc(C(=O)N(C)CC(C)(C)C)cc1C#CCN	ZINC000045091839	175305805	/nfs/dbraw/zinc/30/58/05/175305805.db2.gz	WHANQYSUACRYOL-UHFFFAOYSA-N	0	3	288.391	2.124	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN(CC)[C@@H](C)COC	ZINC000045181858	175324727	/nfs/dbraw/zinc/32/47/27/175324727.db2.gz	CSLSNIUKWQNLQL-UONOGXRCSA-N	0	3	255.406	2.015	10	30		CEEEHN
COCCN(CC[C@@](C)(C#N)NC(C)C)[C@@H](C)C1CC1	ZINC000045182601	175325641	/nfs/dbraw/zinc/32/56/41/175325641.db2.gz	LGZOQJTVTKRCNJ-HOCLYGCPSA-N	0	3	281.444	2.404	10	30		CEEEHN
CN(CC1CCC1)C(=O)c1cc(C#CCN)ccc1F	ZINC000061486950	175648758	/nfs/dbraw/zinc/64/87/58/175648758.db2.gz	RWYORTMRUKZSKD-UHFFFAOYSA-N	0	3	274.339	2.008	10	30		CEEEHN
Cc1ccc(C(=O)NCc2cc(C#CCN)cs2)s1	ZINC000071322346	176122793	/nfs/dbraw/zinc/12/27/93/176122793.db2.gz	IEUBGDBOOPDLHZ-UHFFFAOYSA-N	0	3	290.413	2.358	10	30		CEEEHN
Cc1cc(C(=O)NCc2cc(C#CCN)cs2)c(C)o1	ZINC000071322348	176122939	/nfs/dbraw/zinc/12/29/39/176122939.db2.gz	CVMLCEHWPDTVCZ-UHFFFAOYSA-N	0	3	288.372	2.198	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)C2CCCCC2)c1	ZINC000071322330	176122970	/nfs/dbraw/zinc/12/29/70/176122970.db2.gz	UIOVYPHKNHRWGG-UHFFFAOYSA-N	0	3	276.405	2.255	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000071322929	176123548	/nfs/dbraw/zinc/12/35/48/176123548.db2.gz	CUKYBFGWSDLOMI-YWPYICTPSA-N	0	3	288.416	2.111	10	30		CEEEHN
N#Cc1ccc(OCCN2CCN3CCCC[C@H]3C2)cc1	ZINC000204864415	419459134	/nfs/dbraw/zinc/45/91/34/419459134.db2.gz	GIYOENKARHSWRZ-INIZCTEOSA-N	0	3	285.391	2.107	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)c1cc(C)ncc1C#N	ZINC000399569670	266147978	/nfs/dbraw/zinc/14/79/78/266147978.db2.gz	ICOLEZSEHDRLFP-AWEZNQCLSA-N	0	3	258.369	2.182	10	30		CEEEHN
CCn1cnnc1[C@@H]1CCCN(CCCSCC#N)C1	ZINC000173877848	329153473	/nfs/dbraw/zinc/15/34/73/329153473.db2.gz	NEBYWTLTOLFRJN-CYBMUJFWSA-N	0	3	293.440	2.124	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000185831477	333149809	/nfs/dbraw/zinc/14/98/09/333149809.db2.gz	KMNBOBCRPPTTSV-MJBXVCDLSA-N	0	3	252.402	2.434	10	30		CEEEHN
C=C(Br)COc1ccc2c(c1)OC[C@@H]2N	ZINC000062803651	518585422	/nfs/dbraw/zinc/58/54/22/518585422.db2.gz	FWBHJNHGPMVWGU-JTQLQIEISA-N	0	3	270.126	2.366	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@H](C)Cc1ccc(F)cc1	ZINC000062052704	518922678	/nfs/dbraw/zinc/92/26/78/518922678.db2.gz	XGBFSXVIVSUQAR-NEPJUHHUSA-N	0	3	264.344	2.037	10	30		CEEEHN
CC(C)CN1CCN([C@@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068615056	519727385	/nfs/dbraw/zinc/72/73/85/519727385.db2.gz	VQJGSAXFMFVHDS-RDJZCZTQSA-N	0	3	292.471	2.073	10	30		CEEEHN
CC(C)N[C@](C)(C#N)C[C@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613210	519739166	/nfs/dbraw/zinc/73/91/66/519739166.db2.gz	UFSAITGYUNGBES-RDJZCZTQSA-N	0	3	294.487	2.461	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N1CCN(C(C)C)CC1	ZINC000068611648	520033867	/nfs/dbraw/zinc/03/38/67/520033867.db2.gz	RSJMPDMXUGOXDI-JKSUJKDBSA-N	0	3	280.460	2.073	10	30		CEEEHN
CC1CCC(N(C)C(=O)c2cncc(C#CCN)c2)CC1	ZINC000049629603	520934342	/nfs/dbraw/zinc/93/43/42/520934342.db2.gz	RDSURHMAQCASBM-UHFFFAOYSA-N	0	3	285.391	2.043	10	30		CEEEHN
CCN(CC1CC1)C(=O)c1cc(F)ccc1C#CCN	ZINC000069263389	520954507	/nfs/dbraw/zinc/95/45/07/520954507.db2.gz	QORVKLPFGPYWDU-UHFFFAOYSA-N	0	3	274.339	2.008	10	30		CEEEHN
CC[C@@H](C)N1CCN(CC[C@@](C)(C#N)NC(C)C)CC1	ZINC000055069992	522121921	/nfs/dbraw/zinc/12/19/21/522121921.db2.gz	XQGUVBNWBRQTGK-CVEARBPZSA-N	0	3	280.460	2.073	10	30		CEEEHN
CC[C@H](NC(=O)c1cc(C#CCN)ccc1F)C(C)C	ZINC000049148555	522522537	/nfs/dbraw/zinc/52/25/37/522522537.db2.gz	WLHADLWBCWTAKI-HNNXBMFYSA-N	0	3	276.355	2.300	10	30		CEEEHN
CN(Cc1ccoc1)Cc1ccc(F)c(C#CCN)c1	ZINC000049609741	523474428	/nfs/dbraw/zinc/47/44/28/523474428.db2.gz	GPTMYKWWUXTKQZ-UHFFFAOYSA-N	0	3	272.323	2.361	10	30		CEEEHN
COc1ccc(C#CCN)cc1NC(=O)[C@@H](C)C(C)C	ZINC000070125993	523516936	/nfs/dbraw/zinc/51/69/36/523516936.db2.gz	KNCNDQXXPPBHQO-LBPRGKRZSA-N	0	3	274.364	2.236	10	30		CEEEHN
COCCNCc1c(OCC#N)ccc2ccccc21	ZINC000062732185	523949334	/nfs/dbraw/zinc/94/93/34/523949334.db2.gz	JOLGDODVRCWHCF-UHFFFAOYSA-N	0	3	270.332	2.478	10	30		CEEEHN
CC[C@H](C)N1CCN(Cc2sccc2C#CCO)CC1	ZINC000055069367	523957042	/nfs/dbraw/zinc/95/70/42/523957042.db2.gz	OBFROMVCJFTNIV-AWEZNQCLSA-N	0	3	292.448	2.008	10	30		CEEEHN
COc1ccc(CSc2nccn2C)cc1C#CCN	ZINC000049611271	524128389	/nfs/dbraw/zinc/12/83/89/524128389.db2.gz	OOGWAPWFGQVARQ-UHFFFAOYSA-N	0	3	287.388	2.031	10	30		CEEEHN
Cc1cc(C)c(C#N)c(N2CCC[C@@H]2CN(C)C)n1	ZINC000061645978	524214384	/nfs/dbraw/zinc/21/43/84/524214384.db2.gz	BGBRSSALOFFOFH-CYBMUJFWSA-N	0	3	258.369	2.101	10	30		CEEEHN
C[C@@H]1CCCN(Cc2ccc(F)cc2C#CCO)C1	ZINC000049616075	524235584	/nfs/dbraw/zinc/23/55/84/524235584.db2.gz	QNQNKLWPWGIVSY-CYBMUJFWSA-N	0	3	261.340	2.401	10	30		CEEEHN
Cc1ccc(NC(=O)c2cncc(C#CCN)c2)cc1F	ZINC000049629361	525254176	/nfs/dbraw/zinc/25/41/76/525254176.db2.gz	ITPHZQHMLGDZEH-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
Cc1nn(CCOc2cccc(C#CCN)c2)c(C)c1C	ZINC000049610244	526281310	/nfs/dbraw/zinc/28/13/10/526281310.db2.gz	SBVJAQQRYGLXGV-UHFFFAOYSA-N	0	3	283.375	2.198	10	30		CEEEHN
NCC#Cc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000049611124	527149634	/nfs/dbraw/zinc/14/96/34/527149634.db2.gz	QNGXIHLIDLWZBQ-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)[C@@H]2CCCCO2)c1	ZINC000061692029	527149992	/nfs/dbraw/zinc/14/99/92/527149992.db2.gz	IBGBODYYAGSSIS-AWEZNQCLSA-N	0	3	292.766	2.158	10	30		CEEEHN
NCC#Cc1cccc(COc2ccc(CO)cc2)c1	ZINC000049611148	527153586	/nfs/dbraw/zinc/15/35/86/527153586.db2.gz	WBVGODJOJXHWJN-UHFFFAOYSA-N	0	3	267.328	2.068	10	30		CEEEHN
SCCCN1CCN(Cc2ccccc2)CC1	ZINC000034136065	361787619	/nfs/dbraw/zinc/78/76/19/361787619.db2.gz	MRGJGOSAUFGMQF-UHFFFAOYSA-N	0	3	250.411	2.124	10	30		CEEEHN
C=CCCO[C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000125167217	187172883	/nfs/dbraw/zinc/17/28/83/187172883.db2.gz	ZHAOJHDSLIALFD-GDBMZVCRSA-N	0	3	290.407	2.387	10	30		CEEEHN
CC(C#N)S(=O)(=O)c1ccccc1Br	ZINC000043522867	362146070	/nfs/dbraw/zinc/14/60/70/362146070.db2.gz	QZWAUYHIMKWXJZ-ZETCQYMHSA-N	0	3	274.139	2.135	10	30		CEEEHN
C#C[C@@H](NC)c1cccc(I)c1	ZINC000130267371	344351535	/nfs/dbraw/zinc/35/15/35/344351535.db2.gz	VKQLYRJOUHHOFE-SNVBAGLBSA-N	0	3	271.101	2.185	10	30		CEEEHN
Cc1cc(C#N)cc(N2C[C@H]3CCCCN3C[C@H]2C)n1	ZINC000228795032	344563568	/nfs/dbraw/zinc/56/35/68/344563568.db2.gz	OKRULNDUFUXAPS-UKRRQHHQSA-N	0	3	270.380	2.325	10	30		CEEEHN
CCN1CCC[C@H](Nc2c(C#N)nnc3ccccc32)C1	ZINC000085920128	179199802	/nfs/dbraw/zinc/19/98/02/179199802.db2.gz	VDMQNVLFIXZBDY-LBPRGKRZSA-N	0	3	281.363	2.398	10	30		CEEEHN
Cc1cc(C#N)ccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000129745581	365892096	/nfs/dbraw/zinc/89/20/96/365892096.db2.gz	SFMHJYGYFSHLFH-BBRMVZONSA-N	0	3	285.391	2.325	10	30		CEEEHN
COC[C@@H](NCc1ccccc1OCC#N)C(C)C	ZINC000086696916	179320806	/nfs/dbraw/zinc/32/08/06/179320806.db2.gz	AVPCFGOEHAJECZ-CQSZACIVSA-N	0	3	262.353	2.350	10	30		CEEEHN
NCC#Cc1ccsc1C(=O)N1CCC[C@@H]2CCC[C@@H]21	ZINC000087782379	179485550	/nfs/dbraw/zinc/48/55/50/179485550.db2.gz	VLWWKZUHTBQLIU-JSGCOSHPSA-N	0	3	288.416	2.463	10	30		CEEEHN
NCC#Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc32)s1	ZINC000090985727	180080755	/nfs/dbraw/zinc/08/07/55/180080755.db2.gz	JVDGFUBMIDSLDA-MRXNPFEDSA-N	0	3	296.395	2.014	10	30		CEEEHN
CC1(C)C(C(=O)NCc2ccccc2C#CCN)C1(C)C	ZINC000091493002	180170845	/nfs/dbraw/zinc/17/08/45/180170845.db2.gz	FIUXAPMZARNVFS-UHFFFAOYSA-N	0	3	284.403	2.295	10	30		CEEEHN
Cc1cc(F)cc(NC(=O)c2ccc(C#CCN)cn2)c1	ZINC000091517621	180177326	/nfs/dbraw/zinc/17/73/26/180177326.db2.gz	XKHRLUVHXYVVQF-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CN(Cc1ccnc(C#N)c1)C1CCC2(CC1)OCCO2	ZINC000091853779	180273866	/nfs/dbraw/zinc/27/38/66/180273866.db2.gz	IHALJFKCPXKQJH-UHFFFAOYSA-N	0	3	287.363	2.071	10	30		CEEEHN
N#C[C@]1([C@@]2(O)CCN(C3CC3)C2)CCCc2ccccc21	ZINC000091878849	180279077	/nfs/dbraw/zinc/27/90/77/180279077.db2.gz	LNEVBSZVCBXVQM-QZTJIDSGSA-N	0	3	282.387	2.383	10	30		CEEEHN
CN(Cc1ccc(C#CCN)cc1)C(=O)N1CCCCC1	ZINC000091969681	180295195	/nfs/dbraw/zinc/29/51/95/180295195.db2.gz	UDRZQIDBOOZAQU-UHFFFAOYSA-N	0	3	285.391	2.035	10	30		CEEEHN
C[C@H]1CCCN(C(=O)Nc2cccc(C#CCN)c2)C1	ZINC000091992422	180300544	/nfs/dbraw/zinc/30/05/44/180300544.db2.gz	KELUKRRCIUCDHX-ZDUSSCGKSA-N	0	3	271.364	2.261	10	30		CEEEHN
CC1CCN(C(=O)Nc2ccccc2C#CCN)CC1	ZINC000091992406	180300629	/nfs/dbraw/zinc/30/06/29/180300629.db2.gz	CGNJTSWFVADDJS-UHFFFAOYSA-N	0	3	271.364	2.261	10	30		CEEEHN
N#CCCCCN1CCC(Nc2cccnn2)CC1	ZINC000105805947	186073061	/nfs/dbraw/zinc/07/30/61/186073061.db2.gz	CIKONKHCZRCWKX-UHFFFAOYSA-N	0	3	259.357	2.047	10	30		CEEEHN
C=CCNCC(=O)N(CC)Cc1ccccc1Cl	ZINC000092474687	180393941	/nfs/dbraw/zinc/39/39/41/180393941.db2.gz	UBROYYNYXVBSTO-UHFFFAOYSA-N	0	3	266.772	2.464	10	30		CEEEHN
C=CCNCC(=O)N1CCC[C@@H]1c1cccc(OC)c1	ZINC000092474590	180393985	/nfs/dbraw/zinc/39/39/85/180393985.db2.gz	UHEFLSFAMMIVFV-OAHLLOKOSA-N	0	3	274.364	2.134	10	30		CEEEHN
NCC#Cc1cccc(COc2ccccc2CO)c1	ZINC000110994476	186340679	/nfs/dbraw/zinc/34/06/79/186340679.db2.gz	NDEQDXQFBGSAHA-UHFFFAOYSA-N	0	3	267.328	2.068	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)C1	ZINC000069606456	362984371	/nfs/dbraw/zinc/98/43/71/362984371.db2.gz	WYMMDMVDQOUXCG-CQSZACIVSA-N	0	3	286.379	2.473	10	30		CEEEHN
Cc1ccc2c(ncc(C#N)c2N2CCNCC2)c1C	ZINC000072237030	363122570	/nfs/dbraw/zinc/12/25/70/363122570.db2.gz	PSFALGATIDWWLM-UHFFFAOYSA-N	0	3	266.348	2.133	10	30		CEEEHN
COc1ccc(C#N)cc1CN1CC[C@H](c2cnn(C)c2)C1	ZINC000120673924	365459284	/nfs/dbraw/zinc/45/92/84/365459284.db2.gz	VYVYWIYXZMVQAH-AWEZNQCLSA-N	0	3	296.374	2.290	10	30		CEEEHN
C[C@@H]1C[C@@H](CNCc2nc(C#N)cs2)C[C@H](C)O1	ZINC000352893375	369936876	/nfs/dbraw/zinc/93/68/76/369936876.db2.gz	LNKOXSNXMMRFNK-JGPRNRPPSA-N	0	3	265.382	2.308	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1	ZINC000246859578	371021728	/nfs/dbraw/zinc/02/17/28/371021728.db2.gz	FOOSOWDAPRLCOZ-BXUZGUMPSA-N	0	3	263.410	2.438	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C	ZINC000248614251	371222585	/nfs/dbraw/zinc/22/25/85/371222585.db2.gz	HVGGLIKRKLKRNS-IHRRRGAJSA-N	0	3	250.386	2.284	10	30		CEEEHN
C=CCOc1ccccc1CN[C@@H]1CCN(CC)C1	ZINC000389522141	375305293	/nfs/dbraw/zinc/30/52/93/375305293.db2.gz	HDSWSSIKMXYPJC-OAHLLOKOSA-N	0	3	260.381	2.435	10	30		CEEEHN
N#Cc1ccc(C(F)(F)F)nc1N1CCN2CCC[C@@H]2C1	ZINC000083629917	394640615	/nfs/dbraw/zinc/64/06/15/394640615.db2.gz	UXEZJSJWJUJKJV-LLVKDONJSA-N	0	3	296.296	2.256	10	30		CEEEHN
CC(C)(C#N)CCCN1CCCN(c2cccnn2)CC1	ZINC000174848533	395128862	/nfs/dbraw/zinc/12/88/62/395128862.db2.gz	ZWRDJAPDORUAFY-UHFFFAOYSA-N	0	3	287.411	2.319	10	30		CEEEHN
CC(C)c1nnc2n1C[C@H](NCc1ccc(C#N)cc1)CC2	ZINC000195404932	395465528	/nfs/dbraw/zinc/46/55/28/395465528.db2.gz	ASHDBOSGOWJXPD-OAHLLOKOSA-N	0	3	295.390	2.378	10	30		CEEEHN
C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1C(C)C	ZINC000661117101	415103492	/nfs/dbraw/zinc/10/34/92/415103492.db2.gz	OHXIQLIBPZXGTA-CHWSQXEVSA-N	0	3	263.389	2.479	10	30		CEEEHN
CN(Cc1ccc(C#CCO)s1)[C@@H]1CCSC1	ZINC000043679524	175090281	/nfs/dbraw/zinc/09/02/81/175090281.db2.gz	WCCJOLDQJMQFFV-LLVKDONJSA-N	0	3	267.419	2.029	10	30		CEEEHN
CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C#CCN)s1	ZINC000043683978	175091797	/nfs/dbraw/zinc/09/17/97/175091797.db2.gz	IEEANJQYYGGUBS-QWHCGFSZSA-N	0	3	278.421	2.058	10	30		CEEEHN
CCCO[C@H]1CCCN(Cc2cc(C#CCN)cs2)C1	ZINC000043689069	175095351	/nfs/dbraw/zinc/09/53/51/175095351.db2.gz	AAPZOHYYYQIENX-HNNXBMFYSA-N	0	3	292.448	2.449	10	30		CEEEHN
NCC#Cc1csc(Cn2cnc3ccccc32)c1	ZINC000043689181	175096312	/nfs/dbraw/zinc/09/63/12/175096312.db2.gz	JGZRBCYPLNVOIG-UHFFFAOYSA-N	0	3	267.357	2.456	10	30		CEEEHN
CCN1CCC[C@H]1CNC(=O)C1(C#N)CCCCCC1	ZINC000044765061	175248773	/nfs/dbraw/zinc/24/87/73/175248773.db2.gz	MAYOVERADSZMCF-AWEZNQCLSA-N	0	3	277.412	2.451	10	30		CEEEHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccccc2)C[C@@H](C)O1	ZINC000044808896	175257747	/nfs/dbraw/zinc/25/77/47/175257747.db2.gz	HHDRUGWEJKXHPK-NFAWXSAZSA-N	0	3	272.348	2.005	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCC(F)(F)F	ZINC000044812474	175257864	/nfs/dbraw/zinc/25/78/64/175257864.db2.gz	FHRWEXQTPYVLCV-SNVBAGLBSA-N	0	3	256.227	2.047	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN(CCOC)[C@@H](C)CC	ZINC000045182718	175325364	/nfs/dbraw/zinc/32/53/64/175325364.db2.gz	PNZJPMTXGNOSDK-GJZGRUSLSA-N	0	3	269.433	2.405	10	30		CEEEHN
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#CCN)cc1F	ZINC000071210987	176083410	/nfs/dbraw/zinc/08/34/10/176083410.db2.gz	GDFJAARMPILHHX-IAQYHMDHSA-N	0	3	274.339	2.054	10	30		CEEEHN
C#CCNC(=O)[C@@H](C)Oc1ccc(C)cc1CNC(C)C	ZINC000071406537	176155917	/nfs/dbraw/zinc/15/59/17/176155917.db2.gz	KHERWKQSSNUTHT-CQSZACIVSA-N	0	3	288.391	2.010	10	30		CEEEHN
C[C@@H]1CN2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000252962369	274375595	/nfs/dbraw/zinc/37/55/95/274375595.db2.gz	OYDCXCHXAJWDBL-RISCZKNCSA-N	0	3	286.335	2.139	10	30		CEEEHN
C=CCC[C@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263516018	330058695	/nfs/dbraw/zinc/05/86/95/330058695.db2.gz	OSHFQIPKYCPMEZ-GRTSSRMGSA-N	0	3	280.412	2.258	10	30		CEEEHN
C=CCC[C@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263516018	330058697	/nfs/dbraw/zinc/05/86/97/330058697.db2.gz	OSHFQIPKYCPMEZ-GRTSSRMGSA-N	0	3	280.412	2.258	10	30		CEEEHN
C=CCC[C@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1	ZINC000263516018	330058699	/nfs/dbraw/zinc/05/86/99/330058699.db2.gz	OSHFQIPKYCPMEZ-GRTSSRMGSA-N	0	3	280.412	2.258	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCCc2ccccc21	ZINC000424078654	330221293	/nfs/dbraw/zinc/22/12/93/330221293.db2.gz	QEWIISQKWDYRCI-GJZGRUSLSA-N	0	3	271.364	2.201	10	30		CEEEHN
CCCCCC(=O)NCc1ccc(C#CCN)cc1	ZINC000049586269	519933271	/nfs/dbraw/zinc/93/32/71/519933271.db2.gz	JMRPSJHKWXWADK-UHFFFAOYSA-N	0	3	258.365	2.193	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N1CCN(CCC)CC1	ZINC000068611235	520103223	/nfs/dbraw/zinc/10/32/23/520103223.db2.gz	OBFAVQCOMIJCPD-HOTGVXAUSA-N	0	3	280.460	2.074	10	30		CEEEHN
CC[C@@H](C)N1CCN(C[C@@](C#N)(NC(C)C)C2CC2)CC1	ZINC000069082468	522123173	/nfs/dbraw/zinc/12/31/73/522123173.db2.gz	UGMIPXHNQFDNOG-NVXWUHKLSA-N	0	3	292.471	2.073	10	30		CEEEHN
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(F)cc1C#CCN	ZINC000049105804	522293277	/nfs/dbraw/zinc/29/32/77/522293277.db2.gz	OURHGXIECODPOQ-VXGBXAGGSA-N	0	3	276.355	2.300	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@@H](N)CCOC	ZINC000052808052	519079430	/nfs/dbraw/zinc/07/94/30/519079430.db2.gz	LWHUVYQAPBLCFO-NSHDSACASA-N	0	3	280.393	2.267	10	30		CEEEHN
CC(C)CC(=O)N[C@H](C)c1ccc(C#CCN)cc1	ZINC000049586735	519602504	/nfs/dbraw/zinc/60/25/04/519602504.db2.gz	MXVRHWCYYXFIET-CYBMUJFWSA-N	0	3	258.365	2.220	10	30		CEEEHN
CC(C)CN1CCN([C@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068615063	519727799	/nfs/dbraw/zinc/72/77/99/519727799.db2.gz	VQJGSAXFMFVHDS-WBVHZDCISA-N	0	3	292.471	2.073	10	30		CEEEHN
CC(C)c1nccn1Cc1ccccc1C#CCN	ZINC000049610130	519879977	/nfs/dbraw/zinc/87/99/77/519879977.db2.gz	WBROWOXEHIHBQI-UHFFFAOYSA-N	0	3	253.349	2.365	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@@H](C)N1CCN(C(C)C)CC1	ZINC000068611636	520103102	/nfs/dbraw/zinc/10/31/02/520103102.db2.gz	RSJMPDMXUGOXDI-CVEARBPZSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCCCOC[C@H](O)CN[C@H](C)c1ccc(C#N)cc1	ZINC000227889330	520810521	/nfs/dbraw/zinc/81/05/21/520810521.db2.gz	RKDYOMGVAMSYCU-CZUORRHYSA-N	0	3	276.380	2.386	10	30		CEEEHN
CCN(CC1CC1)C(=O)c1ccc(F)cc1C#CCN	ZINC000069263395	520955270	/nfs/dbraw/zinc/95/52/70/520955270.db2.gz	BDEMNPZMFCQTSP-UHFFFAOYSA-N	0	3	274.339	2.008	10	30		CEEEHN
CCN(Cc1cc(C#CCCO)ccc1OC)C1CC1	ZINC000049617353	521286970	/nfs/dbraw/zinc/28/69/70/521286970.db2.gz	UZSMJYDANODZIS-UHFFFAOYSA-N	0	3	273.376	2.413	10	30		CEEEHN
CN(C)C[C@H]1CCCN1Cc1cc(C#N)ccc1F	ZINC000061644166	521868856	/nfs/dbraw/zinc/86/88/56/521868856.db2.gz	IQPPFGIQJVOWMY-CQSZACIVSA-N	0	3	261.344	2.223	10	30		CEEEHN
CNCc1ccccc1OCc1cccnc1C#N	ZINC000061656432	522139879	/nfs/dbraw/zinc/13/98/79/522139879.db2.gz	HPJQKZGRTUVCMA-UHFFFAOYSA-N	0	3	253.305	2.252	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN(C)[C@@H](C)C1CC1	ZINC000049618504	523515993	/nfs/dbraw/zinc/51/59/93/523515993.db2.gz	XEFNTQQFAIWGAW-ZDUSSCGKSA-N	0	3	273.376	2.269	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN1CCC(C)CC1	ZINC000049615539	523517490	/nfs/dbraw/zinc/51/74/90/523517490.db2.gz	ZWRPKEMBPRUJCS-UHFFFAOYSA-N	0	3	273.376	2.271	10	30		CEEEHN
COCCNCc1ccc(OCCCC#N)c([N+](=O)[O-])c1	ZINC000062730740	523953529	/nfs/dbraw/zinc/95/35/29/523953529.db2.gz	DINSIWZYZVNNDP-UHFFFAOYSA-N	0	3	293.323	2.013	10	30		CEEEHN
Cc1cc(SCc2ccccc2C#CCN)n(C)n1	ZINC000052311583	525437825	/nfs/dbraw/zinc/43/78/25/525437825.db2.gz	ZSQSNVPBFKONLR-UHFFFAOYSA-N	0	3	271.389	2.331	10	30		CEEEHN
Cc1nnc(N[C@H](CC(C)C)CN(C)C)c(C#N)c1C	ZINC000049559984	526374576	/nfs/dbraw/zinc/37/45/76/526374576.db2.gz	AGTWKPWPGIWBPH-CYBMUJFWSA-N	0	3	275.400	2.353	10	30		CEEEHN
