smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C#N	ZINC000601326240	369621093	/nfs/dbraw/zinc/62/10/93/369621093.db2.gz	KWXNJMYJWXQOTP-WFASDCNBSA-N	2	0	243.354	1.893	10	30		BDEERP
N#Cc1cc([C@H]([NH3+])CCC[NH3+])ccc1F	ZINC000575439048	387083609	/nfs/dbraw/zinc/08/36/09/387083609.db2.gz	OUPGGGAPZAAHLG-LLVKDONJSA-N	2	0	207.252	1.436	10	30		BDEERP
N#Cc1ccccc1[C@H]([NH3+])CCCC[NH3+]	ZINC000575440065	387127918	/nfs/dbraw/zinc/12/79/18/387127918.db2.gz	SGZNHYTZQVURED-GFCCVEGCSA-N	2	0	203.289	1.687	10	30		BDEERP
CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]CC	ZINC000158304739	133500991	/nfs/dbraw/zinc/50/09/91/133500991.db2.gz	VPPKKVOVFDUSCL-NWDGAFQWSA-N	2	0	240.395	1.290	10	30		BDEERP
C[NH+](C)C(C)(C)CN[C@H]1CCCC[C@H]1C#N	ZINC000054827511	172397741	/nfs/dbraw/zinc/39/77/41/172397741.db2.gz	LZFIRZNYAYSOJU-RYUDHWBXSA-N	2	0	223.364	1.999	10	30		BDEERP
C[NH+](C)C(C)(C)CN[C@H]1CCCC[C@@H]1C#N	ZINC000054827507	172398675	/nfs/dbraw/zinc/39/86/75/172398675.db2.gz	LZFIRZNYAYSOJU-NEPJUHHUSA-N	2	0	223.364	1.999	10	30		BDEERP
COCC[N@H+](C)Cc1cccc(C#CC[NH3+])c1	ZINC000049609876	174280441	/nfs/dbraw/zinc/28/04/41/174280441.db2.gz	PBYOHKXMBDSOCO-UHFFFAOYSA-N	2	0	232.327	1.075	10	30		BDEERP
COc1ccc(C#CC[NH3+])cc1C[N@H+](C)C(C)C	ZINC000049608591	175051137	/nfs/dbraw/zinc/05/11/37/175051137.db2.gz	SSFAWZYQBOLMGC-UHFFFAOYSA-N	2	0	246.354	1.846	10	30		BDEERP
COc1cccc(CSC(=[NH2+])NC(N)=[NH2+])c1	ZINC000014966617	175270545	/nfs/dbraw/zinc/27/05/45/175270545.db2.gz	ULXMKEMTSDYWLV-UHFFFAOYSA-N	2	0	238.316	1.137	10	30		BDEERP
C=C(Br)CN1C[C@@H](C[NH3+])C[C@H]1C	ZINC000126882992	342799515	/nfs/dbraw/zinc/79/95/15/342799515.db2.gz	OOFRYVUJAFOZAV-RKDXNWHRSA-N	2	0	233.153	1.564	10	30		BDEERP
C=C(Cl)CN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C	ZINC000167975300	351140529	/nfs/dbraw/zinc/14/05/29/351140529.db2.gz	XNMAGHCLNXDXPM-GUBZILKMSA-N	2	0	202.729	1.797	10	30		BDEERP
N#CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1	ZINC000037918011	181035966	/nfs/dbraw/zinc/03/59/66/181035966.db2.gz	HLAMJFKBBKQREY-OLZOCXBDSA-N	2	0	221.348	1.754	10	30		BDEERP
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+]	ZINC000602023560	369738564	/nfs/dbraw/zinc/73/85/64/369738564.db2.gz	XRNDDBNHQKNEIS-RISCZKNCSA-N	2	0	229.327	1.585	10	30		BDEERP
CCC[N@H+](CCO)Cc1ccccc1C#CC[NH3+]	ZINC000049609656	169167642	/nfs/dbraw/zinc/16/76/42/169167642.db2.gz	FWYHQNQHSHZHNV-UHFFFAOYSA-N	2	0	246.354	1.201	10	30		BDEERP
C[C@H]1CCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1	ZINC000049608283	177110570	/nfs/dbraw/zinc/11/05/70/177110570.db2.gz	PMCPEQVGTOLZMH-ZDUSSCGKSA-N	2	0	228.339	1.981	10	30		BDEERP
C[C@H]1CCC[N@@H+]1Cc1cccc(C#CC[NH3+])c1	ZINC000049608293	177111107	/nfs/dbraw/zinc/11/11/07/177111107.db2.gz	JXDHQHRISUZJRA-ZDUSSCGKSA-N	2	0	228.339	1.981	10	30		BDEERP
C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2C#N)CC1	ZINC000054827634	640413669	/nfs/dbraw/zinc/41/36/69/640413669.db2.gz	QHZHHANWNOCZGK-STQMWFEESA-N	2	0	221.348	1.610	10	30		BDEERP
N#Cc1cc([C@H]([NH3+])CCCC[NH3+])ccc1F	ZINC000575439961	387125845	/nfs/dbraw/zinc/12/58/45/387125845.db2.gz	ZPHHLIISOHJJMV-GFCCVEGCSA-N	2	0	221.279	1.826	10	30		BDEERP
N#Cc1cccc([C@@H]([NH3+])CCCC[NH3+])c1	ZINC000575440155	387127237	/nfs/dbraw/zinc/12/72/37/387127237.db2.gz	LCUKSCCKXHXOPB-LBPRGKRZSA-N	2	0	203.289	1.687	10	30		BDEERP
CN/C(=[NH+]/C)SC1CC[NH+](C)CC1	ZINC000575462752	388827904	/nfs/dbraw/zinc/82/79/04/388827904.db2.gz	JJCRUIVDLSSJDN-UHFFFAOYSA-N	2	0	201.339	1.019	10	30		BDEERP
C=CCOCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000665263089	412205476	/nfs/dbraw/zinc/20/54/76/412205476.db2.gz	GCJNLDZPZDBDQY-NEPJUHHUSA-N	2	0	212.337	1.167	10	30		BDEERP
CN(C)C(=[NH2+])NC(=[NH2+])NSc1ccccc1	ZINC000042966102	172353432	/nfs/dbraw/zinc/35/34/32/172353432.db2.gz	UHFXHOWVJXBTCN-UHFFFAOYSA-N	2	0	237.332	1.094	10	30		BDEERP
C=C(Cl)CN(CC)C1CC[NH2+]CC1	ZINC000037469529	187252075	/nfs/dbraw/zinc/25/20/75/187252075.db2.gz	UUFBYYKLWCMEOQ-UHFFFAOYSA-N	2	0	202.729	1.813	10	30		BDEERP
C=CC[N@@H+](C)C1CCN(CCn2cccn2)CC1	ZINC000105863429	136363725	/nfs/dbraw/zinc/36/37/25/136363725.db2.gz	LNADKRMVUJPACG-UHFFFAOYSA-N	2	0	248.374	1.465	10	30		BDEERP
C=CC[NH2+]C[C@H](C)N(C)CC1CC[NH+](C)CC1	ZINC000063124377	187361988	/nfs/dbraw/zinc/36/19/88/187361988.db2.gz	QNFFJTYCKGQBIN-ZDUSSCGKSA-N	2	0	239.407	1.424	10	30		BDEERP
CCC[N@H+](C)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049608979	169081409	/nfs/dbraw/zinc/08/14/09/169081409.db2.gz	AGHVJAXFODCAKN-UHFFFAOYSA-N	2	0	234.318	1.978	10	30		BDEERP
CCCN[C@H](C#N)CCN(C)CCC[NH+](C)C	ZINC000104193521	169283790	/nfs/dbraw/zinc/28/37/90/169283790.db2.gz	VWIRHSAKFVIXNQ-ZDUSSCGKSA-N	2	0	240.395	1.152	10	30		BDEERP
C#CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000195516153	387922765	/nfs/dbraw/zinc/92/27/65/387922765.db2.gz	AJLYIYGZTIIUIJ-CYBMUJFWSA-N	2	0	229.327	1.757	10	30		BDEERP
C[NH+]=C(NCC1CCC1)NC[C@@H]1CCC[N@@H+]1C	ZINC000262701647	135314914	/nfs/dbraw/zinc/31/49/14/135314914.db2.gz	IFBJFQDWFOQTCN-LBPRGKRZSA-N	2	0	238.379	1.046	10	30		BDEERP
C=CCOCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000665263090	412206202	/nfs/dbraw/zinc/20/62/02/412206202.db2.gz	GCJNLDZPZDBDQY-NWDGAFQWSA-N	2	0	212.337	1.167	10	30		BDEERP
C[C@@H]1CC[N@H+](Cc2ccc(C#CC[NH3+])cc2F)C1	ZINC000049609475	176173405	/nfs/dbraw/zinc/17/34/05/176173405.db2.gz	JQFGKWZXESTUTK-GFCCVEGCSA-N	2	0	246.329	1.978	10	30		BDEERP
C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC[NH2+]C1	ZINC000400331502	225000771	/nfs/dbraw/zinc/00/07/71/225000771.db2.gz	BYMFWWJQAIDHPO-FZMZJTMJSA-N	2	0	229.327	1.646	10	30		BDEERP
C=C(Br)CN1C[C@@H](C[NH3+])C[C@@H]1C	ZINC000126883211	342799533	/nfs/dbraw/zinc/79/95/33/342799533.db2.gz	OOFRYVUJAFOZAV-DTWKUNHWSA-N	2	0	233.153	1.564	10	30		BDEERP
N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1	ZINC000381301031	344492963	/nfs/dbraw/zinc/49/29/63/344492963.db2.gz	AMLKNNYMSRGVCD-SOUVJXGZSA-N	2	0	241.338	1.727	10	30		BDEERP
