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)[C@@H](Cc1ccccc1)[NH2+]CCN	ZINC000218278139	345744897	/nfs/dbraw/zinc/74/48/97/345744897.db2.gz	WGWKINNTZBDCIL-CYBMUJFWSA-N	2	0	206.333	1.802	20	70		BDIDRP
CC[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000161211182	349399233	/nfs/dbraw/zinc/39/92/33/349399233.db2.gz	DNJLPYQXCCNXQR-ZIAGYGMSSA-N	2	0	240.391	1.565	20	70		BDIDRP
C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)CCOC)C1	ZINC000218651391	134258311	/nfs/dbraw/zinc/25/83/11/134258311.db2.gz	VCAIRZKDYJJCIL-RYUDHWBXSA-N	2	0	214.353	1.343	20	70		BDIDRP
C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1F	ZINC000218300482	487646997	/nfs/dbraw/zinc/64/69/97/487646997.db2.gz	CGYUQCCQTUIIEZ-UWVGGRQHSA-N	2	0	210.296	1.694	20	70		BDIDRP
C[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)C1CC1	ZINC000161465357	538915686	/nfs/dbraw/zinc/91/56/86/538915686.db2.gz	QARDEIISHNDYDO-AWEZNQCLSA-N	2	0	240.391	1.565	20	70		BDIDRP
OC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161253505	349416518	/nfs/dbraw/zinc/41/65/18/349416518.db2.gz	YCETYMZPKLDFIP-CQSZACIVSA-N	2	0	240.391	1.567	20	70		BDIDRP
CCCC[C@H](C[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1	ZINC000161283914	200711482	/nfs/dbraw/zinc/71/14/82/200711482.db2.gz	OYTYKJWAVHQRGU-DGCLKSJQSA-N	2	0	241.379	1.010	20	70		BDIDRP
[NH3+]CCCC[NH2+]Cc1cc(O)cc(F)c1	ZINC000159593265	361259997	/nfs/dbraw/zinc/25/99/97/361259997.db2.gz	UDXAJJIXANZBPZ-UHFFFAOYSA-N	2	0	212.268	1.360	20	70		BDIDRP
CC[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1	ZINC000161105828	384463781	/nfs/dbraw/zinc/46/37/81/384463781.db2.gz	QEDCZNFWWCYMOQ-VXGBXAGGSA-N	2	0	214.353	1.031	20	70		BDIDRP
Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)[NH3+]	ZINC000218299618	487647574	/nfs/dbraw/zinc/64/75/74/487647574.db2.gz	DWOWGYPWDJOTOI-RYUDHWBXSA-N	2	0	206.333	1.863	20	70		BDIDRP
CC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000161211051	349398992	/nfs/dbraw/zinc/39/89/92/349398992.db2.gz	DNJLPYQXCCNXQR-KGLIPLIRSA-N	2	0	240.391	1.565	20	70		BDIDRP
CC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)CC)C1	ZINC000161419343	384487467	/nfs/dbraw/zinc/48/74/67/384487467.db2.gz	MJINACIOYSNHCZ-OLZOCXBDSA-N	2	0	228.380	1.421	20	70		BDIDRP
CCC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CC)C1	ZINC000161391394	384999084	/nfs/dbraw/zinc/99/90/84/384999084.db2.gz	GDVXPUZILIQSNS-ZIAGYGMSSA-N	2	0	242.407	1.811	20	70		BDIDRP
CSCC[N@H+](C)C[C@@H]1CCC[NH2+]C1	ZINC000160042347	388043542	/nfs/dbraw/zinc/04/35/42/388043542.db2.gz	RKUIUNXEHOAEFX-SNVBAGLBSA-N	2	0	202.367	1.281	20	70		BDIDRP
C[N@H+](CCCCCCO)C1CC[NH2+]CC1	ZINC000218585033	592164540	/nfs/dbraw/zinc/16/45/40/592164540.db2.gz	GGNVVJQBSCZKOH-UHFFFAOYSA-N	2	0	214.353	1.223	20	70		BDIDRP
C[C@@H]1CCCC[N@@H+]1CCCCNC(N)=[NH2+]	ZINC000161508053	136277274	/nfs/dbraw/zinc/27/72/74/136277274.db2.gz	CLQFBWTYPBNJLM-SNVBAGLBSA-N	2	0	212.341	1.124	20	70		BDIDRP
CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cnn(C)c1	ZINC000161304838	349419473	/nfs/dbraw/zinc/41/94/73/349419473.db2.gz	QGMYTPQBXXEEON-ZDUSSCGKSA-N	2	0	236.363	1.336	20	70		BDIDRP
CC(C)OCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	ZINC000159503273	361241856	/nfs/dbraw/zinc/24/18/56/361241856.db2.gz	YHVYZVYHIKVTIX-GHMZBOCLSA-N	2	0	200.326	1.081	20	70		BDIDRP
C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(F)cc1	ZINC000218299917	487646950	/nfs/dbraw/zinc/64/69/50/487646950.db2.gz	XIYHAARGCWDGHR-ZJUUUORDSA-N	2	0	210.296	1.694	20	70		BDIDRP
CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCN	ZINC000218286919	345744797	/nfs/dbraw/zinc/74/47/97/345744797.db2.gz	HKSOTLKGTUGERG-ZDUSSCGKSA-N	2	0	206.333	1.864	20	70		BDIDRP
