smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1[C@H](N)CCCC[NH3+]	ZINC000575440065	387127922	/nfs/dbraw/zinc/12/79/22/387127922.db2.gz	SGZNHYTZQVURED-GFCCVEGCSA-N	1	3	203.289	1.687	10	30		BDEEHO
CCNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]CC	ZINC000158304739	133500993	/nfs/dbraw/zinc/50/09/93/133500993.db2.gz	VPPKKVOVFDUSCL-NWDGAFQWSA-N	1	3	240.395	1.290	10	30		BDEEHO
CC[NH2+]CC(C)C#CC(=O)OC(C)(C)C	ZINC000685953769	538898910	/nfs/dbraw/zinc/89/89/10/538898910.db2.gz	PVMRQLWBZFEEBG-JTQLQIEISA-N	1	3	211.305	1.577	10	30		BDEEHO
NCC[N@@H+]1CC[C@]2(CC[C@@H](CS)C2)C1	ZINC000095077593	181393009	/nfs/dbraw/zinc/39/30/09/181393009.db2.gz	PEAIAIUAWWIIPW-MNOVXSKESA-N	1	3	214.378	1.367	10	30		BDEEHO
NCC[N@H+]1CC[C@]2(CC[C@@H](CS)C2)C1	ZINC000095077593	181393010	/nfs/dbraw/zinc/39/30/10/181393010.db2.gz	PEAIAIUAWWIIPW-MNOVXSKESA-N	1	3	214.378	1.367	10	30		BDEEHO
CCC[N@H+](CCO)Cc1ccccc1C#CCN	ZINC000049609656	169167647	/nfs/dbraw/zinc/16/76/47/169167647.db2.gz	FWYHQNQHSHZHNV-UHFFFAOYSA-N	1	3	246.354	1.201	10	30		BDEEHO
CCC[N@@H+](CCO)Cc1ccccc1C#CCN	ZINC000049609656	169167649	/nfs/dbraw/zinc/16/76/49/169167649.db2.gz	FWYHQNQHSHZHNV-UHFFFAOYSA-N	1	3	246.354	1.201	10	30		BDEEHO
C[C@H]1CCC[N@@H+]1Cc1ccc(C#CCN)cc1	ZINC000049608283	177110572	/nfs/dbraw/zinc/11/05/72/177110572.db2.gz	PMCPEQVGTOLZMH-ZDUSSCGKSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@H]1CCC[N@H+]1Cc1ccc(C#CCN)cc1	ZINC000049608283	177110573	/nfs/dbraw/zinc/11/05/73/177110573.db2.gz	PMCPEQVGTOLZMH-ZDUSSCGKSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@H]1CCC[N@@H+]1Cc1cccc(C#CCN)c1	ZINC000049608293	177111109	/nfs/dbraw/zinc/11/11/09/177111109.db2.gz	JXDHQHRISUZJRA-ZDUSSCGKSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@H]1CCC[N@H+]1Cc1cccc(C#CCN)c1	ZINC000049608293	177111110	/nfs/dbraw/zinc/11/11/10/177111110.db2.gz	JXDHQHRISUZJRA-ZDUSSCGKSA-N	1	3	228.339	1.981	10	30		BDEEHO
CN1CCC(NC2=[NH+]CCCS2)CC1	ZINC000037267705	348296524	/nfs/dbraw/zinc/29/65/24/348296524.db2.gz	QPKYQTBJBFXKNB-UHFFFAOYSA-N	1	3	213.350	1.163	10	30		BDEEHO
CN/C(=[NH+]/C)SC1CCN(C)CC1	ZINC000575462752	388827907	/nfs/dbraw/zinc/82/79/07/388827907.db2.gz	JJCRUIVDLSSJDN-UHFFFAOYSA-N	1	3	201.339	1.019	10	30		BDEEHO
C=CCNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]C	ZINC000261932383	135264433	/nfs/dbraw/zinc/26/44/33/135264433.db2.gz	BOINCIXWNIQHAA-NWDGAFQWSA-N	1	3	238.379	1.066	10	30		BDEEHO
C=CCOCCCN[C@H](C)[C@H]1CC[NH2+]C1	ZINC000665263089	412205482	/nfs/dbraw/zinc/20/54/82/412205482.db2.gz	GCJNLDZPZDBDQY-NEPJUHHUSA-N	1	3	212.337	1.167	10	30		BDEEHO
CCCN(C)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049608979	169081413	/nfs/dbraw/zinc/08/14/13/169081413.db2.gz	AGHVJAXFODCAKN-UHFFFAOYSA-N	1	3	234.318	1.978	10	30		BDEEHO
C[C@@H](CCC#N)[N@@H+]1CC[C@H](CN(C)C)C1	ZINC000564574721	388878653	/nfs/dbraw/zinc/87/86/53/388878653.db2.gz	FWXSEIPJRUHWFY-NWDGAFQWSA-N	1	3	209.337	1.562	10	30		BDEEHO
C[C@@H](CCC#N)[N@H+]1CC[C@H](CN(C)C)C1	ZINC000564574721	388878657	/nfs/dbraw/zinc/87/86/57/388878657.db2.gz	FWXSEIPJRUHWFY-NWDGAFQWSA-N	1	3	209.337	1.562	10	30		BDEEHO
C#CCNC1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2	ZINC000040768936	166187877	/nfs/dbraw/zinc/18/78/77/166187877.db2.gz	UJNMUMKWGTXPFG-PBWFPOADSA-N	1	3	220.360	1.718	10	30		BDEEHO
C#CCNC1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2	ZINC000040768936	166187879	/nfs/dbraw/zinc/18/78/79/166187879.db2.gz	UJNMUMKWGTXPFG-PBWFPOADSA-N	1	3	220.360	1.718	10	30		BDEEHO
C=CCOCCCN[C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000665263090	412206208	/nfs/dbraw/zinc/20/62/08/412206208.db2.gz	GCJNLDZPZDBDQY-NWDGAFQWSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCCSCC[NH2+]C1CCNCC1	ZINC000596651409	348606192	/nfs/dbraw/zinc/60/61/92/348606192.db2.gz	PIYLPNAEIWAFKL-UHFFFAOYSA-N	1	3	214.378	1.637	10	30		BDEEHO
C=CCCSCCNC1CC[NH2+]CC1	ZINC000596651409	348606195	/nfs/dbraw/zinc/60/61/95/348606195.db2.gz	PIYLPNAEIWAFKL-UHFFFAOYSA-N	1	3	214.378	1.637	10	30		BDEEHO
C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+]	ZINC000601325513	369622020	/nfs/dbraw/zinc/62/20/20/369622020.db2.gz	DMMVHCWDNOKLPQ-RISCZKNCSA-N	1	3	229.327	1.585	10	30		BDEEHO
CCNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]CC	ZINC000262005965	135271223	/nfs/dbraw/zinc/27/12/23/135271223.db2.gz	VPPKKVOVFDUSCL-VXGBXAGGSA-N	1	3	240.395	1.290	10	30		BDEEHO
C=CC[NH2+]CCN1CCN(C2CCCC2)CC1	ZINC000053388898	166398535	/nfs/dbraw/zinc/39/85/35/166398535.db2.gz	GWELRSPZDZFFIC-UHFFFAOYSA-N	1	3	237.391	1.322	10	30		BDEEHO
C=CCOCCCN[C@@H](C)[C@H]1CC[NH2+]C1	ZINC000665263091	412205624	/nfs/dbraw/zinc/20/56/24/412205624.db2.gz	GCJNLDZPZDBDQY-RYUDHWBXSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCOCCC[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000665263799	412207522	/nfs/dbraw/zinc/20/75/22/412207522.db2.gz	UYGUHPMSHFHLBE-STQMWFEESA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCOCCC[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000665263797	412208047	/nfs/dbraw/zinc/20/80/47/412208047.db2.gz	UYGUHPMSHFHLBE-OLZOCXBDSA-N	1	3	226.364	1.557	10	30		BDEEHO