NC(=[NH2+])NC(=[NH2+])SC1CCCCC1	ZINC000215778364	349924159	/nfs/dbraw/zinc/92/41/59/349924159.db2.gz	NHJZXDUQIBFMTF-UHFFFAOYSA-N	2	0	200.311	1.260	10	30		BDEERP
C=CCCSCC[NH2+]C1CC[NH2+]CC1	ZINC000596651409	348606189	/nfs/dbraw/zinc/60/61/89/348606189.db2.gz	PIYLPNAEIWAFKL-UHFFFAOYSA-N	2	0	214.378	1.637	10	30		BDEERP
N#Cc1ccc([C@@H]2CCN(CC[NH3+])C2)cc1	ZINC000616614531	350834897	/nfs/dbraw/zinc/83/48/97/350834897.db2.gz	NTOLTIXWDHHLNN-CYBMUJFWSA-N	2	0	215.300	1.306	10	30		BDEERP
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+]	ZINC000601325513	369622013	/nfs/dbraw/zinc/62/20/13/369622013.db2.gz	DMMVHCWDNOKLPQ-RISCZKNCSA-N	2	0	229.327	1.585	10	30		BDEERP
CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]CC	ZINC000262005965	135271221	/nfs/dbraw/zinc/27/12/21/135271221.db2.gz	VPPKKVOVFDUSCL-VXGBXAGGSA-N	2	0	240.395	1.290	10	30		BDEERP
C=CC[NH2+]CCN1CC[NH+](C2CCCC2)CC1	ZINC000053388898	166398529	/nfs/dbraw/zinc/39/85/29/166398529.db2.gz	GWELRSPZDZFFIC-UHFFFAOYSA-N	2	0	237.391	1.322	10	30		BDEERP
C=CCOCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000665263091	412205622	/nfs/dbraw/zinc/20/56/22/412205622.db2.gz	GCJNLDZPZDBDQY-RYUDHWBXSA-N	2	0	212.337	1.167	10	30		BDEERP
C=CCOCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000665263799	412207519	/nfs/dbraw/zinc/20/75/19/412207519.db2.gz	UYGUHPMSHFHLBE-STQMWFEESA-N	2	0	226.364	1.557	10	30		BDEERP
C=CCOCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000665263797	412208044	/nfs/dbraw/zinc/20/80/44/412208044.db2.gz	UYGUHPMSHFHLBE-OLZOCXBDSA-N	2	0	226.364	1.557	10	30		BDEERP
C[NH2+]CC1CC[NH+](CC#Cc2ccccc2)CC1	ZINC000063166257	173338668	/nfs/dbraw/zinc/33/86/68/173338668.db2.gz	ONYIHXMBLAINLJ-UHFFFAOYSA-N	2	0	242.366	1.970	10	30		BDEERP
COc1ccc(C#CC[NH3+])cc1C[N@H+](C)C1CC1	ZINC000049608886	175051341	/nfs/dbraw/zinc/05/13/41/175051341.db2.gz	RRGVIIRSEQDYOH-UHFFFAOYSA-N	2	0	244.338	1.600	10	30		BDEERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)C	ZINC000130840224	591527163	/nfs/dbraw/zinc/52/71/63/591527163.db2.gz	DXIBOVPERADYIG-GFCCVEGCSA-N	2	0	240.395	1.420	10	30		BDEERP
CC[NH+]=C(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)N(C)C	ZINC000158379218	631878577	/nfs/dbraw/zinc/87/85/77/631878577.db2.gz	DYSXRLXWUIVUTM-NWDGAFQWSA-N	2	0	240.395	1.242	10	30		BDEERP
C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC[NH2+]C1	ZINC000404643729	398293220	/nfs/dbraw/zinc/29/32/20/398293220.db2.gz	NDUZVZXSTBHJPG-GWCFXTLKSA-N	2	0	247.317	1.785	10	30		BDEERP
C=C(Br)CN1CC[C@@H](C[NH3+])C1	ZINC000050249296	187357635	/nfs/dbraw/zinc/35/76/35/187357635.db2.gz	YSKNTSAGNZVVJA-QMMMGPOBSA-N	2	0	219.126	1.176	10	30		BDEERP
C#CCN1CCC([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1	ZINC000037644564	187292857	/nfs/dbraw/zinc/29/28/57/187292857.db2.gz	LKFSBQKQDGGDMD-AWEZNQCLSA-N	3	0	249.402	1.015	10	30		BDEERP
C=C(C)COCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000584345339	355363320	/nfs/dbraw/zinc/36/33/20/355363320.db2.gz	NLRUMUUYMJCKSB-STQMWFEESA-N	2	0	226.364	1.557	10	30		BDEERP
N#Cc1ccc(CNC2CC[NH2+]CC2)cc1F	ZINC000335024230	384011140	/nfs/dbraw/zinc/01/11/40/384011140.db2.gz	BDAYHJPPZOGKFK-UHFFFAOYSA-N	2	0	233.290	1.539	10	30		BDEERP
C=CCOCCC[NH2+][C@H]1CCC[NH2+]CC1	ZINC000665263768	412203033	/nfs/dbraw/zinc/20/30/33/412203033.db2.gz	UKRXRVMQANMQDS-LBPRGKRZSA-N	2	0	212.337	1.311	10	30		BDEERP
C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#CC[NH3+]	ZINC000049608280	176110435	/nfs/dbraw/zinc/11/04/35/176110435.db2.gz	NTGHBDRJYYYMNM-CYBMUJFWSA-N	2	0	228.339	1.981	10	30		BDEERP
C=CCSCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000400504500	527005419	/nfs/dbraw/zinc/00/54/19/527005419.db2.gz	HNLJNGUDBYEMIX-MNOVXSKESA-N	2	0	214.378	1.493	10	30		BDEERP
C=C(Cl)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000193656191	347399939	/nfs/dbraw/zinc/39/99/39/347399939.db2.gz	XQYAZICZZAGEGB-AOOOYVTPSA-N	2	0	200.713	1.232	10	30		BDEERP
C=CC[NH2+]C[C@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000053497527	188046623	/nfs/dbraw/zinc/04/66/23/188046623.db2.gz	MLYDVAZPBJLCTF-ZDUSSCGKSA-N	2	0	239.407	1.567	10	30		BDEERP
C=C(Cl)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000306439687	359943312	/nfs/dbraw/zinc/94/33/12/359943312.db2.gz	ANYVCNMOASYROK-NXEZZACHSA-N	2	0	200.713	1.280	10	30		BDEERP
[NH3+]CC#Cc1cccc(C[NH+]2CCSCC2)c1	ZINC000049608772	181346595	/nfs/dbraw/zinc/34/65/95/181346595.db2.gz	FXFRQYPCLYWCAL-UHFFFAOYSA-N	2	0	246.379	1.546	10	30		BDEERP
[NH3+]CC1CC[NH+](CC#Cc2ccccc2)CC1	ZINC000051814753	181365572	/nfs/dbraw/zinc/36/55/72/181365572.db2.gz	IOEVQRSVUSDYHI-UHFFFAOYSA-N	2	0	228.339	1.709	10	30		BDEERP
C[C@H]1CC[N@H+](Cc2ccccc2C#CC[NH3+])C1	ZINC000049609458	177165195	/nfs/dbraw/zinc/16/51/95/177165195.db2.gz	QYHPALOPNQMZKF-ZDUSSCGKSA-N	2	0	228.339	1.839	10	30		BDEERP
N#Cc1cccc([C@H]2CCCN(CC[NH3+])C2)c1	ZINC000616610063	343520039	/nfs/dbraw/zinc/52/00/39/343520039.db2.gz	FMVNVYRKPBZDAE-AWEZNQCLSA-N	2	0	229.327	1.696	10	30		BDEERP
C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000584345338	355363656	/nfs/dbraw/zinc/36/36/56/355363656.db2.gz	NLRUMUUYMJCKSB-QWHCGFSZSA-N	2	0	226.364	1.557	10	30		BDEERP
[NH3+]CC#Cc1ccccc1C[NH+]1CCCC1	ZINC000049608363	181346320	/nfs/dbraw/zinc/34/63/20/181346320.db2.gz	YDNONMFBNFGLKS-UHFFFAOYSA-N	2	0	214.312	1.593	10	30		BDEERP
[NH3+]CC#Cc1ccc(C[NH+]2CCCC2)cc1	ZINC000049608364	181346414	/nfs/dbraw/zinc/34/64/14/181346414.db2.gz	FHOCUJVHBUBXHS-UHFFFAOYSA-N	2	0	214.312	1.593	10	30		BDEERP
[NH2+]=C(NCC[NH3+])Nc1c(Cl)cccc1Cl	ZINC000028771690	181390712	/nfs/dbraw/zinc/39/07/12/181390712.db2.gz	WXPANILAMSTVGR-UHFFFAOYSA-N	2	0	247.129	1.488	10	30		BDEERP
C=CCCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000581661408	367662763	/nfs/dbraw/zinc/66/27/63/367662763.db2.gz	ZOIDMUCXVVWAOT-QWHCGFSZSA-N	2	0	226.364	1.557	10	30		BDEERP
N#Cc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1	ZINC000575438636	387131613	/nfs/dbraw/zinc/13/16/13/387131613.db2.gz	MLZQTTKBLKCUHY-LBPRGKRZSA-N	2	0	203.289	1.687	10	30		BDEERP