Nc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1	ZINC000218752158	345744826	/nfs/dbraw/zinc/74/48/26/345744826.db2.gz	WOXJPFRIHZEQCB-UHFFFAOYSA-N	2	0	233.359	1.830	20	70		BDIDRP
CC(C)[C@H](Cc1ccccc1)[NH2+]CCN	ZINC000218278193	350087886	/nfs/dbraw/zinc/08/78/86/350087886.db2.gz	WGWKINNTZBDCIL-ZDUSSCGKSA-N	2	0	206.333	1.802	20	70		BDIDRP
CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1	ZINC000217722696	357911325	/nfs/dbraw/zinc/91/13/25/357911325.db2.gz	JJQKOKQOVPDDHL-MXWKQRLJSA-N	2	0	200.326	1.007	20	70		BDIDRP
CC[NH+](CC)C[C@H]1CC[N@H+](C[C@](C)(O)CC)C1	ZINC000161315005	384964459	/nfs/dbraw/zinc/96/44/59/384964459.db2.gz	YOLRWPQHFYBJCG-ZIAGYGMSSA-N	2	0	242.407	1.811	20	70		BDIDRP
C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C2CC2)CC1	ZINC000161495945	349465356	/nfs/dbraw/zinc/46/53/56/349465356.db2.gz	VCRYJBDEJNUDSA-CYBMUJFWSA-N	2	0	237.391	1.251	20	70		BDIDRP
CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCN	ZINC000218280462	345745039	/nfs/dbraw/zinc/74/50/39/345745039.db2.gz	VSOYXVBPPNVRLG-ZDUSSCGKSA-N	2	0	224.323	1.941	20	70		BDIDRP
C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(F)(F)F)C1	ZINC000159505113	361241599	/nfs/dbraw/zinc/24/15/99/361241599.db2.gz	JZMAPIHAFUACTD-JGVFFNPUSA-N	2	0	210.243	1.608	20	70		BDIDRP
CC[C@H](COC)[NH2+][C@H]1CCC[NH2+]CC1	ZINC000160683877	361323976	/nfs/dbraw/zinc/32/39/76/361323976.db2.gz	WMGFIDACUKEPNE-MNOVXSKESA-N	2	0	200.326	1.143	20	70		BDIDRP
CC[C@](C)(O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C	ZINC000161274479	384479383	/nfs/dbraw/zinc/47/93/83/384479383.db2.gz	MUACZSFLIAYLIY-KBPBESRZSA-N	2	0	242.407	1.954	20	70		BDIDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O	ZINC000160535070	388072931	/nfs/dbraw/zinc/07/29/31/388072931.db2.gz	RFFNKVPHQKLESH-RFGFWPKPSA-N	2	0	240.391	1.467	20	70		BDIDRP
C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(F)(F)F)C1	ZINC000159505378	361241507	/nfs/dbraw/zinc/24/15/07/361241507.db2.gz	JZMAPIHAFUACTD-YUMQZZPRSA-N	2	0	210.243	1.608	20	70		BDIDRP
C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CN1C1CC1	ZINC000160853917	361331039	/nfs/dbraw/zinc/33/10/39/361331039.db2.gz	OXFNASPAKCNEQK-JFGNBEQYSA-N	2	0	208.349	2.000	20	70		BDIDRP
COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)[NH3+]	ZINC000218300683	487647269	/nfs/dbraw/zinc/64/72/69/487647269.db2.gz	UDXOIFGYNFHNMC-GHMZBOCLSA-N	2	0	222.332	1.563	20	70		BDIDRP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)nc1	ZINC000216715083	592072508	/nfs/dbraw/zinc/07/25/08/592072508.db2.gz	GUHNBXGHKHHQCL-GHMZBOCLSA-N	2	0	239.750	1.952	20	70		BDIDRP
COCC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1	ZINC000218651824	343215786	/nfs/dbraw/zinc/21/57/86/343215786.db2.gz	HKDKBFXDGHKVAP-MNOVXSKESA-N	2	0	200.326	1.082	20	70		BDIDRP
C[C@@H](C[NH3+])C[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216873817	345744441	/nfs/dbraw/zinc/74/44/41/345744441.db2.gz	XVXVMTSAPNGIKT-FTPDJBBVSA-N	2	0	222.376	1.996	20	70		BDIDRP
CC[C@@H](C)[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C	ZINC000160095940	345797499	/nfs/dbraw/zinc/79/74/99/345797499.db2.gz	PDRUZIFOMQHFAQ-BFHYXJOUSA-N	2	0	241.423	1.647	20	70		BDIDRP
CN(CC[C@H]1CCC[N@@H+]1C)Cc1cnn(C)c1	ZINC000161304921	349419397	/nfs/dbraw/zinc/41/93/97/349419397.db2.gz	QGMYTPQBXXEEON-CYBMUJFWSA-N	2	0	236.363	1.336	20	70		BDIDRP
C1=CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1	ZINC000159988402	538881046	/nfs/dbraw/zinc/88/10/46/538881046.db2.gz	NJQDJLUCHWGFTA-STQMWFEESA-N	2	0	206.333	1.921	20	70		BDIDRP
C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(F)(F)F)C1	ZINC000159505520	361243179	/nfs/dbraw/zinc/24/31/79/361243179.db2.gz	JZMAPIHAFUACTD-SFYZADRCSA-N	2	0	210.243	1.608	20	70		BDIDRP