N#Cc1ccccc1OCc1ccc(C#CCN)cc1	ZINC000049610824	526747216	/nfs/dbraw/zinc/74/72/16/526747216.db2.gz	DAGDNKHIXDAPGD-UHFFFAOYSA-N	0	3	262.312	2.447	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)Cc2cccnc2)c1	ZINC000061692038	527150129	/nfs/dbraw/zinc/15/01/29/527150129.db2.gz	DXTWGSPNDSACER-UHFFFAOYSA-N	0	3	299.761	2.226	10	30		CEEEHN
NCC#Cc1ccc(F)c(CNC(=O)C2CCCCC2)c1	ZINC000049587013	527152032	/nfs/dbraw/zinc/15/20/32/527152032.db2.gz	IHDSACMTYXKOMW-UHFFFAOYSA-N	0	3	288.366	2.332	10	30		CEEEHN
NCC#Cc1ccccc1COc1cccc([N+](=O)[O-])c1	ZINC000049611129	527154300	/nfs/dbraw/zinc/15/43/00/527154300.db2.gz	NVLOWJGRCWTIOM-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
C=C(Br)CN1C[C@H]2CCCCN2C[C@H]1C	ZINC000124327051	365650085	/nfs/dbraw/zinc/65/00/85/365650085.db2.gz	PAFJBGQREHYWIO-VXGBXAGGSA-N	0	3	273.218	2.454	10	30		CEEEHN
C#CCOC[C@@H](O)CN(CCC)Cc1ccc(F)cc1	ZINC000036095504	361827544	/nfs/dbraw/zinc/82/75/44/361827544.db2.gz	BOFJEWXFJGWRGB-INIZCTEOSA-N	0	3	279.355	2.048	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(C#N)s1	ZINC000126700381	187257245	/nfs/dbraw/zinc/25/72/45/187257245.db2.gz	JMYOTCUNXMMWFA-VXGBXAGGSA-N	0	3	261.394	2.288	10	30		CEEEHN
C[C@H]1CNCCN1c1ccc(C(F)(F)F)cc1C#N	ZINC000054374961	343589561	/nfs/dbraw/zinc/58/95/61/343589561.db2.gz	DUGIUOCISVTRKG-VIFPVBQESA-N	0	3	269.270	2.375	10	30		CEEEHN
Cn1cc([C@H]2CCN(Cc3cc(C#N)cs3)C2)cn1	ZINC000128531071	365793613	/nfs/dbraw/zinc/79/36/13/365793613.db2.gz	PZXOCWMOGODJMV-LBPRGKRZSA-N	0	3	272.377	2.343	10	30		CEEEHN
CCC1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1	ZINC000594427355	345626428	/nfs/dbraw/zinc/62/64/28/345626428.db2.gz	IMTCRLGPOMDAPC-RUXDESIVSA-N	0	3	265.401	2.483	10	30		CEEEHN
COc1ccc(N[C@@]2(C#N)CCCN(C)CC2)cc1	ZINC000086819694	179348119	/nfs/dbraw/zinc/34/81/19/179348119.db2.gz	VZYJIWXLDRFFBL-HNNXBMFYSA-N	0	3	259.353	2.485	10	30		CEEEHN
CC(C)N1CCC[C@](C#N)(NCC(F)(F)F)CC1	ZINC000086849665	179358330	/nfs/dbraw/zinc/35/83/30/179358330.db2.gz	NUHNFXMXWNKRFT-NSHDSACASA-N	0	3	263.307	2.295	10	30		CEEEHN
N#CCCN(C(=O)C[C@H]1CSCCN1)c1ccccc1	ZINC000091134220	180102950	/nfs/dbraw/zinc/10/29/50/180102950.db2.gz	MARXAFIFTGOBEU-ZDUSSCGKSA-N	0	3	289.404	2.028	10	30		CEEEHN
CCc1ccc(NC(=O)c2ccncc2C#CCN)cc1	ZINC000091461063	180161843	/nfs/dbraw/zinc/16/18/43/180161843.db2.gz	XCSJYWAQBVLYME-UHFFFAOYSA-N	0	3	279.343	2.207	10	30		CEEEHN
C[C@H]1CCCN(C(=O)Nc2ccc(C#CCN)cc2)C1	ZINC000091992410	180300411	/nfs/dbraw/zinc/30/04/11/180300411.db2.gz	SLWQOFQVIBVYSL-ZDUSSCGKSA-N	0	3	271.364	2.261	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1cc(C)sc1C	ZINC000092473660	180392795	/nfs/dbraw/zinc/39/27/95/180392795.db2.gz	NJTUFKMHOFPCNM-JTQLQIEISA-N	0	3	252.383	2.318	10	30		CEEEHN
NCC#Cc1csc(CSc2cnccn2)c1	ZINC000110914127	186332032	/nfs/dbraw/zinc/33/20/32/186332032.db2.gz	FAPGLHDFQHUAMV-UHFFFAOYSA-N	0	3	261.375	2.141	10	30		CEEEHN
C=CC1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CC1	ZINC000132394255	366140549	/nfs/dbraw/zinc/14/05/49/366140549.db2.gz	SFIHESHFRUGQFF-ZFWWWQNUSA-N	0	3	279.428	2.323	10	30		CEEEHN
N#Cc1cc(Cl)ccc1NC[C@@H](O)CN1CCCCC1	ZINC000174684920	283095481	/nfs/dbraw/zinc/09/54/81/283095481.db2.gz	BZKVTZRCMDJMKD-CQSZACIVSA-N	0	3	293.798	2.470	10	30		CEEEHN
CC[C@@](C)(C#N)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000136214396	366503355	/nfs/dbraw/zinc/50/33/55/366503355.db2.gz	CHSIXIYXEILKAM-OCCSQVGLSA-N	0	3	253.390	2.019	10	30		CEEEHN
C[C@@H](NCC(=O)NCC#N)c1ccc(C(C)(C)C)cc1	ZINC000154369169	366770836	/nfs/dbraw/zinc/77/08/36/366770836.db2.gz	QIKLCDSLWSWGJP-GFCCVEGCSA-N	0	3	273.380	2.274	10	30		CEEEHN
N#Cc1csc(CN2CCN3CCCC[C@@H]3C2)c1	ZINC000092616218	364087573	/nfs/dbraw/zinc/08/75/73/364087573.db2.gz	FPGXXYFOANYAQQ-CYBMUJFWSA-N	0	3	261.394	2.290	10	30		CEEEHN
C[C@H]1CN2CCC[C@@H]2CN1Cc1cc(C#N)cs1	ZINC000093437658	364180790	/nfs/dbraw/zinc/18/07/90/364180790.db2.gz	LATLCJBVGHPXJS-WCQYABFASA-N	0	3	261.394	2.288	10	30		CEEEHN
Cn1cc([C@H]2CCN(Cc3cccc(C#N)c3)C2)cn1	ZINC000116313332	365049100	/nfs/dbraw/zinc/04/91/00/365049100.db2.gz	LHZHNDDIXQDQCR-HNNXBMFYSA-N	0	3	266.348	2.281	10	30		CEEEHN
Cn1cc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cn1	ZINC000245952522	370893046	/nfs/dbraw/zinc/89/30/46/370893046.db2.gz	BHQOCBNQENRZNB-IAGOWNOFSA-N	0	3	296.374	2.162	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2C#N)C1	ZINC000188530396	369371087	/nfs/dbraw/zinc/37/10/87/369371087.db2.gz	WQXFPBPYMNEYGT-ABAIWWIYSA-N	0	3	289.354	2.156	10	30		CEEEHN
C=CCOc1ccccc1C(=O)N1CCN2CCC[C@H]2C1	ZINC000195329107	370126318	/nfs/dbraw/zinc/12/63/18/370126318.db2.gz	PTNMILUZHUCJFJ-AWEZNQCLSA-N	0	3	286.375	2.172	10	30		CEEEHN
CCN1CC[C@@H](Nc2ncc(Br)cc2C#N)C1	ZINC000389382005	375304223	/nfs/dbraw/zinc/30/42/23/375304223.db2.gz	NAOUUVRCAJPZKV-LLVKDONJSA-N	0	3	295.184	2.222	10	30		CEEEHN
C=CCOc1ccccc1CN[C@H]1CCN(CC)C1	ZINC000389522137	375306287	/nfs/dbraw/zinc/30/62/87/375306287.db2.gz	HDSWSSIKMXYPJC-HNNXBMFYSA-N	0	3	260.381	2.435	10	30		CEEEHN
N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCCCN1	ZINC000080994203	177750598	/nfs/dbraw/zinc/75/05/98/177750598.db2.gz	IENBWQIHZQYLJC-ZDUSSCGKSA-N	0	3	261.300	2.168	10	30		CEEEHN
CCN[C@@]1(C#N)CCC[C@H](N(C)CCc2ccccn2)C1	ZINC000093733580	184710155	/nfs/dbraw/zinc/71/01/55/184710155.db2.gz	TUJNICTYQLTIOH-IRXDYDNUSA-N	0	3	286.423	2.370	10	30		CEEEHN
COc1ccc([C@@]23C=CC(=O)C[C@@H]2N(C)CC3)cc1OC	ZINC000056871300	394562961	/nfs/dbraw/zinc/56/29/61/394562961.db2.gz	HDNHBCSWFYFPAN-IRXDYDNUSA-N	0	3	287.359	2.175	10	30	biogenic,in-vitro	CEEEHN
CN(C)[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000181506840	395217771	/nfs/dbraw/zinc/21/77/71/395217771.db2.gz	OHCBUGKFPGOMBY-OAHLLOKOSA-N	0	3	283.375	2.018	10	30		CEEEHN
C[C@H](c1ccccc1)[C@H](N)CC(=O)N1CCC[C@@H]1C#N	ZINC000206017141	395473744	/nfs/dbraw/zinc/47/37/44/395473744.db2.gz	TXWNWQCDGRBOSR-BPLDGKMQSA-N	0	3	271.364	2.022	10	30		CEEEHN
CCO[C@@H]1C[C@@H](NCC2(C#N)CCC2)C12CCOCC2	ZINC000333733881	286278841	/nfs/dbraw/zinc/27/88/41/286278841.db2.gz	UNAMVGRUEDWDMK-ZIAGYGMSSA-N	0	3	278.396	2.244	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1sccc1C#N	ZINC000176991971	165181808	/nfs/dbraw/zinc/18/18/08/165181808.db2.gz	JSKJWYKYTNVEFF-GFCCVEGCSA-N	0	3	277.393	2.176	10	30		CEEEHN
CCCOc1cccc([C@H](C#N)NCCN(C)C)c1	ZINC000020176669	171042740	/nfs/dbraw/zinc/04/27/40/171042740.db2.gz	XOVFICWWHVFHAO-HNNXBMFYSA-N	0	3	261.369	2.191	10	30		CEEEHN
CCc1nnc(NC(=O)CNC2CCCC2)s1	ZINC000021264463	171300345	/nfs/dbraw/zinc/30/03/45/171300345.db2.gz	VQMTVCYWNXQYHU-UHFFFAOYSA-N	0	3	254.359	2.221	10	30		CEEEHN
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(NCCC#N)C2	ZINC000040740356	174390415	/nfs/dbraw/zinc/39/04/15/174390415.db2.gz	QGYWPTQENVWPSG-YHWZYXNKSA-N	0	3	279.384	2.420	10	30		CEEEHN
NCC#Cc1ccsc1Cn1cnc2ccccc21	ZINC000043684352	175093175	/nfs/dbraw/zinc/09/31/75/175093175.db2.gz	SWUWFCKUIFZLMB-UHFFFAOYSA-N	0	3	267.357	2.456	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCCCN1CCN(C(C)C)CC1	ZINC000045311524	175356700	/nfs/dbraw/zinc/35/67/00/175356700.db2.gz	KNTFWMJBNGIKQX-QGZVFWFLSA-N	0	3	294.487	2.463	10	30		CEEEHN
CN(Cc1ccc(F)cc1/C(N)=N/O)CC(C)(C)C	ZINC000071267069	176100721	/nfs/dbraw/zinc/10/07/21/176100721.db2.gz	QYGPNBKOAJJDGZ-UHFFFAOYSA-N	0	3	267.348	2.398	10	30		CEEEHN
C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CCCN1CC	ZINC000249258574	261248681	/nfs/dbraw/zinc/24/86/81/261248681.db2.gz	HAGNRSBLDNCRHF-ZBFHGGJFSA-N	0	3	282.428	2.158	10	30		CEEEHN
CC[C@H](C#N)NC(=O)[C@H]1CCCCN1C1CCCC1	ZINC000370059472	267286974	/nfs/dbraw/zinc/28/69/74/267286974.db2.gz	IOYRIRNNBOSGMJ-TZMCWYRMSA-N	0	3	263.385	2.202	10	30		CEEEHN
C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCN1	ZINC000122876842	274592779	/nfs/dbraw/zinc/59/27/79/274592779.db2.gz	HURDCCSQECGIED-VIFPVBQESA-N	0	3	269.270	2.375	10	30		CEEEHN
C[C@H]1CNCCN1c1ccc(C(F)(F)F)c(C#N)c1	ZINC000261929801	279908549	/nfs/dbraw/zinc/90/85/49/279908549.db2.gz	JNLUJVJHHLZEKQ-VIFPVBQESA-N	0	3	269.270	2.375	10	30		CEEEHN
C=CCSCCNC(=O)N(C)C[C@@H]1CCCN1CC	ZINC000177463363	329184243	/nfs/dbraw/zinc/18/42/43/329184243.db2.gz	KJQWHYYKIVKKFN-ZDUSSCGKSA-N	0	3	285.457	2.031	10	30		CEEEHN
COc1ccc([C@H](C)NCCOCCC#N)cc1OC	ZINC000293819564	327155296	/nfs/dbraw/zinc/15/52/96/327155296.db2.gz	OXEKZJRBMRWKBF-LBPRGKRZSA-N	0	3	278.352	2.285	10	30		CEEEHN
C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)CCC)cc1	ZINC000262309452	330005340	/nfs/dbraw/zinc/00/53/40/330005340.db2.gz	NIBBJPZLUBYNID-CYBMUJFWSA-N	0	3	290.367	2.060	10	30		CEEEHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424065415	330219291	/nfs/dbraw/zinc/21/92/91/330219291.db2.gz	LIGUWDHLMQJOKZ-ZANVPECISA-N	0	3	281.306	2.163	10	30		CEEEHN
C=C(Br)CN1C[C@H]2CCCN2C[C@H]1CC	ZINC000136076903	334145998	/nfs/dbraw/zinc/14/59/98/334145998.db2.gz	KSPHWPZHJHIPGN-VXGBXAGGSA-N	0	3	273.218	2.454	10	30		CEEEHN
CC(C)CN1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1	ZINC000055081120	519726231	/nfs/dbraw/zinc/72/62/31/519726231.db2.gz	XFWPDIBMZGMFMA-KRWDZBQOSA-N	0	3	294.487	2.320	10	30		CEEEHN
C#CCOc1c(Br)cccc1CNCCOC	ZINC000062733785	518315116	/nfs/dbraw/zinc/31/51/16/518315116.db2.gz	NVRTVXNFCJSIOM-UHFFFAOYSA-N	0	3	298.180	2.197	10	30		CEEEHN
C=C(Br)COc1cc(CN)ccc1[N+](=O)[O-]	ZINC000050516306	518585173	/nfs/dbraw/zinc/58/51/73/518585173.db2.gz	DFZZJWRGODRQOF-UHFFFAOYSA-N	0	3	287.113	2.341	10	30		CEEEHN
C=C(C)COc1ccc(CNCCOC)cc1OC	ZINC000062731943	518613764	/nfs/dbraw/zinc/61/37/64/518613764.db2.gz	PTONVGNVPYPTOT-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
C=CC[C@H](CO)NCc1cnc2c(cnn2C(C)C)c1	ZINC000184270617	519118800	/nfs/dbraw/zinc/11/88/00/519118800.db2.gz	QIQDXPYYVXOCTA-CQSZACIVSA-N	0	3	274.368	2.039	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@H](C)N1CCN(CCC)CC1	ZINC000068611239	520033899	/nfs/dbraw/zinc/03/38/99/520033899.db2.gz	OBFAVQCOMIJCPD-JKSUJKDBSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCCN1CCN(CC(C)C)CC1	ZINC000055081142	520128107	/nfs/dbraw/zinc/12/81/07/520128107.db2.gz	AHVIOIZIPNXVCG-QGZVFWFLSA-N	0	3	294.487	2.322	10	30		CEEEHN
CCN(Cc1cccc(C#CCO)c1)C[C@@H]1CCCO1	ZINC000049613779	521337688	/nfs/dbraw/zinc/33/76/88/521337688.db2.gz	HAUMQNMROWFQTL-KRWDZBQOSA-N	0	3	273.376	2.031	10	30		CEEEHN
CCC(CC)C(=O)NCc1cc(C#CCN)ccc1F	ZINC000049587035	521496211	/nfs/dbraw/zinc/49/62/11/521496211.db2.gz	KNOKACQNIJYDIK-UHFFFAOYSA-N	0	3	276.355	2.188	10	30		CEEEHN
CCN1CCC(N(C)C(=O)[C@@H](C#N)c2ccccc2)CC1	ZINC000061615208	521556886	/nfs/dbraw/zinc/55/68/86/521556886.db2.gz	DDSAHJSYLDXBAE-INIZCTEOSA-N	0	3	285.391	2.236	10	30		CEEEHN
CC[C@@H](C)N1CCN(Cc2sccc2C#CCO)CC1	ZINC000055069363	522128516	/nfs/dbraw/zinc/12/85/16/522128516.db2.gz	OBFROMVCJFTNIV-CQSZACIVSA-N	0	3	292.448	2.008	10	30		CEEEHN
CN(CCC#N)C(=O)CN1CCC2(CCCCC2)CC1	ZINC000061559746	522668901	/nfs/dbraw/zinc/66/89/01/522668901.db2.gz	KVNXVAGODQRYEZ-UHFFFAOYSA-N	0	3	277.412	2.405	10	30		CEEEHN
CC[C@@H](NC(=O)c1ccc(OC)c(C#CCN)c1)C(C)C	ZINC000049148560	522787396	/nfs/dbraw/zinc/78/73/96/522787396.db2.gz	CSWCWKUJDWRROU-OAHLLOKOSA-N	0	3	288.391	2.170	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCN)C[C@H]1CCCCO1	ZINC000049609533	523253727	/nfs/dbraw/zinc/25/37/27/523253727.db2.gz	YHOUGSVCKXUZGZ-QGZVFWFLSA-N	0	3	290.382	2.137	10	30		CEEEHN
CN(Cc1ccncc1)Cc1ccc(C#CCN)cc1	ZINC000049609300	523461932	/nfs/dbraw/zinc/46/19/32/523461932.db2.gz	RZAJRSDYCZNDIC-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
C[C@H]1CCCN(Cc2ccc(C#CCO)cc2F)C1	ZINC000049616067	524093244	/nfs/dbraw/zinc/09/32/44/524093244.db2.gz	GVLRAIMDWXATCD-ZDUSSCGKSA-N	0	3	261.340	2.401	10	30		CEEEHN
C[C@@H](CN1CCCC1)NCc1ccc(C#N)cc1F	ZINC000049180278	524593494	/nfs/dbraw/zinc/59/34/94/524593494.db2.gz	IWJLYVBPYXZCJN-LBPRGKRZSA-N	0	3	261.344	2.271	10	30		CEEEHN
Cc1nn(Cc2ccc(C#CCN)cc2)c(C)c1C	ZINC000049610241	526288420	/nfs/dbraw/zinc/28/84/20/526288420.db2.gz	XDTLOQGPVOIPJK-UHFFFAOYSA-N	0	3	253.349	2.167	10	30		CEEEHN
OCCC#Cc1cccc(CN2CCCSCC2)c1	ZINC000049615045	527531154	/nfs/dbraw/zinc/53/11/54/527531154.db2.gz	HMLAWNBGDUIYOU-UHFFFAOYSA-N	0	3	275.417	2.359	10	30		CEEEHN
C#C[C@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000185987780	642054419	/nfs/dbraw/zinc/05/44/19/642054419.db2.gz	BGGVQTDJWDJCLX-RDJZCZTQSA-N	0	3	299.418	2.362	10	30		CEEEHN
C=CCCO[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000125166811	187173093	/nfs/dbraw/zinc/17/30/93/187173093.db2.gz	ZHAOJHDSLIALFD-ZBFHGGJFSA-N	0	3	290.407	2.387	10	30		CEEEHN
Cc1cc(Br)cc(CN)c1OCC#N	ZINC000159307316	344454634	/nfs/dbraw/zinc/45/46/34/344454634.db2.gz	VUOALULUWIUFJO-UHFFFAOYSA-N	0	3	255.115	2.119	10	30		CEEEHN
CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCn2ccnc2C1	ZINC000328628555	344756481	/nfs/dbraw/zinc/75/64/81/344756481.db2.gz	NVXCQLCRRWWXAZ-UONOGXRCSA-N	0	3	290.411	2.276	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cc(F)ccc1C#CCN	ZINC000086081147	179227456	/nfs/dbraw/zinc/22/74/56/179227456.db2.gz	CVAKZXXMOYJEQX-OZVIIMIRSA-N	0	3	288.366	2.300	10	30		CEEEHN
C[C@H](CNc1c(C#N)nnc2ccccc21)N1CCCC1	ZINC000086485423	179301277	/nfs/dbraw/zinc/30/12/77/179301277.db2.gz	RYKOPDMVFRJLEL-GFCCVEGCSA-N	0	3	281.363	2.398	10	30		CEEEHN
CC[C@H]([NH3+])[C@@]([O-])(c1cc(F)cc(C#N)c1)C(F)(F)F	ZINC000091332087	180135985	/nfs/dbraw/zinc/13/59/85/180135985.db2.gz	FPOGQEZJUCATSL-QWRGUYRKSA-N	0	3	276.233	2.185	10	30		CEEEHN
C[C@@H](CCO)SCc1ccc(F)c(C#CCN)c1	ZINC000091266356	180117305	/nfs/dbraw/zinc/11/73/05/180117305.db2.gz	YABJZMGWQPMOBT-NSHDSACASA-N	0	3	267.369	2.140	10	30		CEEEHN
C[C@@H](CCO)SCc1ccc(C#CCN)cc1F	ZINC000091266319	180117309	/nfs/dbraw/zinc/11/73/09/180117309.db2.gz	MQJHKRAFZKSEOR-NSHDSACASA-N	0	3	267.369	2.140	10	30		CEEEHN
CCCCC[C@H](C)NC(=O)c1ccncc1C#CCN	ZINC000091462154	180162170	/nfs/dbraw/zinc/16/21/70/180162170.db2.gz	CBOQLFLAATUPMT-ZDUSSCGKSA-N	0	3	273.380	2.090	10	30		CEEEHN
CC[C@H]1CCC[C@@H](NC(=O)c2ccncc2C#CCN)C1	ZINC000091463586	180162409	/nfs/dbraw/zinc/16/24/09/180162409.db2.gz	BIVHYDUCTSYBRB-DZGCQCFKSA-N	0	3	285.391	2.090	10	30		CEEEHN
CC1(C)C(C(=O)NCc2cc(C#CCN)cs2)C1(C)C	ZINC000091493013	180170862	/nfs/dbraw/zinc/17/08/62/180170862.db2.gz	JNWJGAXXLSHJAQ-UHFFFAOYSA-N	0	3	290.432	2.357	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)Nc2cccc(C#CCN)c2)C1	ZINC000091992416	180300254	/nfs/dbraw/zinc/30/02/54/180300254.db2.gz	KELUKRRCIUCDHX-CYBMUJFWSA-N	0	3	271.364	2.261	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)Nc2ccc(C#CCN)cc2)C1	ZINC000091992407	180300574	/nfs/dbraw/zinc/30/05/74/180300574.db2.gz	SLWQOFQVIBVYSL-CYBMUJFWSA-N	0	3	271.364	2.261	10	30		CEEEHN
C=CCNCC(=O)N(C)[C@H](C)c1ccc(F)cc1	ZINC000105996709	186096466	/nfs/dbraw/zinc/09/64/66/186096466.db2.gz	NVOZQCMEVIVRIS-LLVKDONJSA-N	0	3	250.317	2.121	10	30		CEEEHN
CC(C)[C@@H](CO)NC1CC(C#N)(c2ccccc2)C1	ZINC000092392504	180375817	/nfs/dbraw/zinc/37/58/17/180375817.db2.gz	LXIVYUDQTFEJOA-HWOWSKLDSA-N	0	3	258.365	2.217	10	30		CEEEHN
Cc1c(F)cc(C#N)cc1NC(=O)CNC(C)(C)C	ZINC000092460735	180389811	/nfs/dbraw/zinc/38/98/11/180389811.db2.gz	GIIURWGFIKQYOK-UHFFFAOYSA-N	0	3	263.316	2.332	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCO)C[C@@H]1CCCOC1	ZINC000111168280	186363801	/nfs/dbraw/zinc/36/38/01/186363801.db2.gz	UXUGXOJMHKYYBO-AWEZNQCLSA-N	0	3	291.366	2.028	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)cc2)C1	ZINC000155753493	188225179	/nfs/dbraw/zinc/22/51/79/188225179.db2.gz	DYJRVOUFOWYELT-DOMZBBRYSA-N	0	3	271.364	2.017	10	30		CEEEHN
Cc1cc(N2CCN(CC3CC3)CC2)c(C#N)c(C)n1	ZINC000133755250	366252040	/nfs/dbraw/zinc/25/20/40/366252040.db2.gz	AYADHTIXHGXZOU-UHFFFAOYSA-N	0	3	270.380	2.102	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000180677464	189269417	/nfs/dbraw/zinc/26/94/17/189269417.db2.gz	AJAYHIBSSXYSML-UONOGXRCSA-N	0	3	298.390	2.214	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)C(C#N)(CC)CC	ZINC000092630799	364089957	/nfs/dbraw/zinc/08/99/57/364089957.db2.gz	IMVCHSYECXRSFT-ZDUSSCGKSA-N	0	3	265.401	2.259	10	30		CEEEHN
Cn1cc([C@H]2CCN(Cc3ccc(C#N)cc3)C2)cn1	ZINC000116323998	365051725	/nfs/dbraw/zinc/05/17/25/365051725.db2.gz	FRURUMRIGHHODO-HNNXBMFYSA-N	0	3	266.348	2.281	10	30		CEEEHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)C(C)C	ZINC000246151238	370916928	/nfs/dbraw/zinc/91/69/28/370916928.db2.gz	SYPHLZYVAJQXRV-SOUVJXGZSA-N	0	3	279.428	2.393	10	30		CEEEHN
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCCC#N	ZINC000195234456	370116783	/nfs/dbraw/zinc/11/67/83/370116783.db2.gz	YUVAEGVFWHEQHF-RDBSUJKOSA-N	0	3	264.369	2.486	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000248619349	371223878	/nfs/dbraw/zinc/22/38/78/371223878.db2.gz	KMNBOBCRPPTTSV-BFHYXJOUSA-N	0	3	252.402	2.434	10	30		CEEEHN
CCN1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1	ZINC000389478161	375304030	/nfs/dbraw/zinc/30/40/30/375304030.db2.gz	WSGOYYPBTQGGNS-JTQLQIEISA-N	0	3	284.285	2.478	10	30		CEEEHN
N#C[C@@H]1CCCCC[C@@H]1NCCCC(=O)NC1CC1	ZINC000092988204	184641435	/nfs/dbraw/zinc/64/14/35/184641435.db2.gz	GLZSQRYUQLZIDS-JSGCOSHPSA-N	0	3	263.385	2.107	10	30		CEEEHN
N#Cc1cc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)ccc1F	ZINC000398994654	395241158	/nfs/dbraw/zinc/24/11/58/395241158.db2.gz	JMVBESIQRNBQRL-AEGPPILISA-N	0	3	274.339	2.290	10	30		CEEEHN
C(#Cc1ccccc1)CN1CCN2CCCC[C@@H]2C1	ZINC000192108500	395373167	/nfs/dbraw/zinc/37/31/67/395373167.db2.gz	SIMBHFFXODFQQI-QGZVFWFLSA-N	0	3	254.377	2.208	10	30		CEEEHN