C=CCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000643479548	387850533	/nfs/dbraw/zinc/85/05/33/387850533.db2.gz	QKADATJGFDITRZ-VXGBXAGGSA-N	2	0	212.337	1.167	10	30		BDEERP
C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC000037645942	173147318	/nfs/dbraw/zinc/14/73/18/173147318.db2.gz	XQGJZAIDPYCHGP-CQSZACIVSA-N	2	0	229.327	1.600	10	30		BDEERP
COc1ccc(CSC(=[NH2+])NC(N)=[NH2+])cc1	ZINC000014966634	175114035	/nfs/dbraw/zinc/11/40/35/175114035.db2.gz	DWVCKMGUSJEQPZ-UHFFFAOYSA-N	2	0	238.316	1.137	10	30		BDEERP
C[C@@H]1CCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1	ZINC000049608282	176108632	/nfs/dbraw/zinc/10/86/32/176108632.db2.gz	PMCPEQVGTOLZMH-CYBMUJFWSA-N	2	0	228.339	1.981	10	30		BDEERP
C=CCSCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400504494	527005389	/nfs/dbraw/zinc/00/53/89/527005389.db2.gz	HNLJNGUDBYEMIX-GHMZBOCLSA-N	2	0	214.378	1.493	10	30		BDEERP
CC[NH+](CC)Cc1cc(C#CC[NH3+])cs1	ZINC000043688792	631811007	/nfs/dbraw/zinc/81/10/07/631811007.db2.gz	JKWYTSPGCSAZGY-UHFFFAOYSA-N	2	0	222.357	1.900	10	30		BDEERP
N#C[C@H]1CCC[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000054825747	181069941	/nfs/dbraw/zinc/06/99/41/181069941.db2.gz	WFONYVCMTRRFHH-OUCADQQQSA-N	2	0	233.359	1.753	10	30		BDEERP
N/C(CCCC[N@@H+]1CCCC[C@H]1CCO)=N/O	ZINC000049580137	181182841	/nfs/dbraw/zinc/18/28/41/181182841.db2.gz	ODBDVXBRMRHXLV-NSHDSACASA-N	2	0	243.351	1.140	10	30		BDEERP
CC(C)[NH+]1CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1	ZINC000675060308	538485815	/nfs/dbraw/zinc/48/58/15/538485815.db2.gz	WJXBOJSWBIAWSO-JSGCOSHPSA-N	2	0	238.375	1.531	10	30		BDEERP
CC(C)[NH+]1CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1	ZINC000675060309	538486158	/nfs/dbraw/zinc/48/61/58/538486158.db2.gz	WJXBOJSWBIAWSO-OCCSQVGLSA-N	2	0	238.375	1.531	10	30		BDEERP
[NH3+]CC#Cc1cc(F)ccc1C[NH+]1CCCC1	ZINC000049608369	181346358	/nfs/dbraw/zinc/34/63/58/181346358.db2.gz	HOLIUPCNSNHGAT-UHFFFAOYSA-N	2	0	232.302	1.732	10	30		BDEERP
N#Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1F	ZINC000335025839	384011389	/nfs/dbraw/zinc/01/13/89/384011389.db2.gz	MMTXEHZTOCCHHA-ZDUSSCGKSA-N	2	0	247.317	1.929	10	30		BDEERP
C#CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000195516152	387921757	/nfs/dbraw/zinc/92/17/57/387921757.db2.gz	AJLYIYGZTIIUIJ-ZDUSSCGKSA-N	2	0	229.327	1.757	10	30		BDEERP
CNC(=[NH2+])N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000270325101	135364921	/nfs/dbraw/zinc/36/49/21/135364921.db2.gz	XUVLOJPCWNZMNT-YPMHNXCESA-N	2	0	246.358	1.184	10	30		BDEERP
CNC(=[NH2+])N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1	ZINC000270325099	135365083	/nfs/dbraw/zinc/36/50/83/135365083.db2.gz	XUVLOJPCWNZMNT-DGCLKSJQSA-N	2	0	246.358	1.184	10	30		BDEERP
C#CCC[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748234	166135604	/nfs/dbraw/zinc/13/56/04/166135604.db2.gz	FMJCAKXORWVUGD-FUNVUKJBSA-N	2	0	206.333	1.615	10	30		BDEERP
C=CCOCCC[NH2+]C1CCC([NH3+])CC1	ZINC000665263409	412205977	/nfs/dbraw/zinc/20/59/77/412205977.db2.gz	LUQXHMFVXRLFMX-UHFFFAOYSA-N	2	0	212.337	1.439	10	30		BDEERP
N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1	ZINC000381301033	344492782	/nfs/dbraw/zinc/49/27/82/344492782.db2.gz	AMLKNNYMSRGVCD-ZNMIVQPWSA-N	2	0	241.338	1.727	10	30		BDEERP
C=CCCSCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000596649677	348605174	/nfs/dbraw/zinc/60/51/74/348605174.db2.gz	FACZWWCUCTXYDD-VXGBXAGGSA-N	2	0	228.405	1.883	10	30		BDEERP
N#CCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1	ZINC000037918010	181036137	/nfs/dbraw/zinc/03/61/37/181036137.db2.gz	HLAMJFKBBKQREY-CHWSQXEVSA-N	2	0	221.348	1.754	10	30		BDEERP
N#Cc1cccc(CN2CCC[C@H]2C[NH3+])c1	ZINC000168786055	134247925	/nfs/dbraw/zinc/24/79/25/134247925.db2.gz	IJLUPYSEMYCDTH-ZDUSSCGKSA-N	2	0	215.300	1.481	10	30		BDEERP
[NH3+]CC#Cc1cccc(C[NH+]2CCCCC2)c1	ZINC000049608673	181345742	/nfs/dbraw/zinc/34/57/42/181345742.db2.gz	JDNYMLKHNWXJOE-UHFFFAOYSA-N	2	0	228.339	1.983	10	30		BDEERP
[NH3+]CC#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1	ZINC000049716605	181345784	/nfs/dbraw/zinc/34/57/84/181345784.db2.gz	MOTUZHNSGUQSFP-JKSUJKDBSA-N	2	0	240.350	1.981	10	30		BDEERP
C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+]	ZINC000601325512	369621520	/nfs/dbraw/zinc/62/15/20/369621520.db2.gz	DMMVHCWDNOKLPQ-FZMZJTMJSA-N	2	0	229.327	1.585	10	30		BDEERP
C#CC[N@@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748523	166170280	/nfs/dbraw/zinc/17/02/80/166170280.db2.gz	NSMBRJXYBMYMFE-FUNVUKJBSA-N	2	0	206.333	1.615	10	30		BDEERP
N#CCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1	ZINC000037918013	181036067	/nfs/dbraw/zinc/03/60/67/181036067.db2.gz	HLAMJFKBBKQREY-STQMWFEESA-N	2	0	221.348	1.754	10	30		BDEERP
CC(C)[NH+]1CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1	ZINC000675060310	538486294	/nfs/dbraw/zinc/48/62/94/538486294.db2.gz	WJXBOJSWBIAWSO-TZMCWYRMSA-N	2	0	238.375	1.531	10	30		BDEERP
N#Cc1ccc([C@H]([NH3+])CCCC[NH3+])cc1	ZINC000575438798	387119168	/nfs/dbraw/zinc/11/91/68/387119168.db2.gz	MLZQTTKBLKCUHY-GFCCVEGCSA-N	2	0	203.289	1.687	10	30		BDEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC1CCCC1	ZINC000263239056	135341732	/nfs/dbraw/zinc/34/17/32/135341732.db2.gz	KNNTXDBWLHGLDA-LBPRGKRZSA-N	2	0	238.379	1.188	10	30		BDEERP
C[NH+](C)Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049608754	172501694	/nfs/dbraw/zinc/50/16/94/172501694.db2.gz	OFFZGQDBVIPIBB-UHFFFAOYSA-N	2	0	206.264	1.198	10	30		BDEERP
COc1ccc(C#CC[NH3+])cc1C[NH+]1CCCC1	ZINC000049608365	175051387	/nfs/dbraw/zinc/05/13/87/175051387.db2.gz	LIMHOMHSCWQHDL-UHFFFAOYSA-N	2	0	244.338	1.601	10	30		BDEERP
C[C@H]1CC[N@H+](Cc2ccc(C#CC[NH3+])cc2)C1	ZINC000049609462	177162809	/nfs/dbraw/zinc/16/28/09/177162809.db2.gz	CXRDYXLUFFPQLJ-ZDUSSCGKSA-N	2	0	228.339	1.839	10	30		BDEERP
C[C@H]1CC[N@H+](Cc2cccc(C#CC[NH3+])c2)C1	ZINC000049609481	177164909	/nfs/dbraw/zinc/16/49/09/177164909.db2.gz	FOZBSKLEXPTFIQ-ZDUSSCGKSA-N	2	0	228.339	1.839	10	30		BDEERP