CC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1	ZINC000161105708	385218853	/nfs/dbraw/zinc/21/88/53/385218853.db2.gz	QEDCZNFWWCYMOQ-NEPJUHHUSA-N	2	0	214.353	1.031	20	70		BDIDRP
CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1	ZINC000218753922	411198087	/nfs/dbraw/zinc/19/80/87/411198087.db2.gz	MTXXITMGMXJCKE-MXWKQRLJSA-N	2	0	200.326	1.007	20	70		BDIDRP
C[C@@H]([NH3+])C[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216715287	411590803	/nfs/dbraw/zinc/59/08/03/411590803.db2.gz	OEBFWHMMZGQAGK-GLFGPFBSSA-N	2	0	208.349	1.748	20	70		BDIDRP
COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)[NH3+]	ZINC000218300756	487647535	/nfs/dbraw/zinc/64/75/35/487647535.db2.gz	UDXOIFGYNFHNMC-QWRGUYRKSA-N	2	0	222.332	1.563	20	70		BDIDRP
CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000218753379	535978854	/nfs/dbraw/zinc/97/88/54/535978854.db2.gz	CWXDTIMBXKHQQS-GRYCIOLGSA-N	2	0	214.353	1.255	20	70		BDIDRP
CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1	ZINC000217691538	357909901	/nfs/dbraw/zinc/90/99/01/357909901.db2.gz	ODYBMLJLZUEXEM-GMTAPVOTSA-N	2	0	200.326	1.007	20	70		BDIDRP
CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+]	ZINC000217721937	134250652	/nfs/dbraw/zinc/25/06/52/134250652.db2.gz	FSTVYYBAOIGCSS-WOPDTQHZSA-N	2	0	214.353	1.255	20	70		BDIDRP
CC[N@@H+]1CC[C@@H](NC2CC[NH+](C)CC2)[C@H](C)C1	ZINC000161450268	398282264	/nfs/dbraw/zinc/28/22/64/398282264.db2.gz	HGFZWJYZCSMVLW-TZMCWYRMSA-N	2	0	239.407	1.401	20	70		BDIDRP
CC[N@@H+]1CC[C@H](NC2CC[NH+](C)CC2)[C@H](C)C1	ZINC000161450122	398282667	/nfs/dbraw/zinc/28/26/67/398282667.db2.gz	HGFZWJYZCSMVLW-OCCSQVGLSA-N	2	0	239.407	1.401	20	70		BDIDRP
CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1	ZINC000217327757	346298561	/nfs/dbraw/zinc/29/85/61/346298561.db2.gz	CGJXJNQAQLNWOU-GMTAPVOTSA-N	2	0	216.394	1.988	20	70		BDIDRP
COC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1	ZINC000161141999	349374518	/nfs/dbraw/zinc/37/45/18/349374518.db2.gz	RCPNUVYNUGJKRI-IHRRRGAJSA-N	2	0	240.391	1.874	20	70		BDIDRP
Cc1nccn1CCCC[NH+]1CCN(C)CC1	ZINC000161244938	349415001	/nfs/dbraw/zinc/41/50/01/349415001.db2.gz	LFULNXMYIPACNA-UHFFFAOYSA-N	2	0	236.363	1.219	20	70		BDIDRP
CC[C@H](C)[N@H+](C)CCNC1CC[NH2+]CC1	ZINC000217889452	134250479	/nfs/dbraw/zinc/25/04/79/134250479.db2.gz	IXWSUMUJXQJFQL-NSHDSACASA-N	2	0	213.369	1.058	20	70		BDIDRP
COC[C@@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000160675842	384396924	/nfs/dbraw/zinc/39/69/24/384396924.db2.gz	BSZYMWCIXYJYAP-WDEREUQCSA-N	2	0	200.326	1.001	20	70		BDIDRP
CC(C)[N@@H+](CCC[NH+]1CCCCC1)C[C@H](C)O	ZINC000161008723	384474851	/nfs/dbraw/zinc/47/48/51/384474851.db2.gz	IDGUSBYNEXKSMO-AWEZNQCLSA-N	2	0	242.407	1.954	20	70		BDIDRP
C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCOC1	ZINC000161027127	349363873	/nfs/dbraw/zinc/36/38/73/349363873.db2.gz	AFNWDBFJZJVSSY-RQJABVFESA-N	2	0	240.391	1.874	20	70		BDIDRP
OCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1	ZINC000159700680	538878788	/nfs/dbraw/zinc/87/87/88/538878788.db2.gz	SRLBCJRIZCFZKP-UHFFFAOYSA-N	2	0	240.391	1.613	20	70		BDIDRP
C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(F)cc1	ZINC000218299976	487647405	/nfs/dbraw/zinc/64/74/05/487647405.db2.gz	XIYHAARGCWDGHR-NXEZZACHSA-N	2	0	210.296	1.694	20	70		BDIDRP
CC[C@](C)(O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1	ZINC000161222653	384933678	/nfs/dbraw/zinc/93/36/78/384933678.db2.gz	ZZOAPIMSXOIOIT-OLZOCXBDSA-N	2	0	228.380	1.421	20	70		BDIDRP
CC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CC)C1	ZINC000161419480	385024609	/nfs/dbraw/zinc/02/46/09/385024609.db2.gz	MJINACIOYSNHCZ-CHWSQXEVSA-N	2	0	228.380	1.421	20	70		BDIDRP
CC[C@@H](COC)[NH2+][C@H]1CCC[NH2+]CC1	ZINC000160683773	388083748	/nfs/dbraw/zinc/08/37/48/388083748.db2.gz	WMGFIDACUKEPNE-QWRGUYRKSA-N	2	0	200.326	1.143	20	70		BDIDRP
