smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c(Nc3ccccc3C#N)cc[nH+]c12	ZINC000041055155	174464911	/nfs/dbraw/zinc/46/49/11/174464911.db2.gz	DKTKUEOZCSQGME-UHFFFAOYSA-N	1	1	259.312	4.159	10	30		CIEEMO
C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)s1	ZINC000042269288	328763856	/nfs/dbraw/zinc/76/38/56/328763856.db2.gz	CNSOLIUBJAZKQV-JTQLQIEISA-N	1	1	276.792	4.124	10	30		CIEEMO
C=CCCCCC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1	ZINC000193324468	333247715	/nfs/dbraw/zinc/24/77/15/333247715.db2.gz	JEBDDLVBADYZJP-AWEZNQCLSA-N	1	1	277.412	4.076	10	30		CIEEMO
C=CCCCCC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1	ZINC000193324468	333247716	/nfs/dbraw/zinc/24/77/16/333247716.db2.gz	JEBDDLVBADYZJP-AWEZNQCLSA-N	1	1	277.412	4.076	10	30		CIEEMO
Cc1ccsc1C=NNc1cc(C)[nH+]c2ccccc12	ZINC000041127770	174490238	/nfs/dbraw/zinc/49/02/38/174490238.db2.gz	XQVOYQRGVCOBOC-LICLKQGHSA-N	1	1	281.384	4.359	10	30		CIEEMO
Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccco2)cc1	ZINC000177188140	329180467	/nfs/dbraw/zinc/18/04/67/329180467.db2.gz	DHSBCFLOHVCKRP-MRXNPFEDSA-N	1	1	285.774	4.122	10	30		CIEEMO
Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccco2)cc1	ZINC000177188140	329180468	/nfs/dbraw/zinc/18/04/68/329180468.db2.gz	DHSBCFLOHVCKRP-MRXNPFEDSA-N	1	1	285.774	4.122	10	30		CIEEMO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1	ZINC000061891528	333475053	/nfs/dbraw/zinc/47/50/53/333475053.db2.gz	BXKAIYQHTMGDEF-PXWWUCIGSA-N	1	1	283.202	4.336	10	30		CIEEMO
C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1Cl	ZINC000054826910	525675248	/nfs/dbraw/zinc/67/52/48/525675248.db2.gz	KSFKTLNSUFQGHM-JMSVASOKSA-N	1	1	262.784	4.073	10	30		CIEEMO
N#CC[C@@H]([NH2+]CCC1=CCCCC1)c1ccccc1	ZINC000055019191	526479986	/nfs/dbraw/zinc/47/99/86/526479986.db2.gz	ZTPMTEGSJZRRIC-QGZVFWFLSA-N	1	1	254.377	4.121	10	30		CIEEMO
Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N	ZINC000187401912	333170324	/nfs/dbraw/zinc/17/03/24/333170324.db2.gz	HTXDHDODIDHOQH-CYBMUJFWSA-N	1	1	284.790	4.371	10	30		CIEEMO
C=CCCCCC[N@H+]1CCCC[C@H]1c1nccs1	ZINC000193324573	333247875	/nfs/dbraw/zinc/24/78/75/333247875.db2.gz	USKXFXGBXSHUDI-AWEZNQCLSA-N	1	1	264.438	4.417	10	30		CIEEMO
C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1	ZINC000135125061	334116832	/nfs/dbraw/zinc/11/68/32/334116832.db2.gz	XGYWFGZNGYMGQA-VIFPVBQESA-N	1	1	295.169	4.309	10	30		CIEEMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1c1ccco1	ZINC000135235680	334120566	/nfs/dbraw/zinc/12/05/66/334120566.db2.gz	QJQAFRDYRJUGIF-QGZVFWFLSA-N	1	1	294.398	4.418	10	30		CIEEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(Cl)c(Cl)c1	ZINC000251233748	334358627	/nfs/dbraw/zinc/35/86/27/334358627.db2.gz	BXKAIYQHTMGDEF-NURSFMCSSA-N	1	1	283.202	4.336	10	30		CIEEMO
