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@@H]1CSC(Nc2cccc(SC)c2)=[NH+]1	ZINC000035294325	172105951	/nfs/dbraw/zinc/10/59/51/172105951.db2.gz	LFJXHVOEKSDEEV-SECBINFHSA-N	1	2	252.408	3.511	10	30		CHEELO
CC[C@H]1CSC(Nc2cc(Cl)ccc2C)=[NH+]1	ZINC000035295173	172106763	/nfs/dbraw/zinc/10/67/63/172106763.db2.gz	CMIIZBNWGMJGGQ-JTQLQIEISA-N	1	2	254.786	3.751	10	30		CHEELO
CCn1cc[nH+]c1CNc1ccccc1SCCC#N	ZINC000124425866	329570247	/nfs/dbraw/zinc/57/02/47/329570247.db2.gz	OGEQXHIKGPZDNC-UHFFFAOYSA-N	1	2	286.404	3.521	10	30		CHEELO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl	ZINC000061890961	333474765	/nfs/dbraw/zinc/47/47/65/333474765.db2.gz	WUXSRBOUAPCKGO-CABZTGNLSA-N	1	2	269.175	3.775	10	30		CHEELO
CS[C@@H]1CCC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227593828	525838297	/nfs/dbraw/zinc/83/82/97/525838297.db2.gz	AFDQASUTNSVQLF-QWHCGFSZSA-N	1	2	275.421	3.656	10	30		CHEELO
C[NH+](C)c1ccc(NC=CC(=O)c2ccccc2)cc1	ZINC000007991431	170312514	/nfs/dbraw/zinc/31/25/14/170312514.db2.gz	NZADGJKUXBUGCH-SEYXRHQNSA-N	1	2	266.344	3.561	10	30		CHEELO
CC[C@H]1CSC(Nc2ccc(F)c(Cl)c2)=[NH+]1	ZINC000035082628	171967672	/nfs/dbraw/zinc/96/76/72/171967672.db2.gz	UNPWCGILMFTKHY-ZETCQYMHSA-N	1	2	258.749	3.582	10	30		CHEELO
C=CCNc1nc[nH+]c(Nc2ccc(CCCC)cc2)c1N	ZINC000040679942	174374969	/nfs/dbraw/zinc/37/49/69/174374969.db2.gz	NJEWDVYAHPUWDX-UHFFFAOYSA-N	1	2	297.406	3.743	10	30		CHEELO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl	ZINC000312613380	260182315	/nfs/dbraw/zinc/18/23/15/260182315.db2.gz	AMEGXTRWXBZUOD-VXNVDRBHSA-N	1	2	275.204	3.837	10	30		CHEELO
CCn1cc[nH+]c1CS[C@H](C)c1cccc(C#N)c1	ZINC000190805976	264969723	/nfs/dbraw/zinc/96/97/23/264969723.db2.gz	VTCLEFLHAMITJY-GFCCVEGCSA-N	1	2	271.389	3.769	10	30		CHEELO
CC(C)n1cc[nH+]c1CSc1ccccc1C#N	ZINC000173720294	329147702	/nfs/dbraw/zinc/14/77/02/329147702.db2.gz	GQGUFDOUZDUTPU-UHFFFAOYSA-N	1	2	257.362	3.628	10	30		CHEELO
CS[C@H]1CCC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227593832	525911670	/nfs/dbraw/zinc/91/16/70/525911670.db2.gz	AFDQASUTNSVQLF-STQMWFEESA-N	1	2	275.421	3.656	10	30		CHEELO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl	ZINC000312613373	260182241	/nfs/dbraw/zinc/18/22/41/260182241.db2.gz	AMEGXTRWXBZUOD-CBAPKCEASA-N	1	2	275.204	3.837	10	30		CHEELO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl	ZINC000230686720	333320752	/nfs/dbraw/zinc/32/07/52/333320752.db2.gz	ZYMFEYNAEPYSEM-RNCFNFMXSA-N	1	2	269.175	3.775	10	30		CHEELO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl	ZINC000230686725	333320791	/nfs/dbraw/zinc/32/07/91/333320791.db2.gz	ZYMFEYNAEPYSEM-TVQRCGJNSA-N	1	2	269.175	3.775	10	30		CHEELO
CC[C@@H](C)[NH2+]C1(C#N)CCC(c2ccccc2)CC1	ZINC000038064224	174075557	/nfs/dbraw/zinc/07/55/57/174075557.db2.gz	AQATWLRPDHVVGU-ODIFPOPNSA-N	1	2	256.393	3.995	10	30		CHEELO
N#C[C@@]1([NH+]2CCCCCC2)CCCc2ccccc21	ZINC000038086254	174097997	/nfs/dbraw/zinc/09/79/97/174097997.db2.gz	NAQZWUAUTQZGGT-KRWDZBQOSA-N	1	2	254.377	3.618	10	30		CHEELO
C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000188467428	260145153	/nfs/dbraw/zinc/14/51/53/260145153.db2.gz	IQQSSVMSFUOVQV-KDOFPFPSSA-N	1	2	297.402	3.652	10	30		CHEELO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl	ZINC000230686727	333320736	/nfs/dbraw/zinc/32/07/36/333320736.db2.gz	ZYMFEYNAEPYSEM-NOZJJQNGSA-N	1	2	269.175	3.775	10	30		CHEELO
CC(C)[NH2+][C@](C)(C#N)CCCOCC1CCCCC1	ZINC000052156815	519739469	/nfs/dbraw/zinc/73/94/69/519739469.db2.gz	JXVPQHQXBSXWEA-INIZCTEOSA-N	1	2	266.429	3.644	10	30		CHEELO
CCc1ccsc1CNc1cc(C)[nH+]c(C)c1C#N	ZINC000157462361	521998468	/nfs/dbraw/zinc/99/84/68/521998468.db2.gz	JZRSOSYSQHBLPV-UHFFFAOYSA-N	1	2	271.389	3.806	10	30		CHEELO
Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c(C#N)c(C)[nH+]1	ZINC000156837924	525293794	/nfs/dbraw/zinc/29/37/94/525293794.db2.gz	FMSONRCAUPBSGM-LBPRGKRZSA-N	1	2	276.343	3.615	10	30		CHEELO
Cc1cc(NCc2cccc(Cl)c2)c(C#N)c(C)[nH+]1	ZINC000168880614	327487660	/nfs/dbraw/zinc/48/76/60/327487660.db2.gz	JDWOFMAMMSOZEV-UHFFFAOYSA-N	1	2	271.751	3.836	10	30		CHEELO
CC(C)[NH2+][C@](C)(C#N)CCS[C@H]1CCC[C@@H](C)C1	ZINC000054695014	519739265	/nfs/dbraw/zinc/73/92/65/519739265.db2.gz	YPCXUZFQKJKHAA-ILXRZTDVSA-N	1	2	268.470	3.969	10	30		CHEELO
Cc1cc(N(C)Cc2ccc(Cl)s2)c(C#N)c(C)[nH+]1	ZINC000156540169	525030045	/nfs/dbraw/zinc/03/00/45/525030045.db2.gz	PGLILSLAQQTHAB-UHFFFAOYSA-N	1	2	291.807	3.921	10	30		CHEELO
CCCCCCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000177776770	1125279923	/nfs/dbraw/zinc/27/99/23/1125279923.db2.gz	MHBQUFGULNGQAI-MRXNPFEDSA-N	1	2	291.439	3.625	10	30		CHEELO
C[C@H](Nc1c(C#N)c(N)[nH+]c2ccccc21)c1ccccc1	ZINC000090562725	180004765	/nfs/dbraw/zinc/00/47/65/180004765.db2.gz	RVVIVFPYWQZEEI-LBPRGKRZSA-N	1	2	288.354	3.862	10	30		CHEELO
CC[C@H]([NH2+]CCC#N)c1ccc(Cl)cc1Cl	ZINC000035625414	172304902	/nfs/dbraw/zinc/30/49/02/172304902.db2.gz	YRMRWJISKHCDMR-LBPRGKRZSA-N	1	2	257.164	3.948	10	30		CHEELO
Cc1cc(N[C@@H](C)c2cccs2)c(C#N)c(C)[nH+]1	ZINC000161963869	264302584	/nfs/dbraw/zinc/30/25/84/264302584.db2.gz	ZTMZRBXWOWMECC-NSHDSACASA-N	1	2	257.362	3.805	10	30		CHEELO
CCCCCC[C@H](C)OCC[C@@H](C#N)[NH2+]CCC	ZINC000062441757	520132775	/nfs/dbraw/zinc/13/27/75/520132775.db2.gz	NDQTYNROZSCCGD-GJZGRUSLSA-N	1	2	254.418	3.644	10	30		CHEELO
COc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1C	ZINC000156560884	524713369	/nfs/dbraw/zinc/71/33/69/524713369.db2.gz	SOBFWFJOASKUEH-UHFFFAOYSA-N	1	2	267.332	3.631	10	30		CHEELO
Cc1cc(N2CC[C@@H](c3ccccc3)C2)c(C#N)c(C)[nH+]1	ZINC000156573188	525090933	/nfs/dbraw/zinc/09/09/33/525090933.db2.gz	YHMCHYBICODLFT-MRXNPFEDSA-N	1	2	277.371	3.564	10	30		CHEELO
N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)s1	ZINC000127710738	526611040	/nfs/dbraw/zinc/61/10/40/526611040.db2.gz	VYONCMZNXUGZIP-CYBMUJFWSA-N	1	2	289.429	3.803	10	30		CHEELO
N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)s1	ZINC000127710738	526611046	/nfs/dbraw/zinc/61/10/46/526611046.db2.gz	VYONCMZNXUGZIP-CYBMUJFWSA-N	1	2	289.429	3.803	10	30		CHEELO
C=CC[N@H+](Cc1ccco1)Cc1ccc2cccc(O)c2n1	ZINC000055131196	566870001	/nfs/dbraw/zinc/87/00/01/566870001.db2.gz	YSGANMFCOPXALF-UHFFFAOYSA-N	1	2	294.354	3.722	10	30		CHEELO
C=CC[N@@H+](Cc1ccco1)Cc1ccc2cccc(O)c2n1	ZINC000055131196	566870004	/nfs/dbraw/zinc/87/00/04/566870004.db2.gz	YSGANMFCOPXALF-UHFFFAOYSA-N	1	2	294.354	3.722	10	30		CHEELO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21	ZINC000164477107	331240397	/nfs/dbraw/zinc/24/03/97/331240397.db2.gz	CYKCXARUVPBOOX-GWCFXTLKSA-N	1	2	274.751	3.868	10	30		CHEELO
Cc1cc(N2CC[C@H](c3ccccc3)C2)c(C#N)c(C)[nH+]1	ZINC000156573049	525095716	/nfs/dbraw/zinc/09/57/16/525095716.db2.gz	YHMCHYBICODLFT-INIZCTEOSA-N	1	2	277.371	3.564	10	30		CHEELO
Cc1cc(NCCSc2ccccc2)c(C#N)c(C)[nH+]1	ZINC000156838544	525270153	/nfs/dbraw/zinc/27/01/53/525270153.db2.gz	GZIYDXPSCYBUQU-UHFFFAOYSA-N	1	2	283.400	3.774	10	30		CHEELO
Cc1cc(N[C@H](C)c2cccs2)c(C#N)c(C)[nH+]1	ZINC000161963985	264302792	/nfs/dbraw/zinc/30/27/92/264302792.db2.gz	ZTMZRBXWOWMECC-LLVKDONJSA-N	1	2	257.362	3.805	10	30		CHEELO
CCS[C@H]1CC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227594063	333286378	/nfs/dbraw/zinc/28/63/78/333286378.db2.gz	UGVMIPJXTOITIR-STQMWFEESA-N	1	2	275.421	3.656	10	30		CHEELO
N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)s1	ZINC000127710966	526611585	/nfs/dbraw/zinc/61/15/85/526611585.db2.gz	VYONCMZNXUGZIP-ZDUSSCGKSA-N	1	2	289.429	3.803	10	30		CHEELO