CCCCOCCNCc1cccc(OCC#N)c1	ZINC000040506823	174302002	/nfs/dbraw/zinc/30/20/02/174302002.db2.gz	IWZRJFBQLAVTBW-UHFFFAOYSA-N	0	3	262.353	2.495	10	30		CEEEHN
C[C@H](NCC(=O)NCC#N)c1ccc2ccccc2c1	ZINC000181503547	414836369	/nfs/dbraw/zinc/83/63/69/414836369.db2.gz	CZJFVRYXARLOGB-LBPRGKRZSA-N	0	3	267.332	2.130	10	30		CEEEHN
N#Cc1c(F)cccc1O[C@@H](CN)c1ccncc1	ZINC000043356206	175023515	/nfs/dbraw/zinc/02/35/15/175023515.db2.gz	WLOKBMAXYJNZQM-AWEZNQCLSA-N	0	3	257.268	2.171	10	30		CEEEHN
CN(Cc1ccc(C#CCN)s1)Cc1ccccn1	ZINC000043683712	175092020	/nfs/dbraw/zinc/09/20/20/175092020.db2.gz	CHZGQCFOTRALTG-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
Cc1nn(Cc2ccc(C#CCN)s2)c(C)c1C	ZINC000043684429	175093193	/nfs/dbraw/zinc/09/31/93/175093193.db2.gz	NNAZVQGLEAKAKS-UHFFFAOYSA-N	0	3	259.378	2.228	10	30		CEEEHN
Cc1nnc(NC[C@@H](C)N2CCCCC2)c(C#N)c1C	ZINC000045008791	175288763	/nfs/dbraw/zinc/28/87/63/175288763.db2.gz	LLGWQVRFRFQTOB-LLVKDONJSA-N	0	3	273.384	2.251	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCN1CCN(CCC)CC1	ZINC000045306444	175355532	/nfs/dbraw/zinc/35/55/32/175355532.db2.gz	ZXKHHALLIXBASZ-MRXNPFEDSA-N	0	3	280.460	2.076	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCCCN1CCN(C2CC2)CC1	ZINC000045320517	175359210	/nfs/dbraw/zinc/35/92/10/175359210.db2.gz	LZPXTRAZCHAWJU-KRWDZBQOSA-N	0	3	292.471	2.217	10	30		CEEEHN
NCC#Cc1ccc(F)c(CN2CCCCCC2=O)c1	ZINC000071278327	176107817	/nfs/dbraw/zinc/10/78/17/176107817.db2.gz	YCCJZXOXYHFMJF-UHFFFAOYSA-N	0	3	274.339	2.039	10	30		CEEEHN
Cc1cc(C#CCN)ccc1N1CCCCCC1=O	ZINC000071278321	176107850	/nfs/dbraw/zinc/10/78/50/176107850.db2.gz	ATSRWXIIJAVZLU-UHFFFAOYSA-N	0	3	256.349	2.212	10	30		CEEEHN
C=CCC[C@H](CC)[NH2+]C1CC(N(CC)CC(=O)[O-])C1	ZINC000263475518	330057216	/nfs/dbraw/zinc/05/72/16/330057216.db2.gz	FGAOUNBVPRQBQO-HSBZDZAISA-N	0	3	268.401	2.258	10	30		CEEEHN
N#CCCC[C@@H](N)C(=O)N[C@H]1CCCc2ccccc21	ZINC000424078648	330221280	/nfs/dbraw/zinc/22/12/80/330221280.db2.gz	QEWIISQKWDYRCI-CABCVRRESA-N	0	3	271.364	2.201	10	30		CEEEHN
C=CCN1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000190356130	333206032	/nfs/dbraw/zinc/20/60/32/333206032.db2.gz	DGEKGJYDJSFNJP-UHFFFAOYSA-N	0	3	282.428	2.300	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1cccc(C#CCN)c1	ZINC000050890995	521147229	/nfs/dbraw/zinc/14/72/29/521147229.db2.gz	FSDZTAGNUUMWBP-ZDUSSCGKSA-N	0	3	258.365	2.305	10	30		CEEEHN
C=CCN(CC=C)C[C@@H](O)COCc1ccccc1	ZINC000068048756	518770569	/nfs/dbraw/zinc/77/05/69/518770569.db2.gz	QMPNWMBIVZGSOB-MRXNPFEDSA-N	0	3	261.365	2.238	10	30		CEEEHN
C=CC[C@@H](CO)NCc1cnc2c(cnn2C(C)C)c1	ZINC000184270599	519104009	/nfs/dbraw/zinc/10/40/09/519104009.db2.gz	QIQDXPYYVXOCTA-AWEZNQCLSA-N	0	3	274.368	2.039	10	30		CEEEHN
CCN[C@](C)(C#N)C[C@H](C)N(C)CCc1ccncc1	ZINC000068611945	520225265	/nfs/dbraw/zinc/22/52/65/520225265.db2.gz	BFIOWRIEMPWZNG-HOCLYGCPSA-N	0	3	274.412	2.226	10	30		CEEEHN
CCOC(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061692070	520993706	/nfs/dbraw/zinc/99/37/06/520993706.db2.gz	ZRBVWZUFHLWGHP-UHFFFAOYSA-N	0	3	252.701	2.219	10	30		CEEEHN
CCC(CC)C(=O)NCc1ccc(C#CCN)cc1	ZINC000049586312	521498838	/nfs/dbraw/zinc/49/88/38/521498838.db2.gz	HKESDERULMCYLR-UHFFFAOYSA-N	0	3	258.365	2.049	10	30		CEEEHN
CC[C@@H]1CCCC[C@H]1NC(=O)c1cncc(C#CCN)c1	ZINC000049629641	523222507	/nfs/dbraw/zinc/22/25/07/523222507.db2.gz	FOOCXHDWWBIYGY-GDBMZVCRSA-N	0	3	285.391	2.090	10	30		CEEEHN
CN(Cc1ccc(F)cc1C#CCCO)[C@H]1CCSC1	ZINC000049617850	523254378	/nfs/dbraw/zinc/25/43/78/523254378.db2.gz	PISSBHQQTSXDRE-INIZCTEOSA-N	0	3	293.407	2.497	10	30		CEEEHN
CN(Cc1ccccc1C#CCCO)C[C@H]1CCCCO1	ZINC000049613688	523357312	/nfs/dbraw/zinc/35/73/12/523357312.db2.gz	UTQYQZXKZMDCLT-GOSISDBHSA-N	0	3	287.403	2.421	10	30		CEEEHN
CC[C@H](C#N)Oc1cc(CNCCOC)ccc1OC	ZINC000062732652	523750016	/nfs/dbraw/zinc/75/00/16/523750016.db2.gz	GRFFADKJLLLJAM-CYBMUJFWSA-N	0	3	278.352	2.112	10	30		CEEEHN
CC[C@H](C)C(=O)N(C)Cc1ccccc1C#CCN	ZINC000049586851	523821870	/nfs/dbraw/zinc/82/18/70/523821870.db2.gz	MBCQAJDCYVZNBG-ZDUSSCGKSA-N	0	3	258.365	2.001	10	30		CEEEHN
CC[C@H](C)N1CCN(c2ccc(N)cc2C#N)CC1	ZINC000055066239	523960502	/nfs/dbraw/zinc/96/05/02/523960502.db2.gz	WYKMFLQRWFTWLR-LBPRGKRZSA-N	0	3	258.369	2.061	10	30		CEEEHN
COc1ccc(CN(C)Cc2ccoc2)cc1C#CCN	ZINC000049609736	524005500	/nfs/dbraw/zinc/00/55/00/524005500.db2.gz	XDSILFXFMQEYMZ-UHFFFAOYSA-N	0	3	284.359	2.230	10	30		CEEEHN
C[C@H](NC(=O)Cc1cccs1)c1cccc(C#CCN)c1	ZINC000049587247	524990543	/nfs/dbraw/zinc/99/05/43/524990543.db2.gz	XJUFHTATKPVNCJ-ZDUSSCGKSA-N	0	3	298.411	2.478	10	30		CEEEHN
NCC#Cc1ccc(F)c(CNC(=O)c2ccsc2)c1	ZINC000049587027	527151402	/nfs/dbraw/zinc/15/14/02/527151402.db2.gz	DPLGDWAVXNYZAX-UHFFFAOYSA-N	0	3	288.347	2.127	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)c2ccc(F)cc2)c1	ZINC000049586505	527151941	/nfs/dbraw/zinc/15/19/41/527151941.db2.gz	GYFHPPXNXICFPP-UHFFFAOYSA-N	0	3	282.318	2.066	10	30		CEEEHN
NCC#Cc1cccc(COC[C@H]2CCCCO2)c1	ZINC000049610765	527153182	/nfs/dbraw/zinc/15/31/82/527153182.db2.gz	KJJLVXDBLHEJDI-MRXNPFEDSA-N	0	3	259.349	2.083	10	30		CEEEHN
NCC#Cc1cccc(COc2ccc([N+](=O)[O-])cc2)c1	ZINC000049611125	527153610	/nfs/dbraw/zinc/15/36/10/527153610.db2.gz	BEJCFSBQUKVFLR-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
Cn1cc(SCc2ccc(F)cc2C#CCN)cn1	ZINC000049612945	527291298	/nfs/dbraw/zinc/29/12/98/527291298.db2.gz	IRPKALLJFFINKW-UHFFFAOYSA-N	0	3	275.352	2.162	10	30		CEEEHN
Cn1cc(SCc2cccc(C#CCN)c2)cn1	ZINC000049612943	527292368	/nfs/dbraw/zinc/29/23/68/527292368.db2.gz	GVVXYOXQWDUIOY-UHFFFAOYSA-N	0	3	257.362	2.023	10	30		CEEEHN
C#CCCCNC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000173563649	639866457	/nfs/dbraw/zinc/86/64/57/639866457.db2.gz	IVDYHGOISAPSQS-OAHLLOKOSA-N	0	3	273.380	2.002	10	30		CEEEHN
C#C[C@H](C)N[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000123113896	648796029	/nfs/dbraw/zinc/79/60/29/648796029.db2.gz	OIXACPIGYRHORQ-WDEREUQCSA-N	0	3	263.337	2.385	10	30		CEEEHN
C=C[C@@H](N)c1ccccc1I	ZINC000095779237	185028338	/nfs/dbraw/zinc/02/83/38/185028338.db2.gz	DAKNNJPOUMXWGN-SECBINFHSA-N	0	3	259.090	2.477	10	30		CEEEHN
CC(C)(N)C#Cc1c[nH]c2cncc(Br)c12	ZINC000725245977	539191805	/nfs/dbraw/zinc/19/18/05/539191805.db2.gz	NQGSLSUENAJRRF-UHFFFAOYSA-N	0	3	278.153	2.414	10	30		CEEEHN
N#CNC(=N)CCCOc1cccc(CN2CCCC2)c1	ZINC000027985333	343395199	/nfs/dbraw/zinc/39/51/99/343395199.db2.gz	PPVQIRIFAHZSPH-UHFFFAOYSA-N	0	3	286.379	2.280	10	30		CEEEHN
C[C@H]1CNCCN1c1ccc(C#N)c(C(F)(F)F)c1	ZINC000034472666	343420107	/nfs/dbraw/zinc/42/01/07/343420107.db2.gz	GGWUVDPHMQZODB-VIFPVBQESA-N	0	3	269.270	2.375	10	30		CEEEHN
CCC[C@H]1C[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000233400742	344581649	/nfs/dbraw/zinc/58/16/49/344581649.db2.gz	TZGJBBXLYPKZLJ-DZGCQCFKSA-N	0	3	292.404	2.110	10	30		CEEEHN
COc1ccc([C@@](C#N)(CC#CCN)C(C)C)cc1OC	ZINC000584594539	344961446	/nfs/dbraw/zinc/96/14/46/344961446.db2.gz	LNXJFUWTABNGSZ-QGZVFWFLSA-N	0	3	286.375	2.473	10	30		CEEEHN
C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccccc1C#CCN	ZINC000086081127	179227466	/nfs/dbraw/zinc/22/74/66/179227466.db2.gz	UTDYKKDSNZYXRF-ZENOOKHLSA-N	0	3	270.376	2.161	10	30		CEEEHN
CCOC(=O)CCNC1CC(C#N)(c2ccccc2)C1	ZINC000086037863	179221485	/nfs/dbraw/zinc/22/14/85/179221485.db2.gz	ZRODNZLMIDNXSX-UHFFFAOYSA-N	0	3	272.348	2.153	10	30		CEEEHN
Cn1cc([C@H]2CCN(Cc3ccc(C#N)s3)C2)cn1	ZINC000128506647	187374972	/nfs/dbraw/zinc/37/49/72/187374972.db2.gz	BYUFCRVERFGERX-NSHDSACASA-N	0	3	272.377	2.343	10	30		CEEEHN
CCCN1CCC[C@](C#N)(NCC(F)(F)F)CC1	ZINC000086849673	179358138	/nfs/dbraw/zinc/35/81/38/179358138.db2.gz	FIADHEKZZKYLEC-NSHDSACASA-N	0	3	263.307	2.297	10	30		CEEEHN
CCC(O)(CC)CNCc1cc(C#N)ccc1F	ZINC000087028272	179381709	/nfs/dbraw/zinc/38/17/09/179381709.db2.gz	JUQIPBIQUJITHX-UHFFFAOYSA-N	0	3	250.317	2.338	10	30		CEEEHN
Cc1cc([C@H](C#N)NCCN(C)C)ccc1Br	ZINC000091471462	180165278	/nfs/dbraw/zinc/16/52/78/180165278.db2.gz	RRAMSGXHNFEQFO-ZDUSSCGKSA-N	0	3	296.212	2.473	10	30		CEEEHN
CN1CCC(O)([C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000091878270	180278593	/nfs/dbraw/zinc/27/85/93/180278593.db2.gz	ORBOCKJPFIDLCB-MRXNPFEDSA-N	0	3	270.376	2.142	10	30		CEEEHN
CN(c1cccnn1)C1CCN(CCCCC#N)CC1	ZINC000105807422	186073113	/nfs/dbraw/zinc/07/31/13/186073113.db2.gz	UFPSOJNVZJIDPA-UHFFFAOYSA-N	0	3	273.384	2.071	10	30		CEEEHN
C=CCNCC(=O)N(C)C1C2CC3CC(C2)CC1C3	ZINC000092474705	180394187	/nfs/dbraw/zinc/39/41/87/180394187.db2.gz	OYRHECYUTLDXEO-UHFFFAOYSA-N	0	3	262.397	2.045	10	30		CEEEHN
CCCC(C#N)(CCC)C(=O)N1CC[C@H](N(C)C)C1	ZINC000110250179	186288690	/nfs/dbraw/zinc/28/86/90/186288690.db2.gz	QKFHKHCUVWTCFA-ZDUSSCGKSA-N	0	3	265.401	2.259	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)cs2)C1	ZINC000177140290	189031581	/nfs/dbraw/zinc/03/15/81/189031581.db2.gz	IJPOYWPZPGMLLN-PWSUYJOCSA-N	0	3	277.393	2.078	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(-n2ccnc2)c1	ZINC000180677446	189269514	/nfs/dbraw/zinc/26/95/14/189269514.db2.gz	AJAYHIBSSXYSML-KGLIPLIRSA-N	0	3	298.390	2.214	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(C#N)c1	ZINC000092630737	364090386	/nfs/dbraw/zinc/09/03/86/364090386.db2.gz	LDMFLZZKYVNEHV-OAHLLOKOSA-N	0	3	271.364	2.115	10	30		CEEEHN
C=CCNCC(=O)N[C@@H](C)c1ccccc1Cl	ZINC000095081775	364335088	/nfs/dbraw/zinc/33/50/88/364335088.db2.gz	MUWPCAJRGHXLEL-JTQLQIEISA-N	0	3	252.745	2.293	10	30		CEEEHN
Cc1cc(C#N)cc(N2C[C@@H]3CCCCN3C[C@@H]2C)n1	ZINC000161093624	367056610	/nfs/dbraw/zinc/05/66/10/367056610.db2.gz	OKRULNDUFUXAPS-ZFWWWQNUSA-N	0	3	270.380	2.325	10	30		CEEEHN
CCCC(=O)N[C@@H]1CCCN(CCCSCC#N)C1	ZINC000173878595	367954657	/nfs/dbraw/zinc/95/46/57/367954657.db2.gz	PGGJTNLROJAWGB-CYBMUJFWSA-N	0	3	283.441	2.014	10	30		CEEEHN
N#Cc1ccc(CN2CCN3CCCC[C@H]3C2)cc1	ZINC000246251560	370936357	/nfs/dbraw/zinc/93/63/57/370936357.db2.gz	WSJDXTVNNZFGEA-INIZCTEOSA-N	0	3	255.365	2.228	10	30		CEEEHN
Cn1cc([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)cn1	ZINC000192029303	369765543	/nfs/dbraw/zinc/76/55/43/369765543.db2.gz	YLPNVUVBLHCWMG-CQSZACIVSA-N	0	3	284.338	2.420	10	30		CEEEHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1sccc1C#N	ZINC000246996389	371043614	/nfs/dbraw/zinc/04/36/14/371043614.db2.gz	PRZHQEWWFNCXBF-STQMWFEESA-N	0	3	289.404	2.319	10	30		CEEEHN
C=CC1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC1	ZINC000247444150	371108826	/nfs/dbraw/zinc/10/88/26/371108826.db2.gz	SFIHESHFRUGQFF-DZGCQCFKSA-N	0	3	279.428	2.323	10	30		CEEEHN
C=C(Br)CN1C[C@@H]2CCCCN2C[C@H]1C	ZINC000252892888	371488972	/nfs/dbraw/zinc/48/89/72/371488972.db2.gz	PAFJBGQREHYWIO-NEPJUHHUSA-N	0	3	273.218	2.454	10	30		CEEEHN
Cc1nc(N2C[C@H](C)NC[C@@H]2C)c(Cl)cc1C#N	ZINC000261566562	371652521	/nfs/dbraw/zinc/65/25/21/371652521.db2.gz	IHQJBVTVJSLTOG-IUCAKERBSA-N	0	3	264.760	2.102	10	30		CEEEHN
O[C@@H]1CC[C@H]2CN(CC#Cc3ccccc3)C[C@@H]2C1	ZINC000398746583	375352968	/nfs/dbraw/zinc/35/29/68/375352968.db2.gz	SMSCRGMXZMXYHX-YESZJQIVSA-N	0	3	255.361	2.131	10	30		CEEEHN
CC(C)C1(NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000293039051	377402667	/nfs/dbraw/zinc/40/26/67/377402667.db2.gz	QNTYSTIQUJMUGI-UHFFFAOYSA-N	0	3	292.404	2.110	10	30		CEEEHN
COC[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccc(C#N)c2)O1	ZINC000247844019	256696533	/nfs/dbraw/zinc/69/65/33/256696533.db2.gz	LYZFZVHZDKLENZ-GVDBMIGSSA-N	0	3	286.375	2.327	10	30		CEEEHN
CC[C@@H](CC1CC1)NC(=O)c1csc(C#CCN)c1	ZINC000093976532	184747202	/nfs/dbraw/zinc/74/72/02/184747202.db2.gz	COZPLFAZEHFERH-ZDUSSCGKSA-N	0	3	276.405	2.367	10	30		CEEEHN
Cc1cc(NC(=O)C[C@@H]2CCCCO2)ccc1C#CCN	ZINC000095032766	184919342	/nfs/dbraw/zinc/91/93/42/184919342.db2.gz	RLVNISMKPVATGS-INIZCTEOSA-N	0	3	286.375	2.203	10	30		CEEEHN
Cc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)o1	ZINC000182582384	395245478	/nfs/dbraw/zinc/24/54/78/395245478.db2.gz	BGLHAONKGTTWME-GFCCVEGCSA-N	0	3	263.341	2.001	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)C(=O)c1ccsc1	ZINC000042400489	174710100	/nfs/dbraw/zinc/71/01/00/174710100.db2.gz	VJXSTKFWXRXTFP-UHFFFAOYSA-N	0	3	290.413	2.392	10	30		CEEEHN
N#CCc1ccc(O[C@@H](CN)c2ccccn2)cc1	ZINC000043341885	175015445	/nfs/dbraw/zinc/01/54/45/175015445.db2.gz	BNZFIPVODPQBJB-HNNXBMFYSA-N	0	3	253.305	2.226	10	30		CEEEHN
Cn1cc(SCc2sccc2C#CCN)cn1	ZINC000043685931	175093495	/nfs/dbraw/zinc/09/34/95/175093495.db2.gz	JPEPTJAQKKDKAA-UHFFFAOYSA-N	0	3	263.391	2.084	10	30		CEEEHN
NCC#Cc1ccsc1CSc1nncs1	ZINC000043685680	175093633	/nfs/dbraw/zinc/09/36/33/175093633.db2.gz	KZTJTQLNWKAECC-UHFFFAOYSA-N	0	3	267.404	2.202	10	30		CEEEHN
CC[C@H]1CO[C@@H](C)CN1Cc1cc(C#CCN)cs1	ZINC000043689016	175095486	/nfs/dbraw/zinc/09/54/86/175095486.db2.gz	OUECPBZJTHMKIS-JSGCOSHPSA-N	0	3	278.421	2.058	10	30		CEEEHN
CCC[C@@H](C#N)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000044825884	175259256	/nfs/dbraw/zinc/25/92/56/175259256.db2.gz	VUPUXEZIGFCQSA-QWHCGFSZSA-N	0	3	253.390	2.019	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)NCc1nccs1	ZINC000044825795	175259465	/nfs/dbraw/zinc/25/94/65/175259465.db2.gz	ZNISILMTWJPSRR-GFCCVEGCSA-N	0	3	271.345	2.142	10	30		CEEEHN
CCN(CC[C@](C)(C#N)NC(C)C)[C@@H](C)COC	ZINC000045181862	175324556	/nfs/dbraw/zinc/32/45/56/175324556.db2.gz	SRDSHSISPSMSRS-UONOGXRCSA-N	0	3	255.406	2.014	10	30		CEEEHN
CCOC1CCN(CC[C@@](C)(C#N)NC(C)C)CC1	ZINC000045181560	175324771	/nfs/dbraw/zinc/32/47/71/175324771.db2.gz	SEQWWMXODFAJIW-HNNXBMFYSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCN(CCOC)[C@@H](C)CC	ZINC000045182720	175325374	/nfs/dbraw/zinc/32/53/74/175325374.db2.gz	PNZJPMTXGNOSDK-LSDHHAIUSA-N	0	3	269.433	2.405	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCCN1CCN(C(C)(C)C)CC1	ZINC000045318487	175359083	/nfs/dbraw/zinc/35/90/83/175359083.db2.gz	VAIJTKUAOVQTIQ-QGZVFWFLSA-N	0	3	294.487	2.465	10	30		CEEEHN
Cc1ccc(C#N)cc1N1CCC[C@H](NC2CC2)C1=O	ZINC000071042253	176028555	/nfs/dbraw/zinc/02/85/55/176028555.db2.gz	KIMBJEDWLYURAB-AWEZNQCLSA-N	0	3	269.348	2.114	10	30		CEEEHN
CN[C@@H](C)c1cc(F)ccc1N(CCC#N)CCOC	ZINC000071226008	176089824	/nfs/dbraw/zinc/08/98/24/176089824.db2.gz	FZYNZDZFKUWMMV-LBPRGKRZSA-N	0	3	279.359	2.473	10	30		CEEEHN
Cc1ccncc1NC(=O)c1ccc(F)cc1C#CCN	ZINC000071414777	176159981	/nfs/dbraw/zinc/15/99/81/176159981.db2.gz	ZJIDRYQMPRAOPT-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)NC1CCCCCCC1	ZINC000071541913	176195921	/nfs/dbraw/zinc/19/59/21/176195921.db2.gz	ABIDKFJUUZPZEA-LBPRGKRZSA-N	0	3	287.425	2.205	10	30		CEEEHN
CC(C)CN1C(=O)c2c(cccc2N(C)C)C1C#N	ZINC000071679253	176244027	/nfs/dbraw/zinc/24/40/27/176244027.db2.gz	MQGYBSUQVJZGHT-ZDUSSCGKSA-N	0	3	257.337	2.429	10	30		CEEEHN
CC(C)CN1C(=O)c2c(cccc2N(C)C)C1C#N	ZINC000071679252	176244100	/nfs/dbraw/zinc/24/41/00/176244100.db2.gz	MQGYBSUQVJZGHT-CYBMUJFWSA-N	0	3	257.337	2.429	10	30		CEEEHN
C=CC[C@@H]1CCCN(C(=O)[C@]2(C)CCCCN2)C1	ZINC000662630984	415913692	/nfs/dbraw/zinc/91/36/92/415913692.db2.gz	OJWXEYGLVFGILC-HIFRSBDPSA-N	0	3	250.386	2.333	10	30		CEEEHN
N#Cc1ccc(F)c(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1	ZINC000398987064	270365222	/nfs/dbraw/zinc/36/52/22/270365222.db2.gz	FXIKAAMJKXRTBQ-YDHLFZDLSA-N	0	3	274.339	2.290	10	30		CEEEHN
C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCCO1	ZINC000183087333	278362135	/nfs/dbraw/zinc/36/21/35/278362135.db2.gz	HEUBZYGQGDSFQL-TYNCELHUSA-N	0	3	287.363	2.042	10	30		CEEEHN
CCN1CCC[C@@H]1CN(C)C(=O)C1(C#N)CCCCC1	ZINC000092630750	279296682	/nfs/dbraw/zinc/29/66/82/279296682.db2.gz	LKTBRWRQPIEDGU-CQSZACIVSA-N	0	3	277.412	2.403	10	30		CEEEHN
CCn1cnnc1C1CCN(CCCSCC#N)CC1	ZINC000173888975	329153241	/nfs/dbraw/zinc/15/32/41/329153241.db2.gz	FCJRNPKRXFHYCQ-UHFFFAOYSA-N	0	3	293.440	2.124	10	30		CEEEHN
CN(CCN[C@H]1CCC[C@H]1C#N)Cc1ccccc1	ZINC000386745944	336177912	/nfs/dbraw/zinc/17/79/12/336177912.db2.gz	ZPOYZFIWYNEOJP-HOTGVXAUSA-N	0	3	257.381	2.400	10	30		CEEEHN
C#CCN1CCC(Nc2ccccc2[C@@H](C)O)CC1	ZINC000049543032	518271151	/nfs/dbraw/zinc/27/11/51/518271151.db2.gz	NQYJJWOLPATJAG-CYBMUJFWSA-N	0	3	258.365	2.249	10	30		CEEEHN
C=C(C)COc1ccc(CNCCOC)cc1[N+](=O)[O-]	ZINC000062730734	518613928	/nfs/dbraw/zinc/61/39/28/518613928.db2.gz	FVTRQSDBEGYWKW-UHFFFAOYSA-N	0	3	280.324	2.286	10	30		CEEEHN
C=C(C)COc1ccc(OC)cc1CNCCOC	ZINC000062727726	518614541	/nfs/dbraw/zinc/61/45/41/518614541.db2.gz	YMPFMSLBVAEZED-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
CC(C)CCC[C@@H](C)NC(=O)c1cncc(C#CCN)c1	ZINC000049629652	519645182	/nfs/dbraw/zinc/64/51/82/519645182.db2.gz	DYJLUUFPMVGXTC-CQSZACIVSA-N	0	3	287.407	2.336	10	30		CEEEHN
CC(C)CN1CCN([C@H](C)C[C@](C)(C#N)NC(C)C)CC1	ZINC000068615145	519727972	/nfs/dbraw/zinc/72/79/72/519727972.db2.gz	ATQFAWFTAOSBEJ-IAGOWNOFSA-N	0	3	294.487	2.319	10	30		CEEEHN
CCCN[C@](C#N)(CN1CCN(C(C)(C)C)CC1)C1CC1	ZINC000069080493	520100323	/nfs/dbraw/zinc/10/03/23/520100323.db2.gz	WAYIIEPJPUFQNR-QGZVFWFLSA-N	0	3	292.471	2.074	10	30		CEEEHN
CCC[C@H](NCC(=O)NCCC#N)c1cccs1	ZINC000049544892	521154768	/nfs/dbraw/zinc/15/47/68/521154768.db2.gz	RVBAPHMYNMBXMJ-NSHDSACASA-N	0	3	265.382	2.209	10	30		CEEEHN
COC[C@@H](C)N(C)Cc1ccc(F)c(C#CCCO)c1	ZINC000049613859	522220493	/nfs/dbraw/zinc/22/04/93/522220493.db2.gz	DRRAIJSOMBVYOB-CYBMUJFWSA-N	0	3	279.355	2.026	10	30		CEEEHN