C[NH2+]CC1CCN(CC#Cc2ccccc2)CC1	ZINC000063166257	173338669	/nfs/dbraw/zinc/33/86/69/173338669.db2.gz	ONYIHXMBLAINLJ-UHFFFAOYSA-N	1	3	242.366	1.970	10	30		BDEEHO
C=CCSCCN[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000567041614	326104848	/nfs/dbraw/zinc/10/48/48/326104848.db2.gz	YQSVZFWPWQJZSS-VXGBXAGGSA-N	1	3	228.405	1.883	10	30		BDEEHO
C=CCSCC[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000567041614	326104851	/nfs/dbraw/zinc/10/48/51/326104851.db2.gz	YQSVZFWPWQJZSS-VXGBXAGGSA-N	1	3	228.405	1.883	10	30		BDEEHO
CC(C)CN1CCC[C@@H]1CNC(=[NH2+])NC(C)C	ZINC000130840224	591527169	/nfs/dbraw/zinc/52/71/69/591527169.db2.gz	DXIBOVPERADYIG-GFCCVEGCSA-N	1	3	240.395	1.420	10	30		BDEEHO
CC(C)[N@H+](C)CCOc1ccc(C#CCN)cc1	ZINC000049608588	187357720	/nfs/dbraw/zinc/35/77/20/187357720.db2.gz	ZLOSHRHIRHQFDQ-UHFFFAOYSA-N	1	3	246.354	1.716	10	30		BDEEHO
CC(C)[N@@H+](C)CCOc1ccc(C#CCN)cc1	ZINC000049608588	187357721	/nfs/dbraw/zinc/35/77/21/187357721.db2.gz	ZLOSHRHIRHQFDQ-UHFFFAOYSA-N	1	3	246.354	1.716	10	30		BDEEHO
C#CCN1CCC([NH2+]C[C@@H]2CCN(CC)C2)CC1	ZINC000037644564	187292864	/nfs/dbraw/zinc/29/28/64/187292864.db2.gz	LKFSBQKQDGGDMD-AWEZNQCLSA-N	1	3	249.402	1.015	10	30		BDEEHO
C=CC[NH2+]C[C@H](C)N1CCN([C@H](C)CC)CC1	ZINC000055075190	188049092	/nfs/dbraw/zinc/04/90/92/188049092.db2.gz	FOGJHUHEUVSBQC-KGLIPLIRSA-N	1	3	239.407	1.567	10	30		BDEEHO
C=C(C)COCCN[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000584345339	355363327	/nfs/dbraw/zinc/36/33/27/355363327.db2.gz	NLRUMUUYMJCKSB-STQMWFEESA-N	1	3	226.364	1.557	10	30		BDEEHO
C=C(C)COCC[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000584345339	355363331	/nfs/dbraw/zinc/36/33/31/355363331.db2.gz	NLRUMUUYMJCKSB-STQMWFEESA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCC[C@H](CO)N[C@H]1CCC[NH2+]CC1	ZINC000320307548	386298387	/nfs/dbraw/zinc/29/83/87/386298387.db2.gz	UAEBUPKTLXFYQY-NWDGAFQWSA-N	1	3	212.337	1.045	10	30		BDEEHO
C=CCC[C@H](CO)[NH2+][C@H]1CCCNCC1	ZINC000320307548	386298390	/nfs/dbraw/zinc/29/83/90/386298390.db2.gz	UAEBUPKTLXFYQY-NWDGAFQWSA-N	1	3	212.337	1.045	10	30		BDEEHO
C=CCOCCC[NH2+][C@H]1CCCNCC1	ZINC000665263768	412203037	/nfs/dbraw/zinc/20/30/37/412203037.db2.gz	UKRXRVMQANMQDS-LBPRGKRZSA-N	1	3	212.337	1.311	10	30		BDEEHO
C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#CCN	ZINC000049608280	176110439	/nfs/dbraw/zinc/11/04/39/176110439.db2.gz	NTGHBDRJYYYMNM-CYBMUJFWSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@@H]1CCC[N@H+]1Cc1ccccc1C#CCN	ZINC000049608280	176110442	/nfs/dbraw/zinc/11/04/42/176110442.db2.gz	NTGHBDRJYYYMNM-CYBMUJFWSA-N	1	3	228.339	1.981	10	30		BDEEHO
C=CCSCCN[C@H](C)[C@H]1CC[NH2+]C1	ZINC000400504500	527005422	/nfs/dbraw/zinc/00/54/22/527005422.db2.gz	HNLJNGUDBYEMIX-MNOVXSKESA-N	1	3	214.378	1.493	10	30		BDEEHO
C=CC[NH2+]C[C@H](C)N1CCN(C(C)(C)C)CC1	ZINC000053497527	188046626	/nfs/dbraw/zinc/04/66/26/188046626.db2.gz	MLYDVAZPBJLCTF-ZDUSSCGKSA-N	1	3	239.407	1.567	10	30		BDEEHO
[NH3+]CC1CCN(CC#Cc2ccccc2)CC1	ZINC000051814753	181365574	/nfs/dbraw/zinc/36/55/74/181365574.db2.gz	IOEVQRSVUSDYHI-UHFFFAOYSA-N	1	3	228.339	1.709	10	30		BDEEHO
CN1CCC[C@H]2C[N@H+](CCS)CC[C@H]21	ZINC000227354109	371842176	/nfs/dbraw/zinc/84/21/76/371842176.db2.gz	URRKIBZWJKBKQV-WDEREUQCSA-N	1	3	214.378	1.332	10	30		BDEEHO
CN1CCC[C@H]2C[N@@H+](CCS)CC[C@H]21	ZINC000227354109	371842178	/nfs/dbraw/zinc/84/21/78/371842178.db2.gz	URRKIBZWJKBKQV-WDEREUQCSA-N	1	3	214.378	1.332	10	30		BDEEHO
C=CCOCCN[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000643479547	387850194	/nfs/dbraw/zinc/85/01/94/387850194.db2.gz	QKADATJGFDITRZ-RYUDHWBXSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCOCC[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000643479547	387850200	/nfs/dbraw/zinc/85/02/00/387850200.db2.gz	QKADATJGFDITRZ-RYUDHWBXSA-N	1	3	212.337	1.167	10	30		BDEEHO
C[C@H]1CC[N@H+](Cc2ccccc2C#CCN)C1	ZINC000049609458	177165198	/nfs/dbraw/zinc/16/51/98/177165198.db2.gz	QYHPALOPNQMZKF-ZDUSSCGKSA-N	1	3	228.339	1.839	10	30		BDEEHO
C[C@H]1CC[N@@H+](Cc2ccccc2C#CCN)C1	ZINC000049609458	177165200	/nfs/dbraw/zinc/16/52/00/177165200.db2.gz	QYHPALOPNQMZKF-ZDUSSCGKSA-N	1	3	228.339	1.839	10	30		BDEEHO
C=CCSCCN[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000567041611	326105035	/nfs/dbraw/zinc/10/50/35/326105035.db2.gz	YQSVZFWPWQJZSS-NEPJUHHUSA-N	1	3	228.405	1.883	10	30		BDEEHO
C=CCSCC[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000567041611	326105037	/nfs/dbraw/zinc/10/50/37/326105037.db2.gz	YQSVZFWPWQJZSS-NEPJUHHUSA-N	1	3	228.405	1.883	10	30		BDEEHO
C=C(C)COCCN[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000584345338	355363659	/nfs/dbraw/zinc/36/36/59/355363659.db2.gz	NLRUMUUYMJCKSB-QWHCGFSZSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000584345338	355363662	/nfs/dbraw/zinc/36/36/62/355363662.db2.gz	NLRUMUUYMJCKSB-QWHCGFSZSA-N	1	3	226.364	1.557	10	30		BDEEHO
NCC#Cc1ccccc1C[NH+]1CCCC1	ZINC000049608363	181346323	/nfs/dbraw/zinc/34/63/23/181346323.db2.gz	YDNONMFBNFGLKS-UHFFFAOYSA-N	1	3	214.312	1.593	10	30		BDEEHO
NCC#Cc1ccc(C[NH+]2CCCC2)cc1	ZINC000049608364	181346415	/nfs/dbraw/zinc/34/64/15/181346415.db2.gz	FHOCUJVHBUBXHS-UHFFFAOYSA-N	1	3	214.312	1.593	10	30		BDEEHO