N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)s1	ZINC000127710966	526611591	/nfs/dbraw/zinc/61/15/91/526611591.db2.gz	VYONCMZNXUGZIP-ZDUSSCGKSA-N	1	2	289.429	3.803	10	30		CHEELO
CCCCCCCCCCCc1nc(N(C)C)nc(N)[nH+]1	ZINC000103600344	567915574	/nfs/dbraw/zinc/91/55/74/567915574.db2.gz	DRUUCGTXMKZTLE-UHFFFAOYSA-N	1	2	293.459	3.593	10	30		CHEELO
CCCCCCCCCCCc1nc(N)nc(N(C)C)[nH+]1	ZINC000103600344	567915576	/nfs/dbraw/zinc/91/55/76/567915576.db2.gz	DRUUCGTXMKZTLE-UHFFFAOYSA-N	1	2	293.459	3.593	10	30		CHEELO
CC[C@H](C)[NH2+]C1(C#N)CCC(c2ccccc2)CC1	ZINC000038064225	174075185	/nfs/dbraw/zinc/07/51/85/174075185.db2.gz	AQATWLRPDHVVGU-OOHWJJMZSA-N	1	2	256.393	3.995	10	30		CHEELO
C[C@@H](CC#N)[NH2+]C(c1ccccc1)c1ccccc1	ZINC000037870770	260118770	/nfs/dbraw/zinc/11/87/70/260118770.db2.gz	XLCPNNCNNBSQJG-AWEZNQCLSA-N	1	2	250.345	3.668	10	30		CHEELO
CC(C)c1nc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)no1	ZINC000174838566	329163772	/nfs/dbraw/zinc/16/37/72/329163772.db2.gz	OQUSHVWIGKSGTA-ZDUSSCGKSA-N	1	2	290.411	3.660	10	30		CHEELO
CC(C)c1nc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)no1	ZINC000174838566	329163774	/nfs/dbraw/zinc/16/37/74/329163774.db2.gz	OQUSHVWIGKSGTA-ZDUSSCGKSA-N	1	2	290.411	3.660	10	30		CHEELO
CCS[C@@H]1CC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227594056	333286271	/nfs/dbraw/zinc/28/62/71/333286271.db2.gz	UGVMIPJXTOITIR-QWHCGFSZSA-N	1	2	275.421	3.656	10	30		CHEELO
CCc1ccccc1CNc1cc(C)[nH+]c(C)c1C#N	ZINC000156585997	521845167	/nfs/dbraw/zinc/84/51/67/521845167.db2.gz	BYFBUUQNZVLIDY-UHFFFAOYSA-N	1	2	265.360	3.745	10	30		CHEELO
Cc1ccsc1CNc1cc(C)[nH+]c(C)c1C#N	ZINC000157462181	525861776	/nfs/dbraw/zinc/86/17/76/525861776.db2.gz	QIEFGMZJIXTJBG-UHFFFAOYSA-N	1	2	257.362	3.552	10	30		CHEELO
N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccco1	ZINC000160470715	526640872	/nfs/dbraw/zinc/64/08/72/526640872.db2.gz	OWASJSYZNSHKSG-OAHLLOKOSA-N	1	2	270.307	3.627	10	30		CHEELO
N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccco1	ZINC000160470715	526640875	/nfs/dbraw/zinc/64/08/75/526640875.db2.gz	OWASJSYZNSHKSG-OAHLLOKOSA-N	1	2	270.307	3.627	10	30		CHEELO
N#Cc1ccccc1/[NH+]=C1/CCCN1Cc1ccccc1	ZINC000096901162	185126594	/nfs/dbraw/zinc/12/65/94/185126594.db2.gz	MDJXKNLPTDVNJN-ZZEZOPTASA-N	1	2	275.355	3.884	10	30		CHEELO
CC[C@@H]1CSC(Nc2cc(Cl)ccc2C)=[NH+]1	ZINC000035295172	172107334	/nfs/dbraw/zinc/10/73/34/172107334.db2.gz	CMIIZBNWGMJGGQ-SNVBAGLBSA-N	1	2	254.786	3.751	10	30		CHEELO
Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(Br)c1	ZINC000164035557	331154681	/nfs/dbraw/zinc/15/46/81/331154681.db2.gz	PKUWNGTYOLRBCF-SMDDNHRTSA-N	1	2	293.208	3.539	10	30		CHEELO
Cc1cc(NCc2ccc(Cl)cc2)c(C#N)c(C)[nH+]1	ZINC000156534003	525279047	/nfs/dbraw/zinc/27/90/47/525279047.db2.gz	PCDUQHHPWSQIBP-UHFFFAOYSA-N	1	2	271.751	3.836	10	30		CHEELO
Cc1cc(N[C@@H]2C[C@@H]2c2ccccc2)c(C#N)c(C)[nH+]1	ZINC000156568926	525299175	/nfs/dbraw/zinc/29/91/75/525299175.db2.gz	YYPFVCFKTLCKLR-RHSMWYFYSA-N	1	2	263.344	3.538	10	30		CHEELO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1	ZINC000061892656	262406153	/nfs/dbraw/zinc/40/61/53/262406153.db2.gz	MKMXHJBPDCBHIE-UONOGXRCSA-N	1	2	283.400	3.592	10	30		CHEELO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1	ZINC000061892657	262406327	/nfs/dbraw/zinc/40/63/27/262406327.db2.gz	MKMXHJBPDCBHIE-KBPBESRZSA-N	1	2	283.400	3.592	10	30		CHEELO
CC(C)c1nc([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)no1	ZINC000174838577	329163998	/nfs/dbraw/zinc/16/39/98/329163998.db2.gz	OQUSHVWIGKSGTA-CYBMUJFWSA-N	1	2	290.411	3.660	10	30		CHEELO
CC(C)c1nc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)no1	ZINC000174838577	329163999	/nfs/dbraw/zinc/16/39/99/329163999.db2.gz	OQUSHVWIGKSGTA-CYBMUJFWSA-N	1	2	290.411	3.660	10	30		CHEELO