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@H+]1CC1CCOCC1	ZINC000055361009	519109502	/nfs/dbraw/zinc/10/95/02/519109502.db2.gz	VSKBGSDQJPPGFD-UXHICEINSA-N	1	1	297.442	4.361	10	30		CIEEMO
CC[C@H](CC#N)[NH2+][C@H]1CCSc2ccc(Cl)cc21	ZINC000054183752	522089271	/nfs/dbraw/zinc/08/92/71/522089271.db2.gz	YAYRPPFLLFVOBD-YPMHNXCESA-N	1	1	280.824	4.159	10	30		CIEEMO
C=C(C)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1	ZINC000127706203	264263650	/nfs/dbraw/zinc/26/36/50/264263650.db2.gz	XRDMJTVUOCXYKP-CYBMUJFWSA-N	1	1	264.438	4.022	10	30		CIEEMO
Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccco2)cc1	ZINC000177188127	329180736	/nfs/dbraw/zinc/18/07/36/329180736.db2.gz	DHSBCFLOHVCKRP-INIZCTEOSA-N	1	1	285.774	4.122	10	30		CIEEMO
Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccco2)cc1	ZINC000177188127	329180737	/nfs/dbraw/zinc/18/07/37/329180737.db2.gz	DHSBCFLOHVCKRP-INIZCTEOSA-N	1	1	285.774	4.122	10	30		CIEEMO
N#C[C@H]1CCC[C@H]1[NH2+]C(c1ccccc1)c1ccccc1	ZINC000054824805	330242356	/nfs/dbraw/zinc/24/23/56/330242356.db2.gz	UKGVCEZQROMCLG-QZTJIDSGSA-N	1	1	276.383	4.058	10	30		CIEEMO
CCCCCCCC[N@H+]1C[C@@H](CC)NC[C@@H]1C(C)C	ZINC000106169284	186104362	/nfs/dbraw/zinc/10/43/62/186104362.db2.gz	VSJMHHGJIZAQCZ-IAGOWNOFSA-N	1	1	268.489	4.055	10	30		CIEEMO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1	ZINC000061891068	333474788	/nfs/dbraw/zinc/47/47/88/333474788.db2.gz	IKEBWBDFCAWJLV-MOPGFXCFSA-N	1	1	276.383	4.135	10	30		CIEEMO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1Cl	ZINC000054826909	525604667	/nfs/dbraw/zinc/60/46/67/525604667.db2.gz	KSFKTLNSUFQGHM-ZOWXZIJZSA-N	1	1	262.784	4.073	10	30		CIEEMO
N#C[C@@H]1CCC[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1	ZINC000054824808	330242320	/nfs/dbraw/zinc/24/23/20/330242320.db2.gz	UKGVCEZQROMCLG-ROUUACIJSA-N	1	1	276.383	4.058	10	30		CIEEMO
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1Cl	ZINC000054826907	525632718	/nfs/dbraw/zinc/63/27/18/525632718.db2.gz	KSFKTLNSUFQGHM-LALPHHSUSA-N	1	1	262.784	4.073	10	30		CIEEMO
C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)s1	ZINC000042269291	328764092	/nfs/dbraw/zinc/76/40/92/328764092.db2.gz	CNSOLIUBJAZKQV-SNVBAGLBSA-N	1	1	276.792	4.124	10	30		CIEEMO
CCc1ccc([C@H]2CCCC[N@H+]2CCCSCC#N)o1	ZINC000173899103	329153466	/nfs/dbraw/zinc/15/34/66/329153466.db2.gz	STUKXVHDPORORQ-OAHLLOKOSA-N	1	1	292.448	4.016	10	30		CIEEMO
C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ccco1	ZINC000189892011	329388148	/nfs/dbraw/zinc/38/81/48/329388148.db2.gz	VIWJXAYAVJJGAJ-XJKSGUPXSA-N	1	1	266.344	4.049	10	30		CIEEMO
C=CCCCCC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1	ZINC000193324483	333247708	/nfs/dbraw/zinc/24/77/08/333247708.db2.gz	JEBDDLVBADYZJP-CQSZACIVSA-N	1	1	277.412	4.076	10	30		CIEEMO