NCCNC(=[NH2+])Nc1c(Cl)cccc1Cl	ZINC000028771690	181390714	/nfs/dbraw/zinc/39/07/14/181390714.db2.gz	WXPANILAMSTVGR-UHFFFAOYSA-N	1	3	247.129	1.488	10	30		BDEEHO
C=CCCOCCN[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000581661408	367662770	/nfs/dbraw/zinc/66/27/70/367662770.db2.gz	ZOIDMUCXVVWAOT-QWHCGFSZSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCCOCC[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000581661408	367662777	/nfs/dbraw/zinc/66/27/77/367662777.db2.gz	ZOIDMUCXVVWAOT-QWHCGFSZSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCOCCN[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000643479548	387850536	/nfs/dbraw/zinc/85/05/36/387850536.db2.gz	QKADATJGFDITRZ-VXGBXAGGSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCOCC[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000643479548	387850539	/nfs/dbraw/zinc/85/05/39/387850539.db2.gz	QKADATJGFDITRZ-VXGBXAGGSA-N	1	3	212.337	1.167	10	30		BDEEHO
CN1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC000037645942	173147325	/nfs/dbraw/zinc/14/73/25/173147325.db2.gz	XQGJZAIDPYCHGP-CQSZACIVSA-N	1	3	229.327	1.600	10	30		BDEEHO
C[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCN)cc1	ZINC000049608282	176108635	/nfs/dbraw/zinc/10/86/35/176108635.db2.gz	PMCPEQVGTOLZMH-CYBMUJFWSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@@H]1CCC[N@H+]1Cc1ccc(C#CCN)cc1	ZINC000049608282	176108637	/nfs/dbraw/zinc/10/86/37/176108637.db2.gz	PMCPEQVGTOLZMH-CYBMUJFWSA-N	1	3	228.339	1.981	10	30		BDEEHO
C=CCSCCN[C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400504494	527005396	/nfs/dbraw/zinc/00/53/96/527005396.db2.gz	HNLJNGUDBYEMIX-GHMZBOCLSA-N	1	3	214.378	1.493	10	30		BDEEHO
[NH3+]CC#Cc1cc(F)ccc1CN1CCCC1	ZINC000049608369	181346359	/nfs/dbraw/zinc/34/63/59/181346359.db2.gz	HOLIUPCNSNHGAT-UHFFFAOYSA-N	1	3	232.302	1.732	10	30		BDEEHO
C#CCCN(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748234	166135610	/nfs/dbraw/zinc/13/56/10/166135610.db2.gz	FMJCAKXORWVUGD-FUNVUKJBSA-N	1	3	206.333	1.615	10	30		BDEEHO
NCC[N@@H+]1CC[C@]2(CC[C@H](CS)C2)C1	ZINC000247744727	344391716	/nfs/dbraw/zinc/39/17/16/344391716.db2.gz	PEAIAIUAWWIIPW-QWRGUYRKSA-N	1	3	214.378	1.367	10	30		BDEEHO
NCC[N@H+]1CC[C@]2(CC[C@H](CS)C2)C1	ZINC000247744727	344391717	/nfs/dbraw/zinc/39/17/17/344391717.db2.gz	PEAIAIUAWWIIPW-QWRGUYRKSA-N	1	3	214.378	1.367	10	30		BDEEHO
C=CCCSCCN[C@H](C)[C@@H]1CC[NH2+]C1	ZINC000596649677	348605178	/nfs/dbraw/zinc/60/51/78/348605178.db2.gz	FACZWWCUCTXYDD-VXGBXAGGSA-N	1	3	228.405	1.883	10	30		BDEEHO
NCC#Cc1cccc(C[NH+]2CCCCC2)c1	ZINC000049608673	181345746	/nfs/dbraw/zinc/34/57/46/181345746.db2.gz	JDNYMLKHNWXJOE-UHFFFAOYSA-N	1	3	228.339	1.983	10	30		BDEEHO
NCC#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1	ZINC000049716605	181345791	/nfs/dbraw/zinc/34/57/91/181345791.db2.gz	MOTUZHNSGUQSFP-JKSUJKDBSA-N	1	3	240.350	1.981	10	30		BDEEHO
NCC#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1	ZINC000049716605	181345794	/nfs/dbraw/zinc/34/57/94/181345794.db2.gz	MOTUZHNSGUQSFP-JKSUJKDBSA-N	1	3	240.350	1.981	10	30		BDEEHO
C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+]	ZINC000601325512	369621530	/nfs/dbraw/zinc/62/15/30/369621530.db2.gz	DMMVHCWDNOKLPQ-FZMZJTMJSA-N	1	3	229.327	1.585	10	30		BDEEHO
CN1CC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000071189102	173142979	/nfs/dbraw/zinc/14/29/79/173142979.db2.gz	SZZOAFGEOWRXGH-HNNXBMFYSA-N	1	3	243.354	1.942	10	30		BDEEHO
CN1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000071189102	173142981	/nfs/dbraw/zinc/14/29/81/173142981.db2.gz	SZZOAFGEOWRXGH-HNNXBMFYSA-N	1	3	243.354	1.942	10	30		BDEEHO
C=CCC[C@@H](CO)N[C@H]1CCC[NH2+]CC1	ZINC000320307550	386298535	/nfs/dbraw/zinc/29/85/35/386298535.db2.gz	UAEBUPKTLXFYQY-RYUDHWBXSA-N	1	3	212.337	1.045	10	30		BDEEHO
C=CCC[C@@H](CO)[NH2+][C@H]1CCCNCC1	ZINC000320307550	386298537	/nfs/dbraw/zinc/29/85/37/386298537.db2.gz	UAEBUPKTLXFYQY-RYUDHWBXSA-N	1	3	212.337	1.045	10	30		BDEEHO
COc1ccc(C#CC[NH3+])cc1CN1CCCC1	ZINC000049608365	175051388	/nfs/dbraw/zinc/05/13/88/175051388.db2.gz	LIMHOMHSCWQHDL-UHFFFAOYSA-N	1	3	244.338	1.601	10	30		BDEEHO
C[C@H]1CC[N@H+](Cc2ccc(C#CCN)cc2)C1	ZINC000049609462	177162811	/nfs/dbraw/zinc/16/28/11/177162811.db2.gz	CXRDYXLUFFPQLJ-ZDUSSCGKSA-N	1	3	228.339	1.839	10	30		BDEEHO
C[C@H]1CC[N@@H+](Cc2ccc(C#CCN)cc2)C1	ZINC000049609462	177162812	/nfs/dbraw/zinc/16/28/12/177162812.db2.gz	CXRDYXLUFFPQLJ-ZDUSSCGKSA-N	1	3	228.339	1.839	10	30		BDEEHO
C[C@H]1CC[N@H+](Cc2cccc(C#CCN)c2)C1	ZINC000049609481	177164911	/nfs/dbraw/zinc/16/49/11/177164911.db2.gz	FOZBSKLEXPTFIQ-ZDUSSCGKSA-N	1	3	228.339	1.839	10	30		BDEEHO
C[C@H]1CC[N@@H+](Cc2cccc(C#CCN)c2)C1	ZINC000049609481	177164912	/nfs/dbraw/zinc/16/49/12/177164912.db2.gz	FOZBSKLEXPTFIQ-ZDUSSCGKSA-N	1	3	228.339	1.839	10	30		BDEEHO
C=C(C)COCCN[C@H](C)[C@H]1CC[NH2+]C1	ZINC000400336038	526656771	/nfs/dbraw/zinc/65/67/71/526656771.db2.gz	DHXYEZJWPJMDPZ-NEPJUHHUSA-N	1	3	212.337	1.167	10	30		BDEEHO
N#CCCCC[N@@H+]1CCCC12CCNCC2	ZINC000757130822	586425955	/nfs/dbraw/zinc/42/59/55/586425955.db2.gz	OEWZUJDOEQKVMJ-UHFFFAOYSA-N	1	3	221.348	1.898	10	30		BDEEHO