CCOc1cccc(CNc2cc(C)[nH+]c(C)c2C#N)c1	ZINC000156837464	521377855	/nfs/dbraw/zinc/37/78/55/521377855.db2.gz	DORNHLRFXSAPSV-UHFFFAOYSA-N	1	2	281.359	3.581	10	30		CHEELO
C[C@H]([NH2+][C@@H](CC#N)c1ccccc1)c1ccccc1	ZINC000055014821	525539488	/nfs/dbraw/zinc/53/94/88/525539488.db2.gz	YBUDMVYONHUCJV-YOEHRIQHSA-N	1	2	250.345	3.992	10	30		CHEELO
C=CCNc1nc[nH+]c(Nc2ccc(C(C)C)cc2)c1N	ZINC000040705980	174379416	/nfs/dbraw/zinc/37/94/16/174379416.db2.gz	JMKYHUGGTCISGE-UHFFFAOYSA-N	1	2	283.379	3.524	10	30		CHEELO
Cc1cc([C@H](C)Nc2cc(C)[nH+]c(C)c2C#N)c(C)o1	ZINC000212671083	261306704	/nfs/dbraw/zinc/30/67/04/261306704.db2.gz	DIAGPHSSMLCNDS-NSHDSACASA-N	1	2	269.348	3.953	10	30		CHEELO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21	ZINC000164476851	331240399	/nfs/dbraw/zinc/24/03/99/331240399.db2.gz	CYKCXARUVPBOOX-ZWNOBZJWSA-N	1	2	274.751	3.868	10	30		CHEELO
Cc1cc(N[C@H]2C[C@@H]2c2ccccc2)c(C#N)c(C)[nH+]1	ZINC000156569051	525304274	/nfs/dbraw/zinc/30/42/74/525304274.db2.gz	YYPFVCFKTLCKLR-PBHICJAKSA-N	1	2	263.344	3.538	10	30		CHEELO
CCCC[C@@](C#N)(Cn1cc[nH+]c1)c1ccccc1	ZINC000001532196	560181738	/nfs/dbraw/zinc/18/17/38/560181738.db2.gz	OQOULEWDDRNBSG-MRXNPFEDSA-N	1	2	253.349	3.535	10	30	in-vitro	CHEELO
c1ccc(Oc2ccc(NC3=[NH+]CCS3)cc2)cc1	ZINC000020302516	171139604	/nfs/dbraw/zinc/13/96/04/171139604.db2.gz	FBSNOCVOIGTFEL-UHFFFAOYSA-N	1	2	270.357	3.803	10	30		CHEELO
C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000188467381	260145007	/nfs/dbraw/zinc/14/50/07/260145007.db2.gz	IQQSSVMSFUOVQV-KSSFIOAISA-N	1	2	297.402	3.652	10	30		CHEELO
CCc1ccc(CNc2cc(C)[nH+]c(C)c2C#N)cc1	ZINC000227593418	333286364	/nfs/dbraw/zinc/28/63/64/333286364.db2.gz	VCYVAKVDPKHIBE-UHFFFAOYSA-N	1	2	265.360	3.745	10	30		CHEELO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1	ZINC000061891631	333474983	/nfs/dbraw/zinc/47/49/83/333474983.db2.gz	QFVWOOMSSGOKBR-CJNGLKHVSA-N	1	2	284.334	3.868	10	30		CHEELO
C[C@@H]([NH2+]CCC#N)c1cc2cc(Br)ccc2o1	ZINC000020199840	184535416	/nfs/dbraw/zinc/53/54/16/184535416.db2.gz	OYWNYHKEPDHFEK-SECBINFHSA-N	1	2	293.164	3.760	10	30		CHEELO
N/C(CCCOc1c(Cl)cc(Cl)cc1Cl)=[NH+]\O	ZINC000020518853	171233164	/nfs/dbraw/zinc/23/31/64/171233164.db2.gz	UVYDHWOAUALKIV-UHFFFAOYSA-N	1	2	297.569	3.552	10	30		CHEELO
C[C@H](CC#N)[NH2+]C(c1ccccc1)c1ccccc1	ZINC000037870771	260118533	/nfs/dbraw/zinc/11/85/33/260118533.db2.gz	XLCPNNCNNBSQJG-CQSZACIVSA-N	1	2	250.345	3.668	10	30		CHEELO
Cc1cc(N2CCC3(C2)CCCCC3)c(C#N)c(C)[nH+]1	ZINC000301750924	261339732	/nfs/dbraw/zinc/33/97/32/261339732.db2.gz	AWCQQLZTMNXSQL-UHFFFAOYSA-N	1	2	269.392	3.731	10	30		CHEELO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1	ZINC000061891630	333475110	/nfs/dbraw/zinc/47/51/10/333475110.db2.gz	QFVWOOMSSGOKBR-CZUORRHYSA-N	1	2	284.334	3.868	10	30		CHEELO
CCCCCCCCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1	ZINC000177776783	1125280112	/nfs/dbraw/zinc/28/01/12/1125280112.db2.gz	MHBQUFGULNGQAI-INIZCTEOSA-N	1	2	291.439	3.625	10	30		CHEELO
Cc1cc(NC[C@H](C)N(C)c2ccccc2)c(C#N)c(C)[nH+]1	ZINC000301775413	328829940	/nfs/dbraw/zinc/82/99/40/328829940.db2.gz	KZPCBDDVBRMXDJ-AWEZNQCLSA-N	1	2	294.402	3.507	10	30		CHEELO
N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccco1	ZINC000160470620	526639925	/nfs/dbraw/zinc/63/99/25/526639925.db2.gz	OWASJSYZNSHKSG-HNNXBMFYSA-N	1	2	270.307	3.627	10	30		CHEELO
N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccco1	ZINC000160470620	526639930	/nfs/dbraw/zinc/63/99/30/526639930.db2.gz	OWASJSYZNSHKSG-HNNXBMFYSA-N	1	2	270.307	3.627	10	30		CHEELO
Cc1ccc(-c2ccnc(-c3ccccc3C#N)n2)c(C)[nH+]1	ZINC000071681592	176245528	/nfs/dbraw/zinc/24/55/28/176245528.db2.gz	KOBHTHXNFBPDFP-UHFFFAOYSA-N	1	2	286.338	3.694	10	30		CHEELO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21	ZINC000164477034	331240388	/nfs/dbraw/zinc/24/03/88/331240388.db2.gz	CYKCXARUVPBOOX-GXFFZTMASA-N	1	2	274.751	3.868	10	30		CHEELO