CC[N@H+](CCO)CCC[NH+]1CCCCC1	ZINC000160902193	388099585	/nfs/dbraw/zinc/09/95/85/388099585.db2.gz	GOJOYAQDSIQHOG-UHFFFAOYSA-N	2	0	214.353	1.177	20	70		BDIDRP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)nc1	ZINC000216715218	592072631	/nfs/dbraw/zinc/07/26/31/592072631.db2.gz	GUHNBXGHKHHQCL-QWRGUYRKSA-N	2	0	239.750	1.952	20	70		BDIDRP
COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1	ZINC000161142247	349374523	/nfs/dbraw/zinc/37/45/23/349374523.db2.gz	RCPNUVYNUGJKRI-RDBSUJKOSA-N	2	0	240.391	1.874	20	70		BDIDRP
C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000159978036	361295649	/nfs/dbraw/zinc/29/56/49/361295649.db2.gz	KQNWNHQFQMWAFK-FDYHWXHSSA-N	2	0	208.349	1.859	20	70		BDIDRP
COC[C@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000160675972	388083604	/nfs/dbraw/zinc/08/36/04/388083604.db2.gz	BSZYMWCIXYJYAP-GHMZBOCLSA-N	2	0	200.326	1.001	20	70		BDIDRP
CC(C)OCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161348057	538915214	/nfs/dbraw/zinc/91/52/14/538915214.db2.gz	LYQIFDWHXPTZEM-UHFFFAOYSA-N	2	0	249.358	1.629	20	70		BDIDRP
C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C2CC2)CC1	ZINC000161496095	349465645	/nfs/dbraw/zinc/46/56/45/349465645.db2.gz	VCRYJBDEJNUDSA-ZDUSSCGKSA-N	2	0	237.391	1.251	20	70		BDIDRP
CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1	ZINC000217722857	357911706	/nfs/dbraw/zinc/91/17/06/357911706.db2.gz	JJQKOKQOVPDDHL-VWYCJHECSA-N	2	0	200.326	1.007	20	70		BDIDRP
Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)[NH3+]	ZINC000218299439	487647508	/nfs/dbraw/zinc/64/75/08/487647508.db2.gz	DWOWGYPWDJOTOI-VXGBXAGGSA-N	2	0	206.333	1.863	20	70		BDIDRP
COCC[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	ZINC000159507136	345439389	/nfs/dbraw/zinc/43/93/89/345439389.db2.gz	LGRBKLUTXMBCKX-AXFHLTTASA-N	2	0	200.326	1.081	20	70		BDIDRP
OC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000161253359	349416533	/nfs/dbraw/zinc/41/65/33/349416533.db2.gz	YCETYMZPKLDFIP-AWEZNQCLSA-N	2	0	240.391	1.567	20	70		BDIDRP
CC[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+]	ZINC000218753471	134260044	/nfs/dbraw/zinc/26/00/44/134260044.db2.gz	CWXDTIMBXKHQQS-WOPDTQHZSA-N	2	0	214.353	1.255	20	70		BDIDRP
CCOCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	ZINC000159504572	361241795	/nfs/dbraw/zinc/24/17/95/361241795.db2.gz	YOEJPNQXGVUCCV-MNOVXSKESA-N	2	0	200.326	1.082	20	70		BDIDRP
C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CN1C1CC1	ZINC000160854194	361331233	/nfs/dbraw/zinc/33/12/33/361331233.db2.gz	OXFNASPAKCNEQK-CKYFFXLPSA-N	2	0	208.349	2.000	20	70		BDIDRP
COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)[NH3+]	ZINC000218300618	411435165	/nfs/dbraw/zinc/43/51/65/411435165.db2.gz	UDXOIFGYNFHNMC-MNOVXSKESA-N	2	0	222.332	1.563	20	70		BDIDRP
CCC[N@H+](CCO)CCC[NH+]1CCCCC1	ZINC000161276346	349414167	/nfs/dbraw/zinc/41/41/67/349414167.db2.gz	XNLAXDXGIULPAN-UHFFFAOYSA-N	2	0	228.380	1.567	20	70		BDIDRP
CC(C)OCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	ZINC000159503093	361241878	/nfs/dbraw/zinc/24/18/78/361241878.db2.gz	YHVYZVYHIKVTIX-MNOVXSKESA-N	2	0	200.326	1.081	20	70		BDIDRP
CCCC[N@H+](CCO)CCC[NH+]1CCCCC1	ZINC000160902785	388099385	/nfs/dbraw/zinc/09/93/85/388099385.db2.gz	CEDYHXPIRKRTCE-UHFFFAOYSA-N	2	0	242.407	1.957	20	70		BDIDRP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)nc1	ZINC000216715126	592072791	/nfs/dbraw/zinc/07/27/91/592072791.db2.gz	GUHNBXGHKHHQCL-MNOVXSKESA-N	2	0	239.750	1.952	20	70		BDIDRP
CC[C@H](Cc1ccc(C)cc1)[NH2+]CCN	ZINC000218286977	345745290	/nfs/dbraw/zinc/74/52/90/345745290.db2.gz	HKSOTLKGTUGERG-CYBMUJFWSA-N	2	0	206.333	1.864	20	70		BDIDRP
OC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000160707577	349317314	/nfs/dbraw/zinc/31/73/14/349317314.db2.gz	CUMWSYLUYVYMRC-CYBMUJFWSA-N	2	0	226.364	1.319	20	70		BDIDRP