C=C(C)COCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000400336038	526656764	/nfs/dbraw/zinc/65/67/64/526656764.db2.gz	DHXYEZJWPJMDPZ-NEPJUHHUSA-N	2	0	212.337	1.167	10	30		BDEERP
N#CCCCC[N@@H+]1CCCC12CC[NH2+]CC2	ZINC000757130822	586425951	/nfs/dbraw/zinc/42/59/51/586425951.db2.gz	OEWZUJDOEQKVMJ-UHFFFAOYSA-N	2	0	221.348	1.898	10	30		BDEERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1	ZINC000262658383	535079165	/nfs/dbraw/zinc/07/91/65/535079165.db2.gz	MFTNBJLUNGCOFF-VXGBXAGGSA-N	2	0	238.379	1.044	10	30		BDEERP
C[NH+](C)CC#CC#CC[NH+]1CCCCC1	ZINC000584623904	358291898	/nfs/dbraw/zinc/29/18/98/358291898.db2.gz	DYEARUJZAADFNY-UHFFFAOYSA-N	2	0	204.317	1.041	10	30		BDEERP
C=C(Br)CN1CCCC[C@@H](C[NH3+])C1	ZINC000306477271	360123483	/nfs/dbraw/zinc/12/34/83/360123483.db2.gz	KMQJKFCDSFOZMB-JTQLQIEISA-N	2	0	247.180	1.956	10	30		BDEERP
C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+]	ZINC000602023558	369737674	/nfs/dbraw/zinc/73/76/74/369737674.db2.gz	XRNDDBNHQKNEIS-FZMZJTMJSA-N	2	0	229.327	1.585	10	30		BDEERP
C[C@H]1C[NH+]=C(NCc2ccc(C[NH+](C)C)cc2)N1	ZINC000262658399	135312002	/nfs/dbraw/zinc/31/20/02/135312002.db2.gz	MFZMKPOPMVMECR-NSHDSACASA-N	2	0	246.358	1.186	10	30		BDEERP
CC[NH+](CC)Cc1ccc(OC)c(C#CC[NH3+])c1	ZINC000049608382	169791266	/nfs/dbraw/zinc/79/12/66/169791266.db2.gz	MNIGDYQDBWLQKS-UHFFFAOYSA-N	2	0	246.354	1.847	10	30		BDEERP
C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1	ZINC000037645943	173115528	/nfs/dbraw/zinc/11/55/28/173115528.db2.gz	XQGJZAIDPYCHGP-AWEZNQCLSA-N	2	0	229.327	1.600	10	30		BDEERP
C[C@H]1CC[N@H+](Cc2ccc(C#CC[NH3+])cc2F)C1	ZINC000049609477	177163726	/nfs/dbraw/zinc/16/37/26/177163726.db2.gz	JQFGKWZXESTUTK-LBPRGKRZSA-N	2	0	246.329	1.978	10	30		BDEERP
C[C@H]1CC(N=NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1	ZINC000306903972	351319463	/nfs/dbraw/zinc/31/94/63/351319463.db2.gz	JKWKPNSOMXPYBR-HPCMQXCGSA-N	2	0	245.330	1.120	10	30		BDEERP
C#CC[NH2+]C[C@H](C)N(C)C1CC[NH+](CC)CC1	ZINC000053496711	187532307	/nfs/dbraw/zinc/53/23/07/187532307.db2.gz	HIWLJEMSTSXZIM-ZDUSSCGKSA-N	2	0	237.391	1.014	10	30		BDEERP
CCCCCCC[NH+]1CCN([C@H](C)C[NH3+])CC1	ZINC000110460672	188153148	/nfs/dbraw/zinc/15/31/48/188153148.db2.gz	YXZBTEJQVJSUPK-CQSZACIVSA-N	2	0	241.423	1.922	10	30		BDEERP
C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000574069932	364981472	/nfs/dbraw/zinc/98/14/72/364981472.db2.gz	DHBZYIVAOVRWEL-RWMBFGLXSA-N	2	0	226.364	1.291	10	30		BDEERP
CC[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[C@@H]1C	ZINC000262858745	135322039	/nfs/dbraw/zinc/32/20/39/135322039.db2.gz	YTEQVXBONOANQN-WDEREUQCSA-N	2	0	240.395	1.290	10	30		BDEERP
C#CC[NH2+]CCN1CCC([NH+]2CCCCC2)CC1	ZINC000053389465	166187192	/nfs/dbraw/zinc/18/71/92/166187192.db2.gz	UMIXFFBIUVGYJS-UHFFFAOYSA-N	2	0	249.402	1.160	10	30		BDEERP
C#CC[NH2+]C[C@@H](C)N(C)C1CC[NH+](CC)CC1	ZINC000053496712	166187469	/nfs/dbraw/zinc/18/74/69/166187469.db2.gz	HIWLJEMSTSXZIM-CYBMUJFWSA-N	2	0	237.391	1.014	10	30		BDEERP
C=CCCOCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400330228	527368265	/nfs/dbraw/zinc/36/82/65/527368265.db2.gz	BRAXKTRACRPWQI-NWDGAFQWSA-N	2	0	212.337	1.167	10	30		BDEERP
N#Cc1cccc([C@H]2CCN(CC[NH3+])C2)c1	ZINC000616612048	349472558	/nfs/dbraw/zinc/47/25/58/349472558.db2.gz	KZFRYWQUPQOGBD-ZDUSSCGKSA-N	2	0	215.300	1.306	10	30		BDEERP
C=CCCSCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000596649674	348605231	/nfs/dbraw/zinc/60/52/31/348605231.db2.gz	FACZWWCUCTXYDD-NEPJUHHUSA-N	2	0	228.405	1.883	10	30		BDEERP
CC(C)[N@H+](CCO)Cc1cccc(C#CC[NH3+])c1	ZINC000042480660	188217136	/nfs/dbraw/zinc/21/71/36/188217136.db2.gz	QEGQQFDQDJYRQF-UHFFFAOYSA-N	2	0	246.354	1.200	10	30		BDEERP
C=CC[NH2+]C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000053497528	188219789	/nfs/dbraw/zinc/21/97/89/188219789.db2.gz	MLYDVAZPBJLCTF-CYBMUJFWSA-N	2	0	239.407	1.567	10	30		BDEERP
Cc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1C#N	ZINC000600710951	369559774	/nfs/dbraw/zinc/55/97/74/369559774.db2.gz	QYQIGXRLKASXOL-RISCZKNCSA-N	2	0	229.327	1.646	10	30		BDEERP
CCC[N@H+](C)Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049608981	169081456	/nfs/dbraw/zinc/08/14/56/169081456.db2.gz	VYANFKZUGXINFD-UHFFFAOYSA-N	2	0	234.318	1.978	10	30		BDEERP
C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N[C@@H]1C[C@H]1C	ZINC000262812314	135319968	/nfs/dbraw/zinc/31/99/68/135319968.db2.gz	OIYCROQJGBNDAM-JFGNBEQYSA-N	2	0	238.379	1.043	10	30		BDEERP
C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CC[NH2+]C1	ZINC000400331504	225001457	/nfs/dbraw/zinc/00/14/57/225001457.db2.gz	BYMFWWJQAIDHPO-SMDDNHRTSA-N	2	0	229.327	1.646	10	30		BDEERP
C=CCSCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400504506	527005271	/nfs/dbraw/zinc/00/52/71/527005271.db2.gz	HNLJNGUDBYEMIX-WDEREUQCSA-N	2	0	214.378	1.493	10	30		BDEERP
CC(C)[N@H+](C)Cc1cc(C#CC[NH3+])cs1	ZINC000043688821	582806054	/nfs/dbraw/zinc/80/60/54/582806054.db2.gz	ZRDVHVAFBIYCQJ-UHFFFAOYSA-N	2	0	222.357	1.899	10	30		BDEERP
C[N@@H+]1CCC[C@@H]2C[NH+](CCS)CC[C@H]21	ZINC000227354100	350493803	/nfs/dbraw/zinc/49/38/03/350493803.db2.gz	URRKIBZWJKBKQV-GHMZBOCLSA-N	2	0	214.378	1.332	10	30		BDEERP
NC(=[NH2+])NC(=[NH2+])SC1CCCCCC1	ZINC000215752309	371625472	/nfs/dbraw/zinc/62/54/72/371625472.db2.gz	XTQSKNAXPFHWJC-UHFFFAOYSA-N	2	0	214.338	1.651	10	30		BDEERP
CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCC/C(N)=N/O	ZINC000049580258	171112865	/nfs/dbraw/zinc/11/28/65/171112865.db2.gz	ZWRUICGEJAPMQQ-GHMZBOCLSA-N	2	0	243.351	1.402	10	30		BDEERP
CC[C@@H]1CSC(N[C@H]2CCN(C)C2)=[NH+]1	ZINC000042548583	171113430	/nfs/dbraw/zinc/11/34/30/171113430.db2.gz	XLNQJDRMYBASOH-BDAKNGLRSA-N	2	0	213.350	1.162	10	30		BDEERP
C=CCOCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000665263092	412205606	/nfs/dbraw/zinc/20/56/06/412205606.db2.gz	GCJNLDZPZDBDQY-VXGBXAGGSA-N	2	0	212.337	1.167	10	30		BDEERP
COCC[N@H+](C)Cc1ccc(C#CC[NH3+])cc1	ZINC000049609871	174281157	/nfs/dbraw/zinc/28/11/57/174281157.db2.gz	AGLHZWWLEUHYHE-UHFFFAOYSA-N	2	0	232.327	1.075	10	30		BDEERP
