smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCCC1	ZINC000161014634	292798080	/nfs/dbraw/zinc/79/80/80/292798080.db2.gz	KCINDOPIAKLRFV-DZGCQCFKSA-N	2	0	275.396	1.157	10	70		CDIERP
CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1	ZINC000159877400	277167247	/nfs/dbraw/zinc/16/72/47/277167247.db2.gz	VNBMYBAGEHDJRS-HZSPNIEDSA-N	2	0	281.444	1.802	10	70		CDIERP
C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2=O)CC[N@@H+]1C	ZINC000159472262	278025352	/nfs/dbraw/zinc/02/53/52/278025352.db2.gz	YXUBUMYJFSWJQS-CHWSQXEVSA-N	2	0	253.390	1.071	10	70		CDIERP
CC[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000160603602	523660011	/nfs/dbraw/zinc/66/00/11/523660011.db2.gz	KUJKLXYGEBUORO-OAHLLOKOSA-N	2	0	270.417	1.192	10	70		CDIERP
COC[C@](C)(CCO)[NH2+]CCC[NH+]1CCCCC1	ZINC000161407894	522880477	/nfs/dbraw/zinc/88/04/77/522880477.db2.gz	WGDVPLOJRJGFDS-AWEZNQCLSA-N	2	0	258.406	1.240	10	70		CDIERP
CCC[C@H](C(=O)N1CCN(CCOCC)[C@H](C)C1)[NH+](C)C	ZINC000160883525	362193557	/nfs/dbraw/zinc/19/35/57/362193557.db2.gz	MYKGOGTZPDCFTM-HUUCEWRRSA-N	2	0	299.459	1.286	10	70		CDIERP
COCC[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C	ZINC000161342944	523852659	/nfs/dbraw/zinc/85/26/59/523852659.db2.gz	FLPCDUCKNDSFRO-INIZCTEOSA-N	2	0	283.460	1.515	10	70		CDIERP
C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1	ZINC000161375959	377605950	/nfs/dbraw/zinc/60/59/50/377605950.db2.gz	VYGAZNKUWBZYGK-JPIQDLEPSA-N	2	0	293.455	1.754	10	70		CDIERP
CCC[C@@H](C(=O)N1CCN(CCOCC)[C@H](C)C1)[NH+](C)C	ZINC000160883385	362192683	/nfs/dbraw/zinc/19/26/83/362192683.db2.gz	MYKGOGTZPDCFTM-CABCVRRESA-N	2	0	299.459	1.286	10	70		CDIERP
[NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000159747321	147703461	/nfs/dbraw/zinc/70/34/61/147703461.db2.gz	NAZRQXKPEMIBRT-ZIAGYGMSSA-N	2	0	265.401	1.104	10	70		CDIERP
CC(C)[NH2+]CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161499565	292807325	/nfs/dbraw/zinc/80/73/25/292807325.db2.gz	VHMFMCKCFCIRCH-FUNVUKJBSA-N	2	0	253.390	1.116	10	70		CDIERP
CC(C)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217039820	538466233	/nfs/dbraw/zinc/46/62/33/538466233.db2.gz	SRDQLGNKFBJNCL-ZNMIVQPWSA-N	2	0	281.444	1.611	10	70		CDIERP
CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1	ZINC000217921637	140164297	/nfs/dbraw/zinc/16/42/97/140164297.db2.gz	GNQPGEJXTKWFNX-HUUCEWRRSA-N	2	0	275.396	1.677	10	70		CDIERP
C[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1	ZINC000161339160	526219905	/nfs/dbraw/zinc/21/99/05/526219905.db2.gz	UHIRGANQBAJPGI-SLHHOWHOSA-N	2	0	293.455	1.754	10	70		CDIERP
Cn1cnnc1CN1CC[C@@H](CNc2ccccn2)C1	ZINC000160910521	362205624	/nfs/dbraw/zinc/20/56/24/362205624.db2.gz	XRGZWYQPFKHXFF-LBPRGKRZSA-N	2	0	272.356	1.144	10	70		CDIERP
CC[C@H](C(N)=O)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000216738796	276612017	/nfs/dbraw/zinc/61/20/17/276612017.db2.gz	MPHPYYIHHDSILX-KCQAQPDRSA-N	2	0	297.443	1.072	10	70		CDIERP
CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161375458	523897675	/nfs/dbraw/zinc/89/76/75/523897675.db2.gz	KRDYOLGMLDLBCY-ZBBUEOHVSA-N	2	0	265.401	1.245	10	70		CDIERP