N#CCCCC[N@H+]1CCCC12CCNCC2	ZINC000757130822	586425956	/nfs/dbraw/zinc/42/59/56/586425956.db2.gz	OEWZUJDOEQKVMJ-UHFFFAOYSA-N	1	3	221.348	1.898	10	30		BDEEHO
CC(C)CN1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1	ZINC000262658383	535079170	/nfs/dbraw/zinc/07/91/70/535079170.db2.gz	MFTNBJLUNGCOFF-VXGBXAGGSA-N	1	3	238.379	1.044	10	30		BDEEHO
C[C@H]1C[NH+]=C(NCc2ccc(CN(C)C)cc2)N1	ZINC000262658399	135312004	/nfs/dbraw/zinc/31/20/04/135312004.db2.gz	MFZMKPOPMVMECR-NSHDSACASA-N	1	3	246.358	1.186	10	30		BDEEHO
CC[NH+](CC)Cc1ccc(OC)c(C#CCN)c1	ZINC000049608382	169791268	/nfs/dbraw/zinc/79/12/68/169791268.db2.gz	MNIGDYQDBWLQKS-UHFFFAOYSA-N	1	3	246.354	1.847	10	30		BDEEHO
CN1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC000037645943	173115538	/nfs/dbraw/zinc/11/55/38/173115538.db2.gz	XQGJZAIDPYCHGP-AWEZNQCLSA-N	1	3	229.327	1.600	10	30		BDEEHO
CCCCCCCN1CCN([C@H](C)C[NH3+])CC1	ZINC000110460672	188153151	/nfs/dbraw/zinc/15/31/51/188153151.db2.gz	YXZBTEJQVJSUPK-CQSZACIVSA-N	1	3	241.423	1.922	10	30		BDEEHO
C=CCCCN1C[C@@H](OC)C[C@]1(C)C[NH3+]	ZINC000630362445	364082199	/nfs/dbraw/zinc/08/21/99/364082199.db2.gz	MXIAREWGRRMLMS-NWDGAFQWSA-N	1	3	212.337	1.391	10	30		BDEEHO
C=CCCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+]	ZINC000630362446	364082598	/nfs/dbraw/zinc/08/25/98/364082598.db2.gz	MXIAREWGRRMLMS-RYUDHWBXSA-N	1	3	212.337	1.391	10	30		BDEEHO
C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000574069932	364981475	/nfs/dbraw/zinc/98/14/75/364981475.db2.gz	DHBZYIVAOVRWEL-RWMBFGLXSA-N	1	3	226.364	1.291	10	30		BDEEHO
C=CCC[C@H](CO)N[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000574069932	364981477	/nfs/dbraw/zinc/98/14/77/364981477.db2.gz	DHBZYIVAOVRWEL-RWMBFGLXSA-N	1	3	226.364	1.291	10	30		BDEEHO
C#CCNCCN1CCC([NH+]2CCCCC2)CC1	ZINC000053389465	166187196	/nfs/dbraw/zinc/18/71/96/166187196.db2.gz	UMIXFFBIUVGYJS-UHFFFAOYSA-N	1	3	249.402	1.160	10	30		BDEEHO
C=CCCOCCN[C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400330228	527368272	/nfs/dbraw/zinc/36/82/72/527368272.db2.gz	BRAXKTRACRPWQI-NWDGAFQWSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCCSCCN[C@H](C)[C@H]1CC[NH2+]C1	ZINC000596649674	348605233	/nfs/dbraw/zinc/60/52/33/348605233.db2.gz	FACZWWCUCTXYDD-NEPJUHHUSA-N	1	3	228.405	1.883	10	30		BDEEHO
CC(C)[N@H+](CCO)Cc1cccc(C#CCN)c1	ZINC000042480660	188217140	/nfs/dbraw/zinc/21/71/40/188217140.db2.gz	QEGQQFDQDJYRQF-UHFFFAOYSA-N	1	3	246.354	1.200	10	30		BDEEHO
CC(C)[N@@H+](CCO)Cc1cccc(C#CCN)c1	ZINC000042480660	188217142	/nfs/dbraw/zinc/21/71/42/188217142.db2.gz	QEGQQFDQDJYRQF-UHFFFAOYSA-N	1	3	246.354	1.200	10	30		BDEEHO
C=CC[NH2+]C[C@@H](C)N1CCN(C(C)(C)C)CC1	ZINC000053497528	188219790	/nfs/dbraw/zinc/21/97/90/188219790.db2.gz	MLYDVAZPBJLCTF-CYBMUJFWSA-N	1	3	239.407	1.567	10	30		BDEEHO
CCC[N@H+](C)Cc1ccc(F)cc1C#CCN	ZINC000049608981	169081462	/nfs/dbraw/zinc/08/14/62/169081462.db2.gz	VYANFKZUGXINFD-UHFFFAOYSA-N	1	3	234.318	1.978	10	30		BDEEHO
CCC[N@@H+](C)Cc1ccc(F)cc1C#CCN	ZINC000049608981	169081463	/nfs/dbraw/zinc/08/14/63/169081463.db2.gz	VYANFKZUGXINFD-UHFFFAOYSA-N	1	3	234.318	1.978	10	30		BDEEHO
C=CCSCCN[C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400504506	527005277	/nfs/dbraw/zinc/00/52/77/527005277.db2.gz	HNLJNGUDBYEMIX-WDEREUQCSA-N	1	3	214.378	1.493	10	30		BDEEHO
CC(C)[N@H+](C)Cc1cc(C#CCN)cs1	ZINC000043688821	582806057	/nfs/dbraw/zinc/80/60/57/582806057.db2.gz	ZRDVHVAFBIYCQJ-UHFFFAOYSA-N	1	3	222.357	1.899	10	30		BDEEHO
CC(C)[N@@H+](C)Cc1cc(C#CCN)cs1	ZINC000043688821	582806058	/nfs/dbraw/zinc/80/60/58/582806058.db2.gz	ZRDVHVAFBIYCQJ-UHFFFAOYSA-N	1	3	222.357	1.899	10	30		BDEEHO
CN1CCC[C@@H]2C[N@H+](CCS)CC[C@H]21	ZINC000227354100	350493822	/nfs/dbraw/zinc/49/38/22/350493822.db2.gz	URRKIBZWJKBKQV-GHMZBOCLSA-N	1	3	214.378	1.332	10	30		BDEEHO
CN1CCC[C@@H]2C[N@@H+](CCS)CC[C@H]21	ZINC000227354100	350493824	/nfs/dbraw/zinc/49/38/24/350493824.db2.gz	URRKIBZWJKBKQV-GHMZBOCLSA-N	1	3	214.378	1.332	10	30		BDEEHO
C=CCOCCCN[C@H](C)[C@@H]1CC[NH2+]C1	ZINC000665263092	412205610	/nfs/dbraw/zinc/20/56/10/412205610.db2.gz	GCJNLDZPZDBDQY-VXGBXAGGSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCSCCN[C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400504504	527004627	/nfs/dbraw/zinc/00/46/27/527004627.db2.gz	HNLJNGUDBYEMIX-QWRGUYRKSA-N	1	3	214.378	1.493	10	30		BDEEHO
C=CCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000574069930	364981200	/nfs/dbraw/zinc/98/12/00/364981200.db2.gz	DHBZYIVAOVRWEL-FRRDWIJNSA-N	1	3	226.364	1.291	10	30		BDEEHO
C=CCC[C@H](CO)N[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000574069930	364981204	/nfs/dbraw/zinc/98/12/04/364981204.db2.gz	DHBZYIVAOVRWEL-FRRDWIJNSA-N	1	3	226.364	1.291	10	30		BDEEHO
C=CCSCCN[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000567041613	326105072	/nfs/dbraw/zinc/10/50/72/326105072.db2.gz	YQSVZFWPWQJZSS-RYUDHWBXSA-N	1	3	228.405	1.883	10	30		BDEEHO
C=CCSCC[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000567041613	326105074	/nfs/dbraw/zinc/10/50/74/326105074.db2.gz	YQSVZFWPWQJZSS-RYUDHWBXSA-N	1	3	228.405	1.883	10	30		BDEEHO