N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl	ZINC000061891122	333475120	/nfs/dbraw/zinc/47/51/20/333475120.db2.gz	HVXUQLUIEUXJDI-NOZJJQNGSA-N	1	2	269.175	3.775	10	30		CHEELO
Cc1cc(N2CCCC(C)(C)CC2)c(C#N)c(C)[nH+]1	ZINC000157449784	525060786	/nfs/dbraw/zinc/06/07/86/525060786.db2.gz	BGNOVRAREKMUDT-UHFFFAOYSA-N	1	2	257.381	3.587	10	30		CHEELO
CC(C)(C)c1cc([C@H]([NH3+])C#N)cc(C(C)(C)C)c1O	ZINC000022219988	171377048	/nfs/dbraw/zinc/37/70/48/171377048.db2.gz	IEIMKFZYTLVOBR-CYBMUJFWSA-N	1	2	260.381	3.511	10	30		CHEELO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl	ZINC000312613377	260182336	/nfs/dbraw/zinc/18/23/36/260182336.db2.gz	AMEGXTRWXBZUOD-IONNQARKSA-N	1	2	275.204	3.837	10	30		CHEELO
CCCCCC[C@@H](C)OCC[C@H](C#N)[NH2+]CCC	ZINC000062441768	520120325	/nfs/dbraw/zinc/12/03/25/520120325.db2.gz	NDQTYNROZSCCGD-HUUCEWRRSA-N	1	2	254.418	3.644	10	30		CHEELO
COc1ccc(C=Nc2ccc3[nH]c(C)[nH+]c3c2)cc1OC	ZINC000005940864	170158770	/nfs/dbraw/zinc/15/87/70/170158770.db2.gz	YSFAUNDIUCJZLW-VCHYOVAHSA-N	1	2	295.342	3.639	10	30		CHEELO
N/C(CCCOc1cc(Cl)c(Cl)cc1Cl)=[NH+]\O	ZINC000019808395	170877448	/nfs/dbraw/zinc/87/74/48/170877448.db2.gz	RNVBLXVESCHWNW-UHFFFAOYSA-N	1	2	297.569	3.552	10	30		CHEELO
CC[C@@H]1CSC(Nc2ccc(Br)cc2C)=[NH+]1	ZINC000035294518	172106480	/nfs/dbraw/zinc/10/64/80/172106480.db2.gz	AXDPAYHJJMZIOE-SNVBAGLBSA-N	1	2	299.237	3.860	10	30		CHEELO
CS[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227593818	333286396	/nfs/dbraw/zinc/28/63/96/333286396.db2.gz	AFDQASUTNSVQLF-CHWSQXEVSA-N	1	2	275.421	3.656	10	30		CHEELO
CCCCCC[C@@H](C)OCC[C@@H](C#N)[NH2+]CCC	ZINC000062441755	520120478	/nfs/dbraw/zinc/12/04/78/520120478.db2.gz	NDQTYNROZSCCGD-CABCVRRESA-N	1	2	254.418	3.644	10	30		CHEELO
CCc1ccc(CNc2cc(C)[nH+]c(C)c2C#N)s1	ZINC000227592079	523947890	/nfs/dbraw/zinc/94/78/90/523947890.db2.gz	SZKYFVCMKUOHKK-UHFFFAOYSA-N	1	2	271.389	3.806	10	30		CHEELO
CC(C)CCN=C1NC(=[NH+]CCC(C)C)c2ccccc21	ZINC000040802668	174408785	/nfs/dbraw/zinc/40/87/85/174408785.db2.gz	LXBZZQINZBDTKO-UHFFFAOYSA-N	1	2	285.435	3.875	10	30		CHEELO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl	ZINC000312613370	260182384	/nfs/dbraw/zinc/18/23/84/260182384.db2.gz	AMEGXTRWXBZUOD-APPZFPTMSA-N	1	2	275.204	3.837	10	30		CHEELO
Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(Br)c1	ZINC000164035665	331154636	/nfs/dbraw/zinc/15/46/36/331154636.db2.gz	PKUWNGTYOLRBCF-FZMZJTMJSA-N	1	2	293.208	3.539	10	30		CHEELO
CC(C)n1cc[nH+]c1CSCc1ccc(F)cc1C#N	ZINC000175296149	261216957	/nfs/dbraw/zinc/21/69/57/261216957.db2.gz	JOWMFYOWUGAHKY-UHFFFAOYSA-N	1	2	289.379	3.908	10	30		CHEELO
Cc1cc(N2CCC3(CCCC3)CC2)c(C#N)c(C)[nH+]1	ZINC000156579889	525060461	/nfs/dbraw/zinc/06/04/61/525060461.db2.gz	XPUMHFZGLYGYGQ-UHFFFAOYSA-N	1	2	269.392	3.731	10	30		CHEELO
Cc1cc(N2CCCc3ccccc3C2)c(C#N)c(C)[nH+]1	ZINC000156579610	525074250	/nfs/dbraw/zinc/07/42/50/525074250.db2.gz	ZVBLJOYYSCSOPK-UHFFFAOYSA-N	1	2	277.371	3.523	10	30		CHEELO
C[C@H]([NH2+][C@H](CC#N)c1ccccc1)c1ccccc1	ZINC000055014836	525593105	/nfs/dbraw/zinc/59/31/05/525593105.db2.gz	YBUDMVYONHUCJV-WMLDXEAASA-N	1	2	250.345	3.992	10	30		CHEELO
C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000188467360	260145837	/nfs/dbraw/zinc/14/58/37/260145837.db2.gz	IQQSSVMSFUOVQV-KBXCAEBGSA-N	1	2	297.402	3.652	10	30		CHEELO
Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(Br)c1	ZINC000164035435	331154677	/nfs/dbraw/zinc/15/46/77/331154677.db2.gz	PKUWNGTYOLRBCF-RISCZKNCSA-N	1	2	293.208	3.539	10	30		CHEELO