CC[C@H](C)N1CCN(Cc2ccc(C#CCO)s2)CC1	ZINC000055069338	523956848	/nfs/dbraw/zinc/95/68/48/523956848.db2.gz	ZWEKAMBLYVDXDH-AWEZNQCLSA-N	0	3	292.448	2.008	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)cc2)[C@@H]1C	ZINC000050568504	524208891	/nfs/dbraw/zinc/20/88/91/524208891.db2.gz	IESRZRZBRVTRRB-ZIAGYGMSSA-N	0	3	270.376	2.257	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2cccc(C#CCN)c2)[C@H]1C	ZINC000050568521	524210306	/nfs/dbraw/zinc/21/03/06/524210306.db2.gz	DCILYFILJAMUOC-KGLIPLIRSA-N	0	3	270.376	2.257	10	30		CEEEHN
C[C@@H](C1CC1)N(C)Cc1ccc(C#CCO)cc1F	ZINC000049618511	524321013	/nfs/dbraw/zinc/32/10/13/524321013.db2.gz	STWIPYQQCPOOEI-LBPRGKRZSA-N	0	3	261.340	2.400	10	30		CEEEHN
C[C@@H](C[C@@](C)(C#N)NC1CC1)N1CCN(C(C)(C)C)CC1	ZINC000068613161	524848808	/nfs/dbraw/zinc/84/88/08/524848808.db2.gz	KTJFLADIONBBCX-YOEHRIQHSA-N	0	3	292.471	2.215	10	30		CEEEHN
C[C@@H](Cc1ccsc1)NC(=O)c1ccccc1C#CCN	ZINC000049189263	524938798	/nfs/dbraw/zinc/93/87/98/524938798.db2.gz	HKDUMHKTIMNJSN-ZDUSSCGKSA-N	0	3	298.411	2.419	10	30		CEEEHN
C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C#CCN)ccc1F	ZINC000050568533	525636261	/nfs/dbraw/zinc/63/62/61/525636261.db2.gz	VTDTZJSAMOCWFV-QWHCGFSZSA-N	0	3	288.366	2.397	10	30		CEEEHN
Cc1ccc(C(=O)NCc2ccc(C#CCN)cc2)s1	ZINC000049586314	526184480	/nfs/dbraw/zinc/18/44/80/526184480.db2.gz	MXABUVRINVVXQP-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
Cc1nn(Cc2ccc(C#CCN)cc2F)c(C)c1C	ZINC000049610245	526288243	/nfs/dbraw/zinc/28/82/43/526288243.db2.gz	SZRWOHWBIJOPPM-UHFFFAOYSA-N	0	3	271.339	2.306	10	30		CEEEHN
N#C[C@@H]1CCCCC[C@H]1NC1CCC(C(N)=O)CC1	ZINC000054825990	526499370	/nfs/dbraw/zinc/49/93/70/526499370.db2.gz	MTSQVFBSLWKMKY-GNRIBBGQSA-N	0	3	263.385	2.093	10	30		CEEEHN
N#C[C@H]1CCCCC[C@@H]1NC1CCC(C(N)=O)CC1	ZINC000054825991	526512061	/nfs/dbraw/zinc/51/20/61/526512061.db2.gz	MTSQVFBSLWKMKY-HHTDUIENSA-N	0	3	263.385	2.093	10	30		CEEEHN
N#Cc1ccc(OCc2ccccc2C#CCN)cc1	ZINC000049610531	526677453	/nfs/dbraw/zinc/67/74/53/526677453.db2.gz	PBQOHEVAYBRKLY-UHFFFAOYSA-N	0	3	262.312	2.447	10	30		CEEEHN
NCC#Cc1ccc(COCC(F)(F)F)c(F)c1	ZINC000049610355	527150323	/nfs/dbraw/zinc/15/03/23/527150323.db2.gz	LFSVUANKQBVDKM-UHFFFAOYSA-N	0	3	261.218	2.215	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)c2cccc(F)c2)c1	ZINC000049586520	527151394	/nfs/dbraw/zinc/15/13/94/527151394.db2.gz	ZDCHTGGRJXNYSK-UHFFFAOYSA-N	0	3	282.318	2.066	10	30		CEEEHN
NCC#Cc1cccc(OCCOC2CCCC2)c1	ZINC000049610336	527153085	/nfs/dbraw/zinc/15/30/85/527153085.db2.gz	ZZGPGLLOZMPBJM-UHFFFAOYSA-N	0	3	259.349	2.335	10	30		CEEEHN
NCC#Cc1ccccc1COc1ccccc1[N+](=O)[O-]	ZINC000049611126	527155463	/nfs/dbraw/zinc/15/54/63/527155463.db2.gz	SPFKVQHWLBOLJX-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
Cn1ccnc1SCc1ccc(C#CCN)cc1	ZINC000049611269	527448901	/nfs/dbraw/zinc/44/89/01/527448901.db2.gz	SFONFEPSJJKCGX-UHFFFAOYSA-N	0	3	257.362	2.023	10	30		CEEEHN
C#C[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1	ZINC000757133097	574826602	/nfs/dbraw/zinc/82/66/02/574826602.db2.gz	GWBFQKVQHMSCBK-NSHDSACASA-N	0	3	275.352	2.304	10	30		CEEEHN
C=CCN(C)C[C@H](O)COCc1ccc(Cl)cc1	ZINC000121358346	365557703	/nfs/dbraw/zinc/55/77/03/365557703.db2.gz	QYWUOZSAHZGQHO-AWEZNQCLSA-N	0	3	269.772	2.335	10	30		CEEEHN
CC(=O)O[C@@]1(C#Cc2ccccc2)CCN(C)C[C@@H]1C	ZINC000584636803	344971411	/nfs/dbraw/zinc/97/14/11/344971411.db2.gz	DYGLEMPSQGOBFF-YOEHRIQHSA-N	0	3	271.360	2.312	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CCN)c(F)c2)[C@@H]1C	ZINC000086081130	179227418	/nfs/dbraw/zinc/22/74/18/179227418.db2.gz	CZMXGLUSRUEFRX-HSMVNMDESA-N	0	3	288.366	2.300	10	30		CEEEHN
C=CC(C)(C)CCNCc1c(C)nn(C)c1OC	ZINC000623592577	350059952	/nfs/dbraw/zinc/05/99/52/350059952.db2.gz	SQGRFABHGCJLIV-UHFFFAOYSA-N	0	3	251.374	2.429	10	30		CEEEHN
Cc1sc(NC(=O)C[C@H]2CSCCN2)c(C#N)c1C	ZINC000091138403	180105804	/nfs/dbraw/zinc/10/58/04/180105804.db2.gz	XGJGZUXEMQAXEA-JTQLQIEISA-N	0	3	295.433	2.270	10	30		CEEEHN
CC1(C)C(C(=O)Nc2cccc(C#CCN)n2)C1(C)C	ZINC000091492999	180170447	/nfs/dbraw/zinc/17/04/47/180170447.db2.gz	MCKCNRLKOQZHII-UHFFFAOYSA-N	0	3	271.364	2.013	10	30		CEEEHN
CCc1ccc(C(=O)Nc2cccc(C#CCN)c2)o1	ZINC000091775622	180251536	/nfs/dbraw/zinc/25/15/36/180251536.db2.gz	BZRAMMZLUCEABV-UHFFFAOYSA-N	0	3	268.316	2.405	10	30		CEEEHN
CCN1CCC(O)(C2(C#N)Cc3ccccc3C2)CC1	ZINC000091878288	180278660	/nfs/dbraw/zinc/27/86/60/180278660.db2.gz	BCYXOZMWVLNYJJ-UHFFFAOYSA-N	0	3	270.376	2.142	10	30		CEEEHN
NCC#Cc1cccc(NC(=O)N2CCCCC2)c1	ZINC000091969673	180295167	/nfs/dbraw/zinc/29/51/67/180295167.db2.gz	MQFBXRFVMAMXRR-UHFFFAOYSA-N	0	3	257.337	2.015	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1CCSc2ccccc21	ZINC000092473696	180392768	/nfs/dbraw/zinc/39/27/68/180392768.db2.gz	MVCABGAEOQXJLX-GFCCVEGCSA-N	0	3	262.378	2.115	10	30		CEEEHN
C=CCNCC(=O)N(Cc1cccs1)C(C)C	ZINC000092475564	180393763	/nfs/dbraw/zinc/39/37/63/180393763.db2.gz	CRNHOIURDKIANX-UHFFFAOYSA-N	0	3	252.383	2.261	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2cc(C#CCN)ccc2F)CC1	ZINC000110817773	186327803	/nfs/dbraw/zinc/32/78/03/186327803.db2.gz	VHTXXIDFICBONZ-ZDUSSCGKSA-N	0	3	288.366	2.398	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCCN1CCN(C)C(C)(C)C1	ZINC000110737493	186319341	/nfs/dbraw/zinc/31/93/41/186319341.db2.gz	HENNLPIZCYJLMQ-INIZCTEOSA-N	0	3	280.460	2.073	10	30		CEEEHN
CCCOCCOCc1ccc(F)cc1C#CCN	ZINC000111109697	186354054	/nfs/dbraw/zinc/35/40/54/186354054.db2.gz	SAEFXXOEVFVJPB-UHFFFAOYSA-N	0	3	265.328	2.079	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccc(Br)cc1	ZINC000095081770	364334930	/nfs/dbraw/zinc/33/49/30/364334930.db2.gz	XXEHYTNLSRCDPV-SNVBAGLBSA-N	0	3	297.196	2.402	10	30		CEEEHN
CCCCCCCC(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000116787875	365068001	/nfs/dbraw/zinc/06/80/01/365068001.db2.gz	OPEOSHSEUIIHNS-AWEZNQCLSA-N	0	3	270.417	2.136	10	30		CEEEHN
CCC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N(C)C	ZINC000161481911	367091144	/nfs/dbraw/zinc/09/11/44/367091144.db2.gz	CSKMEXQRXDSPPZ-HNNXBMFYSA-N	0	3	273.380	2.247	10	30		CEEEHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)C(C)C	ZINC000246151228	370917353	/nfs/dbraw/zinc/91/73/53/370917353.db2.gz	SYPHLZYVAJQXRV-RRFJBIMHSA-N	0	3	279.428	2.393	10	30		CEEEHN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCC#N	ZINC000195234438	370117000	/nfs/dbraw/zinc/11/70/00/370117000.db2.gz	YUVAEGVFWHEQHF-IHRRRGAJSA-N	0	3	264.369	2.486	10	30		CEEEHN
C[C@@H]1CCCCCN1C(=O)c1csc(C#CCN)c1	ZINC000093976548	184747530	/nfs/dbraw/zinc/74/75/30/184747530.db2.gz	BNOSQCXCJJWDHC-GFCCVEGCSA-N	0	3	276.405	2.463	10	30		CEEEHN
NCC#Cc1cc(F)cc(COC[C@@H]2CCCCO2)c1	ZINC000093993998	184749305	/nfs/dbraw/zinc/74/93/05/184749305.db2.gz	YRWZGPYAXCMGGU-INIZCTEOSA-N	0	3	277.339	2.222	10	30		CEEEHN
C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)N1[C@H](C)CC[C@@H]1C	ZINC000359672043	394770774	/nfs/dbraw/zinc/77/07/74/394770774.db2.gz	JBETWZJMIISCRB-BJJPWKGXSA-N	0	3	263.385	2.056	10	30		CEEEHN
Cn1cc([C@H]2CCCN2CCCSCC#N)cn1	ZINC000173882195	395117140	/nfs/dbraw/zinc/11/71/40/395117140.db2.gz	JXSSXLDAKWZDNX-CYBMUJFWSA-N	0	3	264.398	2.204	10	30		CEEEHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1sccc1C#N	ZINC000174990330	165121868	/nfs/dbraw/zinc/12/18/68/165121868.db2.gz	PRZHQEWWFNCXBF-CHWSQXEVSA-N	0	3	289.404	2.319	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@H](C)COc1ccc(C)cc1	ZINC000040499952	174296703	/nfs/dbraw/zinc/29/67/03/174296703.db2.gz	VSXRZLYITQARHV-ZIAGYGMSSA-N	0	3	276.380	2.043	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@@H]1C[C@@H](OC)CN1	ZINC000040634087	174359883	/nfs/dbraw/zinc/35/98/83/174359883.db2.gz	UOELZBQJPDHMAX-YPMHNXCESA-N	0	3	292.404	2.280	10	30		CEEEHN
CC(C)[C@@H](CN(C)C)NC(=O)[C@H](C#N)Cc1ccccc1	ZINC000044825395	175259398	/nfs/dbraw/zinc/25/93/98/175259398.db2.gz	KHOFDEDDUSOLFA-JKSUJKDBSA-N	0	3	287.407	2.071	10	30		CEEEHN
CC(C)[C@H](CN(C)C)NC(=O)[C@H](C#N)Cc1ccccc1	ZINC000044825396	175259497	/nfs/dbraw/zinc/25/94/97/175259497.db2.gz	KHOFDEDDUSOLFA-HOTGVXAUSA-N	0	3	287.407	2.071	10	30		CEEEHN
CC(C)[C@H]1CCCN(CC(=O)N(C)CCC#N)CC1	ZINC000071029254	176022139	/nfs/dbraw/zinc/02/21/39/176022139.db2.gz	KOCYDERHEIVINJ-AWEZNQCLSA-N	0	3	265.401	2.117	10	30		CEEEHN
CCCN[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O	ZINC000071039556	176027047	/nfs/dbraw/zinc/02/70/47/176027047.db2.gz	JWXHYFKESGVSHZ-CYBMUJFWSA-N	0	3	277.755	2.317	10	30		CEEEHN
CC(C)N[C@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O	ZINC000071041650	176027954	/nfs/dbraw/zinc/02/79/54/176027954.db2.gz	XLXUFAVPFDUFJD-AWEZNQCLSA-N	0	3	275.327	2.191	10	30		CEEEHN
C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1C#CCN	ZINC000071210974	176083445	/nfs/dbraw/zinc/08/34/45/176083445.db2.gz	ZTAZOYZCXFGUEP-NHYWBVRUSA-N	0	3	274.339	2.054	10	30		CEEEHN
C[C@@H](Cc1cccs1)NC(=O)c1ccc(C#CCN)cc1	ZINC000071273673	176105715	/nfs/dbraw/zinc/10/57/15/176105715.db2.gz	LMXFRARNTWYPPM-ZDUSSCGKSA-N	0	3	298.411	2.419	10	30		CEEEHN
C[C@@H](Cc1cccs1)NC(=O)c1cccc(C#CCN)c1	ZINC000071273680	176105758	/nfs/dbraw/zinc/10/57/58/176105758.db2.gz	DCXYYXKSTXXKRK-ZDUSSCGKSA-N	0	3	298.411	2.419	10	30		CEEEHN
Cc1ccc(OCc2cccnc2C#N)c(CN)c1	ZINC000071403292	176155010	/nfs/dbraw/zinc/15/50/10/176155010.db2.gz	XLYPHMZWMSAAIX-UHFFFAOYSA-N	0	3	253.305	2.299	10	30		CEEEHN
C=CC[C@H]1CCCN(C(=O)[C@@]2(C)CCCCN2)C1	ZINC000662630979	415913469	/nfs/dbraw/zinc/91/34/69/415913469.db2.gz	OJWXEYGLVFGILC-DZGCQCFKSA-N	0	3	250.386	2.333	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000424066114	330219333	/nfs/dbraw/zinc/21/93/33/330219333.db2.gz	NAFJCXVCEBKTOM-VWYCJHECSA-N	0	3	291.317	2.245	10	30		CEEEHN
C[C@@H](CN(C)Cc1ccccc1)Nc1cncc(C#N)n1	ZINC000401398354	533747206	/nfs/dbraw/zinc/74/72/06/533747206.db2.gz	QRHRBMASJCMVHH-ZDUSSCGKSA-N	0	3	281.363	2.281	10	30		CEEEHN
C#CCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C	ZINC000062732020	518331213	/nfs/dbraw/zinc/33/12/13/518331213.db2.gz	KGTNRFBAQHNSCA-UHFFFAOYSA-N	0	3	262.309	2.495	10	30		CEEEHN
C=C(C)COc1c(CNCCOC)cccc1OC	ZINC000062732387	518609161	/nfs/dbraw/zinc/60/91/61/518609161.db2.gz	JBRMJFSRPTWYDI-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
CC(C)n1cc(NC(=O)c2ccc(C#CCN)cc2)cn1	ZINC000061684438	519965430	/nfs/dbraw/zinc/96/54/30/519965430.db2.gz	LHHJBMBZXNXZTI-UHFFFAOYSA-N	0	3	282.347	2.027	10	30		CEEEHN
CCN[C@@H](C#N)CCN1CC[C@H](c2ccccc2)C1	ZINC000062438714	520057670	/nfs/dbraw/zinc/05/76/70/520057670.db2.gz	WCFXLJGRYTVMCG-JKSUJKDBSA-N	0	3	257.381	2.368	10	30		CEEEHN
CCN(CC(=O)Nc1ccccc1C#N)CC1CC1	ZINC000069238176	520365223	/nfs/dbraw/zinc/36/52/23/520365223.db2.gz	TWSOSRCKWPMSOR-UHFFFAOYSA-N	0	3	257.337	2.229	10	30		CEEEHN
CCCC[C@H](C)NC(=O)c1ccc(C#CCN)cc1	ZINC000050890991	521147405	/nfs/dbraw/zinc/14/74/05/521147405.db2.gz	QHWCXUFYCZHKOH-ZDUSSCGKSA-N	0	3	258.365	2.305	10	30		CEEEHN
CCN(Cc1ccncc1)Cc1ccccc1C#CCN	ZINC000049609652	521422672	/nfs/dbraw/zinc/42/26/72/521422672.db2.gz	SYSZVAUZLSZOCF-UHFFFAOYSA-N	0	3	279.387	2.414	10	30		CEEEHN
CC[C@H](NC(=O)c1ccc(OC)c(C#CCN)c1)C(C)C	ZINC000049148559	522537488	/nfs/dbraw/zinc/53/74/88/522537488.db2.gz	CSWCWKUJDWRROU-HNNXBMFYSA-N	0	3	288.391	2.170	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCO)c1)C[C@H]1CCCCO1	ZINC000049613712	523239661	/nfs/dbraw/zinc/23/96/61/523239661.db2.gz	DCVRDSUFDNGAIN-MRXNPFEDSA-N	0	3	291.366	2.170	10	30		CEEEHN
CN(Cc1ccco1)Cc1ccc(F)c(C#CCN)c1	ZINC000049609124	523434073	/nfs/dbraw/zinc/43/40/73/523434073.db2.gz	SSHZUGQERGQZIK-UHFFFAOYSA-N	0	3	272.323	2.361	10	30		CEEEHN
CC[C@H](C)N(C)Cc1cc(C#CCO)ccc1OC	ZINC000049617206	523923085	/nfs/dbraw/zinc/92/30/85/523923085.db2.gz	OINCHLIHSIJHSS-ZDUSSCGKSA-N	0	3	261.365	2.269	10	30		CEEEHN
COc1ccc(COCC(F)(F)F)cc1C#CCN	ZINC000049610354	524112811	/nfs/dbraw/zinc/11/28/11/524112811.db2.gz	HJPGRAJSHYJFBA-UHFFFAOYSA-N	0	3	273.254	2.084	10	30		CEEEHN
Cc1ccc(C(=O)NCc2ccccc2C#CCN)cc1	ZINC000049586401	526187346	/nfs/dbraw/zinc/18/73/46/526187346.db2.gz	CAPITNBUXDQEKY-UHFFFAOYSA-N	0	3	278.355	2.235	10	30		CEEEHN
Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#CCN)cc2)o1	ZINC000049586691	526194637	/nfs/dbraw/zinc/19/46/37/526194637.db2.gz	GLHLWWCQLCAAAY-ZDUSSCGKSA-N	0	3	282.343	2.389	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2ccc(C#CCN)s2)[C@H]1C	ZINC000050568543	526266692	/nfs/dbraw/zinc/26/66/92/526266692.db2.gz	LLLUGCBHFRYQJR-RYUDHWBXSA-N	0	3	276.405	2.319	10	30		CEEEHN
N#C[C@@H]1CCCCC[C@@H]1NC1CCC(C(N)=O)CC1	ZINC000054825992	526498924	/nfs/dbraw/zinc/49/89/24/526498924.db2.gz	MTSQVFBSLWKMKY-YIOUJQMASA-N	0	3	263.385	2.093	10	30		CEEEHN
N#Cc1ccccc1OCc1ccccc1C#CCN	ZINC000049610823	526746808	/nfs/dbraw/zinc/74/68/08/526746808.db2.gz	GRZRRKYAYZVVNF-UHFFFAOYSA-N	0	3	262.312	2.447	10	30		CEEEHN
NCC#Cc1cc(CN2CCCCCCC2=O)ccc1F	ZINC000049610005	527146769	/nfs/dbraw/zinc/14/67/69/527146769.db2.gz	FMYYEBNJZURCNI-UHFFFAOYSA-N	0	3	288.366	2.429	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)c2ccco2)c1	ZINC000061691984	527150191	/nfs/dbraw/zinc/15/01/91/527150191.db2.gz	YZGRNBNLZCLAFX-UHFFFAOYSA-N	0	3	274.707	2.496	10	30		CEEEHN
NCC#Cc1ccc(F)c(CNC(=O)c2ccccc2)c1	ZINC000049587003	527152514	/nfs/dbraw/zinc/15/25/14/527152514.db2.gz	BBGZCZWBODISMO-UHFFFAOYSA-N	0	3	282.318	2.066	10	30		CEEEHN
Cn1cc(SCc2ccc(F)c(C#CCN)c2)cn1	ZINC000049612947	527292033	/nfs/dbraw/zinc/29/20/33/527292033.db2.gz	SILUFIBLWQYUBE-UHFFFAOYSA-N	0	3	275.352	2.162	10	30		CEEEHN
Cn1cccc1C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691949	527390529	/nfs/dbraw/zinc/39/05/29/527390529.db2.gz	DGFWVTMWOCAJAC-UHFFFAOYSA-N	0	3	287.750	2.241	10	30		CEEEHN
C[C@@H]1CNCCN1c1ccc(C(F)(F)F)cc1C#N	ZINC000054374960	343589598	/nfs/dbraw/zinc/58/95/98/343589598.db2.gz	DUGIUOCISVTRKG-SECBINFHSA-N	0	3	269.270	2.375	10	30		CEEEHN
C#C[C@@H](N)c1cccc(C)c1I	ZINC000235809238	344593024	/nfs/dbraw/zinc/59/30/24/344593024.db2.gz	GMDJZEPCILHQCT-SECBINFHSA-N	0	3	271.101	2.233	10	30		CEEEHN
CC(C)(C#N)CCCN1CCN(c2ncccc2N)CC1	ZINC000087599511	534982295	/nfs/dbraw/zinc/98/22/95/534982295.db2.gz	MXSAOERUOZHKNC-UHFFFAOYSA-N	0	3	287.411	2.116	10	30		CEEEHN
Cn1cc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)cn1	ZINC000127417151	187305223	/nfs/dbraw/zinc/30/52/23/187305223.db2.gz	BHQOCBNQENRZNB-IRXDYDNUSA-N	0	3	296.374	2.162	10	30		CEEEHN
C[C@H]1[C@H](NC(=O)c2cc(F)ccc2C#CCN)CC[C@@H]1C	ZINC000086081149	179227399	/nfs/dbraw/zinc/22/73/99/179227399.db2.gz	CVAKZXXMOYJEQX-HWWQOWPSSA-N	0	3	288.366	2.300	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)CCC(F)(F)F)c(F)c1	ZINC000088834253	179680182	/nfs/dbraw/zinc/68/01/82/179680182.db2.gz	DTTMPSLIDUQJRJ-UHFFFAOYSA-N	0	3	288.244	2.417	10	30		CEEEHN
Cc1ncsc1CN(C)Cc1sccc1C#CCN	ZINC000104433294	186000694	/nfs/dbraw/zinc/00/06/94/186000694.db2.gz	CWRIUABFDZIDNI-UHFFFAOYSA-N	0	3	291.445	2.455	10	30		CEEEHN
COCCNCc1c(C)nn(CCC(C)(C)C#N)c1C	ZINC000091002389	180083882	/nfs/dbraw/zinc/08/38/82/180083882.db2.gz	BWBIRGIZXOLCOI-UHFFFAOYSA-N	0	3	278.400	2.176	10	30		CEEEHN
N#CCCN(C(=O)C[C@@H]1CSCCN1)c1ccccc1	ZINC000091134219	180103117	/nfs/dbraw/zinc/10/31/17/180103117.db2.gz	MARXAFIFTGOBEU-CYBMUJFWSA-N	0	3	289.404	2.028	10	30		CEEEHN
NCC#Cc1cnccc1C(=O)Nc1ccccc1Cl	ZINC000091460983	180161581	/nfs/dbraw/zinc/16/15/81/180161581.db2.gz	FQPCKCIGSCTDGF-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
CC[C@@H]1CCC[C@H](NC(=O)c2ccncc2C#CCN)C1	ZINC000091463579	180162582	/nfs/dbraw/zinc/16/25/82/180162582.db2.gz	BIVHYDUCTSYBRB-HIFRSBDPSA-N	0	3	285.391	2.090	10	30		CEEEHN
C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1C#CCN	ZINC000091462530	180162606	/nfs/dbraw/zinc/16/26/06/180162606.db2.gz	ISVLTRJOMFUMSP-CJNGLKHVSA-N	0	3	285.391	2.043	10	30		CEEEHN
C=CCNCC(=O)N[C@H](c1cccs1)C(C)C	ZINC000105996644	186096353	/nfs/dbraw/zinc/09/63/53/186096353.db2.gz	MRQGBZUDCDAXKL-ZDUSSCGKSA-N	0	3	252.383	2.337	10	30		CEEEHN
COc1ccc([C@H](C#N)NCCN(C)C)c(Cl)c1OC	ZINC000110830024	186327857	/nfs/dbraw/zinc/32/78/57/186327857.db2.gz	SGCBFGNCXNZWEJ-NSHDSACASA-N	0	3	297.786	2.073	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)NC	ZINC000110959863	186336970	/nfs/dbraw/zinc/33/69/70/186336970.db2.gz	JJHGZRGHDPPXOX-QWHCGFSZSA-N	0	3	276.380	2.345	10	30		CEEEHN
NCC#Cc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000111102483	186352946	/nfs/dbraw/zinc/35/29/46/186352946.db2.gz	WPJRQLNGZGLLBF-XQQFMLRXSA-N	0	3	288.416	2.224	10	30		CEEEHN
N#CCSCCCN1CCO[C@H]2CCCC[C@@H]21	ZINC000074981859	363429530	/nfs/dbraw/zinc/42/95/30/363429530.db2.gz	GJNHDIZXIZTNOE-STQMWFEESA-N	0	3	254.399	2.277	10	30		CEEEHN
N#Cc1ccc(F)cc1CN1CCN2CCCC[C@H]2C1	ZINC000247694303	283151976	/nfs/dbraw/zinc/15/19/76/283151976.db2.gz	SZAQVPGWAPHESN-INIZCTEOSA-N	0	3	273.355	2.367	10	30		CEEEHN
C=CCN1C[C@H](N)c2cc(Br)ccc21	ZINC000019795865	361555506	/nfs/dbraw/zinc/55/55/06/361555506.db2.gz	UYIMTZSEPHRKSG-JTQLQIEISA-N	0	3	253.143	2.455	10	30		CEEEHN
Cn1cc([C@@H]2CCN(CCOc3ccc(C#N)cc3)C2)cn1	ZINC000116318737	365051932	/nfs/dbraw/zinc/05/19/32/365051932.db2.gz	WTVWLDRMYQXYRS-OAHLLOKOSA-N	0	3	296.374	2.160	10	30		CEEEHN