C1=CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1	ZINC000159988146	538881137	/nfs/dbraw/zinc/88/11/37/538881137.db2.gz	NJQDJLUCHWGFTA-OLZOCXBDSA-N	2	0	206.333	1.921	20	70		BDIDRP
CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CCOC	ZINC000160140708	388047944	/nfs/dbraw/zinc/04/79/44/388047944.db2.gz	BWGUQWBYQRKPMN-NWDGAFQWSA-N	2	0	216.369	1.731	20	70		BDIDRP
C[N@@H+]1CCC[C@H]1CC[NH+]1CCCSCC1	ZINC000161477095	349458091	/nfs/dbraw/zinc/45/80/91/349458091.db2.gz	XZWLRIQSLACOIH-LBPRGKRZSA-N	2	0	228.405	1.910	20	70		BDIDRP
CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCN	ZINC000218280400	345745233	/nfs/dbraw/zinc/74/52/33/345745233.db2.gz	VSOYXVBPPNVRLG-CYBMUJFWSA-N	2	0	224.323	1.941	20	70		BDIDRP
C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCOC1	ZINC000161026995	349363973	/nfs/dbraw/zinc/36/39/73/349363973.db2.gz	AFNWDBFJZJVSSY-FQUUOJAGSA-N	2	0	240.391	1.874	20	70		BDIDRP
CC(C)[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](C)O	ZINC000161008572	384471715	/nfs/dbraw/zinc/47/17/15/384471715.db2.gz	IDGUSBYNEXKSMO-CQSZACIVSA-N	2	0	242.407	1.954	20	70		BDIDRP
CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCn1ccnc1	ZINC000159842398	388033375	/nfs/dbraw/zinc/03/33/75/388033375.db2.gz	YYBHZIBZWILUFQ-CHWSQXEVSA-N	2	0	237.347	1.509	20	70		BDIDRP
C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(F)cc1	ZINC000218300027	487647345	/nfs/dbraw/zinc/64/73/45/487647345.db2.gz	XIYHAARGCWDGHR-UWVGGRQHSA-N	2	0	210.296	1.694	20	70		BDIDRP
C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCOC1	ZINC000161026881	349363798	/nfs/dbraw/zinc/36/37/98/349363798.db2.gz	AFNWDBFJZJVSSY-SYQHCUMBSA-N	2	0	240.391	1.874	20	70		BDIDRP
CC[C@@H](C)[N@H+](C)CCNC1CC[NH2+]CC1	ZINC000217889375	134250476	/nfs/dbraw/zinc/25/04/76/134250476.db2.gz	IXWSUMUJXQJFQL-LLVKDONJSA-N	2	0	213.369	1.058	20	70		BDIDRP
CCCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1	ZINC000218738716	134259863	/nfs/dbraw/zinc/25/98/63/134259863.db2.gz	JDFQWRCPTCOMSZ-RYUDHWBXSA-N	2	0	214.353	1.472	20	70		BDIDRP
CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1	ZINC000161284030	384961226	/nfs/dbraw/zinc/96/12/26/384961226.db2.gz	OYTYKJWAVHQRGU-AAEUAGOBSA-N	2	0	241.379	1.010	20	70		BDIDRP
CSCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1	ZINC000160063802	387041990	/nfs/dbraw/zinc/04/19/90/387041990.db2.gz	UFLMQBAVLDLKJQ-JTQLQIEISA-N	2	0	202.367	1.281	20	70		BDIDRP
CCC[N@H+](CC)CCNC1CC[NH2+]CC1	ZINC000217719825	134250491	/nfs/dbraw/zinc/25/04/91/134250491.db2.gz	NREVJQRODKFUIQ-UHFFFAOYSA-N	2	0	213.369	1.060	20	70		BDIDRP
OC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161338411	349424398	/nfs/dbraw/zinc/42/43/98/349424398.db2.gz	CUMWSYLUYVYMRC-ZDUSSCGKSA-N	2	0	226.364	1.319	20	70		BDIDRP
CSC[C@H](CCO)[NH2+][C@@H]1CCN(C)[C@H](C)C1	ZINC000160167181	353361558	/nfs/dbraw/zinc/36/15/58/353361558.db2.gz	MWGGXJHHYDHBAD-UTUOFQBUSA-N	2	0	246.420	1.173	20	70		BDIDRP
Cc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)no1	ZINC000217183311	134229919	/nfs/dbraw/zinc/22/99/19/134229919.db2.gz	SZHYJVZZKDYQGP-KWQFWETISA-N	2	0	209.293	1.152	20	70		BDIDRP
O[C@H]1CCCN(CCC[NH+]2CCCCC2)C1	ZINC000161252003	398062898	/nfs/dbraw/zinc/06/28/98/398062898.db2.gz	MOSNUUJYNBSDMI-ZDUSSCGKSA-N	2	0	226.364	1.319	20	70		BDIDRP
COCCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1	ZINC000159455949	361236883	/nfs/dbraw/zinc/23/68/83/361236883.db2.gz	CHYNVRUJSFVIFB-WDEREUQCSA-N	2	0	200.326	1.082	20	70		BDIDRP
CC[C@@H](COC)[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000160683512	361324149	/nfs/dbraw/zinc/32/41/49/361324149.db2.gz	WMGFIDACUKEPNE-WDEREUQCSA-N	2	0	200.326	1.143	20	70		BDIDRP
CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCn1ccnc1	ZINC000159842139	388032684	/nfs/dbraw/zinc/03/26/84/388032684.db2.gz	YYBHZIBZWILUFQ-QWHCGFSZSA-N	2	0	237.347	1.509	20	70		BDIDRP
COC[C@@H](C)C[NH2+][C@H]1CCC[NH2+]CC1	ZINC000160676108	388083338	/nfs/dbraw/zinc/08/33/38/388083338.db2.gz	BSZYMWCIXYJYAP-QWRGUYRKSA-N	2	0	200.326	1.001	20	70		BDIDRP
[NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1	ZINC000218469965	592156492	/nfs/dbraw/zinc/15/64/92/592156492.db2.gz	SIKLNFQMZFYTHT-RYUDHWBXSA-N	2	0	212.337	1.226	20	70		BDIDRP
COCCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	ZINC000159456338	361236921	/nfs/dbraw/zinc/23/69/21/361236921.db2.gz	CHYNVRUJSFVIFB-MNOVXSKESA-N	2	0	200.326	1.082	20	70		BDIDRP
CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCn1ccnc1	ZINC000159842032	388033622	/nfs/dbraw/zinc/03/36/22/388033622.db2.gz	YYBHZIBZWILUFQ-STQMWFEESA-N	2	0	237.347	1.509	20	70		BDIDRP
CC[C@H](C)N(C)CC[NH2+][C@@H](C)CCOC	ZINC000160140835	388048289	/nfs/dbraw/zinc/04/82/89/388048289.db2.gz	BWGUQWBYQRKPMN-RYUDHWBXSA-N	2	0	216.369	1.731	20	70		BDIDRP
C[C@H]([NH3+])C[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216715235	411590662	/nfs/dbraw/zinc/59/06/62/411590662.db2.gz	OEBFWHMMZGQAGK-DDNJXNFVSA-N	2	0	208.349	1.748	20	70		BDIDRP
COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)[NH3+]	ZINC000218300804	487647318	/nfs/dbraw/zinc/64/73/18/487647318.db2.gz	UDXOIFGYNFHNMC-WDEREUQCSA-N	2	0	222.332	1.563	20	70		BDIDRP
CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000217690609	136278044	/nfs/dbraw/zinc/27/80/44/136278044.db2.gz	KYOOFLBEPZMQLV-IJLUTSLNSA-N	2	0	214.353	1.255	20	70		BDIDRP
CC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1C[NH3+]	ZINC000217690774	136278101	/nfs/dbraw/zinc/27/81/01/136278101.db2.gz	KYOOFLBEPZMQLV-UTUOFQBUSA-N	2	0	214.353	1.255	20	70		BDIDRP
C[C@H](C[NH3+])C[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000216873861	345744297	/nfs/dbraw/zinc/74/42/97/345744297.db2.gz	XVXVMTSAPNGIKT-UIBFTYAWSA-N	2	0	222.376	1.996	20	70		BDIDRP
CC(C)(C)[NH2+]CC[NH2+]CC1CCOCC1	ZINC000161449928	385064597	/nfs/dbraw/zinc/06/45/97/385064597.db2.gz	VXAKXSMJDTWFPU-UHFFFAOYSA-N	2	0	214.353	1.391	20	70		BDIDRP
CSC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000159983226	388042514	/nfs/dbraw/zinc/04/25/14/388042514.db2.gz	QIMFCPBUIWBUOP-SDDRHHMPSA-N	2	0	228.405	1.954	20	70		BDIDRP
Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)[NH3+]	ZINC000218299495	487647468	/nfs/dbraw/zinc/64/74/68/487647468.db2.gz	DWOWGYPWDJOTOI-NEPJUHHUSA-N	2	0	206.333	1.863	20	70		BDIDRP
Cc1c[nH+]ccc1N[C@H]1CCC[NH2+][C@H]1C	ZINC000160552195	179713486	/nfs/dbraw/zinc/71/34/86/179713486.db2.gz	BLDWZEGHXXRKKN-JQWIXIFHSA-N	2	0	205.305	1.942	20	70		BDIDRP
C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCOC1	ZINC000161396952	349428335	/nfs/dbraw/zinc/42/83/35/349428335.db2.gz	PHCWBCUGVVGTKD-AWEZNQCLSA-N	2	0	240.391	1.831	20	70		BDIDRP
CCOCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161285092	538111609	/nfs/dbraw/zinc/11/16/09/538111609.db2.gz	CDIKBGMARBXAIW-UHFFFAOYSA-N	2	0	235.331	1.240	20	70		BDIDRP
C1=CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1	ZINC000159988023	538881115	/nfs/dbraw/zinc/88/11/15/538881115.db2.gz	NJQDJLUCHWGFTA-CHWSQXEVSA-N	2	0	206.333	1.921	20	70		BDIDRP
COCCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	ZINC000159456095	361237248	/nfs/dbraw/zinc/23/72/48/361237248.db2.gz	CHYNVRUJSFVIFB-GHMZBOCLSA-N	2	0	200.326	1.082	20	70		BDIDRP
CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CC)C1	ZINC000161391227	384485940	/nfs/dbraw/zinc/48/59/40/384485940.db2.gz	GDVXPUZILIQSNS-UONOGXRCSA-N	2	0	242.407	1.811	20	70		BDIDRP