C[C@H](O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1	ZINC000161355491	525700460	/nfs/dbraw/zinc/70/04/60/525700460.db2.gz	GGNKMNOZBWVJSO-AWEZNQCLSA-N	2	0	254.418	1.955	10	70		CDIERP
CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[NH+](C)C	ZINC000159978946	361985610	/nfs/dbraw/zinc/98/56/10/361985610.db2.gz	FMFIDNHPGOGTTN-CHWSQXEVSA-N	2	0	257.422	1.563	10	70		CDIERP
[NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000159747457	361824086	/nfs/dbraw/zinc/82/40/86/361824086.db2.gz	NAZRQXKPEMIBRT-KBPBESRZSA-N	2	0	265.401	1.104	10	70		CDIERP
C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)CC[N@@H+]1C	ZINC000159472611	361709181	/nfs/dbraw/zinc/70/91/81/361709181.db2.gz	YXUBUMYJFSWJQS-STQMWFEESA-N	2	0	253.390	1.071	10	70		CDIERP
[NH3+]CCCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160580115	295227848	/nfs/dbraw/zinc/22/78/48/295227848.db2.gz	DBVCODIIMKNROR-BETUJISGSA-N	2	0	253.390	1.249	10	70		CDIERP
CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000161269811	391579985	/nfs/dbraw/zinc/57/99/85/391579985.db2.gz	KQLVYUAAYILVLR-CYBMUJFWSA-N	2	0	269.433	1.742	10	70		CDIERP
CCC[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+](C)C	ZINC000161367040	377601578	/nfs/dbraw/zinc/60/15/78/377601578.db2.gz	OXDRNJZBZZTAOB-CQSZACIVSA-N	2	0	267.417	1.460	10	70		CDIERP
CCC[C@@H](C(=O)NCC[NH+]1CCCCCC1)[NH+](C)C	ZINC000159869924	292772125	/nfs/dbraw/zinc/77/21/25/292772125.db2.gz	UQJJXHRKGGHQNU-AWEZNQCLSA-N	2	0	269.433	1.709	10	70		CDIERP
CC[C@](C)(O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000160603453	523492581	/nfs/dbraw/zinc/49/25/81/523492581.db2.gz	KUJKLXYGEBUORO-HNNXBMFYSA-N	2	0	270.417	1.192	10	70		CDIERP
CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C	ZINC000161251528	519613794	/nfs/dbraw/zinc/61/37/94/519613794.db2.gz	YWQQECGFOICJRQ-STQMWFEESA-N	2	0	255.406	1.172	10	70		CDIERP
CCC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)[NH+](C)C	ZINC000161075791	292799915	/nfs/dbraw/zinc/79/99/15/292799915.db2.gz	OTTLOIOZOHTICG-CQSZACIVSA-N	2	0	269.433	1.706	10	70		CDIERP
[NH3+]Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1	ZINC000160371905	303432004	/nfs/dbraw/zinc/43/20/04/303432004.db2.gz	OUOINSSJGINTGL-OKILXGFUSA-N	2	0	259.353	1.112	10	70		CDIERP
C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1	ZINC000159633456	390940465	/nfs/dbraw/zinc/94/04/65/390940465.db2.gz	NLQCIVKLNFSCHE-IYBDPMFKSA-N	2	0	287.407	1.715	10	70		CDIERP
CC[C@@](C)(O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000161013780	391578141	/nfs/dbraw/zinc/57/81/41/391578141.db2.gz	SVCCHAUSCRFUNI-JKSUJKDBSA-N	2	0	283.460	1.249	10	70		CDIERP
C[C@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@@H+]1C	ZINC000161418331	364491029	/nfs/dbraw/zinc/49/10/29/364491029.db2.gz	IDUILYLHJRZULI-CWRNSKLLSA-N	2	0	262.397	1.835	10	70		CDIERP
Cn1cnnc1CN1CC[C@H](CNc2ccccn2)C1	ZINC000160910409	362204757	/nfs/dbraw/zinc/20/47/57/362204757.db2.gz	XRGZWYQPFKHXFF-GFCCVEGCSA-N	2	0	272.356	1.144	10	70		CDIERP