CC(C)[N@H+](CCO)Cc1ccccc1C#CCN	ZINC000042480650	188397008	/nfs/dbraw/zinc/39/70/08/188397008.db2.gz	NHTQDVHWZXINTN-UHFFFAOYSA-N	1	3	246.354	1.200	10	30		BDEEHO
CC(C)[N@@H+](CCO)Cc1ccccc1C#CCN	ZINC000042480650	188397010	/nfs/dbraw/zinc/39/70/10/188397010.db2.gz	NHTQDVHWZXINTN-UHFFFAOYSA-N	1	3	246.354	1.200	10	30		BDEEHO
NCC#Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2	ZINC000049716599	181346730	/nfs/dbraw/zinc/34/67/30/181346730.db2.gz	NBRGBIYAIBOZEQ-XJKSGUPXSA-N	1	3	240.350	1.981	10	30		BDEEHO
NCC#Cc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1C2	ZINC000049716599	181346732	/nfs/dbraw/zinc/34/67/32/181346732.db2.gz	NBRGBIYAIBOZEQ-XJKSGUPXSA-N	1	3	240.350	1.981	10	30		BDEEHO
[NH3+]CC#Cc1ccc(CN2CCCC2)c(F)c1	ZINC000049608367	181346510	/nfs/dbraw/zinc/34/65/10/181346510.db2.gz	DELULWKKQGAGSC-UHFFFAOYSA-N	1	3	232.302	1.732	10	30		BDEEHO
C[NH+]=C(NC1CC1)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000262014504	135273282	/nfs/dbraw/zinc/27/32/82/135273282.db2.gz	XLZIIBVTUMKYGF-CMPLNLGQSA-N	1	3	238.379	1.043	10	30		BDEEHO
C=CCOCCC[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000665263798	412207809	/nfs/dbraw/zinc/20/78/09/412207809.db2.gz	UYGUHPMSHFHLBE-QWHCGFSZSA-N	1	3	226.364	1.557	10	30		BDEEHO
CC(C)CN1CCC[C@@H]1CNC(=[NH2+])NC1CC1	ZINC000130556815	591481979	/nfs/dbraw/zinc/48/19/79/591481979.db2.gz	CZUDJIWBQHLFBT-GFCCVEGCSA-N	1	3	238.379	1.174	10	30		BDEEHO
COCC(=N)Nc1cccc([C@H](C)[NH3+])c1C	ZINC000039110390	343385368	/nfs/dbraw/zinc/38/53/68/343385368.db2.gz	PQIMZXGHROTQAI-VIFPVBQESA-N	1	3	221.304	1.650	10	30		BDEEHO
C[C@H](CCC#N)[N@@H+]1CC[C@H](CN(C)C)C1	ZINC000564574723	388878363	/nfs/dbraw/zinc/87/83/63/388878363.db2.gz	FWXSEIPJRUHWFY-VXGBXAGGSA-N	1	3	209.337	1.562	10	30		BDEEHO
C[C@H](CCC#N)[N@H+]1CC[C@H](CN(C)C)C1	ZINC000564574723	388878364	/nfs/dbraw/zinc/87/83/64/388878364.db2.gz	FWXSEIPJRUHWFY-VXGBXAGGSA-N	1	3	209.337	1.562	10	30		BDEEHO
C=C(C)COCCN[C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400336039	526656637	/nfs/dbraw/zinc/65/66/37/526656637.db2.gz	DHXYEZJWPJMDPZ-NWDGAFQWSA-N	1	3	212.337	1.167	10	30		BDEEHO
CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC1(C)C	ZINC000261965203	535596650	/nfs/dbraw/zinc/59/66/50/535596650.db2.gz	AXPYALNMDPMAFM-WDEREUQCSA-N	1	3	238.379	1.174	10	30		BDEEHO
CN(Cc1cc(C#CC[NH3+])cs1)C1CC1	ZINC000043688886	582806136	/nfs/dbraw/zinc/80/61/36/582806136.db2.gz	LOXNKSRATJYERH-UHFFFAOYSA-N	1	3	220.341	1.653	10	30		BDEEHO
C=CCCOCCN[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000581661406	367663081	/nfs/dbraw/zinc/66/30/81/367663081.db2.gz	ZOIDMUCXVVWAOT-CHWSQXEVSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCCOCC[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000581661406	367663089	/nfs/dbraw/zinc/66/30/89/367663089.db2.gz	ZOIDMUCXVVWAOT-CHWSQXEVSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCN(CC=C)CCCOC1CC[NH2+]CC1	ZINC000104383391	166333891	/nfs/dbraw/zinc/33/38/91/166333891.db2.gz	YVLHYOJOSJGIIS-UHFFFAOYSA-N	1	3	238.375	1.819	10	30		BDEEHO
CN1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000071189111	173113557	/nfs/dbraw/zinc/11/35/57/173113557.db2.gz	IQHUDPHOLXHXMN-OAHLLOKOSA-N	1	3	243.354	1.942	10	30		BDEEHO
CN1CC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1	ZINC000071189111	173113559	/nfs/dbraw/zinc/11/35/59/173113559.db2.gz	IQHUDPHOLXHXMN-OAHLLOKOSA-N	1	3	243.354	1.942	10	30		BDEEHO
C[C@@H]1CC[N@H+](Cc2ccc(C#CCN)cc2)C1	ZINC000049609459	176174167	/nfs/dbraw/zinc/17/41/67/176174167.db2.gz	CXRDYXLUFFPQLJ-CYBMUJFWSA-N	1	3	228.339	1.839	10	30		BDEEHO
C[C@@H]1CC[N@@H+](Cc2ccc(C#CCN)cc2)C1	ZINC000049609459	176174169	/nfs/dbraw/zinc/17/41/69/176174169.db2.gz	CXRDYXLUFFPQLJ-CYBMUJFWSA-N	1	3	228.339	1.839	10	30		BDEEHO
C=C(C)COCCN[C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400336040	526656128	/nfs/dbraw/zinc/65/61/28/526656128.db2.gz	DHXYEZJWPJMDPZ-RYUDHWBXSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCCOCCN[C@H](C)[C@H]1CC[NH2+]C1	ZINC000400330226	527367473	/nfs/dbraw/zinc/36/74/73/527367473.db2.gz	BRAXKTRACRPWQI-NEPJUHHUSA-N	1	3	212.337	1.167	10	30		BDEEHO
CC#CCN(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000119183906	134225568	/nfs/dbraw/zinc/22/55/68/134225568.db2.gz	WXROGOPBBOMTKQ-ZDUSSCGKSA-N	1	3	238.375	1.034	10	30		BDEEHO
NCC#Cc1csc(C[NH+]2CCCC2)c1	ZINC000043692077	582806229	/nfs/dbraw/zinc/80/62/29/582806229.db2.gz	SRMKRCPYODEZTE-UHFFFAOYSA-N	1	3	220.341	1.654	10	30		BDEEHO
C=CCCOCCN[C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400330230	527367665	/nfs/dbraw/zinc/36/76/65/527367665.db2.gz	BRAXKTRACRPWQI-RYUDHWBXSA-N	1	3	212.337	1.167	10	30		BDEEHO
C[NH2+]Cc1cccc(NC(=N)COC)c1C	ZINC000039110385	343385295	/nfs/dbraw/zinc/38/52/95/343385295.db2.gz	MXMYUQPWGBTXCK-UHFFFAOYSA-N	1	3	221.304	1.350	10	30		BDEEHO