CSCC[N@H+](C)C[C@H]1CCC[NH2+]C1	ZINC000160042478	388043891	/nfs/dbraw/zinc/04/38/91/388043891.db2.gz	RKUIUNXEHOAEFX-JTQLQIEISA-N	2	0	202.367	1.281	20	70		BDIDRP
Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)[NH3+]	ZINC000218299565	487647098	/nfs/dbraw/zinc/64/70/98/487647098.db2.gz	DWOWGYPWDJOTOI-NWDGAFQWSA-N	2	0	206.333	1.863	20	70		BDIDRP
C[C@H]1CCCC[N@@H+]1CCCCNC(N)=[NH2+]	ZINC000161508158	136277281	/nfs/dbraw/zinc/27/72/81/136277281.db2.gz	CLQFBWTYPBNJLM-JTQLQIEISA-N	2	0	212.341	1.124	20	70		BDIDRP
CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000217721780	134250331	/nfs/dbraw/zinc/25/03/31/134250331.db2.gz	FSTVYYBAOIGCSS-GRYCIOLGSA-N	2	0	214.353	1.255	20	70		BDIDRP
CCOCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	ZINC000159504711	361241866	/nfs/dbraw/zinc/24/18/66/361241866.db2.gz	YOEJPNQXGVUCCV-GHMZBOCLSA-N	2	0	200.326	1.082	20	70		BDIDRP
CC[C@H](COC)[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000160683642	361324124	/nfs/dbraw/zinc/32/41/24/361324124.db2.gz	WMGFIDACUKEPNE-GHMZBOCLSA-N	2	0	200.326	1.143	20	70		BDIDRP
CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1	ZINC000218754006	411198097	/nfs/dbraw/zinc/19/80/97/411198097.db2.gz	MTXXITMGMXJCKE-VWYCJHECSA-N	2	0	200.326	1.007	20	70		BDIDRP
COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1	ZINC000161141886	349374560	/nfs/dbraw/zinc/37/45/60/349374560.db2.gz	RCPNUVYNUGJKRI-MJBXVCDLSA-N	2	0	240.391	1.874	20	70		BDIDRP
C1=CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1	ZINC000159988273	538880952	/nfs/dbraw/zinc/88/09/52/538880952.db2.gz	NJQDJLUCHWGFTA-QWHCGFSZSA-N	2	0	206.333	1.921	20	70		BDIDRP
COCCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1	ZINC000159456234	361237207	/nfs/dbraw/zinc/23/72/07/361237207.db2.gz	CHYNVRUJSFVIFB-QWRGUYRKSA-N	2	0	200.326	1.082	20	70		BDIDRP
CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1	ZINC000161283814	384959166	/nfs/dbraw/zinc/95/91/66/384959166.db2.gz	OYTYKJWAVHQRGU-WCQYABFASA-N	2	0	241.379	1.010	20	70		BDIDRP
COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1	ZINC000161142123	349374365	/nfs/dbraw/zinc/37/43/65/349374365.db2.gz	RCPNUVYNUGJKRI-MCIONIFRSA-N	2	0	240.391	1.874	20	70		BDIDRP
COCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1	ZINC000218651893	363130714	/nfs/dbraw/zinc/13/07/14/363130714.db2.gz	HKDKBFXDGHKVAP-QWRGUYRKSA-N	2	0	200.326	1.082	20	70		BDIDRP
CC[C@](C)(O)C[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000160665448	388082687	/nfs/dbraw/zinc/08/26/87/388082687.db2.gz	HYOKLYYIOSSAGL-AWEZNQCLSA-N	2	0	242.407	1.811	20	70		BDIDRP
CSCC[N@H+](C)C[C@]1(C)CC[NH2+]C1	ZINC000160063937	388044873	/nfs/dbraw/zinc/04/48/73/388044873.db2.gz	UFLMQBAVLDLKJQ-SNVBAGLBSA-N	2	0	202.367	1.281	20	70		BDIDRP
C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccccc1F	ZINC000218300440	487647142	/nfs/dbraw/zinc/64/71/42/487647142.db2.gz	CGYUQCCQTUIIEZ-NXEZZACHSA-N	2	0	210.296	1.694	20	70		BDIDRP
C[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)C1CC1	ZINC000161465480	538915815	/nfs/dbraw/zinc/91/58/15/538915815.db2.gz	QARDEIISHNDYDO-CQSZACIVSA-N	2	0	240.391	1.565	20	70		BDIDRP
CC[C@H](CSC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1	ZINC000217327760	346298600	/nfs/dbraw/zinc/29/86/00/346298600.db2.gz	CGJXJNQAQLNWOU-MXWKQRLJSA-N	2	0	216.394	1.988	20	70		BDIDRP
C[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CCOC1	ZINC000161397076	349428437	/nfs/dbraw/zinc/42/84/37/349428437.db2.gz	PHCWBCUGVVGTKD-CQSZACIVSA-N	2	0	240.391	1.831	20	70		BDIDRP
CC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1	ZINC000217691723	357909874	/nfs/dbraw/zinc/90/98/74/357909874.db2.gz	ODYBMLJLZUEXEM-MXWKQRLJSA-N	2	0	200.326	1.007	20	70		BDIDRP
COC[C@H](C)C[NH2+][C@H]1CCC[NH2+]CC1	ZINC000160676257	384400858	/nfs/dbraw/zinc/40/08/58/384400858.db2.gz	BSZYMWCIXYJYAP-MNOVXSKESA-N	2	0	200.326	1.001	20	70		BDIDRP