CC(C)n1cc[nH+]c1CSc1cccc(C#N)c1	ZINC000177358621	333058101	/nfs/dbraw/zinc/05/81/01/333058101.db2.gz	NOOTUCPXEKJMSZ-UHFFFAOYSA-N	1	2	257.362	3.628	10	30		CHEELO
CC[NH2+][C@](C)(C#N)CCSc1cccc(Cl)c1	ZINC000054186300	520225766	/nfs/dbraw/zinc/22/57/66/520225766.db2.gz	NTGFCKBWDFYADS-ZDUSSCGKSA-N	1	2	268.813	3.714	10	30		CHEELO
Cc1ccccc1C[NH2+][C@@H](CC#N)c1ccccc1	ZINC000055017104	525167848	/nfs/dbraw/zinc/16/78/48/525167848.db2.gz	PRUKJHCACNBHSY-KRWDZBQOSA-N	1	2	250.345	3.740	10	30		CHEELO
Cc1ccc(SCC[C@@H](C#N)[NH2+]C(C)C)c(C)c1	ZINC000062453787	525659405	/nfs/dbraw/zinc/65/94/05/525659405.db2.gz	WWQCSOHZPRVAQQ-AWEZNQCLSA-N	1	2	262.422	3.676	10	30		CHEELO
C[NH+]1C=CC(=C/C=C2/C=CC(=O)C(C(C)(C)C)=C2)C=C1	ZINC000104847722	186028904	/nfs/dbraw/zinc/02/89/04/186028904.db2.gz	PNRLDHBQABKNSE-UUASQNMZSA-N	1	2	267.372	3.923	10	30		CHEELO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21	ZINC000164476963	331240383	/nfs/dbraw/zinc/24/03/83/331240383.db2.gz	CYKCXARUVPBOOX-MFKMUULPSA-N	1	2	274.751	3.868	10	30		CHEELO
CC[N@H+](Cc1ccco1)[C@@H](CC#N)c1ccccc1	ZINC000055020324	521400027	/nfs/dbraw/zinc/40/00/27/521400027.db2.gz	ROJUADCPCYUNQX-INIZCTEOSA-N	1	2	254.333	3.756	10	30		CHEELO
CC[N@@H+](Cc1ccco1)[C@@H](CC#N)c1ccccc1	ZINC000055020324	521400033	/nfs/dbraw/zinc/40/00/33/521400033.db2.gz	ROJUADCPCYUNQX-INIZCTEOSA-N	1	2	254.333	3.756	10	30		CHEELO
CC[C@@H]([NH2+]CCC#N)c1ccc(Cl)cc1Cl	ZINC000035625416	172305133	/nfs/dbraw/zinc/30/51/33/172305133.db2.gz	YRMRWJISKHCDMR-GFCCVEGCSA-N	1	2	257.164	3.948	10	30		CHEELO
N#C[C@]1([NH+]2CCCCCC2)CCCc2ccccc21	ZINC000038086255	174097528	/nfs/dbraw/zinc/09/75/28/174097528.db2.gz	NAQZWUAUTQZGGT-QGZVFWFLSA-N	1	2	254.377	3.618	10	30		CHEELO
Cc1cc(NCc2ccc3c(c2)CCC3)c(C#N)c(C)[nH+]1	ZINC000301757346	533999223	/nfs/dbraw/zinc/99/92/23/533999223.db2.gz	DZEZWFWHJPLIEB-UHFFFAOYSA-N	1	2	277.371	3.671	10	30		CHEELO
CC(C)[NH2+][C@@H](C#N)CCSc1cccc(Cl)c1	ZINC000062458531	519733571	/nfs/dbraw/zinc/73/35/71/519733571.db2.gz	ZDELVFPYJZYCCD-GFCCVEGCSA-N	1	2	268.813	3.712	10	30		CHEELO
CC[NH2+][C@@H](C#N)CCSc1ccc(C(C)C)cc1	ZINC000062453622	520057747	/nfs/dbraw/zinc/05/77/47/520057747.db2.gz	YSVRMZDYFZHBCE-CQSZACIVSA-N	1	2	262.422	3.794	10	30		CHEELO
CCCCCC[C@H](C)OCC[C@H](C#N)[NH2+]CCC	ZINC000062441772	520132355	/nfs/dbraw/zinc/13/23/55/520132355.db2.gz	NDQTYNROZSCCGD-LSDHHAIUSA-N	1	2	254.418	3.644	10	30		CHEELO
Cc1cc(NCc2ccc(F)c(Cl)c2)c(C#N)c(C)[nH+]1	ZINC000156574540	525279889	/nfs/dbraw/zinc/27/98/89/525279889.db2.gz	UUVQSEAIHVZDIQ-UHFFFAOYSA-N	1	2	289.741	3.975	10	30		CHEELO
N#C[C@H](CCc1ccccc1)[NH2+]C1CCCCCC1	ZINC000061625375	526508249	/nfs/dbraw/zinc/50/82/49/526508249.db2.gz	ZFBIUXMVFBERRL-KRWDZBQOSA-N	1	2	256.393	3.824	10	30		CHEELO
CC[C@H]1CSC(Nc2cccc(SC)c2)=[NH+]1	ZINC000035294326	172105984	/nfs/dbraw/zinc/10/59/84/172105984.db2.gz	LFJXHVOEKSDEEV-VIFPVBQESA-N	1	2	252.408	3.511	10	30		CHEELO
N#C[C@]1([NH+]2CCCCCC2)CCSc2ccccc21	ZINC000038086214	174096686	/nfs/dbraw/zinc/09/66/86/174096686.db2.gz	UCFIAPCUPHSPTF-MRXNPFEDSA-N	1	2	272.417	3.777	10	30		CHEELO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(Cl)c1Cl	ZINC000379461415	329558483	/nfs/dbraw/zinc/55/84/83/329558483.db2.gz	SYCGMDAGVBVSOJ-IONNQARKSA-N	1	2	275.204	3.837	10	30		CHEELO
Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(Br)c1	ZINC000164035322	331154641	/nfs/dbraw/zinc/15/46/41/331154641.db2.gz	PKUWNGTYOLRBCF-BXUZGUMPSA-N	1	2	293.208	3.539	10	30		CHEELO
Cc1cc(NCCc2cc(F)cc(F)c2)c(C#N)c(C)[nH+]1	ZINC000156574661	525273433	/nfs/dbraw/zinc/27/34/33/525273433.db2.gz	HEXZBSBVRAESTA-UHFFFAOYSA-N	1	2	287.313	3.503	10	30		CHEELO
C=C[C@](C)(CC)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000188467403	260145770	/nfs/dbraw/zinc/14/57/70/260145770.db2.gz	IQQSSVMSFUOVQV-RDTXWAMCSA-N	1	2	297.402	3.652	10	30		CHEELO