C=CCSCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400504504	527004615	/nfs/dbraw/zinc/00/46/15/527004615.db2.gz	HNLJNGUDBYEMIX-QWRGUYRKSA-N	2	0	214.378	1.493	10	30		BDEERP
CC[NH+]=C(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)N(C)C	ZINC000261942726	535265576	/nfs/dbraw/zinc/26/55/76/535265576.db2.gz	DYSXRLXWUIVUTM-VXGBXAGGSA-N	2	0	240.395	1.242	10	30		BDEERP
CC[N@H+](C)Cc1ccc(C#CC[NH3+])s1	ZINC000043683595	343700572	/nfs/dbraw/zinc/70/05/72/343700572.db2.gz	MMGQLQJHDDMFNX-UHFFFAOYSA-N	2	0	208.330	1.510	10	30		BDEERP
N#CCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1	ZINC000037918012	181036109	/nfs/dbraw/zinc/03/61/09/181036109.db2.gz	HLAMJFKBBKQREY-QWHCGFSZSA-N	2	0	221.348	1.754	10	30		BDEERP
C=C(Cl)CN1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000306439690	359943498	/nfs/dbraw/zinc/94/34/98/359943498.db2.gz	ANYVCNMOASYROK-ZJUUUORDSA-N	2	0	200.713	1.280	10	30		BDEERP
C=C(Br)CN1CCCC[C@H](C[NH3+])C1	ZINC000306477273	360123469	/nfs/dbraw/zinc/12/34/69/360123469.db2.gz	KMQJKFCDSFOZMB-SNVBAGLBSA-N	2	0	247.180	1.956	10	30		BDEERP
C=CCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000574069930	364981199	/nfs/dbraw/zinc/98/11/99/364981199.db2.gz	DHBZYIVAOVRWEL-FRRDWIJNSA-N	2	0	226.364	1.291	10	30		BDEERP
C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#CC[NH3+])C1	ZINC000049609486	177163021	/nfs/dbraw/zinc/16/30/21/177163021.db2.gz	WMIQXAWRQRQZRZ-LBPRGKRZSA-N	2	0	246.329	1.978	10	30		BDEERP
CC(C)[N@H+](CCO)Cc1ccccc1C#CC[NH3+]	ZINC000042480650	188397004	/nfs/dbraw/zinc/39/70/04/188397004.db2.gz	NHTQDVHWZXINTN-UHFFFAOYSA-N	2	0	246.354	1.200	10	30		BDEERP
[NH3+]CC#Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2	ZINC000049716599	181346724	/nfs/dbraw/zinc/34/67/24/181346724.db2.gz	NBRGBIYAIBOZEQ-XJKSGUPXSA-N	2	0	240.350	1.981	10	30		BDEERP
[NH3+]CC#Cc1ccc(C[NH+]2CCCC2)c(F)c1	ZINC000049608367	181346509	/nfs/dbraw/zinc/34/65/09/181346509.db2.gz	DELULWKKQGAGSC-UHFFFAOYSA-N	2	0	232.302	1.732	10	30		BDEERP
C[NH+]=C(NC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000262014504	135273279	/nfs/dbraw/zinc/27/32/79/135273279.db2.gz	XLZIIBVTUMKYGF-CMPLNLGQSA-N	2	0	238.379	1.043	10	30		BDEERP
CC(C)N[C@H](C#N)CCN(C)CCC[NH+](C)C	ZINC000104192342	167137041	/nfs/dbraw/zinc/13/70/41/167137041.db2.gz	SUSLUAFCRMBYCN-ZDUSSCGKSA-N	2	0	240.395	1.150	10	30		BDEERP
C=CCOCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000665263798	412207805	/nfs/dbraw/zinc/20/78/05/412207805.db2.gz	UYGUHPMSHFHLBE-QWHCGFSZSA-N	2	0	226.364	1.557	10	30		BDEERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC1	ZINC000130556815	591481944	/nfs/dbraw/zinc/48/19/44/591481944.db2.gz	CZUDJIWBQHLFBT-GFCCVEGCSA-N	2	0	238.379	1.174	10	30		BDEERP
C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC[NH2+]C1	ZINC000404643733	398293619	/nfs/dbraw/zinc/29/36/19/398293619.db2.gz	NDUZVZXSTBHJPG-ZWNOBZJWSA-N	2	0	247.317	1.785	10	30		BDEERP
COCC(=[NH2+])Nc1cccc([C@H](C)[NH3+])c1C	ZINC000039110390	343385366	/nfs/dbraw/zinc/38/53/66/343385366.db2.gz	PQIMZXGHROTQAI-VIFPVBQESA-N	2	0	221.304	1.650	10	30		BDEERP
N/C(CCCC[N@@H+]1CCc2ccccc2C1)=N/O	ZINC000049580126	181182394	/nfs/dbraw/zinc/18/23/94/181182394.db2.gz	KTZBNLAXDZQULP-UHFFFAOYSA-N	2	0	247.342	1.961	10	30		BDEERP
NC(=[NH2+])NC(=[NH2+])SCc1ccc(F)cc1	ZINC000014966652	181185451	/nfs/dbraw/zinc/18/54/51/181185451.db2.gz	NVKDSQDSZYJQJW-UHFFFAOYSA-N	2	0	226.280	1.267	10	30		BDEERP
C=C(Cl)CN1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000306439689	359943190	/nfs/dbraw/zinc/94/31/90/359943190.db2.gz	ANYVCNMOASYROK-VHSXEESVSA-N	2	0	200.713	1.280	10	30		BDEERP
C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400336039	526656633	/nfs/dbraw/zinc/65/66/33/526656633.db2.gz	DHXYEZJWPJMDPZ-NWDGAFQWSA-N	2	0	212.337	1.167	10	30		BDEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC1(C)C	ZINC000261965203	535596642	/nfs/dbraw/zinc/59/66/42/535596642.db2.gz	AXPYALNMDPMAFM-WDEREUQCSA-N	2	0	238.379	1.174	10	30		BDEERP
C[N@H+](Cc1cc(C#CC[NH3+])cs1)C1CC1	ZINC000043688886	582806132	/nfs/dbraw/zinc/80/61/32/582806132.db2.gz	LOXNKSRATJYERH-UHFFFAOYSA-N	2	0	220.341	1.653	10	30		BDEERP
CC(C)[NH+]1CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1	ZINC000675060307	538486247	/nfs/dbraw/zinc/48/62/47/538486247.db2.gz	WJXBOJSWBIAWSO-GXTWGEPZSA-N	2	0	238.375	1.531	10	30		BDEERP
C=CCCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000581661406	367663073	/nfs/dbraw/zinc/66/30/73/367663073.db2.gz	ZOIDMUCXVVWAOT-CHWSQXEVSA-N	2	0	226.364	1.557	10	30		BDEERP
C=CC[C@@H]([NH3+])C[NH2+]CCOCc1ccccc1	ZINC000307651754	398123887	/nfs/dbraw/zinc/12/38/87/398123887.db2.gz	MNVCOIPWVWFEDU-CQSZACIVSA-N	2	0	234.343	1.696	10	30		BDEERP
C=CC[NH+](CC=C)CCCOC1CC[NH2+]CC1	ZINC000104383391	166333883	/nfs/dbraw/zinc/33/38/83/166333883.db2.gz	YVLHYOJOSJGIIS-UHFFFAOYSA-N	2	0	238.375	1.819	10	30		BDEERP
CN(Cc1cccc(C#N)c1)C[C@@H]1CC[N@H+](C)C1	ZINC000071189111	173113544	/nfs/dbraw/zinc/11/35/44/173113544.db2.gz	IQHUDPHOLXHXMN-OAHLLOKOSA-N	2	0	243.354	1.942	10	30		BDEERP
C[C@@H]1CC[N@H+](Cc2ccc(C#CC[NH3+])cc2)C1	ZINC000049609459	176174162	/nfs/dbraw/zinc/17/41/62/176174162.db2.gz	CXRDYXLUFFPQLJ-CYBMUJFWSA-N	2	0	228.339	1.839	10	30		BDEERP
C=C(C)COCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400336040	526656124	/nfs/dbraw/zinc/65/61/24/526656124.db2.gz	DHXYEZJWPJMDPZ-RYUDHWBXSA-N	2	0	212.337	1.167	10	30		BDEERP
C=CCCOCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000400330226	527367464	/nfs/dbraw/zinc/36/74/64/527367464.db2.gz	BRAXKTRACRPWQI-NEPJUHHUSA-N	2	0	212.337	1.167	10	30		BDEERP
CNC(N[C@@H]1CCN(Cc2ccccc2)C1)=[NH+]C	ZINC000306652016	361861534	/nfs/dbraw/zinc/86/15/34/361861534.db2.gz	IFLRLJVRVHELHU-CYBMUJFWSA-N	2	0	246.358	1.056	10	30		BDEERP
[NH3+]CC#Cc1ccccc1C[NH+]1CCSCC1	ZINC000049608766	181346670	/nfs/dbraw/zinc/34/66/70/181346670.db2.gz	AVTIBCOCBJTCPT-UHFFFAOYSA-N	2	0	246.379	1.546	10	30		BDEERP
C[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1C[NH3+]	ZINC000601326054	369621309	/nfs/dbraw/zinc/62/13/09/369621309.db2.gz	ISOSRPDSLUMTEZ-RISCZKNCSA-N	2	0	229.327	1.585	10	30		BDEERP