CCC([NH3+])(CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C	ZINC000160444138	387090881	/nfs/dbraw/zinc/09/08/81/387090881.db2.gz	ARBSFIKSJQCRHZ-LLVKDONJSA-N	2	0	243.395	1.206	20	70		BDIDRP
CC[C@@](C)(O)C[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000160665577	388082631	/nfs/dbraw/zinc/08/26/31/388082631.db2.gz	HYOKLYYIOSSAGL-CQSZACIVSA-N	2	0	242.407	1.811	20	70		BDIDRP
C[C@@H](NCCC[NH3+])c1ccc(Cl)cn1	ZINC000218189982	345744885	/nfs/dbraw/zinc/74/48/85/345744885.db2.gz	LHKHWAPKNPKNKN-MRVPVSSYSA-N	2	0	213.712	1.734	20	70		BDIDRP
C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(F)(F)F)C1	ZINC000159505241	361241187	/nfs/dbraw/zinc/24/11/87/361241187.db2.gz	JZMAPIHAFUACTD-HTQZYQBOSA-N	2	0	210.243	1.608	20	70		BDIDRP
CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1	ZINC000161314880	384966611	/nfs/dbraw/zinc/96/66/11/384966611.db2.gz	YOLRWPQHFYBJCG-KGLIPLIRSA-N	2	0	242.407	1.811	20	70		BDIDRP
CC[C@H](O)[C@H]1CCCC[N@@H+]1CCn1ccnc1	ZINC000159842283	388032758	/nfs/dbraw/zinc/03/27/58/388032758.db2.gz	YYBHZIBZWILUFQ-OLZOCXBDSA-N	2	0	237.347	1.509	20	70		BDIDRP
CN(CCC[NH+]1CCCCC1)[C@H]1CCOC1	ZINC000161006676	384469245	/nfs/dbraw/zinc/46/92/45/384469245.db2.gz	SQVZVGOUNRFXJX-ZDUSSCGKSA-N	2	0	226.364	1.583	20	70		BDIDRP
C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCOC1	ZINC000161026747	134835177	/nfs/dbraw/zinc/83/51/77/134835177.db2.gz	AFNWDBFJZJVSSY-DGAVXFQQSA-N	2	0	240.391	1.874	20	70		BDIDRP
C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[NH3+]	ZINC000218300085	487647383	/nfs/dbraw/zinc/64/73/83/487647383.db2.gz	XIYHAARGCWDGHR-VHSXEESVSA-N	2	0	210.296	1.694	20	70		BDIDRP
CCCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1	ZINC000218738656	134259754	/nfs/dbraw/zinc/25/97/54/134259754.db2.gz	JDFQWRCPTCOMSZ-NWDGAFQWSA-N	2	0	214.353	1.472	20	70		BDIDRP
C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1	ZINC000218423036	134254573	/nfs/dbraw/zinc/25/45/73/134254573.db2.gz	VSSMFRZEVFEYCB-VXGBXAGGSA-N	2	0	212.337	1.097	20	70		BDIDRP
C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)[NH3+]	ZINC000218300535	411435289	/nfs/dbraw/zinc/43/52/89/411435289.db2.gz	CGYUQCCQTUIIEZ-VHSXEESVSA-N	2	0	210.296	1.694	20	70		BDIDRP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)nc1	ZINC000216715172	592072485	/nfs/dbraw/zinc/07/24/85/592072485.db2.gz	GUHNBXGHKHHQCL-WDEREUQCSA-N	2	0	239.750	1.952	20	70		BDIDRP
COCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1	ZINC000217749861	134249586	/nfs/dbraw/zinc/24/95/86/134249586.db2.gz	VICKWRAWTYSDCB-WDEREUQCSA-N	2	0	200.326	1.082	20	70		BDIDRP
CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1	ZINC000161284154	200710802	/nfs/dbraw/zinc/71/08/02/200710802.db2.gz	OYTYKJWAVHQRGU-YPMHNXCESA-N	2	0	241.379	1.010	20	70		BDIDRP
C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCSCC1	ZINC000161476951	384492150	/nfs/dbraw/zinc/49/21/50/384492150.db2.gz	XZWLRIQSLACOIH-GFCCVEGCSA-N	2	0	228.405	1.910	20	70		BDIDRP
CC[C@@](C)(O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1	ZINC000161222802	384935353	/nfs/dbraw/zinc/93/53/53/384935353.db2.gz	ZZOAPIMSXOIOIT-CHWSQXEVSA-N	2	0	228.380	1.421	20	70		BDIDRP
CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000159982974	388042183	/nfs/dbraw/zinc/04/21/83/388042183.db2.gz	QIMFCPBUIWBUOP-QJPTWQEYSA-N	2	0	228.405	1.954	20	70		BDIDRP
OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000160569035	388074208	/nfs/dbraw/zinc/07/42/08/388074208.db2.gz	KQFOABMTUWWMLQ-AWEZNQCLSA-N	2	0	240.391	1.709	20	70		BDIDRP
C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1F	ZINC000218300383	487647061	/nfs/dbraw/zinc/64/70/61/487647061.db2.gz	CGYUQCCQTUIIEZ-ZJUUUORDSA-N	2	0	210.296	1.694	20	70		BDIDRP