CCC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+](C)C	ZINC000159902417	363437073	/nfs/dbraw/zinc/43/70/73/363437073.db2.gz	YHVSCKMICRGGSG-KBPBESRZSA-N	2	0	269.433	1.707	10	70		CDIERP
CC(C)[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000161234921	377502931	/nfs/dbraw/zinc/50/29/31/377502931.db2.gz	CZQZXCJBCGKKFO-JSGCOSHPSA-N	2	0	267.417	1.173	10	70		CDIERP
C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@@H+]1C	ZINC000161418428	364491109	/nfs/dbraw/zinc/49/11/09/364491109.db2.gz	IDUILYLHJRZULI-KBMXLJTQSA-N	2	0	262.397	1.835	10	70		CDIERP
CCC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)[NH+](C)C	ZINC000159979071	361985767	/nfs/dbraw/zinc/98/57/67/361985767.db2.gz	FMFIDNHPGOGTTN-STQMWFEESA-N	2	0	257.422	1.563	10	70		CDIERP
CCOCC[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C	ZINC000160949116	362566499	/nfs/dbraw/zinc/56/64/99/362566499.db2.gz	IGICGENBRXBSBQ-KRWDZBQOSA-N	2	0	297.487	1.905	10	70		CDIERP
OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCCC1	ZINC000161067550	527518403	/nfs/dbraw/zinc/51/84/03/527518403.db2.gz	IPNSGJRQSYLSFM-YIONKMFJSA-N	2	0	252.402	1.850	10	70		CDIERP
CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](CC)CC1	ZINC000159621481	361757027	/nfs/dbraw/zinc/75/70/27/361757027.db2.gz	LPMGJFZISYMNNH-CQSZACIVSA-N	2	0	284.448	1.454	10	70		CDIERP
COC[C@@](C)(CCO)[NH2+]CCC[NH+]1CCCCC1	ZINC000161407771	522522729	/nfs/dbraw/zinc/52/27/29/522522729.db2.gz	WGDVPLOJRJGFDS-CQSZACIVSA-N	2	0	258.406	1.240	10	70		CDIERP
C[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@@H+]1C	ZINC000161418585	364491087	/nfs/dbraw/zinc/49/10/87/364491087.db2.gz	IDUILYLHJRZULI-BPUTZDHNSA-N	2	0	262.397	1.835	10	70		CDIERP
CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)[C@@H]1CCSC1	ZINC000159974743	276115862	/nfs/dbraw/zinc/11/58/62/276115862.db2.gz	OBHDEHICYALZCH-CHWSQXEVSA-N	2	0	287.473	1.270	10	70		CDIERP
CC[C@H](O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380156	288111340	/nfs/dbraw/zinc/11/13/40/288111340.db2.gz	UHNCKEVOLVAIMS-INIZCTEOSA-N	2	0	283.460	1.251	10	70		CDIERP
O=C([C@@H]1[NH2+]CCc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000159875430	342370725	/nfs/dbraw/zinc/37/07/25/342370725.db2.gz	IYPAUFGXQBMTGX-IJEWVQPXSA-N	2	0	285.391	1.226	10	70		CDIERP
CC[C@](C)(O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000161013902	281291827	/nfs/dbraw/zinc/29/18/27/281291827.db2.gz	SVCCHAUSCRFUNI-CVEARBPZSA-N	2	0	283.460	1.249	10	70		CDIERP
c1ncn(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000161360667	526616057	/nfs/dbraw/zinc/61/60/57/526616057.db2.gz	FXPZTNRKCOPOEA-MRXNPFEDSA-N	2	0	291.443	1.866	10	70		CDIERP
CC(C)[N@H+](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161365824	362799113	/nfs/dbraw/zinc/79/91/13/362799113.db2.gz	RXBJLTQFCDGAOV-FUNVUKJBSA-N	2	0	253.390	1.068	10	70		CDIERP
CC[C@@](C)(O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000161014039	391577986	/nfs/dbraw/zinc/57/79/86/391577986.db2.gz	SVCCHAUSCRFUNI-HZPDHXFCSA-N	2	0	283.460	1.249	10	70		CDIERP