C=C(C)COCCN[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000584345337	355363709	/nfs/dbraw/zinc/36/37/09/355363709.db2.gz	NLRUMUUYMJCKSB-OLZOCXBDSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=C(C)COCC[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000584345337	355363711	/nfs/dbraw/zinc/36/37/11/355363711.db2.gz	NLRUMUUYMJCKSB-OLZOCXBDSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCCOCCN[C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000581661409	367662333	/nfs/dbraw/zinc/66/23/33/367662333.db2.gz	ZOIDMUCXVVWAOT-STQMWFEESA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCCOCC[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000581661409	367662336	/nfs/dbraw/zinc/66/23/36/367662336.db2.gz	ZOIDMUCXVVWAOT-STQMWFEESA-N	1	3	226.364	1.557	10	30		BDEEHO
C[C@@H](CCC#N)[N@@H+]1CC[C@@H](CN(C)C)C1	ZINC000564574722	388879423	/nfs/dbraw/zinc/87/94/23/388879423.db2.gz	FWXSEIPJRUHWFY-RYUDHWBXSA-N	1	3	209.337	1.562	10	30		BDEEHO
C[C@@H](CCC#N)[N@H+]1CC[C@@H](CN(C)C)C1	ZINC000564574722	388879425	/nfs/dbraw/zinc/87/94/25/388879425.db2.gz	FWXSEIPJRUHWFY-RYUDHWBXSA-N	1	3	209.337	1.562	10	30		BDEEHO
C=C(C)COCCN[C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400336041	526655667	/nfs/dbraw/zinc/65/56/67/526655667.db2.gz	DHXYEZJWPJMDPZ-VXGBXAGGSA-N	1	3	212.337	1.167	10	30		BDEEHO
CC[NH2+]CC(C)C#CC(=O)OC(C)(C)C	ZINC000685953770	538898383	/nfs/dbraw/zinc/89/83/83/538898383.db2.gz	PVMRQLWBZFEEBG-SNVBAGLBSA-N	1	3	211.305	1.577	10	30		BDEEHO
CCC[N@H+](CCO)Cc1ccc(C#CCN)cc1	ZINC000049609657	169167532	/nfs/dbraw/zinc/16/75/32/169167532.db2.gz	YWOUDQDUZKWGIS-UHFFFAOYSA-N	1	3	246.354	1.201	10	30		BDEEHO
CCC[N@@H+](CCO)Cc1ccc(C#CCN)cc1	ZINC000049609657	169167533	/nfs/dbraw/zinc/16/75/33/169167533.db2.gz	YWOUDQDUZKWGIS-UHFFFAOYSA-N	1	3	246.354	1.201	10	30		BDEEHO
C=CCOCCN[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000643479545	387850673	/nfs/dbraw/zinc/85/06/73/387850673.db2.gz	QKADATJGFDITRZ-NEPJUHHUSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCOCC[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000643479545	387850676	/nfs/dbraw/zinc/85/06/76/387850676.db2.gz	QKADATJGFDITRZ-NEPJUHHUSA-N	1	3	212.337	1.167	10	30		BDEEHO
CCC[N@H+](C)Cc1ccc(F)c(C#CCN)c1	ZINC000049608982	169080909	/nfs/dbraw/zinc/08/09/09/169080909.db2.gz	PMSLOBXPBDHQGV-UHFFFAOYSA-N	1	3	234.318	1.978	10	30		BDEEHO
CCC[N@@H+](C)Cc1ccc(F)c(C#CCN)c1	ZINC000049608982	169080912	/nfs/dbraw/zinc/08/09/12/169080912.db2.gz	PMSLOBXPBDHQGV-UHFFFAOYSA-N	1	3	234.318	1.978	10	30		BDEEHO
CC#CCN(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000119183755	134225452	/nfs/dbraw/zinc/22/54/52/134225452.db2.gz	WXROGOPBBOMTKQ-CYBMUJFWSA-N	1	3	238.375	1.034	10	30		BDEEHO
C=CCCSCCN[C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000596649675	348605154	/nfs/dbraw/zinc/60/51/54/348605154.db2.gz	FACZWWCUCTXYDD-NWDGAFQWSA-N	1	3	228.405	1.883	10	30		BDEEHO
C[N@H+]1C[C@H]2CN(CCCCC#N)C[C@H]2C1	ZINC000193612547	387859033	/nfs/dbraw/zinc/85/90/33/387859033.db2.gz	MQQZGLWUDXYQHW-TXEJJXNPSA-N	1	3	207.321	1.174	10	30		BDEEHO
C[N@@H+]1C[C@H]2CN(CCCCC#N)C[C@H]2C1	ZINC000193612547	387859035	/nfs/dbraw/zinc/85/90/35/387859035.db2.gz	MQQZGLWUDXYQHW-TXEJJXNPSA-N	1	3	207.321	1.174	10	30		BDEEHO
CN1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000071189110	173143686	/nfs/dbraw/zinc/14/36/86/173143686.db2.gz	IQHUDPHOLXHXMN-HNNXBMFYSA-N	1	3	243.354	1.942	10	30		BDEEHO
CN1CC[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1	ZINC000071189110	173143687	/nfs/dbraw/zinc/14/36/87/173143687.db2.gz	IQHUDPHOLXHXMN-HNNXBMFYSA-N	1	3	243.354	1.942	10	30		BDEEHO
COc1ccc(C[N@H+](C)C2CC2)cc1C#CCN	ZINC000049608887	175094707	/nfs/dbraw/zinc/09/47/07/175094707.db2.gz	BLDYBKIUPSMMCK-UHFFFAOYSA-N	1	3	244.338	1.600	10	30		BDEEHO
COc1ccc(C[N@@H+](C)C2CC2)cc1C#CCN	ZINC000049608887	175094708	/nfs/dbraw/zinc/09/47/08/175094708.db2.gz	BLDYBKIUPSMMCK-UHFFFAOYSA-N	1	3	244.338	1.600	10	30		BDEEHO
C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000574069931	364980965	/nfs/dbraw/zinc/98/09/65/364980965.db2.gz	DHBZYIVAOVRWEL-JHJVBQTASA-N	1	3	226.364	1.291	10	30		BDEEHO
C=CCC[C@H](CO)N[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000574069931	364980969	/nfs/dbraw/zinc/98/09/69/364980969.db2.gz	DHBZYIVAOVRWEL-JHJVBQTASA-N	1	3	226.364	1.291	10	30		BDEEHO
N#Cc1ccccc1[C@@H](N)CCCC[NH3+]	ZINC000575440394	387132566	/nfs/dbraw/zinc/13/25/66/387132566.db2.gz	SGZNHYTZQVURED-LBPRGKRZSA-N	1	3	203.289	1.687	10	30		BDEEHO
C[C@H](CCC#N)[N@@H+]1CC[C@@H](CN(C)C)C1	ZINC000564574704	388878611	/nfs/dbraw/zinc/87/86/11/388878611.db2.gz	FWXSEIPJRUHWFY-NEPJUHHUSA-N	1	3	209.337	1.562	10	30		BDEEHO
C[C@H](CCC#N)[N@H+]1CC[C@@H](CN(C)C)C1	ZINC000564574704	388878616	/nfs/dbraw/zinc/87/86/16/388878616.db2.gz	FWXSEIPJRUHWFY-NEPJUHHUSA-N	1	3	209.337	1.562	10	30		BDEEHO
C[C@H](C#N)CNC1CCN(c2cc[nH+]cc2)CC1	ZINC000054180540	132363888	/nfs/dbraw/zinc/36/38/88/132363888.db2.gz	ROBAQXHWJGXMBE-GFCCVEGCSA-N	1	3	244.342	1.800	10	30		BDEEHO
COCCN(C)Cc1ccccc1C#CC[NH3+]	ZINC000049609870	174280451	/nfs/dbraw/zinc/28/04/51/174280451.db2.gz	CRBJNECHZVCITI-UHFFFAOYSA-N	1	3	232.327	1.075	10	30		BDEEHO
C=CCC[C@@H](CO)N[C@@H]1CCC[NH2+]CC1	ZINC000320307546	386299048	/nfs/dbraw/zinc/29/90/48/386299048.db2.gz	UAEBUPKTLXFYQY-NEPJUHHUSA-N	1	3	212.337	1.045	10	30		BDEEHO
C=CCC[C@@H](CO)[NH2+][C@@H]1CCCNCC1	ZINC000320307546	386299050	/nfs/dbraw/zinc/29/90/50/386299050.db2.gz	UAEBUPKTLXFYQY-NEPJUHHUSA-N	1	3	212.337	1.045	10	30		BDEEHO