C=CCCCCC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1	ZINC000193324483	333247709	/nfs/dbraw/zinc/24/77/09/333247709.db2.gz	JEBDDLVBADYZJP-CQSZACIVSA-N	1	1	277.412	4.076	10	30		CIEEMO
C=CCCCCC[N@H+]1CCCC[C@@H]1c1nccs1	ZINC000193324560	333247724	/nfs/dbraw/zinc/24/77/24/333247724.db2.gz	USKXFXGBXSHUDI-CQSZACIVSA-N	1	1	264.438	4.417	10	30		CIEEMO
N#C[C@@H]1CCC[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21	ZINC000061891325	333474908	/nfs/dbraw/zinc/47/49/08/333474908.db2.gz	GUGCMJLJEADCKN-UGSOOPFHSA-N	1	1	274.367	4.038	10	30		CIEEMO
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1	ZINC000061891526	333475021	/nfs/dbraw/zinc/47/50/21/333475021.db2.gz	BXKAIYQHTMGDEF-DRCTWCGVSA-N	1	1	283.202	4.336	10	30		CIEEMO
CCCCCCC[C@](C)(CN)[N@@H+](C)[C@@H](C)C(C)C	ZINC000059338860	520067776	/nfs/dbraw/zinc/06/77/76/520067776.db2.gz	WFRMBOYPBQZBIY-JKSUJKDBSA-N	1	1	256.478	4.041	10	30		CIEEMO
CCC(CC)C[N@@H+](CC)[C@@H](CC#N)c1ccccc1	ZINC000055020385	521523808	/nfs/dbraw/zinc/52/38/08/521523808.db2.gz	DSYUJVQVCMSNKD-KRWDZBQOSA-N	1	1	258.409	4.399	10	30		CIEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]C(c1ccccc1)c1ccccc1	ZINC000054824807	330242367	/nfs/dbraw/zinc/24/23/67/330242367.db2.gz	UKGVCEZQROMCLG-ZWKOTPCHSA-N	1	1	276.383	4.058	10	30		CIEEMO
Clc1cccc(C#CC[N@@H+]2CCC[C@H]2c2ccco2)c1	ZINC000120218435	330386378	/nfs/dbraw/zinc/38/63/78/330386378.db2.gz	JQULVVRUJXIOHF-INIZCTEOSA-N	1	1	285.774	4.122	10	30		CIEEMO
Clc1cccc(C#CC[N@H+]2CCC[C@H]2c2ccco2)c1	ZINC000120218435	330386379	/nfs/dbraw/zinc/38/63/79/330386379.db2.gz	JQULVVRUJXIOHF-INIZCTEOSA-N	1	1	285.774	4.122	10	30		CIEEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(C(F)(F)F)cc1	ZINC000252440532	334379928	/nfs/dbraw/zinc/37/99/28/334379928.db2.gz	RVXBUEQWRKZVPW-VHRBIJSZSA-N	1	1	282.309	4.048	10	30		CIEEMO
C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](CC#N)c1ccccc1	ZINC000055020598	526261380	/nfs/dbraw/zinc/26/13/80/526261380.db2.gz	OSQISLHGFZRTNF-UAGQMJEPSA-N	1	1	256.393	4.152	10	30		CIEEMO
Cc1[nH+]cn([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1C	ZINC000051926989	527462855	/nfs/dbraw/zinc/46/28/55/527462855.db2.gz	UGJCEXMSWSCMSS-RBSFLKMASA-N	1	1	259.397	4.027	10	30		CIEEMO
CC1=Nc2ccccc2C1=[NH+]Nc1ccc(C)cc1C	ZINC000005603563	170118598	/nfs/dbraw/zinc/11/85/98/170118598.db2.gz	UXSCTQXLWITMCW-LVZFUZTISA-N	1	1	263.344	4.226	10	30		CIEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1	ZINC000061891069	333474775	/nfs/dbraw/zinc/47/47/75/333474775.db2.gz	IKEBWBDFCAWJLV-RBUKOAKNSA-N	1	1	276.383	4.135	10	30		CIEEMO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(C(F)(F)F)cc1	ZINC000061891536	333474952	/nfs/dbraw/zinc/47/49/52/333474952.db2.gz	RVXBUEQWRKZVPW-SUHUHFCYSA-N	1	1	282.309	4.048	10	30		CIEEMO
C[N@@H+]([C@@H](CC#N)c1ccccc1)C1CCCCCC1	ZINC000055020216	523622382	/nfs/dbraw/zinc/62/23/82/523622382.db2.gz	UTSBVOXDDVCHJQ-KRWDZBQOSA-N	1	1	256.393	4.296	10	30		CIEEMO