N#Cc1cccc([C@H]([NH3+])CCCC[NH3+])c1	ZINC000575439435	387124281	/nfs/dbraw/zinc/12/42/81/387124281.db2.gz	LCUKSCCKXHXOPB-GFCCVEGCSA-N	2	0	203.289	1.687	10	30		BDEERP
CC#CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000119183906	134225566	/nfs/dbraw/zinc/22/55/66/134225566.db2.gz	WXROGOPBBOMTKQ-ZDUSSCGKSA-N	2	0	238.375	1.034	10	30		BDEERP
C[NH+]=C(NCC1CCC1)NC[C@H]1CCC[N@@H+]1C	ZINC000262701645	135314859	/nfs/dbraw/zinc/31/48/59/135314859.db2.gz	IFBJFQDWFOQTCN-GFCCVEGCSA-N	2	0	238.379	1.046	10	30		BDEERP
[NH3+]CC#Cc1csc(C[NH+]2CCCC2)c1	ZINC000043692077	582806226	/nfs/dbraw/zinc/80/62/26/582806226.db2.gz	SRMKRCPYODEZTE-UHFFFAOYSA-N	2	0	220.341	1.654	10	30		BDEERP
C=CCCOCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400330230	527367660	/nfs/dbraw/zinc/36/76/60/527367660.db2.gz	BRAXKTRACRPWQI-RYUDHWBXSA-N	2	0	212.337	1.167	10	30		BDEERP
[NH3+]CC#Cc1csc(C[NH+]2CCC2)c1	ZINC000307478628	566279284	/nfs/dbraw/zinc/27/92/84/566279284.db2.gz	IXFZGANEMJTQAO-UHFFFAOYSA-N	2	0	206.314	1.264	10	30		BDEERP
N#CCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2	ZINC000757135119	582514336	/nfs/dbraw/zinc/51/43/36/582514336.db2.gz	ZFYLQMVKHYYUJC-CYBMUJFWSA-N	2	0	221.348	1.898	10	30		BDEERP
C[NH2+]Cc1cccc(NC(=[NH2+])COC)c1C	ZINC000039110385	343385293	/nfs/dbraw/zinc/38/52/93/343385293.db2.gz	MXMYUQPWGBTXCK-UHFFFAOYSA-N	2	0	221.304	1.350	10	30		BDEERP
N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1	ZINC000381301021	344492866	/nfs/dbraw/zinc/49/28/66/344492866.db2.gz	AMLKNNYMSRGVCD-KKUMJFAQSA-N	2	0	241.338	1.727	10	30		BDEERP
C=C(C)COCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000584345337	355363707	/nfs/dbraw/zinc/36/37/07/355363707.db2.gz	NLRUMUUYMJCKSB-OLZOCXBDSA-N	2	0	226.364	1.557	10	30		BDEERP
C=CCCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000581661409	367662326	/nfs/dbraw/zinc/66/23/26/367662326.db2.gz	ZOIDMUCXVVWAOT-STQMWFEESA-N	2	0	226.364	1.557	10	30		BDEERP
N#Cc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1F	ZINC000575439960	387125524	/nfs/dbraw/zinc/12/55/24/387125524.db2.gz	ZPHHLIISOHJJMV-LBPRGKRZSA-N	2	0	221.279	1.826	10	30		BDEERP
C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CC[NH2+]C1	ZINC000400331500	533452777	/nfs/dbraw/zinc/45/27/77/533452777.db2.gz	BYMFWWJQAIDHPO-BXUZGUMPSA-N	2	0	229.327	1.646	10	30		BDEERP
C=C(C)COCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400336041	526655654	/nfs/dbraw/zinc/65/56/54/526655654.db2.gz	DHXYEZJWPJMDPZ-VXGBXAGGSA-N	2	0	212.337	1.167	10	30		BDEERP
C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC[NH2+]C1	ZINC000404643730	398293664	/nfs/dbraw/zinc/29/36/64/398293664.db2.gz	NDUZVZXSTBHJPG-GXFFZTMASA-N	2	0	247.317	1.785	10	30		BDEERP
C[C@@H]1CC(N=NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1	ZINC000306903973	351319903	/nfs/dbraw/zinc/31/99/03/351319903.db2.gz	JKWKPNSOMXPYBR-YZWBREFASA-N	2	0	245.330	1.120	10	30		BDEERP
NC(=[NH2+])NC(=[NH2+])SCc1ccc(Cl)cc1	ZINC000014966649	181185465	/nfs/dbraw/zinc/18/54/65/181185465.db2.gz	SURMJGLRAYJHBH-UHFFFAOYSA-N	2	0	242.735	1.781	10	30		BDEERP
CCC[N@H+](CCO)Cc1ccc(C#CC[NH3+])cc1	ZINC000049609657	169167528	/nfs/dbraw/zinc/16/75/28/169167528.db2.gz	YWOUDQDUZKWGIS-UHFFFAOYSA-N	2	0	246.354	1.201	10	30		BDEERP
CCCCCCCC[NH2+]CCNCC[NH3+]	ZINC000103824343	387461075	/nfs/dbraw/zinc/46/10/75/387461075.db2.gz	YBUMEUMBIWOBBF-UHFFFAOYSA-N	2	0	215.385	1.485	10	30		BDEERP
CC[C@@H]1CSC(N[C@@H]2CCN(C)C2)=[NH+]1	ZINC000042548578	171114670	/nfs/dbraw/zinc/11/46/70/171114670.db2.gz	XLNQJDRMYBASOH-RKDXNWHRSA-N	2	0	213.350	1.162	10	30		BDEERP
CC[N@H+](C)Cc1sccc1C#CC[NH3+]	ZINC000043683596	343700624	/nfs/dbraw/zinc/70/06/24/343700624.db2.gz	IIQDNMKINDWFCS-UHFFFAOYSA-N	2	0	208.330	1.510	10	30		BDEERP
CCC[N@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049608982	169080904	/nfs/dbraw/zinc/08/09/04/169080904.db2.gz	PMSLOBXPBDHQGV-UHFFFAOYSA-N	2	0	234.318	1.978	10	30		BDEERP
C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC[NH2+]C1	ZINC000400331503	533453748	/nfs/dbraw/zinc/45/37/48/533453748.db2.gz	BYMFWWJQAIDHPO-RISCZKNCSA-N	2	0	229.327	1.646	10	30		BDEERP
CC#CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000119183755	134225450	/nfs/dbraw/zinc/22/54/50/134225450.db2.gz	WXROGOPBBOMTKQ-CYBMUJFWSA-N	2	0	238.375	1.034	10	30		BDEERP
CNC(=[NH2+])N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000270325100	135364978	/nfs/dbraw/zinc/36/49/78/135364978.db2.gz	XUVLOJPCWNZMNT-WCQYABFASA-N	2	0	246.358	1.184	10	30		BDEERP
C=C(Br)CN1C[C@H](C[NH3+])C[C@@H]1C	ZINC000126883669	342799544	/nfs/dbraw/zinc/79/95/44/342799544.db2.gz	OOFRYVUJAFOZAV-IUCAKERBSA-N	2	0	233.153	1.564	10	30		BDEERP
C=CCCSCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000596649675	348605151	/nfs/dbraw/zinc/60/51/51/348605151.db2.gz	FACZWWCUCTXYDD-NWDGAFQWSA-N	2	0	228.405	1.883	10	30		BDEERP
CC[N@H+](C)Cc1cc(C#CC[NH3+])cs1	ZINC000043688881	352639304	/nfs/dbraw/zinc/63/93/04/352639304.db2.gz	OVVPUBHOJTUEEK-UHFFFAOYSA-N	2	0	208.330	1.510	10	30		BDEERP
N#Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1	ZINC000051692995	181106700	/nfs/dbraw/zinc/10/67/00/181106700.db2.gz	VTFCSWLEKMNQEL-UHFFFAOYSA-N	2	0	229.327	1.918	10	30		BDEERP
C=C(Cl)CN1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000306439688	359943893	/nfs/dbraw/zinc/94/38/93/359943893.db2.gz	ANYVCNMOASYROK-UWVGGRQHSA-N	2	0	200.713	1.280	10	30		BDEERP
C=C(Br)CN[C@@H]1CC[NH2+]CC1(C)C	ZINC000300821851	360523065	/nfs/dbraw/zinc/52/30/65/360523065.db2.gz	IWTHELSXVJNWLB-SECBINFHSA-N	2	0	247.180	1.873	10	30		BDEERP
C[N@H+]1C[C@@H]2C[NH+](CCCCC#N)C[C@@H]2C1	ZINC000193612547	387859016	/nfs/dbraw/zinc/85/90/16/387859016.db2.gz	MQQZGLWUDXYQHW-TXEJJXNPSA-N	2	0	207.321	1.174	10	30		BDEERP
C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N[C@@H]1C[C@@H]1C	ZINC000262812313	135319891	/nfs/dbraw/zinc/31/98/91/135319891.db2.gz	OIYCROQJGBNDAM-JBLDHEPKSA-N	2	0	238.379	1.043	10	30		BDEERP
COc1ccc(C[N@H+](C)C2CC2)cc1C#CC[NH3+]	ZINC000049608887	175094705	/nfs/dbraw/zinc/09/47/05/175094705.db2.gz	BLDYBKIUPSMMCK-UHFFFAOYSA-N	2	0	244.338	1.600	10	30		BDEERP