C#CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1	ZINC000120735118	365467318	/nfs/dbraw/zinc/46/73/18/365467318.db2.gz	BYSBUPOTPIMJSY-GOEBONIOSA-N	0	3	298.386	2.007	10	30		CEEEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1	ZINC000172054913	367665362	/nfs/dbraw/zinc/66/53/62/367665362.db2.gz	OUCAICZZANWXFI-CZUORRHYSA-N	0	3	283.375	2.061	10	30		CEEEHN
CCOCCN1CCN(CCCSCC#N)C[C@H]1CC	ZINC000173885462	367954774	/nfs/dbraw/zinc/95/47/74/367954774.db2.gz	RZNFVUYYQLSXOH-OAHLLOKOSA-N	0	3	299.484	2.066	10	30		CEEEHN
CCN1CCC[C@H]1CN(C)C(=O)c1cccc(CC#N)c1	ZINC000177012910	368257694	/nfs/dbraw/zinc/25/76/94/368257694.db2.gz	CQQZKOORLWXVDW-INIZCTEOSA-N	0	3	285.391	2.309	10	30		CEEEHN
CC1CCN(CCNc2ccc([N+](=O)[O-])c(C#N)n2)CC1	ZINC000232832702	370513369	/nfs/dbraw/zinc/51/33/69/370513369.db2.gz	DRUQXBJEQJBQAQ-UHFFFAOYSA-N	0	3	289.339	2.005	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)cc2)C1	ZINC000246836280	371018881	/nfs/dbraw/zinc/01/88/81/371018881.db2.gz	DYJRVOUFOWYELT-IUODEOHRSA-N	0	3	271.364	2.017	10	30		CEEEHN
C[C@@H]1CCCCN1C(=O)c1csc(C#CCN)c1	ZINC000093975576	184747355	/nfs/dbraw/zinc/74/73/55/184747355.db2.gz	JICYAXCOPLYONI-LLVKDONJSA-N	0	3	262.378	2.073	10	30		CEEEHN
Cc1cc(C(=O)NCc2ccccc2)sc1C#CCN	ZINC000094536047	184814770	/nfs/dbraw/zinc/81/47/70/184814770.db2.gz	PYKATGVQNIMBGK-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
C=CCN1CCC(Nc2ccc(SC)nn2)CC1	ZINC000301392867	394460251	/nfs/dbraw/zinc/46/02/51/394460251.db2.gz	IPIHTKAIBVWGNG-UHFFFAOYSA-N	0	3	264.398	2.261	10	30		CEEEHN
C[C@H]1CN2CCCC[C@H]2CN1c1cccc(C#N)n1	ZINC000251919432	394569819	/nfs/dbraw/zinc/56/98/19/394569819.db2.gz	XVRMQJTYZNZOPW-JSGCOSHPSA-N	0	3	256.353	2.016	10	30		CEEEHN
C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N1[C@H](C)CC[C@@H]1C	ZINC000359672048	394770821	/nfs/dbraw/zinc/77/08/21/394770821.db2.gz	JBETWZJMIISCRB-XVIXHAIJSA-N	0	3	263.385	2.056	10	30		CEEEHN
C=CCCCCCN1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000193336104	395406941	/nfs/dbraw/zinc/40/69/41/395406941.db2.gz	YTLOMTLZOSAOMW-HUUCEWRRSA-N	0	3	254.418	2.120	10	30		CEEEHN
CCN1CCC[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1	ZINC000094591705	400245640	/nfs/dbraw/zinc/24/56/40/400245640.db2.gz	SIHNUYXRQJVANE-ZDUSSCGKSA-N	0	3	274.324	2.363	10	30		CEEEHN
CCN1CCC[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1	ZINC000094591706	400245785	/nfs/dbraw/zinc/24/57/85/400245785.db2.gz	SIHNUYXRQJVANE-CYBMUJFWSA-N	0	3	274.324	2.363	10	30		CEEEHN
N#Cc1cccc(CN2CCC[C@H]2CCCO)c1F	ZINC000223529321	153317237	/nfs/dbraw/zinc/31/72/37/153317237.db2.gz	KZQKZMIMIPJWFS-AWEZNQCLSA-N	0	3	262.328	2.434	10	30		CEEEHN
CC(C)[C@H](C)N(C)C(=O)c1ccccc1C#CCN	ZINC000037571449	173522256	/nfs/dbraw/zinc/52/22/56/173522256.db2.gz	YRTMYGMTGDBQMP-ZDUSSCGKSA-N	0	3	258.365	2.113	10	30		CEEEHN
CCC[C@@](C)(N)C(=O)N(CC#N)Cc1ccccc1	ZINC000038101700	174117986	/nfs/dbraw/zinc/11/79/86/174117986.db2.gz	NDQDZSHFFQPQPP-OAHLLOKOSA-N	0	3	259.353	2.056	10	30		CEEEHN
CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000040462985	174272121	/nfs/dbraw/zinc/27/21/21/174272121.db2.gz	IKGIUBGQIDHEDE-WDMOLILDSA-N	0	3	259.353	2.109	10	30		CEEEHN
CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#CCN)s1	ZINC000043683974	175092174	/nfs/dbraw/zinc/09/21/74/175092174.db2.gz	IEEANJQYYGGUBS-CHWSQXEVSA-N	0	3	278.421	2.058	10	30		CEEEHN
N#CC(Cc1ccccc1)C(=O)N1CCO[C@@H]2CCC[C@@H]21	ZINC000044827822	175259968	/nfs/dbraw/zinc/25/99/68/175259968.db2.gz	YQFQIQAGHURYEG-HRCADAONSA-N	0	3	284.359	2.149	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCN(C)CCc1ccncc1	ZINC000045181464	175324785	/nfs/dbraw/zinc/32/47/85/175324785.db2.gz	XNVSJYORORIQLZ-INIZCTEOSA-N	0	3	274.412	2.226	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCN1CCN(C(C)(C)C)CC1	ZINC000045182853	175325410	/nfs/dbraw/zinc/32/54/10/175325410.db2.gz	GZPNHBBUBCCOJF-MRXNPFEDSA-N	0	3	280.460	2.073	10	30		CEEEHN
CC(C)N[C@@H]1CCCN(c2ccc(CC#N)cc2)C1=O	ZINC000071041483	176027873	/nfs/dbraw/zinc/02/78/73/176027873.db2.gz	QOKYSHIKKNMUJR-OAHLLOKOSA-N	0	3	271.364	2.246	10	30		CEEEHN
C[C@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1C#CCN	ZINC000071210976	176083238	/nfs/dbraw/zinc/08/32/38/176083238.db2.gz	ZTAZOYZCXFGUEP-XHDPSFHLSA-N	0	3	274.339	2.054	10	30		CEEEHN
C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#CCN)ccc1F	ZINC000071210981	176083294	/nfs/dbraw/zinc/08/32/94/176083294.db2.gz	HHJLDNBINKPUMF-ABAIWWIYSA-N	0	3	274.339	2.054	10	30		CEEEHN
NCC#Cc1csc(CNC(=O)c2ccsc2)c1	ZINC000071322561	176122796	/nfs/dbraw/zinc/12/27/96/176122796.db2.gz	DCZMHUXOGHKEGF-UHFFFAOYSA-N	0	3	276.386	2.050	10	30		CEEEHN
Cc1cccc(C(=O)NCc2ccc(C#CCN)s2)c1	ZINC000071322673	176123090	/nfs/dbraw/zinc/12/30/90/176123090.db2.gz	AKHNCSJCNQELMF-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
CN(C)c1cccc2c1C(=O)N(C1CCC(O)CC1)C2C#N	ZINC000071679319	176244083	/nfs/dbraw/zinc/24/40/83/176244083.db2.gz	PNFYCQRCKLDQET-QOZQQMKHSA-N	0	3	299.374	2.077	10	30		CEEEHN
C=C(Br)CN1C[C@@H]2CCCN2C[C@H]1CC	ZINC000246258927	334247281	/nfs/dbraw/zinc/24/72/81/334247281.db2.gz	KSPHWPZHJHIPGN-NEPJUHHUSA-N	0	3	273.218	2.454	10	30		CEEEHN
CCCN[C@](C)(C#N)C[C@H](C)N1CCN(CC(C)C)CC1	ZINC000068615083	520102499	/nfs/dbraw/zinc/10/24/99/520102499.db2.gz	BJQKNWQXKGKTLR-IRXDYDNUSA-N	0	3	294.487	2.320	10	30		CEEEHN
C#CC(C)(C)NC[C@@H](O)CO[C@H](C)c1ccccc1	ZINC000070119313	518238407	/nfs/dbraw/zinc/23/84/07/518238407.db2.gz	NLCHEVWBBBUIRM-UKRRQHHQSA-N	0	3	261.365	2.127	10	30		CEEEHN
CC(C)c1nccn1Cc1cccc(C#CCN)c1	ZINC000049610136	519880172	/nfs/dbraw/zinc/88/01/72/519880172.db2.gz	RGBGCEDNXDBTJF-UHFFFAOYSA-N	0	3	253.349	2.365	10	30		CEEEHN
CC(C)n1cc(NC(=O)c2ccccc2C#CCN)cn1	ZINC000061684439	519966221	/nfs/dbraw/zinc/96/62/21/519966221.db2.gz	YKGVPNIYIMZWLZ-UHFFFAOYSA-N	0	3	282.347	2.027	10	30		CEEEHN
CCCN[C@@](C#N)(CN1CCN(C(C)(C)C)CC1)C1CC1	ZINC000069080496	520029760	/nfs/dbraw/zinc/02/97/60/520029760.db2.gz	WAYIIEPJPUFQNR-KRWDZBQOSA-N	0	3	292.471	2.074	10	30		CEEEHN
CCCCNC(=O)N[C@@H](C)c1cccc(C#CCN)c1	ZINC000049587463	520640994	/nfs/dbraw/zinc/64/09/94/520640994.db2.gz	CUURZEYLWBOFNG-ZDUSSCGKSA-N	0	3	273.380	2.157	10	30		CEEEHN
CC[C@H](C)[C@H](C)NC(=O)c1ccc(C#CCN)cc1F	ZINC000049105847	521934050	/nfs/dbraw/zinc/93/40/50/521934050.db2.gz	RIKVLAQMRXQGFH-RYUDHWBXSA-N	0	3	276.355	2.300	10	30		CEEEHN
COCCN(C)CCNc1cccc(Cl)c1C#N	ZINC000061379462	523615914	/nfs/dbraw/zinc/61/59/14/523615914.db2.gz	ZLNFXJXAIVCBAB-UHFFFAOYSA-N	0	3	267.760	2.202	10	30		CEEEHN
Cc1ccc(C(=O)N[C@H](C)c2ccc(C#CCN)cc2)o1	ZINC000049586692	526210427	/nfs/dbraw/zinc/21/04/27/526210427.db2.gz	GLHLWWCQLCAAAY-CYBMUJFWSA-N	0	3	282.343	2.389	10	30		CEEEHN
COc1cccc(C(C#N)C(=O)[C@H]2CCCCO2)c1	ZINC000050963981	526246204	/nfs/dbraw/zinc/24/62/04/526246204.db2.gz	UZYYRPVHMOSHMY-ZIAGYGMSSA-N	0	3	259.305	2.441	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@H]2CCCO)c(F)c1	ZINC000052759562	526613885	/nfs/dbraw/zinc/61/38/85/526613885.db2.gz	WNSANQANSFWLFL-AWEZNQCLSA-N	0	3	262.328	2.434	10	30		CEEEHN
N#Cc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1	ZINC000061610870	526656620	/nfs/dbraw/zinc/65/66/20/526656620.db2.gz	RZAJSTPLGSJNQU-HNNXBMFYSA-N	0	3	265.316	2.239	10	30		CEEEHN
NCC#Cc1cc(F)ccc1CN1CCCSCC1	ZINC000049609944	527146536	/nfs/dbraw/zinc/14/65/36/527146536.db2.gz	MDUOZDBKTOWBBF-UHFFFAOYSA-N	0	3	278.396	2.075	10	30		CEEEHN
NCC#Cc1cc(CSc2nncs2)ccc1F	ZINC000049611427	527146982	/nfs/dbraw/zinc/14/69/82/527146982.db2.gz	KBQMHKYNUHAZDV-UHFFFAOYSA-N	0	3	279.365	2.280	10	30		CEEEHN
NCC#Cc1cc(F)ccc1CSc1ncccn1	ZINC000049611452	527148628	/nfs/dbraw/zinc/14/86/28/527148628.db2.gz	HSISCRNYCFWCJW-UHFFFAOYSA-N	0	3	273.336	2.218	10	30		CEEEHN
NCC#Cc1ccccc1CNC(=O)CC1CCCC1	ZINC000049586405	527154853	/nfs/dbraw/zinc/15/48/53/527154853.db2.gz	BDWJALLFDNKKHA-UHFFFAOYSA-N	0	3	270.376	2.193	10	30		CEEEHN
C[C@@H]1CC[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C1	ZINC000329894626	628376227	/nfs/dbraw/zinc/37/62/27/628376227.db2.gz	KBMSPARJGQZKNJ-UPJWGTAASA-N	0	3	276.384	2.138	10	30		CEEEHN
C#CCNCc1ccc(OC)c(Br)c1	ZINC000034992256	361803080	/nfs/dbraw/zinc/80/30/80/361803080.db2.gz	FBCGLOJTHQYRJT-UHFFFAOYSA-N	0	3	254.127	2.181	10	30		CEEEHN
C[C@@H](NC[C@H](O)COC(C)(C)C)c1ccc(C#N)cc1	ZINC000037749536	361928672	/nfs/dbraw/zinc/92/86/72/361928672.db2.gz	VYQFRGVGQFCSTJ-DOMZBBRYSA-N	0	3	276.380	2.385	10	30		CEEEHN
C=C(Cl)CNC[C@H](C)CNC(=O)OC(C)(C)C	ZINC000307249481	344721417	/nfs/dbraw/zinc/72/14/17/344721417.db2.gz	JRFYFSRUJLMMQX-VIFPVBQESA-N	0	3	262.781	2.489	10	30		CEEEHN
CN(C[C@H]1CCc2nccn2C1)C(=O)Nc1ccccn1	ZINC000328633661	344757579	/nfs/dbraw/zinc/75/75/79/344757579.db2.gz	SSOAFBVMEUZIRY-GFCCVEGCSA-N	0	3	285.351	2.018	10	30		CEEEHN
C#CCOc1ccccc1CN1CC[C@@H](c2cnn(C)c2)C1	ZINC000128488268	187373615	/nfs/dbraw/zinc/37/36/15/187373615.db2.gz	BFILZZBRHVNZDA-OAHLLOKOSA-N	0	3	295.386	2.422	10	30		CEEEHN
N#Cc1ccc(F)c(CNC[C@H]2CCCC[C@@H]2O)c1	ZINC000085984779	179211290	/nfs/dbraw/zinc/21/12/90/179211290.db2.gz	NAKLPZZGEVMZCQ-DOMZBBRYSA-N	0	3	262.328	2.338	10	30		CEEEHN
C#CCN1C[C@@](C)(c2ccccc2)NC[C@@H]1C(C)C	ZINC000086222883	179250615	/nfs/dbraw/zinc/25/06/15/179250615.db2.gz	WQKLJSDOSNPORT-SJORKVTESA-N	0	3	256.393	2.465	10	30		CEEEHN
CC[C@H]1CN(C(=O)c2cccc(C#N)c2)[C@@H](CC)CN1	ZINC000086446698	179295492	/nfs/dbraw/zinc/29/54/92/179295492.db2.gz	UKAIUXQPWIMYTO-GJZGRUSLSA-N	0	3	271.364	2.161	10	30		CEEEHN
N#Cc1cccc(C(=O)N2CCNCC23CCCCC3)c1	ZINC000088396103	179591267	/nfs/dbraw/zinc/59/12/67/179591267.db2.gz	TZBJOSDVAXLKKJ-UHFFFAOYSA-N	0	3	283.375	2.307	10	30		CEEEHN
CC[C@@H]([NH3+])[C@@]([O-])(c1cc(F)cc(C#N)c1)C(F)(F)F	ZINC000091332088	180135919	/nfs/dbraw/zinc/13/59/19/180135919.db2.gz	FPOGQEZJUCATSL-MNOVXSKESA-N	0	3	276.233	2.185	10	30		CEEEHN
CSc1ccc(NC(=O)c2ccncc2C#CCN)cc1	ZINC000091460861	180161888	/nfs/dbraw/zinc/16/18/88/180161888.db2.gz	KLSFSLWMJMDXQL-UHFFFAOYSA-N	0	3	297.383	2.366	10	30		CEEEHN
CSC1(C#N)CCN(C[C@@H]2CCCCO2)CC1	ZINC000091473640	180165570	/nfs/dbraw/zinc/16/55/70/180165570.db2.gz	VXMQWUFWTLXNBA-LBPRGKRZSA-N	0	3	254.399	2.277	10	30		CEEEHN
CCN(CC)C(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000091962389	180293356	/nfs/dbraw/zinc/29/33/56/180293356.db2.gz	HCZIKNMCICGXAZ-CYBMUJFWSA-N	0	3	273.380	2.109	10	30		CEEEHN
CN1CCC[C@@](O)(C2(C#N)Cc3ccccc3C2)CC1	ZINC000091888256	180280494	/nfs/dbraw/zinc/28/04/94/180280494.db2.gz	APTXCDMVTYSYCW-KRWDZBQOSA-N	0	3	270.376	2.142	10	30		CEEEHN
C=CCNCC(=O)N[C@H](C)c1ccccc1OC(C)C	ZINC000092474306	180393682	/nfs/dbraw/zinc/39/36/82/180393682.db2.gz	QNXHXKLKLRADEF-CYBMUJFWSA-N	0	3	276.380	2.427	10	30		CEEEHN
C=CCNCC(=O)N(Cc1ccsc1)C1CC1	ZINC000092475349	180393971	/nfs/dbraw/zinc/39/39/71/180393971.db2.gz	PVUPMZJEWHCHQU-UHFFFAOYSA-N	0	3	250.367	2.015	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC000092474028	180394098	/nfs/dbraw/zinc/39/40/98/180394098.db2.gz	LHKAMADTXOEECZ-BFHYXJOUSA-N	0	3	252.402	2.339	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)cc2F)CC1	ZINC000110817776	186327832	/nfs/dbraw/zinc/32/78/32/186327832.db2.gz	ZQBQVNIBOGKOFD-CYBMUJFWSA-N	0	3	288.366	2.398	10	30		CEEEHN
CCN[C@](C)(C#N)CCCCN1CCN(C)[C@@H](CC)C1	ZINC000110737327	186318490	/nfs/dbraw/zinc/31/84/90/186318490.db2.gz	OAQIPONLFQIXQZ-HOTGVXAUSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCN1CCN(CCCC[C@@](C)(C#N)NC(C)C)C[C@@H]1C	ZINC000110737100	186318575	/nfs/dbraw/zinc/31/85/75/186318575.db2.gz	JSBOUCOACOWUQK-IRXDYDNUSA-N	0	3	294.487	2.463	10	30		CEEEHN
NCC#Cc1ccc(CSc2ccncn2)s1	ZINC000111114964	186353844	/nfs/dbraw/zinc/35/38/44/186353844.db2.gz	DGMFRUVYKFCJGK-UHFFFAOYSA-N	0	3	261.375	2.141	10	30		CEEEHN
C=CCCCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000132394912	366139943	/nfs/dbraw/zinc/13/99/43/366139943.db2.gz	JVHYEUDTBUAPAY-KBPBESRZSA-N	0	3	267.417	2.323	10	30		CEEEHN
C=CCOc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1	ZINC000171081501	367473757	/nfs/dbraw/zinc/47/37/57/367473757.db2.gz	JKDLMHCYPDEWHW-CQSZACIVSA-N	0	3	289.379	2.419	10	30		CEEEHN
CN(C)C[C@@H](NC(=O)NCCCCC#N)c1ccccc1	ZINC000171416946	367538020	/nfs/dbraw/zinc/53/80/20/367538020.db2.gz	UMCCXVZJZMOEPH-OAHLLOKOSA-N	0	3	288.395	2.282	10	30		CEEEHN
N#CC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCCCC1	ZINC000094460752	184805305	/nfs/dbraw/zinc/80/53/05/184805305.db2.gz	YLDNXNVSLHRVTR-CQSZACIVSA-N	0	3	275.396	2.157	10	30		CEEEHN
N#Cc1ccc(N2CCC[C@@H](N)C2=O)cc1C(F)(F)F	ZINC000088191975	135053072	/nfs/dbraw/zinc/05/30/72/135053072.db2.gz	BDBOEODALKLZQS-LLVKDONJSA-N	0	3	283.253	2.031	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](Cn2cncn2)C1	ZINC000186231858	395287339	/nfs/dbraw/zinc/28/73/39/395287339.db2.gz	SAGRFEYRJFSJHD-MRXNPFEDSA-N	0	3	295.390	2.370	10	30		CEEEHN
OC[C@@H](C#CCN1CCCCCC1)NCc1ccccc1	ZINC000005518236	170106957	/nfs/dbraw/zinc/10/69/57/170106957.db2.gz	YEQHWIRELCFWLP-GOSISDBHSA-N	0	3	286.419	2.017	10	30		CEEEHN
N#CCOc1ccc(N[C@H]2CN3CCC2CC3)cc1	ZINC000020441399	171204872	/nfs/dbraw/zinc/20/48/72/171204872.db2.gz	UYBIIXAHIKUCJO-HNNXBMFYSA-N	0	3	257.337	2.095	10	30		CEEEHN
CCCCC(=O)Nc1sc2c(c1C#N)CCNC2	ZINC000035248232	172078496	/nfs/dbraw/zinc/07/84/96/172078496.db2.gz	SQYIHOCNCUEIIR-UHFFFAOYSA-N	0	3	263.366	2.394	10	30		CEEEHN
Cc1c(CNC2CC2)cnn1-c1cccc(C#N)c1	ZINC000042355890	174694397	/nfs/dbraw/zinc/69/43/97/174694397.db2.gz	GXNPGKNEKONNIY-UHFFFAOYSA-N	0	3	252.321	2.304	10	30		CEEEHN
COc1cc(C#N)ccc1O[C@@H](CN)c1ccccn1	ZINC000043341832	175014989	/nfs/dbraw/zinc/01/49/89/175014989.db2.gz	LENPGYZIVRSCOT-HNNXBMFYSA-N	0	3	269.304	2.041	10	30		CEEEHN
CCO[C@H]1CCCN(Cc2cc(C#CCO)cs2)C1	ZINC000043698667	175096663	/nfs/dbraw/zinc/09/66/63/175096663.db2.gz	DYTBUOCLYPVJTD-AWEZNQCLSA-N	0	3	279.405	2.093	10	30		CEEEHN
CCCO[C@H]1CCCN(Cc2cc(C#CCO)cs2)C1	ZINC000043698663	175096910	/nfs/dbraw/zinc/09/69/10/175096910.db2.gz	RHZBOIWEKKQEAB-HNNXBMFYSA-N	0	3	293.432	2.483	10	30		CEEEHN
CCN(Cc1cc(C#CCCO)cs1)[C@@H](C)COC	ZINC000043698776	175096934	/nfs/dbraw/zinc/09/69/34/175096934.db2.gz	GYSBXITVLSTYQI-ZDUSSCGKSA-N	0	3	281.421	2.339	10	30		CEEEHN
CCN(C[C@@H]1CCCO1)C(=O)C(C#N)Cc1ccccc1	ZINC000044824555	175259359	/nfs/dbraw/zinc/25/93/59/175259359.db2.gz	XZQUYRMQZGUSLF-HOTGVXAUSA-N	0	3	286.375	2.396	10	30		CEEEHN
CN(Cc1cscn1)C(=O)C(C#N)Cc1ccccc1	ZINC000044827698	175259833	/nfs/dbraw/zinc/25/98/33/175259833.db2.gz	JBNPVNJKYQAHEC-ZDUSSCGKSA-N	0	3	285.372	2.484	10	30		CEEEHN
CCCN[C@](C)(C#N)CCN(CCOC)[C@@H](C)C1CC1	ZINC000045182597	175325779	/nfs/dbraw/zinc/32/57/79/175325779.db2.gz	SQEHZJLEDJXYGC-HOCLYGCPSA-N	0	3	281.444	2.405	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCN1CCN(C(C)(C)C)CC1	ZINC000045318450	175359038	/nfs/dbraw/zinc/35/90/38/175359038.db2.gz	NVHKTEGYTVXCCK-QGZVFWFLSA-N	0	3	294.487	2.465	10	30		CEEEHN
C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1C#CCN	ZINC000071210973	176083145	/nfs/dbraw/zinc/08/31/45/176083145.db2.gz	ZTAZOYZCXFGUEP-ABAIWWIYSA-N	0	3	274.339	2.054	10	30		CEEEHN
C=CCCOc1cc([N+](=O)[O-])c(CN)cc1OC	ZINC000071274327	176106420	/nfs/dbraw/zinc/10/64/20/176106420.db2.gz	VROKJLYWQFGTDM-UHFFFAOYSA-N	0	3	252.270	2.017	10	30		CEEEHN
Cc1ccc(N2CCCCCC2=O)cc1C#CCN	ZINC000071278332	176107793	/nfs/dbraw/zinc/10/77/93/176107793.db2.gz	CKDVOQWSPVCSDJ-UHFFFAOYSA-N	0	3	256.349	2.212	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)Oc1ccc(C)cc1CNCC	ZINC000071403861	176155160	/nfs/dbraw/zinc/15/51/60/176155160.db2.gz	ZFHQZEUNQXLVKH-CYBMUJFWSA-N	0	3	276.380	2.174	10	30		CEEEHN
C=CCS(=O)(=O)C(C)C(=O)N(CC(C)C)CC(C)C	ZINC000071552830	176196465	/nfs/dbraw/zinc/19/64/65/176196465.db2.gz	NNQMZUVHNPHYAG-ZDUSSCGKSA-N	0	3	289.441	2.116	10	30		CEEEHN
C#CCOc1ccccc1CNC[C@H]1CCCC[C@H]1O	ZINC000077205603	177233625	/nfs/dbraw/zinc/23/36/25/177233625.db2.gz	LQYMENZGOLGWKC-GDBMZVCRSA-N	0	3	273.376	2.339	10	30		CEEEHN
C[C@@H]1CCC(=O)N(Cc2sccc2C#CCN)CC1	ZINC000079247528	177456381	/nfs/dbraw/zinc/45/63/81/177456381.db2.gz	NLUILKKKFDBTSY-GFCCVEGCSA-N	0	3	276.405	2.207	10	30		CEEEHN
COC(=O)C1CCC(N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000305821361	268006255	/nfs/dbraw/zinc/00/62/55/268006255.db2.gz	HCXLDKSXGZBWTJ-PYNQCMFNSA-N	0	3	250.342	2.000	10	30		CEEEHN
C=CCCC[C@@H](C)NC(=O)N1CCN2CCC[C@@H]2C1	ZINC000181119202	329226663	/nfs/dbraw/zinc/22/66/63/329226663.db2.gz	UOHKPAFKTXWBFI-ZIAGYGMSSA-N	0	3	265.401	2.221	10	30		CEEEHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424065414	330219343	/nfs/dbraw/zinc/21/93/43/330219343.db2.gz	LIGUWDHLMQJOKZ-TVQRCGJNSA-N	0	3	281.306	2.163	10	30		CEEEHN
C=C(Br)CN1C[C@H]2CCCN2C[C@@H]1CC	ZINC000136076934	334145905	/nfs/dbraw/zinc/14/59/05/334145905.db2.gz	KSPHWPZHJHIPGN-NWDGAFQWSA-N	0	3	273.218	2.454	10	30		CEEEHN
CCCN[C@@](C)(C#N)CCCN1CCN([C@@H](C)CC)CC1	ZINC000055070139	520032204	/nfs/dbraw/zinc/03/22/04/520032204.db2.gz	YRQNMVZQJXXIQV-DLBZAZTESA-N	0	3	294.487	2.465	10	30		CEEEHN
C#CCCOc1c(C)cc(CNCCOC)cc1C	ZINC000062728666	518251809	/nfs/dbraw/zinc/25/18/09/518251809.db2.gz	DHITXOAKCUCBBD-UHFFFAOYSA-N	0	3	261.365	2.442	10	30		CEEEHN
C=C(C)COc1cc(OC)ccc1CNCCOC	ZINC000062733305	518610851	/nfs/dbraw/zinc/61/08/51/518610851.db2.gz	KGAQJJWVHIWRDB-UHFFFAOYSA-N	0	3	265.353	2.386	10	30		CEEEHN
CC(C)COC(=O)N[C@H](C)c1cccc(C#CCN)c1	ZINC000049587454	519750674	/nfs/dbraw/zinc/75/06/74/519750674.db2.gz	HJQOVQIFRVXIBF-CYBMUJFWSA-N	0	3	274.364	2.440	10	30		CEEEHN
CCC(C)(C)N(C)C(=O)c1cc(F)ccc1C#CCN	ZINC000069461732	521294748	/nfs/dbraw/zinc/29/47/48/521294748.db2.gz	QQRPSNUXIMOPCQ-UHFFFAOYSA-N	0	3	276.355	2.397	10	30		CEEEHN