C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CC#N)c1ccccc1	ZINC000055020592	524130996	/nfs/dbraw/zinc/13/09/96/524130996.db2.gz	OSQISLHGFZRTNF-PVAVHDDUSA-N	1	1	256.393	4.152	10	30		CIEEMO
CCN(CC)c1ccc(C=[NH+]Nc2ccc(F)cc2)cc1	ZINC000006368549	170195640	/nfs/dbraw/zinc/19/56/40/170195640.db2.gz	PCOCYAMOHYBHDF-CPNJWEJPSA-N	1	1	285.366	4.118	10	30		CIEEMO
Clc1cccc(C#CC[N@@H+]2CCC[C@@H]2c2ccco2)c1	ZINC000120218257	330386339	/nfs/dbraw/zinc/38/63/39/330386339.db2.gz	JQULVVRUJXIOHF-MRXNPFEDSA-N	1	1	285.774	4.122	10	30		CIEEMO
Clc1cccc(C#CC[N@H+]2CCC[C@@H]2c2ccco2)c1	ZINC000120218257	330386340	/nfs/dbraw/zinc/38/63/40/330386340.db2.gz	JQULVVRUJXIOHF-MRXNPFEDSA-N	1	1	285.774	4.122	10	30		CIEEMO
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(C(F)(F)F)cc1	ZINC000061891534	333475023	/nfs/dbraw/zinc/47/50/23/333475023.db2.gz	RVXBUEQWRKZVPW-ZKYQVNSYSA-N	1	1	282.309	4.048	10	30		CIEEMO
C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H](CC#N)c1ccccc1	ZINC000055020595	524162851	/nfs/dbraw/zinc/16/28/51/524162851.db2.gz	OSQISLHGFZRTNF-OIISXLGYSA-N	1	1	256.393	4.152	10	30		CIEEMO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1Cl	ZINC000054826905	525553704	/nfs/dbraw/zinc/55/37/04/525553704.db2.gz	KSFKTLNSUFQGHM-YWPYICTPSA-N	1	1	262.784	4.073	10	30		CIEEMO
C[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000100398695	567913118	/nfs/dbraw/zinc/91/31/18/567913118.db2.gz	WRZFUOOSXMQGBT-FMTKACEISA-N	1	1	294.398	4.271	10	30		CIEEMO
N#C[C@H]1CCC[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1	ZINC000054824806	330242370	/nfs/dbraw/zinc/24/23/70/330242370.db2.gz	UKGVCEZQROMCLG-MSOLQXFVSA-N	1	1	276.383	4.058	10	30		CIEEMO
C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccs1	ZINC000187493606	333171822	/nfs/dbraw/zinc/17/18/22/333171822.db2.gz	HGNACDFFRAURDV-JTQLQIEISA-N	1	1	276.792	4.124	10	30		CIEEMO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1	ZINC000061891067	333474772	/nfs/dbraw/zinc/47/47/72/333474772.db2.gz	IKEBWBDFCAWJLV-RTBURBONSA-N	1	1	276.383	4.135	10	30		CIEEMO
C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1	ZINC000135125079	334116734	/nfs/dbraw/zinc/11/67/34/334116734.db2.gz	XGYWFGZNGYMGQA-SECBINFHSA-N	1	1	295.169	4.309	10	30		CIEEMO
CCC(CC)C[N@@H+](CC)[C@H](CC#N)c1ccccc1	ZINC000055020387	521524153	/nfs/dbraw/zinc/52/41/53/521524153.db2.gz	DSYUJVQVCMSNKD-QGZVFWFLSA-N	1	1	258.409	4.399	10	30		CIEEMO
C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1	ZINC000103138896	328766261	/nfs/dbraw/zinc/76/62/61/328766261.db2.gz	OHOCWXAQUMAWSF-LLVKDONJSA-N	1	1	288.753	4.202	10	30		CIEEMO
CCc1ccc([C@@H]2CCCC[N@H+]2CCCSCC#N)o1	ZINC000173899090	329153358	/nfs/dbraw/zinc/15/33/58/329153358.db2.gz	STUKXVHDPORORQ-HNNXBMFYSA-N	1	1	292.448	4.016	10	30		CIEEMO