[NH3+][C@H]1CC[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)C1	ZINC000159765023	361839038	/nfs/dbraw/zinc/83/90/38/361839038.db2.gz	XTMIRWCMMWXCBH-OLZOCXBDSA-N	2	0	265.401	1.104	10	70		CDIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C	ZINC000159716536	363221505	/nfs/dbraw/zinc/22/15/05/363221505.db2.gz	MCLPPCCTUSNRLO-LSDHHAIUSA-N	2	0	296.459	1.500	10	70		CDIERP
C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@@H+]1C	ZINC000161418189	364491167	/nfs/dbraw/zinc/49/11/67/364491167.db2.gz	IDUILYLHJRZULI-VNQPRFMTSA-N	2	0	262.397	1.835	10	70		CDIERP
COCC[N@@H+]1CCN(Cc2cnc3ccccn23)C[C@H]1C	ZINC000159949261	361960971	/nfs/dbraw/zinc/96/09/71/361960971.db2.gz	GVVBKWVYYXIZDV-CQSZACIVSA-N	2	0	288.395	1.487	10	70		CDIERP
C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)CC[N@@H+]1C	ZINC000159472495	361709227	/nfs/dbraw/zinc/70/92/27/361709227.db2.gz	YXUBUMYJFSWJQS-OLZOCXBDSA-N	2	0	253.390	1.071	10	70		CDIERP
C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1	ZINC000217943344	367259572	/nfs/dbraw/zinc/25/95/72/367259572.db2.gz	MNDWHWCNSUTNGI-HZSPNIEDSA-N	2	0	267.417	1.352	10	70		CDIERP
C[C@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1	ZINC000217548803	140164044	/nfs/dbraw/zinc/16/40/44/140164044.db2.gz	YEWXHDJBFHPRSL-STQMWFEESA-N	2	0	293.386	1.674	10	70		CDIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000161120060	519691555	/nfs/dbraw/zinc/69/15/55/519691555.db2.gz	MZRIQMJBPBDLCB-ZBFHGGJFSA-N	2	0	295.471	1.952	10	70		CDIERP
CC[C@](C)(O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000161354148	529374028	/nfs/dbraw/zinc/37/40/28/529374028.db2.gz	NEBOQDQXSYSCDQ-INIZCTEOSA-N	2	0	284.444	1.724	10	70		CDIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000161234794	377502880	/nfs/dbraw/zinc/50/28/80/377502880.db2.gz	CZQZXCJBCGKKFO-OCCSQVGLSA-N	2	0	267.417	1.173	10	70		CDIERP
C[C@@H](O)C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1C	ZINC000161342021	287094869	/nfs/dbraw/zinc/09/48/69/287094869.db2.gz	QNHAATQFHGABLE-HZPDHXFCSA-N	2	0	283.460	1.249	10	70		CDIERP
CCC[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C	ZINC000159539927	362236228	/nfs/dbraw/zinc/23/62/28/362236228.db2.gz	IKBHIVRNGQZDKR-ZNMIVQPWSA-N	2	0	299.459	1.332	10	70		CDIERP
O=C([C@H]1[NH2+]CCc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000159875323	342370793	/nfs/dbraw/zinc/37/07/93/342370793.db2.gz	IYPAUFGXQBMTGX-LZWOXQAQSA-N	2	0	285.391	1.226	10	70		CDIERP
CCC[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C	ZINC000159540303	362236201	/nfs/dbraw/zinc/23/62/01/362236201.db2.gz	IKBHIVRNGQZDKR-RBSFLKMASA-N	2	0	299.459	1.332	10	70		CDIERP
CC[C@](C)(O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000161013636	281291797	/nfs/dbraw/zinc/29/17/97/281291797.db2.gz	SVCCHAUSCRFUNI-HOTGVXAUSA-N	2	0	283.460	1.249	10	70		CDIERP
CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[NH+](C)C	ZINC000159978821	361985689	/nfs/dbraw/zinc/98/56/89/361985689.db2.gz	FMFIDNHPGOGTTN-OLZOCXBDSA-N	2	0	257.422	1.563	10	70		CDIERP