N#C[C@H]1CCC[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000054825749	181068649	/nfs/dbraw/zinc/06/86/49/181068649.db2.gz	WFONYVCMTRRFHH-SCRDCRAPSA-N	2	0	233.359	1.753	10	30		BDEERP
C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000574069931	364980959	/nfs/dbraw/zinc/98/09/59/364980959.db2.gz	DHBZYIVAOVRWEL-JHJVBQTASA-N	2	0	226.364	1.291	10	30		BDEERP
Cc1ccc(CN2CCC[C@H]2C[NH3+])cc1C#N	ZINC000600704863	369559874	/nfs/dbraw/zinc/55/98/74/369559874.db2.gz	QOZVCWZBSUSPAK-AWEZNQCLSA-N	2	0	229.327	1.790	10	30		BDEERP
N#Cc1ccccc1[C@@H]([NH3+])CCCC[NH3+]	ZINC000575440394	387132560	/nfs/dbraw/zinc/13/25/60/387132560.db2.gz	SGZNHYTZQVURED-LBPRGKRZSA-N	2	0	203.289	1.687	10	30		BDEERP
C[C@H](C#N)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1	ZINC000054180540	132363887	/nfs/dbraw/zinc/36/38/87/132363887.db2.gz	ROBAQXHWJGXMBE-GFCCVEGCSA-N	2	0	244.342	1.800	10	30		BDEERP
COCC[N@H+](C)Cc1ccccc1C#CC[NH3+]	ZINC000049609870	174280447	/nfs/dbraw/zinc/28/04/47/174280447.db2.gz	CRBJNECHZVCITI-UHFFFAOYSA-N	2	0	232.327	1.075	10	30		BDEERP
C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1	ZINC000049609489	176174135	/nfs/dbraw/zinc/17/41/35/176174135.db2.gz	KTZJOLOCCHTYSD-GFCCVEGCSA-N	2	0	246.329	1.978	10	30		BDEERP
N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1	ZINC000381301029	344492816	/nfs/dbraw/zinc/49/28/16/344492816.db2.gz	AMLKNNYMSRGVCD-RRFJBIMHSA-N	2	0	241.338	1.727	10	30		BDEERP
N/C(CCCC[N@H+](CCO)C1CCCC1)=N/O	ZINC000042507723	181183024	/nfs/dbraw/zinc/18/30/24/181183024.db2.gz	DGWBVJULCZQDGX-UHFFFAOYSA-N	2	0	243.351	1.140	10	30		BDEERP
Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C#N	ZINC000601326235	369621238	/nfs/dbraw/zinc/62/12/38/369621238.db2.gz	KWXNJMYJWXQOTP-DOMZBBRYSA-N	2	0	243.354	1.893	10	30		BDEERP
C[N@H+]1C[C@@H]2C[NH+](CCCC(C)(C)C#N)C[C@@H]2C1	ZINC000193653728	387859835	/nfs/dbraw/zinc/85/98/35/387859835.db2.gz	UUHYNFLWBXJFNE-BETUJISGSA-N	2	0	235.375	1.810	10	30		BDEERP
C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+](C)C)cc2)N1	ZINC000262658397	135311915	/nfs/dbraw/zinc/31/19/15/135311915.db2.gz	MFZMKPOPMVMECR-LLVKDONJSA-N	2	0	246.358	1.186	10	30		BDEERP
CNC(=[NH2+])N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1	ZINC000270325097	135365048	/nfs/dbraw/zinc/36/50/48/135365048.db2.gz	XUVLOJPCWNZMNT-AAEUAGOBSA-N	2	0	246.358	1.184	10	30		BDEERP
C[C@H]1CCC[N@@H+]1Cc1ccccc1C#CC[NH3+]	ZINC000049608281	177110198	/nfs/dbraw/zinc/11/01/98/177110198.db2.gz	NTGHBDRJYYYMNM-ZDUSSCGKSA-N	2	0	228.339	1.981	10	30		BDEERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H](C)N1	ZINC000262658382	535078518	/nfs/dbraw/zinc/07/85/18/535078518.db2.gz	MFTNBJLUNGCOFF-NWDGAFQWSA-N	2	0	238.379	1.044	10	30		BDEERP
C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC[NH2+]C1	ZINC000404643731	398293528	/nfs/dbraw/zinc/29/35/28/398293528.db2.gz	NDUZVZXSTBHJPG-MFKMUULPSA-N	2	0	247.317	1.785	10	30		BDEERP
C=C(C)COCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000584345336	355363571	/nfs/dbraw/zinc/36/35/71/355363571.db2.gz	NLRUMUUYMJCKSB-CHWSQXEVSA-N	2	0	226.364	1.557	10	30		BDEERP
[NH3+]CC#Cc1cccc(C[NH+]2CCCC2)c1	ZINC000049608368	181346584	/nfs/dbraw/zinc/34/65/84/181346584.db2.gz	DFMTUIRAGBLIQU-UHFFFAOYSA-N	2	0	214.312	1.593	10	30		BDEERP
CCC[N@H+](CCO)Cc1cccc(C#CC[NH3+])c1	ZINC000049609662	169167249	/nfs/dbraw/zinc/16/72/49/169167249.db2.gz	GNKFQQNABWMEQY-UHFFFAOYSA-N	2	0	246.354	1.201	10	30		BDEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC1CCCC1	ZINC000263239049	135341539	/nfs/dbraw/zinc/34/15/39/135341539.db2.gz	KNNTXDBWLHGLDA-GFCCVEGCSA-N	2	0	238.379	1.188	10	30		BDEERP
C=CCCSCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000596649676	348605246	/nfs/dbraw/zinc/60/52/46/348605246.db2.gz	FACZWWCUCTXYDD-RYUDHWBXSA-N	2	0	228.405	1.883	10	30		BDEERP
C[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1C[NH3+]	ZINC000601326053	369621538	/nfs/dbraw/zinc/62/15/38/369621538.db2.gz	ISOSRPDSLUMTEZ-FZMZJTMJSA-N	2	0	229.327	1.585	10	30		BDEERP
CCC[N@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1	ZINC000049608977	169080756	/nfs/dbraw/zinc/08/07/56/169080756.db2.gz	ZGKAJHSHLAFLJR-UHFFFAOYSA-N	2	0	246.354	1.847	10	30		BDEERP
CC1=CCN(CCNC(=[NH2+])NC(C)(C)C)CC1	ZINC000262313162	135292037	/nfs/dbraw/zinc/29/20/37/135292037.db2.gz	QBFGJWCXSUZFGV-UHFFFAOYSA-N	2	0	238.379	1.341	10	30		BDEERP
C[NH+](C)C(C)(C)CN[C@H]1CCC[C@@H]1C#N	ZINC000054827500	172398142	/nfs/dbraw/zinc/39/81/42/172398142.db2.gz	YNCSEHVEBNSQBH-MNOVXSKESA-N	2	0	209.337	1.608	10	30		BDEERP
C[N@H+]1C[C@@H]2C[NH+](CCCSCC#N)C[C@@H]2C1	ZINC000193598447	173197057	/nfs/dbraw/zinc/19/70/57/173197057.db2.gz	VUMMVAJPIPKUES-TXEJJXNPSA-N	2	0	239.388	1.127	10	30		BDEERP
CCC[N@H+](C)Cc1cc(C#CC[NH3+])cs1	ZINC000043690950	582806331	/nfs/dbraw/zinc/80/63/31/582806331.db2.gz	BRMWNGMBKYJNCI-UHFFFAOYSA-N	2	0	222.357	1.900	10	30		BDEERP
[NH3+]CC#Cc1ccsc1C[NH+]1CCC1	ZINC000306250217	359447887	/nfs/dbraw/zinc/44/78/87/359447887.db2.gz	YMOUZJOHMNALOS-UHFFFAOYSA-N	2	0	206.314	1.264	10	30		BDEERP
[NH3+]CC#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1	ZINC000049716600	181346540	/nfs/dbraw/zinc/34/65/40/181346540.db2.gz	FMJKMUARDRFBMW-JKSUJKDBSA-N	2	0	240.350	1.981	10	30		BDEERP
CCC[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1	ZINC000049608973	169079080	/nfs/dbraw/zinc/07/90/80/169079080.db2.gz	YPZVEIWRILERIX-UHFFFAOYSA-N	2	0	246.354	1.717	10	30		BDEERP
CCC[N@H+](C)Cc1cc(C#CC[NH3+])ccc1OC	ZINC000049608976	169081345	/nfs/dbraw/zinc/08/13/45/169081345.db2.gz	RFYBAZMTSRUWGH-UHFFFAOYSA-N	2	0	246.354	1.847	10	30		BDEERP
C=CCOCCC[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000665263767	412202983	/nfs/dbraw/zinc/20/29/83/412202983.db2.gz	UKRXRVMQANMQDS-GFCCVEGCSA-N	2	0	212.337	1.311	10	30		BDEERP
C[NH+](C)C(C)(C)CN[C@H]1CCC[C@H]1C#N	ZINC000054827503	172397144	/nfs/dbraw/zinc/39/71/44/172397144.db2.gz	YNCSEHVEBNSQBH-QWRGUYRKSA-N	2	0	209.337	1.608	10	30		BDEERP