CCN(Cc1ccc(F)c(C#CCO)c1)C[C@@H]1CCCO1	ZINC000049613786	521314801	/nfs/dbraw/zinc/31/48/01/521314801.db2.gz	KRISDTRVXSLHPD-INIZCTEOSA-N	0	3	291.366	2.170	10	30		CEEEHN
CCN(Cc1ccc(F)cc1C#CCO)C[C@H]1CCCO1	ZINC000049613784	521315828	/nfs/dbraw/zinc/31/58/28/521315828.db2.gz	CGQBJNLFVLNVBI-QGZVFWFLSA-N	0	3	291.366	2.170	10	30		CEEEHN
CCN(Cc1ccc(F)cc1C#CCO)C[C@@H]1CCCO1	ZINC000049613783	521316029	/nfs/dbraw/zinc/31/60/29/521316029.db2.gz	CGQBJNLFVLNVBI-KRWDZBQOSA-N	0	3	291.366	2.170	10	30		CEEEHN
CCCN1C(=O)CCC[C@@H](N)[C@@H]1c1cccc(C#N)c1	ZINC000070295298	521699186	/nfs/dbraw/zinc/69/91/86/521699186.db2.gz	JNZDMUQBONCMDM-ZBFHGGJFSA-N	0	3	271.364	2.349	10	30		CEEEHN
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(OC)c(C#CCN)c1	ZINC000049105853	521817702	/nfs/dbraw/zinc/81/77/02/521817702.db2.gz	ZKCVSHSRDGJKBJ-QWHCGFSZSA-N	0	3	288.391	2.170	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000061300799	521941265	/nfs/dbraw/zinc/94/12/65/521941265.db2.gz	JHVYNZSUNQOTIW-UHFFFAOYSA-N	0	3	251.717	2.148	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000061300681	521941638	/nfs/dbraw/zinc/94/16/38/521941638.db2.gz	OQVZUJPULPRUDO-UHFFFAOYSA-N	0	3	259.353	2.424	10	30		CEEEHN
COc1ccc(C#CCCO)cc1CN1CC[C@@H](C)C1	ZINC000049613590	523510646	/nfs/dbraw/zinc/51/06/46/523510646.db2.gz	WCDZKRUNIDBIFP-CQSZACIVSA-N	0	3	273.376	2.271	10	30		CEEEHN
CO[C@@H]1CCC[C@@H](Oc2ccc(F)cc2C#CCN)C1	ZINC000070338272	523619986	/nfs/dbraw/zinc/61/99/86/523619986.db2.gz	KPFXTMGTLLMLGL-HUUCEWRRSA-N	0	3	277.339	2.472	10	30		CEEEHN
C[C@@H](NC(=O)Cc1ccsc1)c1ccc(C#CCN)cc1	ZINC000049586687	525140695	/nfs/dbraw/zinc/14/06/95/525140695.db2.gz	NNFBHTFIGRJSJQ-CYBMUJFWSA-N	0	3	298.411	2.478	10	30		CEEEHN
N#Cc1cc(NC(=O)[C@@H](CN)c2ccccc2)ccc1F	ZINC000061613344	526568963	/nfs/dbraw/zinc/56/89/63/526568963.db2.gz	CDQYYTNYPRRFJR-AWEZNQCLSA-N	0	3	283.306	2.378	10	30		CEEEHN
CC(C)(CNC(=O)Cc1cncnc1)N1CCCCC1	ZINC000330308444	526947205	/nfs/dbraw/zinc/94/72/05/526947205.db2.gz	STVHXWGPMPMKOB-UHFFFAOYSA-N	0	3	276.384	2.240	10	30		CEEEHN
NCC#Cc1ccc(CN2CCCSCC2)c(F)c1	ZINC000049609942	527148956	/nfs/dbraw/zinc/14/89/56/527148956.db2.gz	OWMNGTIUQGKZOZ-UHFFFAOYSA-N	0	3	278.396	2.075	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(N2C(=O)CCCCC2=O)c1	ZINC000061692171	527149868	/nfs/dbraw/zinc/14/98/68/527149868.db2.gz	SBAIKZDJMIYLIC-UHFFFAOYSA-N	0	3	290.750	2.084	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(N2CCCCC2=O)c1	ZINC000061692176	527150033	/nfs/dbraw/zinc/15/00/33/527150033.db2.gz	YVWYJVASQVJHJO-UHFFFAOYSA-N	0	3	262.740	2.167	10	30		CEEEHN
NCC#Cc1ccc(Cn2ncc3ccccc32)cc1	ZINC000050527407	527150243	/nfs/dbraw/zinc/15/02/43/527150243.db2.gz	ZUYRWYFTAKERQW-UHFFFAOYSA-N	0	3	261.328	2.395	10	30		CEEEHN
NCC#Cc1ccccc1C(=O)N1Cc2ccccc2C1	ZINC000050913631	527153465	/nfs/dbraw/zinc/15/34/65/527153465.db2.gz	NLHVOYMFSQWGMU-UHFFFAOYSA-N	0	3	276.339	2.153	10	30		CEEEHN
NCC#Cc1ccccc1Cn1ncc2ccccc21	ZINC000050527404	527154460	/nfs/dbraw/zinc/15/44/60/527154460.db2.gz	FQPLTMBPQCISGH-UHFFFAOYSA-N	0	3	261.328	2.395	10	30		CEEEHN
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCCC#N	ZINC000089147987	640090496	/nfs/dbraw/zinc/09/04/96/640090496.db2.gz	QCRQHVYBQYANRS-VXGBXAGGSA-N	0	3	267.373	2.183	10	30		CEEEHN
C#C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000185987797	642054875	/nfs/dbraw/zinc/05/48/75/642054875.db2.gz	BGGVQTDJWDJCLX-WBVHZDCISA-N	0	3	299.418	2.362	10	30		CEEEHN
C=C[C@H](N)c1cccc(I)c1	ZINC000095766838	185027468	/nfs/dbraw/zinc/02/74/68/185027468.db2.gz	QJDONQJSMNYLMF-VIFPVBQESA-N	0	3	259.090	2.477	10	30		CEEEHN
CN1CC=C(CNC(=O)c2ncoc2[C@@H]2CCCO2)CC1	ZINC000329216486	530047136	/nfs/dbraw/zinc/04/71/36/530047136.db2.gz	ONSCFJYSQLSGAP-LBPRGKRZSA-N	0	3	291.351	2.093	10	30		CEEEHN
C[C@H](c1ccccc1)[C@H](N)CC(=O)N1CCC[C@H]1C#N	ZINC000584629483	344969307	/nfs/dbraw/zinc/96/93/07/344969307.db2.gz	TXWNWQCDGRBOSR-VHDGCEQUSA-N	0	3	271.364	2.022	10	30		CEEEHN
Cc1ccnc(NCc2ccc3c(c2)CNC3)c1C#N	ZINC000097829989	232186219	/nfs/dbraw/zinc/18/62/19/232186219.db2.gz	ZZTOLHTUBJXWHK-UHFFFAOYSA-N	0	3	264.332	2.477	10	30		CEEEHN
CC(C)N1CCC[C@@](C#N)(NCC(F)(F)F)CC1	ZINC000086849662	179357914	/nfs/dbraw/zinc/35/79/14/179357914.db2.gz	NUHNFXMXWNKRFT-LLVKDONJSA-N	0	3	263.307	2.295	10	30		CEEEHN
CC(C)c1ccc([C@@H](C)NCC(=O)NCC#N)cc1	ZINC000066472873	362867789	/nfs/dbraw/zinc/86/77/89/362867789.db2.gz	ODWGZPZPFQUUAB-GFCCVEGCSA-N	0	3	259.353	2.100	10	30		CEEEHN
NCC#Cc1cnccc1C(=O)NCCC1CCCCC1	ZINC000091461806	180161520	/nfs/dbraw/zinc/16/15/20/180161520.db2.gz	SFGFRTHFTGSJBT-UHFFFAOYSA-N	0	3	285.391	2.092	10	30		CEEEHN
Cc1ccc(NC(=O)c2ccncc2C#CCN)cc1C	ZINC000091460946	180161667	/nfs/dbraw/zinc/16/16/67/180161667.db2.gz	FWQDVWVEXFPBAY-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
CCc1ccc(C(=O)NCc2ccc(C#CCN)s2)o1	ZINC000091775647	180251482	/nfs/dbraw/zinc/25/14/82/180251482.db2.gz	INRUBTAVSVCQLR-UHFFFAOYSA-N	0	3	288.372	2.144	10	30		CEEEHN
CCc1ccc(C(=O)NCc2ccc(C#CCN)cc2)o1	ZINC000091775635	180252064	/nfs/dbraw/zinc/25/20/64/180252064.db2.gz	VOBSQACIFYAKQK-UHFFFAOYSA-N	0	3	282.343	2.082	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)Nc2ccc(C#CCN)cc2F)C1	ZINC000091992426	180300326	/nfs/dbraw/zinc/30/03/26/180300326.db2.gz	ODBINCWNEKGEQV-GFCCVEGCSA-N	0	3	289.354	2.400	10	30		CEEEHN
C[C@H]1CN(Cc2ccc(F)cc2C#CCO)C[C@H]1C	ZINC000092087034	180321835	/nfs/dbraw/zinc/32/18/35/180321835.db2.gz	CRZWUMMVOFYYHD-BETUJISGSA-N	0	3	261.340	2.257	10	30		CEEEHN
C[C@H]1CN(C(=O)C(C#N)Cc2ccccc2)C[C@H]1C	ZINC000092090675	180322108	/nfs/dbraw/zinc/32/21/08/180322108.db2.gz	CEQXDKLMHDGCBV-GUTXKFCHSA-N	0	3	256.349	2.483	10	30		CEEEHN
C=CCNCC(=O)N[C@H]1CCSc2ccc(F)cc21	ZINC000092473876	180393927	/nfs/dbraw/zinc/39/39/27/180393927.db2.gz	YWERZNZBFWMPLY-LBPRGKRZSA-N	0	3	280.368	2.254	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1ccccc1C#CCN	ZINC000110847569	186329082	/nfs/dbraw/zinc/32/90/82/186329082.db2.gz	YGPKRKHXOATJDT-UHFFFAOYSA-N	0	3	270.376	2.259	10	30		CEEEHN
CC[C@H]1CN(Cc2cc(C#CCCO)cs2)CCN1C	ZINC000110734563	186318069	/nfs/dbraw/zinc/31/80/69/186318069.db2.gz	LDLDGTMLQDWUJR-HNNXBMFYSA-N	0	3	292.448	2.008	10	30		CEEEHN
NCC#Cc1ccccc1C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000111102456	186352554	/nfs/dbraw/zinc/35/25/54/186352554.db2.gz	DHFGHWXWOJSLOY-NUEKZKHPSA-N	0	3	282.387	2.163	10	30		CEEEHN
C=C(Br)CN[C@H]1CCN2CCCC[C@@H]12	ZINC000219248834	370220848	/nfs/dbraw/zinc/22/08/48/370220848.db2.gz	GOVPOQZUSIIPFT-QWRGUYRKSA-N	0	3	259.191	2.111	10	30		CEEEHN
C=C(Br)CN1C[C@@H]2CCCN2C[C@@H]1CC	ZINC000228259446	370401078	/nfs/dbraw/zinc/40/10/78/370401078.db2.gz	KSPHWPZHJHIPGN-RYUDHWBXSA-N	0	3	273.218	2.454	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(C#N)cc2)C1	ZINC000246836312	371018036	/nfs/dbraw/zinc/01/80/36/371018036.db2.gz	DYJRVOUFOWYELT-SWLSCSKDSA-N	0	3	271.364	2.017	10	30		CEEEHN
C=CCC[C@H](O)CN1CCC[C@H](n2cc(C)cn2)C1	ZINC000247684130	371134987	/nfs/dbraw/zinc/13/49/87/371134987.db2.gz	ZXXGEIMKBSPAGM-GJZGRUSLSA-N	0	3	263.385	2.156	10	30		CEEEHN
C=CCOc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1	ZINC000392939804	375324192	/nfs/dbraw/zinc/32/41/92/375324192.db2.gz	OLPCKOOWTQYRTN-DOMZBBRYSA-N	0	3	274.364	2.008	10	30		CEEEHN
CC[C@@H](C)CN(C)C(=O)c1csc(C#CCN)c1	ZINC000093975759	184747432	/nfs/dbraw/zinc/74/74/32/184747432.db2.gz	HOLLTIFANZWVID-LLVKDONJSA-N	0	3	264.394	2.176	10	30		CEEEHN
C[C@H]1CN2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000096537356	394697864	/nfs/dbraw/zinc/69/78/64/394697864.db2.gz	OYDCXCHXAJWDBL-SMDDNHRTSA-N	0	3	286.335	2.139	10	30		CEEEHN
C=C(Br)CN1CCN2CCCC[C@@H]2C1	ZINC000125288505	394842648	/nfs/dbraw/zinc/84/26/48/394842648.db2.gz	AUQGCULFZIBMHW-LLVKDONJSA-N	0	3	259.191	2.065	10	30		CEEEHN
Cc1cc(C#N)ccc1CN1CCC[C@H](n2cncn2)C1	ZINC000186218217	395286636	/nfs/dbraw/zinc/28/66/36/395286636.db2.gz	DKLKZAZYBVQMGX-INIZCTEOSA-N	0	3	281.363	2.295	10	30		CEEEHN
C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccs1	ZINC000192941248	395397273	/nfs/dbraw/zinc/39/72/73/395397273.db2.gz	NSHXQAVCIRUDOV-MNOVXSKESA-N	0	3	265.382	2.159	10	30		CEEEHN
CN(C)CCN[C@@H](C#N)c1c(F)cccc1Cl	ZINC000020175254	171041741	/nfs/dbraw/zinc/04/17/41/171041741.db2.gz	BVNWIUOWAGGOPL-NSHDSACASA-N	0	3	255.724	2.195	10	30		CEEEHN
C#CCNC(=O)[C@@H](C)NCCc1ccc(Cl)cc1Cl	ZINC000020364450	171163059	/nfs/dbraw/zinc/16/30/59/171163059.db2.gz	MKYNVTFLCLSCGH-SNVBAGLBSA-N	0	3	299.201	2.263	10	30		CEEEHN
C=CCNC(=O)[C@H](C)N[C@H]1CCCc2ccccc21	ZINC000035179977	172033337	/nfs/dbraw/zinc/03/33/37/172033337.db2.gz	YUMVENNITHPYPA-WFASDCNBSA-N	0	3	258.365	2.344	10	30		CEEEHN
Cc1cc(C)c(C#N)c(OCCN2CCCCC2)n1	ZINC000040509244	174303285	/nfs/dbraw/zinc/30/32/85/174303285.db2.gz	TYILVHKOVSTYAG-UHFFFAOYSA-N	0	3	259.353	2.435	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@H]1C[C@H](OC)CN1	ZINC000040634085	174360102	/nfs/dbraw/zinc/36/01/02/174360102.db2.gz	UOELZBQJPDHMAX-WCQYABFASA-N	0	3	292.404	2.280	10	30		CEEEHN
NCC#Cc1ccc(CN2CCCCCCC2=O)s1	ZINC000043684309	175092978	/nfs/dbraw/zinc/09/29/78/175092978.db2.gz	IMUWLKQCNKBQDX-UHFFFAOYSA-N	0	3	276.405	2.351	10	30		CEEEHN
NCC#Cc1ccsc1COc1cccc(CO)c1	ZINC000043685445	175094201	/nfs/dbraw/zinc/09/42/01/175094201.db2.gz	IFRXIQPTSDEHSZ-UHFFFAOYSA-N	0	3	273.357	2.130	10	30		CEEEHN
COCCN(CC[C@](C)(C#N)NC(C)C)[C@@H](C)C1CC1	ZINC000045182603	175325647	/nfs/dbraw/zinc/32/56/47/175325647.db2.gz	LGZOQJTVTKRCNJ-GOEBONIOSA-N	0	3	281.444	2.404	10	30		CEEEHN
CCN[C@@](C)(C#N)CCCN1CCN(C(C)(C)C)CC1	ZINC000045318442	175359073	/nfs/dbraw/zinc/35/90/73/175359073.db2.gz	SYWDPLWHGMXPGK-MRXNPFEDSA-N	0	3	280.460	2.074	10	30		CEEEHN
CCCN[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O	ZINC000071039557	176027336	/nfs/dbraw/zinc/02/73/36/176027336.db2.gz	JWXHYFKESGVSHZ-ZDUSSCGKSA-N	0	3	277.755	2.317	10	30		CEEEHN
CC1CCN(Cc2ccc(F)cc2/C(N)=N/O)CC1	ZINC000071266683	176100613	/nfs/dbraw/zinc/10/06/13/176100613.db2.gz	YUCHSCCKJFNEDL-UHFFFAOYSA-N	0	3	265.332	2.152	10	30		CEEEHN
Cc1ccccc1[C@H](C)NCCC(=O)N(C)CCC#N	ZINC000181562065	261903024	/nfs/dbraw/zinc/90/30/24/261903024.db2.gz	MHDLXXBDFZQSGY-AWEZNQCLSA-N	0	3	273.380	2.408	10	30		CEEEHN
COC(=O)C1CCC(N[C@H]2CCC[C@H]2C#N)CC1	ZINC000305821357	268005952	/nfs/dbraw/zinc/00/59/52/268005952.db2.gz	HCXLDKSXGZBWTJ-MVKMKZAISA-N	0	3	250.342	2.000	10	30		CEEEHN
N#Cc1ccc(F)c(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1	ZINC000398987009	270364698	/nfs/dbraw/zinc/36/46/98/270364698.db2.gz	FXIKAAMJKXRTBQ-GUTXKFCHSA-N	0	3	274.339	2.290	10	30		CEEEHN
Cc1cc(N2CC[C@@H](N3CCCC3)C2)c(C#N)c(C)n1	ZINC000156580436	280567867	/nfs/dbraw/zinc/56/78/67/280567867.db2.gz	FBPCNRRQENBJHN-CQSZACIVSA-N	0	3	270.380	2.245	10	30		CEEEHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000424066110	330219295	/nfs/dbraw/zinc/21/92/95/330219295.db2.gz	NAFJCXVCEBKTOM-AXFHLTTASA-N	0	3	291.317	2.245	10	30		CEEEHN
C=CCCCCCN1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000248823170	334318315	/nfs/dbraw/zinc/31/83/15/334318315.db2.gz	YTLOMTLZOSAOMW-GJZGRUSLSA-N	0	3	254.418	2.120	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N1CCC(COC)CC1	ZINC000068616629	520030769	/nfs/dbraw/zinc/03/07/69/520030769.db2.gz	JVWZDFSXZLXQGR-GDBMZVCRSA-N	0	3	281.444	2.405	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000061316717	521944598	/nfs/dbraw/zinc/94/45/98/521944598.db2.gz	MNPAGQDXNSLFOQ-UHFFFAOYSA-N	0	3	275.352	2.306	10	30		CEEEHN
CC#CCOc1c(CNCCOC)cccc1OCC	ZINC000062732796	519345137	/nfs/dbraw/zinc/34/51/37/519345137.db2.gz	KPBZNBLXHNVVGO-UHFFFAOYSA-N	0	3	277.364	2.223	10	30		CEEEHN
CCC(CC)C(=O)Nc1cc(C#CCN)ccc1OC	ZINC000049587385	521501010	/nfs/dbraw/zinc/50/10/10/521501010.db2.gz	DMPMQWFBHUBRAE-UHFFFAOYSA-N	0	3	274.364	2.380	10	30		CEEEHN
CCOC1CCN(Cc2ccccc2C#CCO)CC1	ZINC000049613567	521656599	/nfs/dbraw/zinc/65/65/99/521656599.db2.gz	QVRQYAKTMPYKQK-UHFFFAOYSA-N	0	3	273.376	2.031	10	30		CEEEHN
CCOC1CCN(Cc2ccc(F)cc2C#CCN)CC1	ZINC000049609447	521657206	/nfs/dbraw/zinc/65/72/06/521657206.db2.gz	YTUXWFZJAKHEBZ-UHFFFAOYSA-N	0	3	290.382	2.137	10	30		CEEEHN
CN(Cc1ccc(C#CCCO)cc1F)C1CCOCC1	ZINC000049613276	523204330	/nfs/dbraw/zinc/20/43/30/523204330.db2.gz	QGFSSXRHKMGILC-UHFFFAOYSA-N	0	3	291.366	2.170	10	30		CEEEHN
CN(Cc1ccc(F)c(C#CCN)c1)CC(F)(F)F	ZINC000049609407	523239466	/nfs/dbraw/zinc/23/94/66/523239466.db2.gz	VIGATTVAZZLMKQ-UHFFFAOYSA-N	0	3	274.261	2.130	10	30		CEEEHN
COCCCN(CCOC)[C@H](C)C[C@](C)(C#N)NC(C)C	ZINC000068612897	523257680	/nfs/dbraw/zinc/25/76/80/523257680.db2.gz	OKYGUHQLQKMQKE-HZPDHXFCSA-N	0	3	299.459	2.030	10	30		CEEEHN
CN(C(=O)[C@H](CN)c1ccccc1)c1ccc(C#N)cc1	ZINC000061980468	523904725	/nfs/dbraw/zinc/90/47/25/523904725.db2.gz	WRDUIXYIIGMOFH-MRXNPFEDSA-N	0	3	279.343	2.264	10	30		CEEEHN
C[C@@H](NC(=O)c1ccoc1)c1ccc(C#CCN)cc1	ZINC000049586762	525366615	/nfs/dbraw/zinc/36/66/15/525366615.db2.gz	QBQQHGHDCCEDCC-GFCCVEGCSA-N	0	3	268.316	2.081	10	30		CEEEHN
C[C@H]1CCCN(C(=O)c2cc(F)ccc2C#CCN)[C@H]1C	ZINC000050568531	526266672	/nfs/dbraw/zinc/26/66/72/526266672.db2.gz	GUJBQJRTMUZFEM-STQMWFEESA-N	0	3	288.366	2.397	10	30		CEEEHN
N#CC(C(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCCO2	ZINC000050963948	526493283	/nfs/dbraw/zinc/49/32/83/526493283.db2.gz	NYYWXFQHPIJOKS-OCCSQVGLSA-N	0	3	287.315	2.203	10	30		CEEEHN
NCC#Cc1ccc(C(=O)NCCc2ccsc2)cc1	ZINC000049189235	527149088	/nfs/dbraw/zinc/14/90/88/527149088.db2.gz	SVHSMOMTJXFBQJ-UHFFFAOYSA-N	0	3	284.384	2.031	10	30		CEEEHN
NCC#Cc1cncc(C(=O)Nc2ccc(Cl)cc2)c1	ZINC000049629333	527155170	/nfs/dbraw/zinc/15/51/70/527155170.db2.gz	QHVJICYJNQRQET-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
NCc1cccc(NC(=O)C#Cc2ccccc2)c1	ZINC000063191005	527258481	/nfs/dbraw/zinc/25/84/81/527258481.db2.gz	ARBVFRMZFHSFHI-UHFFFAOYSA-N	0	3	250.301	2.136	10	30		CEEEHN
O=C(NCC#CCN1CCCC1)Nc1c(F)cccc1F	ZINC000075164671	625100617	/nfs/dbraw/zinc/10/06/17/625100617.db2.gz	BRUCVABIRVVLPV-UHFFFAOYSA-N	0	3	293.317	2.186	10	30		CEEEHN
C[C@H](C#N)Oc1c(Br)cccc1CN	ZINC000043513819	362147122	/nfs/dbraw/zinc/14/71/22/362147122.db2.gz	RMZBSEGLCZZBJV-SSDOTTSWSA-N	0	3	255.115	2.199	10	30		CEEEHN
NCC#Cc1ccc(OCc2ccncc2)cc1F	ZINC000087438987	179426170	/nfs/dbraw/zinc/42/61/70/179426170.db2.gz	UCFKAPMHJFZVHF-UHFFFAOYSA-N	0	3	256.280	2.110	10	30		CEEEHN
Cc1c(F)cccc1NC(=O)c1ccncc1C#CCN	ZINC000091462624	180162021	/nfs/dbraw/zinc/16/20/21/180162021.db2.gz	AVWIEYOCAKXORC-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
Cc1ccc([C@@H](C)NC(=O)c2ccncc2C#CCN)s1	ZINC000091462249	180162305	/nfs/dbraw/zinc/16/23/05/180162305.db2.gz	ZIVBAKJBPDSULH-GFCCVEGCSA-N	0	3	299.399	2.253	10	30		CEEEHN
CCC(CC)(CC)NC(=O)c1ccncc1C#CCN	ZINC000091463617	180162661	/nfs/dbraw/zinc/16/26/61/180162661.db2.gz	PJWMMMLNKIDQQT-UHFFFAOYSA-N	0	3	273.380	2.090	10	30		CEEEHN
CSC1(C#N)CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000091471819	180165670	/nfs/dbraw/zinc/16/56/70/180165670.db2.gz	OBDRRSOEUJHSGJ-VXGBXAGGSA-N	0	3	254.399	2.011	10	30		CEEEHN
CSC1(C#N)CCN(C[C@H]2CCCCO2)CC1	ZINC000091473642	180165684	/nfs/dbraw/zinc/16/56/84/180165684.db2.gz	VXMQWUFWTLXNBA-GFCCVEGCSA-N	0	3	254.399	2.277	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)N2CCCCC2)c(F)c1	ZINC000091969674	180294898	/nfs/dbraw/zinc/29/48/98/180294898.db2.gz	JDZUUXVVWVOTPL-UHFFFAOYSA-N	0	3	275.327	2.154	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)N2CCCCCC2)c1	ZINC000091971835	180295630	/nfs/dbraw/zinc/29/56/30/180295630.db2.gz	LVUJUWDNGGERHS-UHFFFAOYSA-N	0	3	285.391	2.082	10	30		CEEEHN
C=CCNCC(=O)N(C)Cc1ccccc1Cl	ZINC000105913829	186088832	/nfs/dbraw/zinc/08/88/32/186088832.db2.gz	QDPMCHOSMUPGMB-UHFFFAOYSA-N	0	3	252.745	2.074	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC000092474026	180393809	/nfs/dbraw/zinc/39/38/09/180393809.db2.gz	LHKAMADTXOEECZ-MGPQQGTHSA-N	0	3	252.402	2.339	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)cc2)CC1	ZINC000110817781	186327234	/nfs/dbraw/zinc/32/72/34/186327234.db2.gz	DYQBTZPUERYWJS-CQSZACIVSA-N	0	3	270.376	2.259	10	30		CEEEHN
CN(CC1CCCC1)C(=O)c1ccc(C#CCN)s1	ZINC000110847563	186329051	/nfs/dbraw/zinc/32/90/51/186329051.db2.gz	PKOZOOIETLMHBW-UHFFFAOYSA-N	0	3	276.405	2.321	10	30		CEEEHN
COc1ccc(CSc2cnccn2)cc1C#CCN	ZINC000110914153	186332543	/nfs/dbraw/zinc/33/25/43/186332543.db2.gz	RQYZWUACBOIYAS-UHFFFAOYSA-N	0	3	285.372	2.088	10	30		CEEEHN
C=CCNC(=O)COc1cc(C)ccc1[C@@H](C)NCC	ZINC000110960544	186336214	/nfs/dbraw/zinc/33/62/14/186336214.db2.gz	IAJGRNYHPRLLCA-CYBMUJFWSA-N	0	3	276.380	2.347	10	30		CEEEHN
CC[C@H]1CN(CCCOc2ccc(C#N)cc2)CCN1C	ZINC000110718807	186315493	/nfs/dbraw/zinc/31/54/93/186315493.db2.gz	JAKCJTHWTNXNNE-INIZCTEOSA-N	0	3	287.407	2.353	10	30		CEEEHN
CC[C@@H]1CN(CCOc2ccc(CC#N)cc2)CCN1C	ZINC000110718882	186315550	/nfs/dbraw/zinc/31/55/50/186315550.db2.gz	HFRFITFHKKQSHG-MRXNPFEDSA-N	0	3	287.407	2.157	10	30		CEEEHN
C[C@@H](Cc1ccco1)NC(=O)c1sccc1C#CCN	ZINC000111541197	186426903	/nfs/dbraw/zinc/42/69/03/186426903.db2.gz	XMNPSVZWWVEDPS-NSHDSACASA-N	0	3	288.372	2.012	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@@H]1CCCc2sccc21	ZINC000061362387	126122127	/nfs/dbraw/zinc/12/21/27/126122127.db2.gz	GIUCZJYHGZVSCE-ZYHUDNBSSA-N	0	3	264.394	2.406	10	30		CEEEHN