CSCCCCCNc1cc(C)[nH+]c(C)c1C#N	ZINC000229571250	261201973	/nfs/dbraw/zinc/20/19/73/261201973.db2.gz	FPEDURDUODUWBT-UHFFFAOYSA-N	1	2	263.410	3.515	10	30		CHEELO
CCS[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227594044	333286264	/nfs/dbraw/zinc/28/62/64/333286264.db2.gz	UGVMIPJXTOITIR-CHWSQXEVSA-N	1	2	275.421	3.656	10	30		CHEELO
CC[NH2+][C@H](C#N)CCSc1cc(Cl)ccc1Cl	ZINC000062453233	520162421	/nfs/dbraw/zinc/16/24/21/520162421.db2.gz	BPEWNYQAQLDKFC-JTQLQIEISA-N	1	2	289.231	3.977	10	30		CHEELO
CC[NH2+][C@@H](C#N)CCSc1cc(Cl)ccc1Cl	ZINC000062453235	520057899	/nfs/dbraw/zinc/05/78/99/520057899.db2.gz	BPEWNYQAQLDKFC-SNVBAGLBSA-N	1	2	289.231	3.977	10	30		CHEELO
C[N@H+](Cc1cccs1)[C@H](CC#N)c1ccccc1	ZINC000055020143	523446413	/nfs/dbraw/zinc/44/64/13/523446413.db2.gz	FRSOVMIYPATAEG-OAHLLOKOSA-N	1	2	256.374	3.835	10	30		CHEELO
C[N@@H+](Cc1cccs1)[C@H](CC#N)c1ccccc1	ZINC000055020143	523446428	/nfs/dbraw/zinc/44/64/28/523446428.db2.gz	FRSOVMIYPATAEG-OAHLLOKOSA-N	1	2	256.374	3.835	10	30		CHEELO
Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c(C#N)c(C)[nH+]1	ZINC000156838071	525301540	/nfs/dbraw/zinc/30/15/40/525301540.db2.gz	FMSONRCAUPBSGM-GFCCVEGCSA-N	1	2	276.343	3.615	10	30		CHEELO
Cc1cc(N[C@H]2C[C@H]2c2ccccc2)c(C#N)c(C)[nH+]1	ZINC000156569304	525305461	/nfs/dbraw/zinc/30/54/61/525305461.db2.gz	YYPFVCFKTLCKLR-YOEHRIQHSA-N	1	2	263.344	3.538	10	30		CHEELO
CCCC[C@](C#N)(Cn1cc[nH+]c1)c1ccccc1	ZINC000001532195	560181551	/nfs/dbraw/zinc/18/15/51/560181551.db2.gz	OQOULEWDDRNBSG-INIZCTEOSA-N	1	2	253.349	3.535	10	30	in-vitro	CHEELO
Cc1cc(NCCSC(C)(C)C)c(C#N)c(C)[nH+]1	ZINC000301804310	261341776	/nfs/dbraw/zinc/34/17/76/261341776.db2.gz	XEXLPHHIKPCLAC-UHFFFAOYSA-N	1	2	263.410	3.514	10	30		CHEELO
Clc1ccc2c(NN=Cc3cccnc3)cc[nH+]c2c1	ZINC000005163803	170072954	/nfs/dbraw/zinc/07/29/54/170072954.db2.gz	WTCHDUNWZHYYBS-VXLYETTFSA-N	1	2	282.734	3.729	10	30		CHEELO
Cc1cc(Br)ccc1NC1=[NH+]C(C)(C)CS1	ZINC000035294517	172106581	/nfs/dbraw/zinc/10/65/81/172106581.db2.gz	VTAOSYJPJLWQHT-UHFFFAOYSA-N	1	2	299.237	3.860	10	30		CHEELO
N#C[C@@]1([NH+]2CCCCCC2)CCSc2ccccc21	ZINC000038086215	174096983	/nfs/dbraw/zinc/09/69/83/174096983.db2.gz	UCFIAPCUPHSPTF-INIZCTEOSA-N	1	2	272.417	3.777	10	30		CHEELO
C[N@H+](Cc1cccs1)[C@@H](CC#N)c1ccccc1	ZINC000055020141	523446628	/nfs/dbraw/zinc/44/66/28/523446628.db2.gz	FRSOVMIYPATAEG-HNNXBMFYSA-N	1	2	256.374	3.835	10	30		CHEELO
C[N@@H+](Cc1cccs1)[C@@H](CC#N)c1ccccc1	ZINC000055020141	523446641	/nfs/dbraw/zinc/44/66/41/523446641.db2.gz	FRSOVMIYPATAEG-HNNXBMFYSA-N	1	2	256.374	3.835	10	30		CHEELO
Cc1ccc(CN(C)c2cc(C)[nH+]c(C)c2C#N)s1	ZINC000301766967	524402261	/nfs/dbraw/zinc/40/22/61/524402261.db2.gz	HPQUBHLZJMPBFQ-UHFFFAOYSA-N	1	2	271.389	3.576	10	30		CHEELO
Cc1cc([C@@H](C)Nc2cc(C)[nH+]c(C)c2C#N)c(C)o1	ZINC000212671149	261306262	/nfs/dbraw/zinc/30/62/62/261306262.db2.gz	DIAGPHSSMLCNDS-LLVKDONJSA-N	1	2	269.348	3.953	10	30		CHEELO
Cc1cc(NCC2(C3CC3)CCC2)c(C#N)c(C)[nH+]1	ZINC000301790530	261341187	/nfs/dbraw/zinc/34/11/87/261341187.db2.gz	NDRGBHBWIOPVHW-UHFFFAOYSA-N	1	2	255.365	3.562	10	30		CHEELO
Cc1nc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)cs1	ZINC000189934309	333200714	/nfs/dbraw/zinc/20/07/14/333200714.db2.gz	ILSIBNNWGMXWBJ-AWEZNQCLSA-N	1	2	289.429	3.722	10	30		CHEELO
Cc1nc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)cs1	ZINC000189934309	333200715	/nfs/dbraw/zinc/20/07/15/333200715.db2.gz	ILSIBNNWGMXWBJ-AWEZNQCLSA-N	1	2	289.429	3.722	10	30		CHEELO
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1Br	ZINC000061891358	333475105	/nfs/dbraw/zinc/47/51/05/333475105.db2.gz	QGCQJUDZWVOUTG-MISXGVKJSA-N	1	2	293.208	3.792	10	30		CHEELO
Cc1cc(N[C@@H]2C[C@H]2c2ccccc2)c(C#N)c(C)[nH+]1	ZINC000156569176	525297577	/nfs/dbraw/zinc/29/75/77/525297577.db2.gz	YYPFVCFKTLCKLR-WMLDXEAASA-N	1	2	263.344	3.538	10	30		CHEELO