C[N@H+]1C[C@H]2CN(CCCC(C)(C)C#N)C[C@H]2C1	ZINC000193653728	387859854	/nfs/dbraw/zinc/85/98/54/387859854.db2.gz	UUHYNFLWBXJFNE-BETUJISGSA-N	1	3	235.375	1.810	10	30		BDEEHO
C[N@@H+]1C[C@H]2CN(CCCC(C)(C)C#N)C[C@H]2C1	ZINC000193653728	387859858	/nfs/dbraw/zinc/85/98/58/387859858.db2.gz	UUHYNFLWBXJFNE-BETUJISGSA-N	1	3	235.375	1.810	10	30		BDEEHO
C[C@@H]1C[NH+]=C(NCc2ccc(CN(C)C)cc2)N1	ZINC000262658397	135311916	/nfs/dbraw/zinc/31/19/16/135311916.db2.gz	MFZMKPOPMVMECR-LLVKDONJSA-N	1	3	246.358	1.186	10	30		BDEEHO
C[C@H]1CCC[N@@H+]1Cc1ccccc1C#CCN	ZINC000049608281	177110201	/nfs/dbraw/zinc/11/02/01/177110201.db2.gz	NTGHBDRJYYYMNM-ZDUSSCGKSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@H]1CCC[N@H+]1Cc1ccccc1C#CCN	ZINC000049608281	177110202	/nfs/dbraw/zinc/11/02/02/177110202.db2.gz	NTGHBDRJYYYMNM-ZDUSSCGKSA-N	1	3	228.339	1.981	10	30		BDEEHO
CC(C)CN1CCC[C@@H]1CNC1=[NH+]C[C@H](C)N1	ZINC000262658382	535078532	/nfs/dbraw/zinc/07/85/32/535078532.db2.gz	MFTNBJLUNGCOFF-NWDGAFQWSA-N	1	3	238.379	1.044	10	30		BDEEHO
C=C(C)COCCN[C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000584345336	355363575	/nfs/dbraw/zinc/36/35/75/355363575.db2.gz	NLRUMUUYMJCKSB-CHWSQXEVSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=C(C)COCC[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000584345336	355363581	/nfs/dbraw/zinc/36/35/81/355363581.db2.gz	NLRUMUUYMJCKSB-CHWSQXEVSA-N	1	3	226.364	1.557	10	30		BDEEHO
NCC#Cc1cccc(C[NH+]2CCCC2)c1	ZINC000049608368	181346586	/nfs/dbraw/zinc/34/65/86/181346586.db2.gz	DFMTUIRAGBLIQU-UHFFFAOYSA-N	1	3	214.312	1.593	10	30		BDEEHO
C=CCCCN1C[C@H](OC)C[C@]1(C)C[NH3+]	ZINC000630362447	364082437	/nfs/dbraw/zinc/08/24/37/364082437.db2.gz	MXIAREWGRRMLMS-VXGBXAGGSA-N	1	3	212.337	1.391	10	30		BDEEHO
NCC[N@@H+]1CC[C@@]2(CC[C@@H](CS)C2)C1	ZINC000095077592	181393744	/nfs/dbraw/zinc/39/37/44/181393744.db2.gz	PEAIAIUAWWIIPW-GHMZBOCLSA-N	1	3	214.378	1.367	10	30		BDEEHO
NCC[N@H+]1CC[C@@]2(CC[C@@H](CS)C2)C1	ZINC000095077592	181393747	/nfs/dbraw/zinc/39/37/47/181393747.db2.gz	PEAIAIUAWWIIPW-GHMZBOCLSA-N	1	3	214.378	1.367	10	30		BDEEHO
CCC[N@H+](CCO)Cc1cccc(C#CCN)c1	ZINC000049609662	169167253	/nfs/dbraw/zinc/16/72/53/169167253.db2.gz	GNKFQQNABWMEQY-UHFFFAOYSA-N	1	3	246.354	1.201	10	30		BDEEHO
CCC[N@@H+](CCO)Cc1cccc(C#CCN)c1	ZINC000049609662	169167254	/nfs/dbraw/zinc/16/72/54/169167254.db2.gz	GNKFQQNABWMEQY-UHFFFAOYSA-N	1	3	246.354	1.201	10	30		BDEEHO
NCC[N@@H+]1CC[C@@]2(CC[C@H](CS)C2)C1	ZINC000247744728	344391743	/nfs/dbraw/zinc/39/17/43/344391743.db2.gz	PEAIAIUAWWIIPW-WDEREUQCSA-N	1	3	214.378	1.367	10	30		BDEEHO
NCC[N@H+]1CC[C@@]2(CC[C@H](CS)C2)C1	ZINC000247744728	344391745	/nfs/dbraw/zinc/39/17/45/344391745.db2.gz	PEAIAIUAWWIIPW-WDEREUQCSA-N	1	3	214.378	1.367	10	30		BDEEHO
C=CCCSCCN[C@@H](C)[C@H]1CC[NH2+]C1	ZINC000596649676	348605249	/nfs/dbraw/zinc/60/52/49/348605249.db2.gz	FACZWWCUCTXYDD-RYUDHWBXSA-N	1	3	228.405	1.883	10	30		BDEEHO
C=CCCCN1C[C@H](OC)C[C@@]1(C)C[NH3+]	ZINC000630362444	364082732	/nfs/dbraw/zinc/08/27/32/364082732.db2.gz	MXIAREWGRRMLMS-NEPJUHHUSA-N	1	3	212.337	1.391	10	30		BDEEHO
CCC[N@H+](C)Cc1ccc(OC)c(C#CCN)c1	ZINC000049608977	169080761	/nfs/dbraw/zinc/08/07/61/169080761.db2.gz	ZGKAJHSHLAFLJR-UHFFFAOYSA-N	1	3	246.354	1.847	10	30		BDEEHO
CCC[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1	ZINC000049608977	169080764	/nfs/dbraw/zinc/08/07/64/169080764.db2.gz	ZGKAJHSHLAFLJR-UHFFFAOYSA-N	1	3	246.354	1.847	10	30		BDEEHO
C[N@@H+]1C[C@H]2CN(CCCSCC#N)C[C@H]2C1	ZINC000193598447	173197074	/nfs/dbraw/zinc/19/70/74/173197074.db2.gz	VUMMVAJPIPKUES-TXEJJXNPSA-N	1	3	239.388	1.127	10	30		BDEEHO
C[N@H+]1C[C@H]2CN(CCCSCC#N)C[C@H]2C1	ZINC000193598447	173197071	/nfs/dbraw/zinc/19/70/71/173197071.db2.gz	VUMMVAJPIPKUES-TXEJJXNPSA-N	1	3	239.388	1.127	10	30		BDEEHO
CCC[N@H+](C)Cc1cc(C#CCN)cs1	ZINC000043690950	582806339	/nfs/dbraw/zinc/80/63/39/582806339.db2.gz	BRMWNGMBKYJNCI-UHFFFAOYSA-N	1	3	222.357	1.900	10	30		BDEEHO
CCC[N@@H+](C)Cc1cc(C#CCN)cs1	ZINC000043690950	582806341	/nfs/dbraw/zinc/80/63/41/582806341.db2.gz	BRMWNGMBKYJNCI-UHFFFAOYSA-N	1	3	222.357	1.900	10	30		BDEEHO
NCC#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1	ZINC000049716600	181346545	/nfs/dbraw/zinc/34/65/45/181346545.db2.gz	FMJKMUARDRFBMW-JKSUJKDBSA-N	1	3	240.350	1.981	10	30		BDEEHO
NCC#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1	ZINC000049716600	181346546	/nfs/dbraw/zinc/34/65/46/181346546.db2.gz	FMJKMUARDRFBMW-JKSUJKDBSA-N	1	3	240.350	1.981	10	30		BDEEHO
CCC[N@H+](C)CCOc1ccc(C#CCN)cc1	ZINC000049608973	169079090	/nfs/dbraw/zinc/07/90/90/169079090.db2.gz	YPZVEIWRILERIX-UHFFFAOYSA-N	1	3	246.354	1.717	10	30		BDEEHO
CCC[N@@H+](C)CCOc1ccc(C#CCN)cc1	ZINC000049608973	169079092	/nfs/dbraw/zinc/07/90/92/169079092.db2.gz	YPZVEIWRILERIX-UHFFFAOYSA-N	1	3	246.354	1.717	10	30		BDEEHO
C=CCC[C@H](CO)N[C@@H]1CCC[NH2+]CC1	ZINC000320307552	386299581	/nfs/dbraw/zinc/29/95/81/386299581.db2.gz	UAEBUPKTLXFYQY-VXGBXAGGSA-N	1	3	212.337	1.045	10	30		BDEEHO
C=CCC[C@H](CO)[NH2+][C@@H]1CCCNCC1	ZINC000320307552	386299587	/nfs/dbraw/zinc/29/95/87/386299587.db2.gz	UAEBUPKTLXFYQY-VXGBXAGGSA-N	1	3	212.337	1.045	10	30		BDEEHO