C=CCOCc1cc(N)ccc1OCCN1CCCC1	ZINC000095635506	364392511	/nfs/dbraw/zinc/39/25/11/364392511.db2.gz	AFXLLLIKSUPLOQ-UHFFFAOYSA-N	0	3	276.380	2.446	10	30		CEEEHN
N#CCc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1	ZINC000171887556	367634099	/nfs/dbraw/zinc/63/40/99/367634099.db2.gz	XBULDXDDONFBDC-HNNXBMFYSA-N	0	3	284.363	2.065	10	30		CEEEHN
C=C(Br)CN[C@@H]1CCN2CCCC[C@@H]12	ZINC000219248775	370221265	/nfs/dbraw/zinc/22/12/65/370221265.db2.gz	GOVPOQZUSIIPFT-MNOVXSKESA-N	0	3	259.191	2.111	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)cs2)C1	ZINC000247053488	371056618	/nfs/dbraw/zinc/05/66/18/371056618.db2.gz	IJPOYWPZPGMLLN-ZYHUDNBSSA-N	0	3	277.393	2.078	10	30		CEEEHN
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCCC#N	ZINC000249730049	371357376	/nfs/dbraw/zinc/35/73/76/371357376.db2.gz	YUVAEGVFWHEQHF-MCIONIFRSA-N	0	3	264.369	2.486	10	30		CEEEHN
CC(=O)c1ccc(C#N)cc1N1C[C@H](C)[C@H](N(C)C)C1	ZINC000252747635	371475441	/nfs/dbraw/zinc/47/54/41/371475441.db2.gz	CUUJKCLALITJIQ-MEDUHNTESA-N	0	3	271.364	2.147	10	30		CEEEHN
C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1	ZINC000392939808	375324249	/nfs/dbraw/zinc/32/42/49/375324249.db2.gz	OLPCKOOWTQYRTN-SWLSCSKDSA-N	0	3	274.364	2.008	10	30		CEEEHN
C[C@H]1CCCCN1C(=O)c1csc(C#CCN)c1	ZINC000093975577	184747113	/nfs/dbraw/zinc/74/71/13/184747113.db2.gz	JICYAXCOPLYONI-NSHDSACASA-N	0	3	262.378	2.073	10	30		CEEEHN
Cc1cc(C#CCN)ccc1NC(=O)c1cccnc1C	ZINC000094649391	184834370	/nfs/dbraw/zinc/83/43/70/184834370.db2.gz	LWYUAUMTPSXDES-UHFFFAOYSA-N	0	3	279.343	2.261	10	30		CEEEHN
COc1cc(CNC[C@@H](O)C(C)(C)C)ccc1C#N	ZINC000281638301	195317636	/nfs/dbraw/zinc/31/76/36/195317636.db2.gz	ITECANALNPWIGG-CQSZACIVSA-N	0	3	262.353	2.063	10	30		CEEEHN
CC(C)[C@@H](N)C(=O)N1CCC2(C1)CCC(CS)CC2	ZINC000095087952	394671794	/nfs/dbraw/zinc/67/17/94/394671794.db2.gz	NQUWPZFKXRAACE-JVWICGRDSA-N	0	3	284.469	2.308	10	30		CEEEHN
Cn1cc([C@@H]2CCCN2CCCSCC#N)cn1	ZINC000173882186	395116613	/nfs/dbraw/zinc/11/66/13/395116613.db2.gz	JXSSXLDAKWZDNX-ZDUSSCGKSA-N	0	3	264.398	2.204	10	30		CEEEHN
CC#CCN1CC[C@H](CN(C)Cc2scnc2C)C1	ZINC000195254313	395463286	/nfs/dbraw/zinc/46/32/86/395463286.db2.gz	JOPOVCHLPHCPAE-CQSZACIVSA-N	0	3	277.437	2.229	10	30		CEEEHN
CC[C@@H]([NH3+])[C@]([O-])(c1cccc(C#N)c1)C(F)(F)F	ZINC000062784332	522654640	/nfs/dbraw/zinc/65/46/40/522654640.db2.gz	UMROIKADTLJMGZ-GHMZBOCLSA-N	0	3	258.243	2.045	10	30		CEEEHN
CCCCCCCCCCS(=O)(=O)C(C)C(N)=O	ZINC000043352509	175020000	/nfs/dbraw/zinc/02/00/00/175020000.db2.gz	VCUIYPJOHXLIRY-GFCCVEGCSA-N	0	3	277.430	2.416	10	30		CEEEHN
CN(Cc1ccc(C#CCN)s1)Cc1cccnc1	ZINC000043683731	175091788	/nfs/dbraw/zinc/09/17/88/175091788.db2.gz	MGNLNYLLBCBLOF-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
NCC#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)s1	ZINC000043684281	175093313	/nfs/dbraw/zinc/09/33/13/175093313.db2.gz	CTFOBZLMJTTZCV-JKSUJKDBSA-N	0	3	290.432	2.202	10	30		CEEEHN
CN(Cc1cc(C#CCN)cs1)Cc1ccccn1	ZINC000043688923	175095598	/nfs/dbraw/zinc/09/55/98/175095598.db2.gz	YRAKKPNYUXFVFW-UHFFFAOYSA-N	0	3	271.389	2.085	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)C2(C#N)CCCCCC2)C1	ZINC000044766545	175249453	/nfs/dbraw/zinc/24/94/53/175249453.db2.gz	YPBLOILTYQZPDF-CQSZACIVSA-N	0	3	277.412	2.451	10	30		CEEEHN
CC(C)N[C@@](C)(C#N)CCN(C)C[C@@H]1CCCCO1	ZINC000045181892	175324645	/nfs/dbraw/zinc/32/46/45/175324645.db2.gz	FSJFNZMLZUDLLY-LSDHHAIUSA-N	0	3	267.417	2.158	10	30		CEEEHN
CC[C@H](C)N(CCOC)CC[C@@](C)(C#N)NC1CC1	ZINC000045182728	175325722	/nfs/dbraw/zinc/32/57/22/175325722.db2.gz	XNWDEMDYQXMROI-ZFWWWQNUSA-N	0	3	267.417	2.158	10	30		CEEEHN
CCCN[C@@H]1CCCN(c2ccc(CC#N)cc2)C1=O	ZINC000071041466	176028217	/nfs/dbraw/zinc/02/82/17/176028217.db2.gz	NKDRVSBLGDKQND-OAHLLOKOSA-N	0	3	271.364	2.248	10	30		CEEEHN
CCN(CC)CCN[C@](C)(C#N)Cc1ccc(OC)cc1	ZINC000071169531	176050579	/nfs/dbraw/zinc/05/05/79/176050579.db2.gz	WNIPJZTXOUULOK-KRWDZBQOSA-N	0	3	289.423	2.451	10	30		CEEEHN
Cc1ccc(C(=O)NCc2ccc(C#CCN)s2)cc1	ZINC000071322669	176122929	/nfs/dbraw/zinc/12/29/29/176122929.db2.gz	DVGPFXQTGWZMGM-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
Cc1cc(C(=O)NCc2ccc(C#CCN)s2)c(C)o1	ZINC000071322767	176123416	/nfs/dbraw/zinc/12/34/16/176123416.db2.gz	DMLBIXUXDMXAMV-UHFFFAOYSA-N	0	3	288.372	2.198	10	30		CEEEHN
CN(C)c1cccc2c1C(=O)N(Cc1nccs1)C2C#N	ZINC000071679316	176244303	/nfs/dbraw/zinc/24/43/03/176244303.db2.gz	FCYGMXMTJNWKDR-GFCCVEGCSA-N	0	3	298.371	2.430	10	30		CEEEHN
CCC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N(C)C	ZINC000161482043	276037186	/nfs/dbraw/zinc/03/71/86/276037186.db2.gz	CSKMEXQRXDSPPZ-OAHLLOKOSA-N	0	3	273.380	2.247	10	30		CEEEHN
C=C[C@@H](C)Oc1ccc(CNCCOC)cc1[N+](=O)[O-]	ZINC000062730746	519292983	/nfs/dbraw/zinc/29/29/83/519292983.db2.gz	DZSJBCTUVOAWFJ-LLVKDONJSA-N	0	3	280.324	2.284	10	30		CEEEHN
C=C(C)COc1c(OC)cc(CNCCOC)cc1OC	ZINC000062732853	518611481	/nfs/dbraw/zinc/61/14/81/518611481.db2.gz	IBGSYMOYPBMVFR-UHFFFAOYSA-N	0	3	295.379	2.395	10	30		CEEEHN
CC#CCOc1ccc(CNCCOC)cc1OCC	ZINC000062731236	519344285	/nfs/dbraw/zinc/34/42/85/519344285.db2.gz	VXQDQUWDNQMFMC-UHFFFAOYSA-N	0	3	277.364	2.223	10	30		CEEEHN
CC(C)C(=O)Nc1cc(C#CCN)ccc1Cl	ZINC000061691970	519516865	/nfs/dbraw/zinc/51/68/65/519516865.db2.gz	FGGJGPRHPDWUHQ-UHFFFAOYSA-N	0	3	250.729	2.245	10	30		CEEEHN
CCN[C@](C)(C#N)CCCCN1CCN([C@@H](C)CC)CC1	ZINC000055070196	520225010	/nfs/dbraw/zinc/22/50/10/520225010.db2.gz	PHGZXBJOEQGIPC-IRXDYDNUSA-N	0	3	294.487	2.465	10	30		CEEEHN
CC[C@H](C)[C@H](C)NC(=O)c1ccccc1C#CCN	ZINC000049105789	521934193	/nfs/dbraw/zinc/93/41/93/521934193.db2.gz	ODKNKVDIZUZKGN-STQMWFEESA-N	0	3	258.365	2.161	10	30		CEEEHN
COCC1CCN([C@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068616641	522938396	/nfs/dbraw/zinc/93/83/96/522938396.db2.gz	XTUZPOWSEDCTSM-ZBFHGGJFSA-N	0	3	281.444	2.404	10	30		CEEEHN
CC[C@H]1CO[C@H](C)CN1Cc1ccc(F)cc1C#CCN	ZINC000049609847	523352383	/nfs/dbraw/zinc/35/23/83/523352383.db2.gz	SHCOXBITNBIDJD-DYVFJYSZSA-N	0	3	290.382	2.135	10	30		CEEEHN
COc1ccc(C#CCN)cc1CSc1nncs1	ZINC000049611421	523516254	/nfs/dbraw/zinc/51/62/54/523516254.db2.gz	VOHSSQNWDFBCAR-UHFFFAOYSA-N	0	3	291.401	2.149	10	30		CEEEHN
COc1ccc(C#CCO)cc1CN(C)CC(C)C	ZINC000049617764	523517720	/nfs/dbraw/zinc/51/77/20/523517720.db2.gz	JQRUPYJZQMBHRQ-UHFFFAOYSA-N	0	3	261.365	2.127	10	30		CEEEHN
Cc1ccc(F)c(NC(=O)c2cncc(C#CCN)c2)c1	ZINC000049629527	524823657	/nfs/dbraw/zinc/82/36/57/524823657.db2.gz	VGOOKMQRNRWBLM-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
C[C@@H](NC(=O)c1ccco1)c1cccc(C#CCN)c1	ZINC000049587138	525358203	/nfs/dbraw/zinc/35/82/03/525358203.db2.gz	KKLHQWNKXNXIFK-GFCCVEGCSA-N	0	3	268.316	2.081	10	30		CEEEHN
C[C@H](C#N)Oc1cc(CNC2CC2)ccc1[N+](=O)[O-]	ZINC000050517224	525924536	/nfs/dbraw/zinc/92/45/36/525924536.db2.gz	ZYAKVURXXPBRTP-SECBINFHSA-N	0	3	261.281	2.138	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)C2CCC2)c1	ZINC000061691991	527150875	/nfs/dbraw/zinc/15/08/75/527150875.db2.gz	GLAQGPNBTOCIJU-UHFFFAOYSA-N	0	3	262.740	2.389	10	30		CEEEHN
NCC#Cc1cccc(COc2ccccc2[N+](=O)[O-])c1	ZINC000049611128	527153227	/nfs/dbraw/zinc/15/32/27/527153227.db2.gz	KOEFUOQQEHTUIP-UHFFFAOYSA-N	0	3	282.299	2.484	10	30		CEEEHN
Cn1cc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cn1	ZINC000245952519	527297579	/nfs/dbraw/zinc/29/75/79/527297579.db2.gz	BHQOCBNQENRZNB-DLBZAZTESA-N	0	3	296.374	2.162	10	30		CEEEHN
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCCC#N	ZINC000089147986	640090625	/nfs/dbraw/zinc/09/06/25/640090625.db2.gz	QCRQHVYBQYANRS-NWDGAFQWSA-N	0	3	267.373	2.183	10	30		CEEEHN
C=C(C)CN(C)Cn1cnc2c1ncnc2NC(C)C	ZINC000182611791	641684791	/nfs/dbraw/zinc/68/47/91/641684791.db2.gz	AZJWAUYPYCJUSP-UHFFFAOYSA-N	0	3	274.372	2.112	10	30		CEEEHN
CC(C#N)S(=O)(=O)c1ccccc1Br	ZINC000043522869	362146776	/nfs/dbraw/zinc/14/67/76/362146776.db2.gz	QZWAUYHIMKWXJZ-SSDOTTSWSA-N	0	3	274.139	2.135	10	30		CEEEHN
CCC[C@H]1C[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000233406759	344581676	/nfs/dbraw/zinc/58/16/76/344581676.db2.gz	LCXHDMYUCXGAFO-ZFWWWQNUSA-N	0	3	292.404	2.110	10	30		CEEEHN
C[C@H](N)c1cc(Br)ccc1OCC#N	ZINC000052066580	362463956	/nfs/dbraw/zinc/46/39/56/362463956.db2.gz	SAAGFKOFRHCTMF-ZETCQYMHSA-N	0	3	255.115	2.371	10	30		CEEEHN
CCCN[C@@](C)(C#N)C[C@@H](C)N(CC)[C@@H](C)COC	ZINC000084293229	178845123	/nfs/dbraw/zinc/84/51/23/178845123.db2.gz	MQBOUQVFEMYYSV-QLFBSQMISA-N	0	3	269.433	2.404	10	30		CEEEHN
CCOC(=O)C1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000336814031	365855409	/nfs/dbraw/zinc/85/54/09/365855409.db2.gz	WESOTCZVKKSBKZ-FKZOYECMSA-N	0	3	264.369	2.390	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2cccc(C#CCN)c2)[C@@H]1C	ZINC000086081142	179227262	/nfs/dbraw/zinc/22/72/62/179227262.db2.gz	YZQRJEVCKNSPLN-IOASZLSFSA-N	0	3	270.376	2.161	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2C#CCN)[C@@H]1C	ZINC000086081138	179227360	/nfs/dbraw/zinc/22/73/60/179227360.db2.gz	KWKLFJHTTHVLGF-HSMVNMDESA-N	0	3	288.366	2.300	10	30		CEEEHN
N#Cc1ccsc1NC(=O)[C@@H]1CNCc2ccccc21	ZINC000087618522	179456369	/nfs/dbraw/zinc/45/63/69/179456369.db2.gz	KBNYKYOHYQTNHQ-CYBMUJFWSA-N	0	3	283.356	2.445	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1N	ZINC000090589681	180010623	/nfs/dbraw/zinc/01/06/23/180010623.db2.gz	AEMNADLUUQSHEZ-ZFWWWQNUSA-N	0	3	292.404	2.267	10	30		CEEEHN
N#Cc1ccc(Cl)cc1NC(=O)C[C@@H]1CSCCN1	ZINC000091134797	180103802	/nfs/dbraw/zinc/10/38/02/180103802.db2.gz	DKMRNBHVWNPLQW-LLVKDONJSA-N	0	3	295.795	2.245	10	30		CEEEHN
Cc1cc(NC(=O)c2ccncc2C#CCN)ccc1F	ZINC000091463024	180162695	/nfs/dbraw/zinc/16/26/95/180162695.db2.gz	WIBISUVLORKXFA-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CC1(C)C(C(=O)NCc2cccc(C#CCN)c2)C1(C)C	ZINC000091493004	180170754	/nfs/dbraw/zinc/17/07/54/180170754.db2.gz	MDHVYSSDVMKFJC-UHFFFAOYSA-N	0	3	284.403	2.295	10	30		CEEEHN
C=CCCCOCCn1cc(CNC(C)(C)C)nn1	ZINC000091842171	180269143	/nfs/dbraw/zinc/26/91/43/180269143.db2.gz	RTGHSFCUIIGADA-UHFFFAOYSA-N	0	3	266.389	2.149	10	30		CEEEHN
Cc1cc(C#CCN)ccc1NC(=O)N1CCCCC1	ZINC000091969677	180294992	/nfs/dbraw/zinc/29/49/92/180294992.db2.gz	XHDOISJSBHTYFP-UHFFFAOYSA-N	0	3	271.364	2.323	10	30		CEEEHN
N#C[C@]1([C@]2(O)CCN(C3CC3)C2)CCc2ccccc2C1	ZINC000091878823	180279020	/nfs/dbraw/zinc/27/90/20/180279020.db2.gz	YONZAWPXLAJEAR-ROUUACIJSA-N	0	3	282.387	2.284	10	30		CEEEHN
C=CCNCC(=O)N[C@@H]1CCSc2ccc(F)cc21	ZINC000092473873	180394066	/nfs/dbraw/zinc/39/40/66/180394066.db2.gz	YWERZNZBFWMPLY-GFCCVEGCSA-N	0	3	280.368	2.254	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@@H](C)NC	ZINC000110959857	186336950	/nfs/dbraw/zinc/33/69/50/186336950.db2.gz	JJHGZRGHDPPXOX-CHWSQXEVSA-N	0	3	276.380	2.345	10	30		CEEEHN
CC[C@H]1CN(CCC[C@@](C)(C#N)NC(C)C)CCN1C	ZINC000110737306	186318509	/nfs/dbraw/zinc/31/85/09/186318509.db2.gz	PTQMLELUOWDXLU-HOTGVXAUSA-N	0	3	280.460	2.073	10	30		CEEEHN
CN(C)c1ccc(NC(=O)c2sccc2C#CCN)cc1	ZINC000111540756	186427433	/nfs/dbraw/zinc/42/74/33/186427433.db2.gz	GIGJHGHFVZBSAT-UHFFFAOYSA-N	0	3	299.399	2.377	10	30		CEEEHN
Cc1nccn1C[C@H]1CCCN1Cc1ccc(C#N)o1	ZINC000180125341	189238354	/nfs/dbraw/zinc/23/83/54/189238354.db2.gz	TYDYECGLPYHCJP-CYBMUJFWSA-N	0	3	270.336	2.321	10	30		CEEEHN
CC(C)NCc1ccc(OCc2ccnc(C#N)c2)cn1	ZINC000094210848	184762852	/nfs/dbraw/zinc/76/28/52/184762852.db2.gz	YRCMZMWVMYUAMP-UHFFFAOYSA-N	0	3	282.347	2.425	10	30		CEEEHN
CCOCCC(=O)Nc1ccc(Cl)c(C#CCN)c1	ZINC000094671624	184838171	/nfs/dbraw/zinc/83/81/71/184838171.db2.gz	ARBOIGJABGNIPV-UHFFFAOYSA-N	0	3	280.755	2.015	10	30		CEEEHN
Cc1cc(N2CCN(CC3CC3)CC2)ccc1C#N	ZINC000089065385	135057696	/nfs/dbraw/zinc/05/76/96/135057696.db2.gz	CTQYBYFWWAKUAP-UHFFFAOYSA-N	0	3	255.365	2.399	10	30		CEEEHN
N#Cc1ccnnc1N[C@H]1CCN(Cc2ccccc2)C1	ZINC000306757528	400336569	/nfs/dbraw/zinc/33/65/69/400336569.db2.gz	SOSIFSUNTCMUJR-HNNXBMFYSA-N	0	3	279.347	2.035	10	30		CEEEHN
C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCOCC2)C1	ZINC000173922309	287131769	/nfs/dbraw/zinc/13/17/69/287131769.db2.gz	BNNFUUBFZGJQPP-YOEHRIQHSA-N	0	3	285.391	2.026	10	30		CEEEHN
N#Cc1c(NC(=O)c2ccoc2)sc2c1CCNC2	ZINC000035248191	172078504	/nfs/dbraw/zinc/07/85/04/172078504.db2.gz	KAJKIKJHXZCJFI-UHFFFAOYSA-N	0	3	273.317	2.111	10	30		CEEEHN
CCC[C@](C)(N)C(=O)N(CC#N)Cc1ccccc1	ZINC000038101699	174117854	/nfs/dbraw/zinc/11/78/54/174117854.db2.gz	NDQDZSHFFQPQPP-HNNXBMFYSA-N	0	3	259.353	2.056	10	30		CEEEHN
CCN[C@@](C)(C#N)CCN(CCOC)[C@@H](C)C1CC1	ZINC000045182595	175325498	/nfs/dbraw/zinc/32/54/98/175325498.db2.gz	RTSYSQXAVXRXRC-DZGCQCFKSA-N	0	3	267.417	2.015	10	30		CEEEHN
COCCN(CCC#N)[C@@H](CN)c1cccc(Cl)c1	ZINC000071222106	176087779	/nfs/dbraw/zinc/08/77/79/176087779.db2.gz	ZNGCPVGBTMAXGK-AWEZNQCLSA-N	0	3	281.787	2.202	10	30		CEEEHN
CCOC(=O)CCCCCN1CCN([C@H](C#N)CC)CC1	ZINC000071297584	176112786	/nfs/dbraw/zinc/11/27/86/176112786.db2.gz	ATKPUHVLUBXACG-HNNXBMFYSA-N	0	3	295.427	2.030	10	30		CEEEHN
CC[C@H](C#N)NC(=O)[C@@H]1CCCCN1C1CCCC1	ZINC000370059471	267287027	/nfs/dbraw/zinc/28/70/27/267287027.db2.gz	IOYRIRNNBOSGMJ-OCCSQVGLSA-N	0	3	263.385	2.202	10	30		CEEEHN
Cc1cc(C)cc(NC(=[NH2+])NCc2cnc(C)[n-]c2=O)c1	ZINC000262192779	330001621	/nfs/dbraw/zinc/00/16/21/330001621.db2.gz	GGUWBERYWLWUNH-UHFFFAOYSA-N	0	3	285.351	2.034	10	30		CEEEHN
C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000248619356	334309245	/nfs/dbraw/zinc/30/92/45/334309245.db2.gz	KMNBOBCRPPTTSV-MELADBBJSA-N	0	3	252.402	2.434	10	30		CEEEHN
CCCN[C@](C)(C#N)CCCN1CCN([C@H](C)CC)CC1	ZINC000055070142	520102008	/nfs/dbraw/zinc/10/20/08/520102008.db2.gz	YRQNMVZQJXXIQV-SJORKVTESA-N	0	3	294.487	2.465	10	30		CEEEHN
CCN[C@H](C#N)CCN1CC[C@H](c2ccccc2)C1	ZINC000062438711	520161193	/nfs/dbraw/zinc/16/11/93/520161193.db2.gz	WCFXLJGRYTVMCG-HOTGVXAUSA-N	0	3	257.381	2.368	10	30		CEEEHN
C#CCN1CCC(NCc2ccc(F)cc2F)CC1	ZINC000051016925	518267945	/nfs/dbraw/zinc/26/79/45/518267945.db2.gz	CAZZEANLZVFRLO-UHFFFAOYSA-N	0	3	264.319	2.152	10	30		CEEEHN
C#Cc1cccc(NC(=O)[C@H](CN)c2ccccc2)c1	ZINC000061610991	518364231	/nfs/dbraw/zinc/36/42/31/518364231.db2.gz	CQPVEEURZJFURT-MRXNPFEDSA-N	0	3	264.328	2.349	10	30		CEEEHN
C=CCNC(=O)COc1cc(F)ccc1[C@@H](C)NCC	ZINC000062746953	518894492	/nfs/dbraw/zinc/89/44/92/518894492.db2.gz	QAPXYTSMXZLDET-LLVKDONJSA-N	0	3	280.343	2.177	10	30		CEEEHN
C=CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)NC	ZINC000062746241	518924801	/nfs/dbraw/zinc/92/48/01/518924801.db2.gz	FHHWJQRAXVKOJM-MNOVXSKESA-N	0	3	280.343	2.176	10	30		CEEEHN
CC[C@@H](NC(=O)c1ccc(C#CCN)cc1)C(C)C	ZINC000049148546	522781443	/nfs/dbraw/zinc/78/14/43/522781443.db2.gz	VMLVCCFQERBYTJ-OAHLLOKOSA-N	0	3	258.365	2.161	10	30		CEEEHN
CN(Cc1cccc(C#CCO)c1)C[C@H]1CCCCO1	ZINC000049613705	523291971	/nfs/dbraw/zinc/29/19/71/523291971.db2.gz	HDVMMEIYAQURLY-QGZVFWFLSA-N	0	3	273.376	2.031	10	30		CEEEHN
CC[C@H]1CO[C@@H](C)CN1Cc1ccc(F)cc1C#CCN	ZINC000049609849	523342485	/nfs/dbraw/zinc/34/24/85/523342485.db2.gz	SHCOXBITNBIDJD-GUYCJALGSA-N	0	3	290.382	2.135	10	30		CEEEHN
CC[C@@H]1CO[C@H](C)CN1Cc1ccc(F)c(C#CCN)c1	ZINC000049609850	523517620	/nfs/dbraw/zinc/51/76/20/523517620.db2.gz	FDIGPPOLTGVVHK-CZUORRHYSA-N	0	3	290.382	2.135	10	30		CEEEHN
Cc1ccoc1C(=O)N(C)Cc1ccccc1C#CCN	ZINC000049586846	525776651	/nfs/dbraw/zinc/77/66/51/525776651.db2.gz	OBQINCGNDJWHKV-UHFFFAOYSA-N	0	3	282.343	2.170	10	30		CEEEHN
Cc1ccc(C(=O)NCc2cccc(C#CCN)c2)s1	ZINC000049586542	526187672	/nfs/dbraw/zinc/18/76/72/526187672.db2.gz	JYMNWFAJJLBQKG-UHFFFAOYSA-N	0	3	284.384	2.297	10	30		CEEEHN
Cc1nnc(N[C@@H](CC(C)C)CN(C)C)c(C#N)c1C	ZINC000049559983	526372354	/nfs/dbraw/zinc/37/23/54/526372354.db2.gz	AGTWKPWPGIWBPH-ZDUSSCGKSA-N	0	3	275.400	2.353	10	30		CEEEHN
N#Cc1cccnc1N1CCNCc2ccccc21	ZINC000062819178	526753463	/nfs/dbraw/zinc/75/34/63/526753463.db2.gz	QUXCRMFFBAJITH-UHFFFAOYSA-N	0	3	250.305	2.195	10	30		CEEEHN
NCC#Cc1cc(F)ccc1COc1ccc(CO)cc1	ZINC000049611149	527148794	/nfs/dbraw/zinc/14/87/94/527148794.db2.gz	UFVSBLLXDULCDC-UHFFFAOYSA-N	0	3	285.318	2.207	10	30		CEEEHN
NCC#Cc1ccc(Cl)c(NC(=O)c2cccnc2)c1	ZINC000061691983	527150090	/nfs/dbraw/zinc/15/00/90/527150090.db2.gz	NNDAKWCYIXYONB-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
NCC#Cc1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000049586467	527151210	/nfs/dbraw/zinc/15/12/10/527151210.db2.gz	ZXMSSLBFNQVPNB-UAGQMJEPSA-N	0	3	282.387	2.049	10	30		CEEEHN
NCC#Cc1ccc(NC(=O)CC[C@H]2CCCCO2)cc1	ZINC000069399451	527152548	/nfs/dbraw/zinc/15/25/48/527152548.db2.gz	IVBNSJVPQVNYGS-MRXNPFEDSA-N	0	3	286.375	2.285	10	30		CEEEHN
NCC#Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2	ZINC000049586352	527154697	/nfs/dbraw/zinc/15/46/97/527154697.db2.gz	XFSZRSAUGJIJCU-YSVLISHTSA-N	0	3	282.387	2.049	10	30		CEEEHN
Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@H](C)O2)c1	ZINC000121532081	640348836	/nfs/dbraw/zinc/34/88/36/640348836.db2.gz	XQXUSCMNKRQEFJ-YUTCNCBUSA-N	0	3	286.331	2.210	10	30		CEEEHN
C#CCOc1ccc2ccccc2c1CNC[C@@H](C)O	ZINC000045946103	362171899	/nfs/dbraw/zinc/17/18/99/362171899.db2.gz	PNEHQEOOLSFNQF-CYBMUJFWSA-N	0	3	269.344	2.322	10	30		CEEEHN
c1ccc(CCOCCN2CCC3(CO3)CC2)cc1	ZINC000147785680	344412850	/nfs/dbraw/zinc/41/28/50/344412850.db2.gz	XLRKIDWSRMRWJD-UHFFFAOYSA-N	0	3	261.365	2.111	10	30		CEEEHN
C=C[C@@H](CCOC)NCCOc1ccccc1OC	ZINC000584620596	344967149	/nfs/dbraw/zinc/96/71/49/344967149.db2.gz	WSLYYLGAZUBWAS-ZDUSSCGKSA-N	0	3	265.353	2.255	10	30		CEEEHN