C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468761	524946493	/nfs/dbraw/zinc/94/64/93/524946493.db2.gz	FKAADFCECAUUST-SJORKVTESA-N	2	0	295.471	1.515	10	70		CDIERP
C[C@@H]([NH2+]CCCN1CCCC1=O)C1CC[NH+](C)CC1	ZINC000159582253	539114437	/nfs/dbraw/zinc/11/44/37/539114437.db2.gz	CAWIOQOGJXNCMP-CYBMUJFWSA-N	2	0	267.417	1.319	10	70		CDIERP
CCC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)[NH+](C)C	ZINC000161075652	362565209	/nfs/dbraw/zinc/56/52/09/362565209.db2.gz	OTTLOIOZOHTICG-AWEZNQCLSA-N	2	0	269.433	1.706	10	70		CDIERP
c1ncn(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000161360793	526616216	/nfs/dbraw/zinc/61/62/16/526616216.db2.gz	FXPZTNRKCOPOEA-INIZCTEOSA-N	2	0	291.443	1.866	10	70		CDIERP
CC[C@@H](O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380253	280207272	/nfs/dbraw/zinc/20/72/72/280207272.db2.gz	UHNCKEVOLVAIMS-MRXNPFEDSA-N	2	0	283.460	1.251	10	70		CDIERP
NC(=O)C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000160905352	362540137	/nfs/dbraw/zinc/54/01/37/362540137.db2.gz	BVKRQVCBSKXHLL-AWEZNQCLSA-N	2	0	267.417	1.592	10	70		CDIERP
CC[NH+](CC)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161385828	377614257	/nfs/dbraw/zinc/61/42/57/377614257.db2.gz	TZXDWLJWZVSQMP-STQMWFEESA-N	2	0	255.406	1.173	10	70		CDIERP
[NH3+][C@@H]1CC[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)C1	ZINC000159765317	139906080	/nfs/dbraw/zinc/90/60/80/139906080.db2.gz	XTMIRWCMMWXCBH-QWHCGFSZSA-N	2	0	265.401	1.104	10	70		CDIERP
NC(=O)C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000160905175	362539773	/nfs/dbraw/zinc/53/97/73/362539773.db2.gz	BVKRQVCBSKXHLL-CQSZACIVSA-N	2	0	267.417	1.592	10	70		CDIERP
C[C@@H](O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1	ZINC000161355597	525746562	/nfs/dbraw/zinc/74/65/62/525746562.db2.gz	GGNKMNOZBWVJSO-CQSZACIVSA-N	2	0	254.418	1.955	10	70		CDIERP
C[C@H]1C[C@H]([NH2+]CCCN2CCCC2=O)CC[N@@H+]1C	ZINC000159472381	361709910	/nfs/dbraw/zinc/70/99/10/361709910.db2.gz	YXUBUMYJFSWJQS-QWHCGFSZSA-N	2	0	253.390	1.071	10	70		CDIERP
CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000161269678	391580521	/nfs/dbraw/zinc/58/05/21/391580521.db2.gz	KQLVYUAAYILVLR-ZDUSSCGKSA-N	2	0	269.433	1.742	10	70		CDIERP
CC[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O	ZINC000161342417	281166936	/nfs/dbraw/zinc/16/69/36/281166936.db2.gz	JKPFHZXQOSNHIA-SJORKVTESA-N	2	0	297.487	1.639	10	70		CDIERP
CC[C@@H](CO)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380501	522555110	/nfs/dbraw/zinc/55/51/10/522555110.db2.gz	XWQNVAFEHPBFDO-INIZCTEOSA-N	2	0	283.460	1.251	10	70		CDIERP
C[C@H]([NH2+]CCCN1CCCC1=O)C1CC[NH+](C)CC1	ZINC000159582081	539114469	/nfs/dbraw/zinc/11/44/69/539114469.db2.gz	CAWIOQOGJXNCMP-ZDUSSCGKSA-N	2	0	267.417	1.319	10	70		CDIERP
CCC[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+](C)C	ZINC000161469492	377665882	/nfs/dbraw/zinc/66/58/82/377665882.db2.gz	JRDDNNJDIUPART-OAHLLOKOSA-N	2	0	281.444	1.804	10	70		CDIERP
CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C	ZINC000161347630	276362313	/nfs/dbraw/zinc/36/23/13/276362313.db2.gz	IXSLEUWUYDQAPY-RRFJBIMHSA-N	2	0	281.444	1.706	10	70		CDIERP