C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CC#N)c1ccccc1	ZINC000055020593	526255696	/nfs/dbraw/zinc/25/56/96/526255696.db2.gz	OSQISLHGFZRTNF-XIRDDKMYSA-N	1	1	256.393	4.152	10	30		CIEEMO
CCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	ZINC000038157511	174134593	/nfs/dbraw/zinc/13/45/93/174134593.db2.gz	SWMTWUJSWRKEHH-SFHVURJKSA-N	1	1	275.460	4.101	10	30		CIEEMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ccco1	ZINC000118400159	267251258	/nfs/dbraw/zinc/25/12/58/267251258.db2.gz	DBZMAIGWTAOJCE-CZUORRHYSA-N	1	1	266.344	4.049	10	30		CIEEMO
C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ccco1	ZINC000189892028	329388077	/nfs/dbraw/zinc/38/80/77/329388077.db2.gz	VIWJXAYAVJJGAJ-CZUORRHYSA-N	1	1	266.344	4.049	10	30		CIEEMO
N#CC[C@H]([NH2+]CCC1=CCCCC1)c1ccccc1	ZINC000055019192	526480000	/nfs/dbraw/zinc/48/00/00/526480000.db2.gz	ZTPMTEGSJZRRIC-KRWDZBQOSA-N	1	1	254.377	4.121	10	30		CIEEMO
C[C@H]1/C(=N\O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000105416730	186057397	/nfs/dbraw/zinc/05/73/97/186057397.db2.gz	WRZFUOOSXMQGBT-JFQOVSOXSA-N	1	1	294.398	4.271	10	30		CIEEMO
Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N	ZINC000187401931	333170301	/nfs/dbraw/zinc/17/03/01/333170301.db2.gz	HTXDHDODIDHOQH-ZDUSSCGKSA-N	1	1	284.790	4.371	10	30		CIEEMO
C=CCCCCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1	ZINC000193363498	333248500	/nfs/dbraw/zinc/24/85/00/333248500.db2.gz	RSVHDYQHFHYMOZ-UHFFFAOYSA-N	1	1	289.423	4.052	10	30		CIEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(Cl)c(Cl)c1	ZINC000251233746	334358511	/nfs/dbraw/zinc/35/85/11/334358511.db2.gz	BXKAIYQHTMGDEF-CHIMOYNISA-N	1	1	283.202	4.336	10	30		CIEEMO
CCCCCCC[C@@](C)(C[NH3+])N1CCC(CC)CC1	ZINC000103986323	185875809	/nfs/dbraw/zinc/87/58/09/185875809.db2.gz	SZSUYZHNBJCPNA-KRWDZBQOSA-N	1	1	268.489	4.186	10	30		CIEEMO
CCc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1	ZINC000103138901	328766339	/nfs/dbraw/zinc/76/63/39/328766339.db2.gz	PSADFWRLSFLGBZ-CYBMUJFWSA-N	1	1	282.362	4.111	10	30		CIEEMO
N#C[C@@H]1CCC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21	ZINC000061891324	333475049	/nfs/dbraw/zinc/47/50/49/333475049.db2.gz	GUGCMJLJEADCKN-SCLBCKFNSA-N	1	1	274.367	4.038	10	30		CIEEMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1c1ccco1	ZINC000135235708	334120716	/nfs/dbraw/zinc/12/07/16/334120716.db2.gz	QJQAFRDYRJUGIF-KRWDZBQOSA-N	1	1	294.398	4.418	10	30		CIEEMO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(C(F)(F)F)cc1	ZINC000252440531	334380032	/nfs/dbraw/zinc/38/00/32/334380032.db2.gz	RVXBUEQWRKZVPW-JKOKRWQUSA-N	1	1	282.309	4.048	10	30		CIEEMO
C[N@@H+]([C@H](CC#N)c1ccccc1)C1CCCCCC1	ZINC000055020218	523627908	/nfs/dbraw/zinc/62/79/08/523627908.db2.gz	UTSBVOXDDVCHJQ-QGZVFWFLSA-N	1	1	256.393	4.296	10	30		CIEEMO