O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(F)c1F	ZINC000588386944	1118493473	/nfs/dbraw/zinc/49/34/73/1118493473.db2.gz	SWNJUYHYQZIKRQ-FPLPWBNLSA-N	1	2	284.265	3.509	10	30		CHEELO
CC(C)(C)c1cc([C@@H]([NH3+])C#N)cc(C(C)(C)C)c1O	ZINC000022219985	171377193	/nfs/dbraw/zinc/37/71/93/171377193.db2.gz	IEIMKFZYTLVOBR-ZDUSSCGKSA-N	1	2	260.381	3.511	10	30		CHEELO
CC[C@H]1CSC(Nc2ccc(Br)cc2C)=[NH+]1	ZINC000035294519	172106600	/nfs/dbraw/zinc/10/66/00/172106600.db2.gz	AXDPAYHJJMZIOE-JTQLQIEISA-N	1	2	299.237	3.860	10	30		CHEELO
CCC1(CC)CSC(Nc2ccc(F)cc2)=[NH+]1	ZINC000053045967	175542203	/nfs/dbraw/zinc/54/22/03/175542203.db2.gz	PSHPWFWZYWZMIT-UHFFFAOYSA-N	1	2	252.358	3.708	10	30		CHEELO
CCS[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227594052	333286402	/nfs/dbraw/zinc/28/64/02/333286402.db2.gz	UGVMIPJXTOITIR-OLZOCXBDSA-N	1	2	275.421	3.656	10	30		CHEELO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1Br	ZINC000061891360	333475039	/nfs/dbraw/zinc/47/50/39/333475039.db2.gz	QGCQJUDZWVOUTG-WDMOLILDSA-N	1	2	293.208	3.792	10	30		CHEELO
CC[NH2+][C@H](C#N)CCSc1ccc(C(C)C)cc1	ZINC000062453620	520162592	/nfs/dbraw/zinc/16/25/92/520162592.db2.gz	YSVRMZDYFZHBCE-AWEZNQCLSA-N	1	2	262.422	3.794	10	30		CHEELO
N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl	ZINC000230686715	333320809	/nfs/dbraw/zinc/32/08/09/333320809.db2.gz	ZYMFEYNAEPYSEM-ZANVPECISA-N	1	2	269.175	3.775	10	30		CHEELO
CC(C)[NH2+][C@](C)(C#N)CCS[C@@H]1CCC[C@@H](C)C1	ZINC000054695018	519739198	/nfs/dbraw/zinc/73/91/98/519739198.db2.gz	YPCXUZFQKJKHAA-KFWWJZLASA-N	1	2	268.470	3.969	10	30		CHEELO
Cc1cc(NCCc2ccc(Cl)s2)c(C#N)c(C)[nH+]1	ZINC000227592250	525271830	/nfs/dbraw/zinc/27/18/30/525271830.db2.gz	YFBFASVGRJHYPV-UHFFFAOYSA-N	1	2	291.807	3.940	10	30		CHEELO
CS[C@H]1CCC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1	ZINC000227593824	525907485	/nfs/dbraw/zinc/90/74/85/525907485.db2.gz	AFDQASUTNSVQLF-OLZOCXBDSA-N	1	2	275.421	3.656	10	30		CHEELO
N#C[C@@H](CCc1ccccc1)[NH2+]C1CCCCCC1	ZINC000061625377	526494636	/nfs/dbraw/zinc/49/46/36/526494636.db2.gz	ZFBIUXMVFBERRL-QGZVFWFLSA-N	1	2	256.393	3.824	10	30		CHEELO
C=CCNc1[nH+]cnc(Nc2cccc3ccccc32)c1N	ZINC000040708931	174380441	/nfs/dbraw/zinc/38/04/41/174380441.db2.gz	GRDXSVLPKLECJU-UHFFFAOYSA-N	1	2	291.358	3.554	10	30		CHEELO
C=CCNc1nc[nH+]c(Nc2cccc3ccccc32)c1N	ZINC000040708931	174380442	/nfs/dbraw/zinc/38/04/42/174380442.db2.gz	GRDXSVLPKLECJU-UHFFFAOYSA-N	1	2	291.358	3.554	10	30		CHEELO
N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl	ZINC000061890959	333474786	/nfs/dbraw/zinc/47/47/86/333474786.db2.gz	WUXSRBOUAPCKGO-SKDRFNHKSA-N	1	2	269.175	3.775	10	30		CHEELO
CC[N@H+](Cc1ccco1)[C@H](CC#N)c1ccccc1	ZINC000055020326	521400191	/nfs/dbraw/zinc/40/01/91/521400191.db2.gz	ROJUADCPCYUNQX-MRXNPFEDSA-N	1	2	254.333	3.756	10	30		CHEELO
CC[N@@H+](Cc1ccco1)[C@H](CC#N)c1ccccc1	ZINC000055020326	521400197	/nfs/dbraw/zinc/40/01/97/521400197.db2.gz	ROJUADCPCYUNQX-MRXNPFEDSA-N	1	2	254.333	3.756	10	30		CHEELO
C[NH2+][C@@](C)(C#N)CCCSc1cccc(Cl)c1	ZINC000054186256	522405754	/nfs/dbraw/zinc/40/57/54/522405754.db2.gz	LRKAHXYQPITCLG-CYBMUJFWSA-N	1	2	268.813	3.714	10	30		CHEELO
Cc1ccc(CNc2cc(C)[nH+]c(C)c2C#N)s1	ZINC000157425535	524613099	/nfs/dbraw/zinc/61/30/99/524613099.db2.gz	YZUHMHBBKLZQIU-UHFFFAOYSA-N	1	2	257.362	3.552	10	30		CHEELO
Cc1ccccc1C[NH2+][C@H](CC#N)c1ccccc1	ZINC000055017107	525168542	/nfs/dbraw/zinc/16/85/42/525168542.db2.gz	PRUKJHCACNBHSY-QGZVFWFLSA-N	1	2	250.345	3.740	10	30		CHEELO
N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl	ZINC000061891506	333475061	/nfs/dbraw/zinc/47/50/61/333475061.db2.gz	JRBFTYOWQLKAAO-TVQRCGJNSA-N	1	2	269.175	3.775	10	30		CHEELO