C=CCOCCN[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000643479546	387850121	/nfs/dbraw/zinc/85/01/21/387850121.db2.gz	QKADATJGFDITRZ-NWDGAFQWSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCOCC[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000643479546	387850126	/nfs/dbraw/zinc/85/01/26/387850126.db2.gz	QKADATJGFDITRZ-NWDGAFQWSA-N	1	3	212.337	1.167	10	30		BDEEHO
C=CCNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]C	ZINC000261932385	135264533	/nfs/dbraw/zinc/26/45/33/135264533.db2.gz	BOINCIXWNIQHAA-VXGBXAGGSA-N	1	3	238.379	1.066	10	30		BDEEHO
C=CCOCCC[NH2+][C@@H]1CCCNCC1	ZINC000665263767	412202987	/nfs/dbraw/zinc/20/29/87/412202987.db2.gz	UKRXRVMQANMQDS-GFCCVEGCSA-N	1	3	212.337	1.311	10	30		BDEEHO
C[C@@H]1CCC[N@@H+]1Cc1cccc(C#CCN)c1	ZINC000049608292	176110734	/nfs/dbraw/zinc/11/07/34/176110734.db2.gz	JXDHQHRISUZJRA-CYBMUJFWSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@@H]1CCC[N@H+]1Cc1cccc(C#CCN)c1	ZINC000049608292	176110736	/nfs/dbraw/zinc/11/07/36/176110736.db2.gz	JXDHQHRISUZJRA-CYBMUJFWSA-N	1	3	228.339	1.981	10	30		BDEEHO
C[C@@H]1CC[N@H+](Cc2ccccc2C#CCN)C1	ZINC000049609456	176175722	/nfs/dbraw/zinc/17/57/22/176175722.db2.gz	QYHPALOPNQMZKF-CYBMUJFWSA-N	1	3	228.339	1.839	10	30		BDEEHO
C[C@@H]1CC[N@@H+](Cc2ccccc2C#CCN)C1	ZINC000049609456	176175723	/nfs/dbraw/zinc/17/57/23/176175723.db2.gz	QYHPALOPNQMZKF-CYBMUJFWSA-N	1	3	228.339	1.839	10	30		BDEEHO
C=CCCOCCN[C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400330232	527368095	/nfs/dbraw/zinc/36/80/95/527368095.db2.gz	BRAXKTRACRPWQI-VXGBXAGGSA-N	1	3	212.337	1.167	10	30		BDEEHO
COCC(=N)Nc1cccc([C@@H](C)[NH3+])c1C	ZINC000039110389	343385214	/nfs/dbraw/zinc/38/52/14/343385214.db2.gz	PQIMZXGHROTQAI-SECBINFHSA-N	1	3	221.304	1.650	10	30		BDEEHO
C[C@@H](C#N)CNC1CCN(c2cc[nH+]cc2)CC1	ZINC000054180543	132363754	/nfs/dbraw/zinc/36/37/54/132363754.db2.gz	ROBAQXHWJGXMBE-LBPRGKRZSA-N	1	3	244.342	1.800	10	30		BDEEHO
C=CCSCCN[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000567041612	326105157	/nfs/dbraw/zinc/10/51/57/326105157.db2.gz	YQSVZFWPWQJZSS-NWDGAFQWSA-N	1	3	228.405	1.883	10	30		BDEEHO
C=CCSCC[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000567041612	326105161	/nfs/dbraw/zinc/10/51/61/326105161.db2.gz	YQSVZFWPWQJZSS-NWDGAFQWSA-N	1	3	228.405	1.883	10	30		BDEEHO
NCC#Cc1ccccc1OCC[NH+]1CCCC1	ZINC000037547913	181348604	/nfs/dbraw/zinc/34/86/04/181348604.db2.gz	BHINTSKRKQQKOI-UHFFFAOYSA-N	1	3	244.338	1.471	10	30		BDEEHO
C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000574069933	364981430	/nfs/dbraw/zinc/98/14/30/364981430.db2.gz	DHBZYIVAOVRWEL-YNEHKIRRSA-N	1	3	226.364	1.291	10	30		BDEEHO
C=CCC[C@H](CO)N[C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000574069933	364981433	/nfs/dbraw/zinc/98/14/33/364981433.db2.gz	DHBZYIVAOVRWEL-YNEHKIRRSA-N	1	3	226.364	1.291	10	30		BDEEHO
C[NH+]=C(NC1CC1)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000262014505	135273432	/nfs/dbraw/zinc/27/34/32/135273432.db2.gz	XLZIIBVTUMKYGF-ZYHUDNBSSA-N	1	3	238.379	1.043	10	30		BDEEHO
C=CCOCCC[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000665263796	412208040	/nfs/dbraw/zinc/20/80/40/412208040.db2.gz	UYGUHPMSHFHLBE-CHWSQXEVSA-N	1	3	226.364	1.557	10	30		BDEEHO
C[C@@H]1CC[N@H+](Cc2cccc(C#CCN)c2)C1	ZINC000049609479	176176562	/nfs/dbraw/zinc/17/65/62/176176562.db2.gz	FOZBSKLEXPTFIQ-CYBMUJFWSA-N	1	3	228.339	1.839	10	30		BDEEHO
C[C@@H]1CC[N@@H+](Cc2cccc(C#CCN)c2)C1	ZINC000049609479	176176563	/nfs/dbraw/zinc/17/65/63/176176563.db2.gz	FOZBSKLEXPTFIQ-CYBMUJFWSA-N	1	3	228.339	1.839	10	30		BDEEHO
CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC1(C)C	ZINC000261965198	535549414	/nfs/dbraw/zinc/54/94/14/535549414.db2.gz	AXPYALNMDPMAFM-GHMZBOCLSA-N	1	3	238.379	1.174	10	30		BDEEHO
[NH3+]CC#Cc1cc(CN2CCCC2)ccc1F	ZINC000049608370	181346752	/nfs/dbraw/zinc/34/67/52/181346752.db2.gz	MZAQFTAKLGBTGP-UHFFFAOYSA-N	1	3	232.302	1.732	10	30		BDEEHO
C=CCCOCCN[C@H](C)[C@H]1CCC[NH2+]C1	ZINC000581661407	367662610	/nfs/dbraw/zinc/66/26/10/367662610.db2.gz	ZOIDMUCXVVWAOT-OLZOCXBDSA-N	1	3	226.364	1.557	10	30		BDEEHO
C=CCCOCC[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000581661407	367662615	/nfs/dbraw/zinc/66/26/15/367662615.db2.gz	ZOIDMUCXVVWAOT-OLZOCXBDSA-N	1	3	226.364	1.557	10	30		BDEEHO
CCC[N@H+](C)CCOc1cccc(C#CCN)c1	ZINC000049608978	169079377	/nfs/dbraw/zinc/07/93/77/169079377.db2.gz	SUXYTDBINHWPAX-UHFFFAOYSA-N	1	3	246.354	1.717	10	30		BDEEHO
CCC[N@@H+](C)CCOc1cccc(C#CCN)c1	ZINC000049608978	169079380	/nfs/dbraw/zinc/07/93/80/169079380.db2.gz	SUXYTDBINHWPAX-UHFFFAOYSA-N	1	3	246.354	1.717	10	30		BDEEHO
CN1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000071189103	173112612	/nfs/dbraw/zinc/11/26/12/173112612.db2.gz	SZZOAFGEOWRXGH-OAHLLOKOSA-N	1	3	243.354	1.942	10	30		BDEEHO
CN1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000071189103	173112615	/nfs/dbraw/zinc/11/26/15/173112615.db2.gz	SZZOAFGEOWRXGH-OAHLLOKOSA-N	1	3	243.354	1.942	10	30		BDEEHO
CN(C)Cc1ccc(CNC2=[NH+]CCN2C)cc1	ZINC000262631190	536001157	/nfs/dbraw/zinc/00/11/57/536001157.db2.gz	FTSVBDPRBQNRQX-UHFFFAOYSA-N	1	3	246.358	1.139	10	30		BDEEHO