COc1ccc(C#CCN)cc1CO[C@H](C)C(F)(F)F	ZINC000090673663	180021736	/nfs/dbraw/zinc/02/17/36/180021736.db2.gz	CJIACDGVQQMUTJ-SNVBAGLBSA-N	0	3	287.281	2.473	10	30		CEEEHN
C=CCNC(=O)N1CCCSC[C@H]1CN1CCCCC1	ZINC000090701799	180028137	/nfs/dbraw/zinc/02/81/37/180028137.db2.gz	SUASKTOXTLZNKQ-CQSZACIVSA-N	0	3	297.468	2.175	10	30		CEEEHN
NCC#Cc1cnccc1C(=O)Nc1cccc(Cl)c1	ZINC000091460957	180161410	/nfs/dbraw/zinc/16/14/10/180161410.db2.gz	FWIXMPSIRJPYQV-UHFFFAOYSA-N	0	3	285.734	2.298	10	30		CEEEHN
C[C@H]1CCCN(C(=O)Nc2ccc(C#CCN)c(F)c2)C1	ZINC000091992555	180300560	/nfs/dbraw/zinc/30/05/60/180300560.db2.gz	NJNQITIZSGJRJR-LBPRGKRZSA-N	0	3	289.354	2.400	10	30		CEEEHN
CSc1ccc(C(=O)Nc2cccc(C#CCN)n2)cc1	ZINC000092232666	180348989	/nfs/dbraw/zinc/34/89/89/180348989.db2.gz	NNZHMKRKIVIZCV-UHFFFAOYSA-N	0	3	297.383	2.366	10	30		CEEEHN
CCn1cnnc1C1CCN(CCCCC#N)CC1	ZINC000105928517	186092817	/nfs/dbraw/zinc/09/28/17/186092817.db2.gz	DEGVJLSBWSCPMJ-UHFFFAOYSA-N	0	3	261.373	2.171	10	30		CEEEHN
Cc1cc(NC(=O)c2ccc(C#CCN)s2)ccn1	ZINC000092365927	180369026	/nfs/dbraw/zinc/36/90/26/180369026.db2.gz	GVQXEJULZGHSDK-UHFFFAOYSA-N	0	3	271.345	2.014	10	30		CEEEHN
N#CCc1nc2ccccc2n1[C@H](CN)c1ccco1	ZINC000110951786	186336899	/nfs/dbraw/zinc/33/68/99/186336899.db2.gz	DZBYWJAAFDBZNN-CYBMUJFWSA-N	0	3	266.304	2.243	10	30		CEEEHN
CC[C@H]1CN(Cc2cc(C#N)ccc2F)CCN1C	ZINC000110718628	186315969	/nfs/dbraw/zinc/31/59/69/186315969.db2.gz	TXNIRLBMJIEISF-AWEZNQCLSA-N	0	3	261.344	2.223	10	30		CEEEHN
C=CCC[C@@H](CN1CCCOCC1)Oc1nccc(C)n1	ZINC000072477284	363137699	/nfs/dbraw/zinc/13/76/99/363137699.db2.gz	GWZLXTSMPXUPAJ-HNNXBMFYSA-N	0	3	291.395	2.221	10	30		CEEEHN
Cn1cc([C@H]2CCN(CCOc3cccc(C#N)c3)C2)cn1	ZINC000116311858	365050003	/nfs/dbraw/zinc/05/00/03/365050003.db2.gz	IOGNYUUUUOTQAD-HNNXBMFYSA-N	0	3	296.374	2.160	10	30		CEEEHN
Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N(C)C)C1	ZINC000178585345	368305708	/nfs/dbraw/zinc/30/57/08/368305708.db2.gz	QJLMEPILOXOUNE-ZDUSSCGKSA-N	0	3	272.352	2.035	10	30		CEEEHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C#N)cs1	ZINC000246093165	370908159	/nfs/dbraw/zinc/90/81/59/370908159.db2.gz	HHWDDTPNVMXVIA-STQMWFEESA-N	0	3	289.404	2.319	10	30		CEEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C#N)c2)C1	ZINC000246320992	370946972	/nfs/dbraw/zinc/94/69/72/370946972.db2.gz	WYBMFPNZUFNVBQ-IUODEOHRSA-N	0	3	286.379	2.408	10	30		CEEEHN
CCCCOC[C@H](O)CN(C)Cc1ccc(C#N)cc1	ZINC000193371049	369934303	/nfs/dbraw/zinc/93/43/03/369934303.db2.gz	KJRBGUFAICBEPY-MRXNPFEDSA-N	0	3	276.380	2.168	10	30		CEEEHN
C[C@H]1CNCCN1c1ccc(C#N)cc1Br	ZINC000261958816	394610484	/nfs/dbraw/zinc/61/04/84/394610484.db2.gz	MGNRFQOVFZYJFI-VIFPVBQESA-N	0	3	280.169	2.119	10	30		CEEEHN
CCN1CCC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1	ZINC000177895221	395158595	/nfs/dbraw/zinc/15/85/95/395158595.db2.gz	QQSHKXNGQDKNHW-CYBMUJFWSA-N	0	3	290.342	2.303	10	30		CEEEHN
C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(F)c(F)c1	ZINC000181638937	395220784	/nfs/dbraw/zinc/22/07/84/395220784.db2.gz	DBIYZMKJWQKLPT-NSHDSACASA-N	0	3	295.333	2.378	10	30		CEEEHN
N#Cc1ccc(CN2CCC[C@@H]2Cn2ccnc2)s1	ZINC000188398726	395314419	/nfs/dbraw/zinc/31/44/19/395314419.db2.gz	LVSLEDZVGCWQLP-GFCCVEGCSA-N	0	3	272.377	2.481	10	30		CEEEHN
N#Cc1ccnnc1N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000306757529	400336552	/nfs/dbraw/zinc/33/65/52/400336552.db2.gz	SOSIFSUNTCMUJR-OAHLLOKOSA-N	0	3	279.347	2.035	10	30		CEEEHN
CC(C)Oc1cccc([C@@H](C#N)NCCN(C)C)c1	ZINC000020176804	171042768	/nfs/dbraw/zinc/04/27/68/171042768.db2.gz	GMCPBIJHUOTXQD-OAHLLOKOSA-N	0	3	261.369	2.190	10	30		CEEEHN
COc1ccc2cc(C(C)=NNC(=N)N)ccc2c1	ZINC000038372548	174140700	/nfs/dbraw/zinc/14/07/00/174140700.db2.gz	LLCOGTWADJOWEM-MFOYZWKCSA-N	0	3	256.309	2.055	10	30		CEEEHN
CC(C)N[C@](C)(C#N)CCCCN1CCN(C(C)C)CC1	ZINC000045311519	175356176	/nfs/dbraw/zinc/35/61/76/175356176.db2.gz	KNTFWMJBNGIKQX-KRWDZBQOSA-N	0	3	294.487	2.463	10	30		CEEEHN
COCCNCc1ccc(OCC#N)c(C(F)(F)F)c1	ZINC000071398850	176151697	/nfs/dbraw/zinc/15/16/97/176151697.db2.gz	JZFPWWAPJREMCJ-UHFFFAOYSA-N	0	3	288.269	2.344	10	30		CEEEHN
Cc1ccncc1NC(=O)c1ccc(C#CCN)c(F)c1	ZINC000071414784	176160166	/nfs/dbraw/zinc/16/01/66/176160166.db2.gz	MSGIACFBNNZEEW-UHFFFAOYSA-N	0	3	283.306	2.092	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@@H](C)N1CCN(C(C)(C)C)CC1	ZINC000068613193	520128290	/nfs/dbraw/zinc/12/82/90/520128290.db2.gz	ARHCMDJGXNXRQV-GDBMZVCRSA-N	0	3	280.460	2.073	10	30		CEEEHN
C#CCOc1ccc([N+](=O)[O-])cc1CNCC(C)C	ZINC000062732073	518330999	/nfs/dbraw/zinc/33/09/99/518330999.db2.gz	QFRNCXRJLXBUOS-UHFFFAOYSA-N	0	3	262.309	2.352	10	30		CEEEHN
CC(C)CN(CCN(C)C)C(=O)[C@@H](C#N)c1ccccc1	ZINC000061615252	519715760	/nfs/dbraw/zinc/71/57/60/519715760.db2.gz	ITXKEFFKUUEPSK-INIZCTEOSA-N	0	3	287.407	2.340	10	30		CEEEHN
CCOC1CCN(Cc2cccc(C#CCCO)c2)CC1	ZINC000049613576	521657043	/nfs/dbraw/zinc/65/70/43/521657043.db2.gz	ZHWAYISFWUSVKU-UHFFFAOYSA-N	0	3	287.403	2.421	10	30		CEEEHN
CC[C@@H](C#N)Oc1cc(CNCCOC)ccc1OC	ZINC000062732651	521802357	/nfs/dbraw/zinc/80/23/57/521802357.db2.gz	GRFFADKJLLLJAM-ZDUSSCGKSA-N	0	3	278.352	2.112	10	30		CEEEHN
CN(CCc1ccccn1)Cc1ccc(C#CCO)cc1	ZINC000049617044	522965431	/nfs/dbraw/zinc/96/54/31/522965431.db2.gz	FFSNHHLRVMNEHI-UHFFFAOYSA-N	0	3	280.371	2.100	10	30		CEEEHN
CN(Cc1cccc(C#N)c1)[C@@H](CN)c1ccncc1	ZINC000061949627	523297252	/nfs/dbraw/zinc/29/72/52/523297252.db2.gz	FMSJMPJMOIWYFZ-INIZCTEOSA-N	0	3	266.348	2.085	10	30		CEEEHN
CN(Cc1cccnc1)Cc1cccc(C#CCN)c1	ZINC000049609286	523418259	/nfs/dbraw/zinc/41/82/59/523418259.db2.gz	QACFAPNFHICOSE-UHFFFAOYSA-N	0	3	265.360	2.024	10	30		CEEEHN
CC[C@](C)(C=O)CN1CCN(C2CCCC2)CC1	ZINC000052063697	523450157	/nfs/dbraw/zinc/45/01/57/523450157.db2.gz	HKFWURVUMGPJIF-HNNXBMFYSA-N	0	3	252.402	2.162	10	30		CEEEHN
CC[C@@H]1CO[C@H](C)CN1Cc1ccc(F)cc1C#CCN	ZINC000049609846	523518040	/nfs/dbraw/zinc/51/80/40/523518040.db2.gz	SHCOXBITNBIDJD-CXAGYDPISA-N	0	3	290.382	2.135	10	30		CEEEHN
CN([C@@H](C/C(N)=N/O)c1ccccc1)[C@@H]1CCSC1	ZINC000055020961	523623895	/nfs/dbraw/zinc/62/38/95/523623895.db2.gz	DZMGDRANJXYVOW-OLZOCXBDSA-N	0	3	279.409	2.302	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2cc(F)ccc2C#CCN)[C@H]1C	ZINC000050568530	524206893	/nfs/dbraw/zinc/20/68/93/524206893.db2.gz	GUJBQJRTMUZFEM-OLZOCXBDSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@H](NC(=O)NC(C)(C)C)c1cccc(C#CCN)c1	ZINC000049587461	525049722	/nfs/dbraw/zinc/04/97/22/525049722.db2.gz	SAWWPKUJQUCQNM-LBPRGKRZSA-N	0	3	273.380	2.156	10	30		CEEEHN
C[C@H](NC(=O)c1ccco1)c1ccc(C#CCN)cc1	ZINC000049586730	525246023	/nfs/dbraw/zinc/24/60/23/525246023.db2.gz	HDRQLIDRMOTFQY-LBPRGKRZSA-N	0	3	268.316	2.081	10	30		CEEEHN
C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#CCN)s1	ZINC000050568541	525636710	/nfs/dbraw/zinc/63/67/10/525636710.db2.gz	LLLUGCBHFRYQJR-NWDGAFQWSA-N	0	3	276.405	2.319	10	30		CEEEHN
C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(F)ccc1C#CCN	ZINC000050568529	525637446	/nfs/dbraw/zinc/63/74/46/525637446.db2.gz	GUJBQJRTMUZFEM-QWHCGFSZSA-N	0	3	288.366	2.397	10	30		CEEEHN
Cn1cc(SCc2ccccc2C#CCN)cn1	ZINC000049612934	527291715	/nfs/dbraw/zinc/29/17/15/527291715.db2.gz	QUEUTJLAIVQKEP-UHFFFAOYSA-N	0	3	257.362	2.023	10	30		CEEEHN
Cn1cc([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)cn1	ZINC000121144574	365528264	/nfs/dbraw/zinc/52/82/64/365528264.db2.gz	MDJQNOKCZKUEPG-CYBMUJFWSA-N	0	3	284.338	2.420	10	30		CEEEHN
C[C@@H](N)C#Cc1c[nH]c2cncc(Br)c12	ZINC000725245752	539191635	/nfs/dbraw/zinc/19/16/35/539191635.db2.gz	LVCXVBFZUBFDSY-SSDOTTSWSA-N	0	3	264.126	2.024	10	30		CEEEHN
COC[C@H](C)N(C)[C@@H](C)C[C@](C)(C#N)NC(C)C	ZINC000084293303	178845145	/nfs/dbraw/zinc/84/51/45/178845145.db2.gz	NSKZVBFUMHXWRP-MELADBBJSA-N	0	3	255.406	2.012	10	30		CEEEHN
CN(C)CCN[C@]1(C#N)CCC[C@H](C(F)(F)F)C1	ZINC000085130529	178953071	/nfs/dbraw/zinc/95/30/71/178953071.db2.gz	ZEKZGJLGASXHER-WDEREUQCSA-N	0	3	263.307	2.152	10	30		CEEEHN
C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CCN)s2)[C@@H]1C	ZINC000086081158	179227387	/nfs/dbraw/zinc/22/73/87/179227387.db2.gz	MOSXLJYNVCAXKW-WZRBSPASSA-N	0	3	276.405	2.223	10	30		CEEEHN
C#CCN1C[C@](C)(c2ccccc2)NC[C@@H]1C(C)C	ZINC000086222881	179250772	/nfs/dbraw/zinc/25/07/72/179250772.db2.gz	WQKLJSDOSNPORT-IAGOWNOFSA-N	0	3	256.393	2.465	10	30		CEEEHN
CC[C@@H]1CN(C(=O)C#Cc2ccccc2)[C@@H](CC)CN1	ZINC000086447907	179295452	/nfs/dbraw/zinc/29/54/52/179295452.db2.gz	JCYPNOORVQDPLH-CVEARBPZSA-N	0	3	270.376	2.027	10	30		CEEEHN
C=C(C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1	ZINC000616571168	348524228	/nfs/dbraw/zinc/52/42/28/348524228.db2.gz	POMMKOQCJPUGBQ-ZIAGYGMSSA-N	0	3	262.328	2.045	10	30		CEEEHN
C=CCSc1ccccc1NC(=O)[C@]1(C)COC[C@H]1N	ZINC000090589696	180010495	/nfs/dbraw/zinc/01/04/95/180010495.db2.gz	AEMNADLUUQSHEZ-UKRRQHHQSA-N	0	3	292.404	2.267	10	30		CEEEHN
Cc1cc(CNC(=O)c2ccncc2C#CCN)sc1C	ZINC000091463631	180162087	/nfs/dbraw/zinc/16/20/87/180162087.db2.gz	QELREEBUZKYJSR-UHFFFAOYSA-N	0	3	299.399	2.000	10	30		CEEEHN
CN1CCC(O)([C@]2(C#N)CCCc3ccccc32)CC1	ZINC000091878279	180278606	/nfs/dbraw/zinc/27/86/06/180278606.db2.gz	RKJLYVLHIAWRDP-INIZCTEOSA-N	0	3	270.376	2.241	10	30		CEEEHN
C=CCNCC(=O)N1CCc2sccc2[C@@H]1C1CC1	ZINC000092474576	180394169	/nfs/dbraw/zinc/39/41/69/180394169.db2.gz	CADMENJQGKFUPH-HNNXBMFYSA-N	0	3	276.405	2.360	10	30		CEEEHN
C=CCNCC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21	ZINC000092474301	180394239	/nfs/dbraw/zinc/39/42/39/180394239.db2.gz	LQMJBQQWRRCGMZ-ZDUSSCGKSA-N	0	3	276.380	2.493	10	30		CEEEHN
CCCCCCCN1CCN([C@H](C)C(N)=S)CC1	ZINC000110444307	186296543	/nfs/dbraw/zinc/29/65/43/186296543.db2.gz	DRNPNDMLASEGMW-CYBMUJFWSA-N	0	3	271.474	2.249	10	30		CEEEHN
CC[C@@H]1CN(Cc2cc(C#CCCO)cs2)CCN1C	ZINC000110734561	186317390	/nfs/dbraw/zinc/31/73/90/186317390.db2.gz	LDLDGTMLQDWUJR-OAHLLOKOSA-N	0	3	292.448	2.008	10	30		CEEEHN
CN(Cc1cc(C#CCCO)cs1)C[C@H]1CCCOC1	ZINC000111168247	186363474	/nfs/dbraw/zinc/36/34/74/186363474.db2.gz	KEDMBAYUXCVQFH-OAHLLOKOSA-N	0	3	293.432	2.340	10	30		CEEEHN
N#Cc1cccc(CN[C@@H]2CCCN(c3cccnn3)C2)c1	ZINC000105802071	364703267	/nfs/dbraw/zinc/70/32/67/364703267.db2.gz	LHSIWEHZRJHVMM-MRXNPFEDSA-N	0	3	293.374	2.107	10	30		CEEEHN
C=CC1CCN(C(=O)N[C@H]2CCCN(CC)C2)CC1	ZINC000111836739	364764605	/nfs/dbraw/zinc/76/46/05/364764605.db2.gz	HCJQYYXBLRHXOC-AWEZNQCLSA-N	0	3	265.401	2.078	10	30		CEEEHN
N#Cc1ccc(CN2CCN3CCCC[C@H]3C2)s1	ZINC000245557472	370839879	/nfs/dbraw/zinc/83/98/79/370839879.db2.gz	JZTCENSHUJGJHK-LBPRGKRZSA-N	0	3	261.394	2.290	10	30		CEEEHN
Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000178585355	368306157	/nfs/dbraw/zinc/30/61/57/368306157.db2.gz	QJLMEPILOXOUNE-CYBMUJFWSA-N	0	3	272.352	2.035	10	30		CEEEHN
N#Cc1ccc(CN[C@@H]2CCCC[C@H]2CO)c(F)c1	ZINC000227597810	370374637	/nfs/dbraw/zinc/37/46/37/370374637.db2.gz	RIJSKROUPSWSGS-DZGCQCFKSA-N	0	3	262.328	2.338	10	30		CEEEHN
COCCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000118398111	285050697	/nfs/dbraw/zinc/05/06/97/285050697.db2.gz	KZKMOFUFYPZCNE-GJZGRUSLSA-N	0	3	287.407	2.272	10	30		CEEEHN
C[C@H]1CCC[C@](N)(C(=O)Nc2cccc(C#N)c2)C1	ZINC000080906092	177725141	/nfs/dbraw/zinc/72/51/41/177725141.db2.gz	KAVQTKGTGMGRGA-XHDPSFHLSA-N	0	3	257.337	2.404	10	30		CEEEHN
CCN[C@@H](C)c1cc(F)ccc1N1CCO[C@H](C#N)C1	ZINC000093932624	135082636	/nfs/dbraw/zinc/08/26/36/135082636.db2.gz	IHQXVYBYWZHCSC-WCQYABFASA-N	0	3	277.343	2.225	10	30		CEEEHN
CCN[C@@H](C)c1c(F)cccc1N1CCO[C@H](C#N)C1	ZINC000093932561	135082781	/nfs/dbraw/zinc/08/27/81/135082781.db2.gz	IOVJANDIPLGOHE-NWDGAFQWSA-N	0	3	277.343	2.225	10	30		CEEEHN
C=CCNC(=O)[C@@H](C)N[C@@H](C)COc1ccc(C)cc1	ZINC000040499953	174296640	/nfs/dbraw/zinc/29/66/40/174296640.db2.gz	VSXRZLYITQARHV-UONOGXRCSA-N	0	3	276.380	2.043	10	30		CEEEHN
CCC[C@H](C#N)C(=O)N[C@@H](CC(C)C)CN(C)C	ZINC000044825883	175259419	/nfs/dbraw/zinc/25/94/19/175259419.db2.gz	VUPUXEZIGFCQSA-OLZOCXBDSA-N	0	3	253.390	2.019	10	30		CEEEHN
COCCN(C(=O)C(C#N)Cc1ccccc1)C1CC1	ZINC000044824825	175259515	/nfs/dbraw/zinc/25/95/15/175259515.db2.gz	GXHPJWIPPQLQPI-CQSZACIVSA-N	0	3	272.348	2.006	10	30		CEEEHN
CCO[C@H]1CCCN(CC[C@@](C)(C#N)NC(C)C)C1	ZINC000045183352	175326140	/nfs/dbraw/zinc/32/61/40/175326140.db2.gz	ZBICALRVMGMYNB-GJZGRUSLSA-N	0	3	267.417	2.158	10	30		CEEEHN
Cc1ccc2c(c1)C(C#N)N(CCCn1ccnc1)C2=O	ZINC000071678079	176243091	/nfs/dbraw/zinc/24/30/91/176243091.db2.gz	XXRIKSUGHRMAKE-OAHLLOKOSA-N	0	3	280.331	2.302	10	30		CEEEHN
Cc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)o1	ZINC000182582400	261944669	/nfs/dbraw/zinc/94/46/69/261944669.db2.gz	BGLHAONKGTTWME-LBPRGKRZSA-N	0	3	263.341	2.001	10	30		CEEEHN
C=CCN1C[C@@H](N)c2cc(Br)ccc21	ZINC000019795863	275429409	/nfs/dbraw/zinc/42/94/09/275429409.db2.gz	UYIMTZSEPHRKSG-SNVBAGLBSA-N	0	3	253.143	2.455	10	30		CEEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc(F)c2C#N)C1	ZINC000249292372	280391812	/nfs/dbraw/zinc/39/18/12/280391812.db2.gz	WQXFPBPYMNEYGT-XHDPSFHLSA-N	0	3	289.354	2.156	10	30		CEEEHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)c(F)c1	ZINC000424068342	330219564	/nfs/dbraw/zinc/21/95/64/330219564.db2.gz	ROEXSTPLMQHUDU-TVQRCGJNSA-N	0	3	281.306	2.163	10	30		CEEEHN
CC[C@@H]1CN(CCCC(C)(C)C#N)CCN1C[C@H](C)O	ZINC000245410120	334190934	/nfs/dbraw/zinc/19/09/34/334190934.db2.gz	PMEGMHXSKFXABT-LSDHHAIUSA-N	0	3	281.444	2.093	10	30		CEEEHN
CCC[C@@H](C)C(=O)NCc1ccccc1C#CCN	ZINC000049586372	520614066	/nfs/dbraw/zinc/61/40/66/520614066.db2.gz	NKUFQWHTVNBXLX-CYBMUJFWSA-N	0	3	258.365	2.049	10	30		CEEEHN
C#CCNCCOc1ccc(Br)cc1F	ZINC000053586202	518287081	/nfs/dbraw/zinc/28/70/81/518287081.db2.gz	WSYKWTUVTOYDCA-UHFFFAOYSA-N	0	3	272.117	2.190	10	30		CEEEHN
C#CCOc1ccc(CNCCOC)cc1Br	ZINC000062728233	518325767	/nfs/dbraw/zinc/32/57/67/518325767.db2.gz	FVOZHWULPUKDBF-UHFFFAOYSA-N	0	3	298.180	2.197	10	30		CEEEHN
C#Cc1cccc(NC(=O)[C@@H](CN)c2ccccc2)c1	ZINC000061610990	518364901	/nfs/dbraw/zinc/36/49/01/518364901.db2.gz	CQPVEEURZJFURT-INIZCTEOSA-N	0	3	264.328	2.349	10	30		CEEEHN
CC(C)[C@@H](C)C(=O)N(C)Cc1cc(C#CCN)cs1	ZINC000070125996	519789820	/nfs/dbraw/zinc/78/98/20/519789820.db2.gz	LHHFPUBZVYHCFC-GFCCVEGCSA-N	0	3	278.421	2.309	10	30		CEEEHN
CCN[C@@](C)(C#N)C[C@@H](C)N1CCN(C2CCCC2)CC1	ZINC000068614876	520127775	/nfs/dbraw/zinc/12/77/75/520127775.db2.gz	MWDNEQYUPAUWPX-NVXWUHKLSA-N	0	3	292.471	2.217	10	30		CEEEHN
CCC(CC)C(=O)N(C)Cc1ccc(C#CCN)cc1	ZINC000049586620	521484144	/nfs/dbraw/zinc/48/41/44/521484144.db2.gz	RORWVABNQXUNBB-UHFFFAOYSA-N	0	3	272.392	2.391	10	30		CEEEHN
CCOC1CCN(Cc2ccc(C#CCN)cc2F)CC1	ZINC000049609443	521656886	/nfs/dbraw/zinc/65/68/86/521656886.db2.gz	AJIZJFOHAMZPNC-UHFFFAOYSA-N	0	3	290.382	2.137	10	30		CEEEHN
CNC(C)(C)C(=O)Nc1ccc(C#N)cc1Br	ZINC000061316201	521940917	/nfs/dbraw/zinc/94/09/17/521940917.db2.gz	CTIYKQXYZWRSGV-UHFFFAOYSA-N	0	3	296.168	2.257	10	30		CEEEHN
CC[C@H](NC(=O)c1ccc(C#CCN)cc1)C(C)C	ZINC000049148545	522529338	/nfs/dbraw/zinc/52/93/38/522529338.db2.gz	VMLVCCFQERBYTJ-HNNXBMFYSA-N	0	3	258.365	2.161	10	30		CEEEHN
COc1ccc(C#CCN)cc1NC(=O)c1ccoc1C	ZINC000049587378	523517371	/nfs/dbraw/zinc/51/73/71/523517371.db2.gz	QTJAHWWZWZUEED-UHFFFAOYSA-N	0	3	284.315	2.159	10	30		CEEEHN
COCCN(C)CCNc1c(C#N)cnc2ccccc21	ZINC000061379665	523614332	/nfs/dbraw/zinc/61/43/32/523614332.db2.gz	XTEKDHUBEITYPT-UHFFFAOYSA-N	0	3	284.363	2.097	10	30		CEEEHN
C[C@@H]1CCCN(C(=O)c2ccc(C#CCN)c(F)c2)[C@H]1C	ZINC000050568550	524208866	/nfs/dbraw/zinc/20/88/66/524208866.db2.gz	VIRNBYHYEFTCST-OLZOCXBDSA-N	0	3	288.366	2.397	10	30		CEEEHN
C[C@@H]1CCCN(Cc2ccc(C#CCO)cc2F)C1	ZINC000049616065	524233669	/nfs/dbraw/zinc/23/36/69/524233669.db2.gz	GVLRAIMDWXATCD-CYBMUJFWSA-N	0	3	261.340	2.401	10	30		CEEEHN
C[C@@H](N)c1cc(Br)ccc1OCC#N	ZINC000052066581	525025348	/nfs/dbraw/zinc/02/53/48/525025348.db2.gz	SAAGFKOFRHCTMF-SSDOTTSWSA-N	0	3	255.115	2.371	10	30		CEEEHN
Cc1ccc(OCc2ccnc(C#N)c2)c(C#CCN)c1	ZINC000068758978	525444572	/nfs/dbraw/zinc/44/45/72/525444572.db2.gz	SPCNSEIQGQVAIS-UHFFFAOYSA-N	0	3	277.327	2.151	10	30		CEEEHN
Cc1cnc(SCc2ccc(C#CCN)cc2)nc1	ZINC000049612953	526102281	/nfs/dbraw/zinc/10/22/81/526102281.db2.gz	HZQTYLFCNQEYEX-UHFFFAOYSA-N	0	3	269.373	2.388	10	30		CEEEHN
Cc1cc(C#CCN)ccc1OCc1ccnc(C#N)c1	ZINC000068758992	526177772	/nfs/dbraw/zinc/17/77/72/526177772.db2.gz	BEVVSPIQPIWZBR-UHFFFAOYSA-N	0	3	277.327	2.151	10	30		CEEEHN
N#CC(C(=O)[C@@H]1CCOC1)c1cc(F)cc(F)c1	ZINC000049350504	526493270	/nfs/dbraw/zinc/49/32/70/526493270.db2.gz	LJBHLDMXDRQJJU-PRHODGIISA-N	0	3	251.232	2.178	10	30		CEEEHN
Cc1nc(NC(=O)c2ccc(C#CCN)s2)sc1C	ZINC000049105930	526992217	/nfs/dbraw/zinc/99/22/17/526992217.db2.gz	YJFYFKFKFQQEGI-UHFFFAOYSA-N	0	3	291.401	2.384	10	30		CEEEHN
NCC#Cc1cc(COCc2ccco2)ccc1F	ZINC000049610368	527146809	/nfs/dbraw/zinc/14/68/09/527146809.db2.gz	GRUWRLITZLICAG-UHFFFAOYSA-N	0	3	259.280	2.446	10	30		CEEEHN
NCC#Cc1cc(F)ccc1CSc1nncs1	ZINC000049611426	527148045	/nfs/dbraw/zinc/14/80/45/527148045.db2.gz	UKVPUAINXRRICH-UHFFFAOYSA-N	0	3	279.365	2.280	10	30		CEEEHN
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCCC#N	ZINC000089147985	640090537	/nfs/dbraw/zinc/09/05/37/640090537.db2.gz	QCRQHVYBQYANRS-NEPJUHHUSA-N	0	3	267.373	2.183	10	30		CEEEHN