C[C@@H]1CCC[N@@H+]1Cc1cccc(C#CC[NH3+])c1	ZINC000049608292	176110730	/nfs/dbraw/zinc/11/07/30/176110730.db2.gz	JXDHQHRISUZJRA-CYBMUJFWSA-N	2	0	228.339	1.981	10	30		BDEERP
C[C@@H]1CC[N@H+](Cc2ccccc2C#CC[NH3+])C1	ZINC000049609456	176175720	/nfs/dbraw/zinc/17/57/20/176175720.db2.gz	QYHPALOPNQMZKF-CYBMUJFWSA-N	2	0	228.339	1.839	10	30		BDEERP
C[C@H]1CC[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1	ZINC000049609491	177163456	/nfs/dbraw/zinc/16/34/56/177163456.db2.gz	KTZJOLOCCHTYSD-LBPRGKRZSA-N	2	0	246.329	1.978	10	30		BDEERP
C=CCCOCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400330232	527368086	/nfs/dbraw/zinc/36/80/86/527368086.db2.gz	BRAXKTRACRPWQI-VXGBXAGGSA-N	2	0	212.337	1.167	10	30		BDEERP
CNC(N[C@H]1CCN(Cc2ccccc2)C1)=[NH+]C	ZINC000306652018	361861682	/nfs/dbraw/zinc/86/16/82/361861682.db2.gz	IFLRLJVRVHELHU-ZDUSSCGKSA-N	2	0	246.358	1.056	10	30		BDEERP
COCC(=[NH2+])Nc1cccc([C@@H](C)[NH3+])c1C	ZINC000039110389	343385210	/nfs/dbraw/zinc/38/52/10/343385210.db2.gz	PQIMZXGHROTQAI-SECBINFHSA-N	2	0	221.304	1.650	10	30		BDEERP
C=CC[C@H]([NH3+])C[NH2+]CCOCc1ccccc1	ZINC000307651753	352741550	/nfs/dbraw/zinc/74/15/50/352741550.db2.gz	MNVCOIPWVWFEDU-AWEZNQCLSA-N	2	0	234.343	1.696	10	30		BDEERP
N#Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1F	ZINC000335025837	384009732	/nfs/dbraw/zinc/00/97/32/384009732.db2.gz	MMTXEHZTOCCHHA-CYBMUJFWSA-N	2	0	247.317	1.929	10	30		BDEERP
C[C@@H](C#N)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1	ZINC000054180543	132363753	/nfs/dbraw/zinc/36/37/53/132363753.db2.gz	ROBAQXHWJGXMBE-LBPRGKRZSA-N	2	0	244.342	1.800	10	30		BDEERP
C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2C#N)CC1	ZINC000054827629	643675537	/nfs/dbraw/zinc/67/55/37/643675537.db2.gz	QHZHHANWNOCZGK-OLZOCXBDSA-N	2	0	221.348	1.610	10	30		BDEERP
N#Cc1cccc(C[NH2+]CCc2c[nH]cn2)c1	ZINC000083354760	181137825	/nfs/dbraw/zinc/13/78/25/181137825.db2.gz	YYPIPXAUOHSXMA-UHFFFAOYSA-N	2	0	226.283	1.614	10	30		BDEERP
N/C(CCC[N@@H+]1CCc2ccccc2C1)=N\O	ZINC000019486789	181182373	/nfs/dbraw/zinc/18/23/73/181182373.db2.gz	FFRBATDJUNWJQR-UHFFFAOYSA-N	2	0	233.315	1.571	10	30		BDEERP
N/C(CCC[N@H+](CCO)C1CCCCC1)=N/O	ZINC000042507629	181182441	/nfs/dbraw/zinc/18/24/41/181182441.db2.gz	XGPNHPHNEFCVGX-UHFFFAOYSA-N	2	0	243.351	1.140	10	30		BDEERP
[NH3+]CC#Cc1ccc(C[NH+]2CCSCC2)cc1	ZINC000049608767	181346682	/nfs/dbraw/zinc/34/66/82/181346682.db2.gz	ZXCNFPJVSOPLCN-UHFFFAOYSA-N	2	0	246.379	1.546	10	30		BDEERP
[NH3+]CC#Cc1ccccc1OCC[NH+]1CCCC1	ZINC000037547913	181348602	/nfs/dbraw/zinc/34/86/02/181348602.db2.gz	BHINTSKRKQQKOI-UHFFFAOYSA-N	2	0	244.338	1.471	10	30		BDEERP
C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000574069933	364981428	/nfs/dbraw/zinc/98/14/28/364981428.db2.gz	DHBZYIVAOVRWEL-YNEHKIRRSA-N	2	0	226.364	1.291	10	30		BDEERP
C[NH+]=C(NC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262014505	135273429	/nfs/dbraw/zinc/27/34/29/135273429.db2.gz	XLZIIBVTUMKYGF-ZYHUDNBSSA-N	2	0	238.379	1.043	10	30		BDEERP
C=CCOCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000665263796	412208039	/nfs/dbraw/zinc/20/80/39/412208039.db2.gz	UYGUHPMSHFHLBE-CHWSQXEVSA-N	2	0	226.364	1.557	10	30		BDEERP
C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#CC[NH3+])C1	ZINC000049609484	176173868	/nfs/dbraw/zinc/17/38/68/176173868.db2.gz	WMIQXAWRQRQZRZ-GFCCVEGCSA-N	2	0	246.329	1.978	10	30		BDEERP
C[C@@H]1CC[N@H+](Cc2cccc(C#CC[NH3+])c2)C1	ZINC000049609479	176176560	/nfs/dbraw/zinc/17/65/60/176176560.db2.gz	FOZBSKLEXPTFIQ-CYBMUJFWSA-N	2	0	228.339	1.839	10	30		BDEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC1(C)C	ZINC000261965198	535549407	/nfs/dbraw/zinc/54/94/07/535549407.db2.gz	AXPYALNMDPMAFM-GHMZBOCLSA-N	2	0	238.379	1.174	10	30		BDEERP
C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1	ZINC000054827628	640414357	/nfs/dbraw/zinc/41/43/57/640414357.db2.gz	QHZHHANWNOCZGK-CHWSQXEVSA-N	2	0	221.348	1.610	10	30		BDEERP
C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2C#N)CC1	ZINC000054827632	640414591	/nfs/dbraw/zinc/41/45/91/640414591.db2.gz	QHZHHANWNOCZGK-QWHCGFSZSA-N	2	0	221.348	1.610	10	30		BDEERP
C=C(Br)CN1C[C@H](C[NH3+])C[C@H]1C	ZINC000126883448	342799526	/nfs/dbraw/zinc/79/95/26/342799526.db2.gz	OOFRYVUJAFOZAV-BDAKNGLRSA-N	2	0	233.153	1.564	10	30		BDEERP
COc1ccc(C[NH+]2CCCC2)cc1C#CC[NH3+]	ZINC000049608366	188576752	/nfs/dbraw/zinc/57/67/52/188576752.db2.gz	ICGJVAHGNQPYGT-UHFFFAOYSA-N	2	0	244.338	1.601	10	30		BDEERP
N/C(CCC[N@@H+]1CCc2sccc2C1)=N\O	ZINC000019474695	181182673	/nfs/dbraw/zinc/18/26/73/181182673.db2.gz	XVUZZNLWJPMITI-UHFFFAOYSA-N	2	0	239.344	1.633	10	30		BDEERP
[NH3+]CC#Cc1cc(C[NH+]2CCCC2)ccc1F	ZINC000049608370	181346749	/nfs/dbraw/zinc/34/67/49/181346749.db2.gz	MZAQFTAKLGBTGP-UHFFFAOYSA-N	2	0	232.302	1.732	10	30		BDEERP
C=CCCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000581661407	367662605	/nfs/dbraw/zinc/66/26/05/367662605.db2.gz	ZOIDMUCXVVWAOT-OLZOCXBDSA-N	2	0	226.364	1.557	10	30		BDEERP
CCC[N@H+](C)CCOc1cccc(C#CC[NH3+])c1	ZINC000049608978	169079373	/nfs/dbraw/zinc/07/93/73/169079373.db2.gz	SUXYTDBINHWPAX-UHFFFAOYSA-N	2	0	246.354	1.717	10	30		BDEERP
N#Cc1cc([C@@H]([NH3+])CCC[NH3+])ccc1F	ZINC000575438918	387121306	/nfs/dbraw/zinc/12/13/06/387121306.db2.gz	OUPGGGAPZAAHLG-NSHDSACASA-N	2	0	207.252	1.436	10	30		BDEERP
CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[C@@H]1C#N	ZINC000070822059	173112302	/nfs/dbraw/zinc/11/23/02/173112302.db2.gz	GQQAPMXQTDVBQN-JHJVBQTASA-N	2	0	221.348	1.562	10	30		BDEERP
CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)C1	ZINC000071189103	173112595	/nfs/dbraw/zinc/11/25/95/173112595.db2.gz	SZZOAFGEOWRXGH-OAHLLOKOSA-N	2	0	243.354	1.942	10	30		BDEERP
CN1CC[NH+]=C1NCc1ccc(C[NH+](C)C)cc1	ZINC000262631190	536001149	/nfs/dbraw/zinc/00/11/49/536001149.db2.gz	FTSVBDPRBQNRQX-UHFFFAOYSA-N	2	0	246.358	1.139	10	30		BDEERP
N#CCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2	ZINC000757135121	582514140	/nfs/dbraw/zinc/51/41/40/582514140.db2.gz	ZFYLQMVKHYYUJC-ZDUSSCGKSA-N	2	0	221.348	1.898	10	30		BDEERP