C[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1	ZINC000161376060	377591357	/nfs/dbraw/zinc/59/13/57/377591357.db2.gz	VYGAZNKUWBZYGK-YFVFXCHESA-N	2	0	293.455	1.754	10	70		CDIERP
O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000217901052	295620428	/nfs/dbraw/zinc/62/04/28/295620428.db2.gz	SJBNIHQHVQUCJL-RCBQFDQVSA-N	2	0	291.439	1.650	10	70		CDIERP
[NH3+][C@@H](CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1	ZINC000160375234	363836858	/nfs/dbraw/zinc/83/68/58/363836858.db2.gz	SOZLHYPBPOEORA-XHSDSOJGSA-N	2	0	287.407	1.820	10	70		CDIERP
CCC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)[NH+](C)C	ZINC000159979192	361987178	/nfs/dbraw/zinc/98/71/78/361987178.db2.gz	FMFIDNHPGOGTTN-QWHCGFSZSA-N	2	0	257.422	1.563	10	70		CDIERP
CC[C@@](C)(O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000161354277	529509272	/nfs/dbraw/zinc/50/92/72/529509272.db2.gz	NEBOQDQXSYSCDQ-MRXNPFEDSA-N	2	0	284.444	1.724	10	70		CDIERP
CCC[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+](C)C	ZINC000161469404	377665248	/nfs/dbraw/zinc/66/52/48/377665248.db2.gz	JRDDNNJDIUPART-HNNXBMFYSA-N	2	0	281.444	1.804	10	70		CDIERP
CC[C@H](CO)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380633	522207959	/nfs/dbraw/zinc/20/79/59/522207959.db2.gz	XWQNVAFEHPBFDO-MRXNPFEDSA-N	2	0	283.460	1.251	10	70		CDIERP
CC[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O	ZINC000161342296	391589493	/nfs/dbraw/zinc/58/94/93/391589493.db2.gz	JKPFHZXQOSNHIA-IAGOWNOFSA-N	2	0	297.487	1.639	10	70		CDIERP
C[C@@H](O)C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C	ZINC000161342110	287095187	/nfs/dbraw/zinc/09/51/87/287095187.db2.gz	QNHAATQFHGABLE-JKSUJKDBSA-N	2	0	283.460	1.249	10	70		CDIERP
C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCCC1	ZINC000161014748	292797958	/nfs/dbraw/zinc/79/79/58/292797958.db2.gz	KCINDOPIAKLRFV-UKRRQHHQSA-N	2	0	275.396	1.157	10	70		CDIERP
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000217186330	284052208	/nfs/dbraw/zinc/05/22/08/284052208.db2.gz	KHROXDQOEUOZJL-NEBZKDRISA-N	2	0	277.412	1.260	10	70		CDIERP
CC[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCOC	ZINC000161343250	523275805	/nfs/dbraw/zinc/27/58/05/523275805.db2.gz	UDRQWZWYQUKAFH-KRWDZBQOSA-N	2	0	297.487	1.905	10	70		CDIERP
O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000217901128	367259846	/nfs/dbraw/zinc/25/98/46/367259846.db2.gz	SJBNIHQHVQUCJL-KCXAZCMYSA-N	2	0	291.439	1.650	10	70		CDIERP
CCC[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C	ZINC000159540061	362236263	/nfs/dbraw/zinc/23/62/63/362236263.db2.gz	IKBHIVRNGQZDKR-QLFBSQMISA-N	2	0	299.459	1.332	10	70		CDIERP
CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@H](C)C1	ZINC000160507755	364365035	/nfs/dbraw/zinc/36/50/35/364365035.db2.gz	ATBNIXWIJKLRSP-QPSCCSFWSA-N	2	0	254.418	1.857	10	70		CDIERP
CCC[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+](C)C	ZINC000161366908	377601862	/nfs/dbraw/zinc/60/18/62/377601862.db2.gz	OXDRNJZBZZTAOB-AWEZNQCLSA-N	2	0	267.417	1.460	10	70		CDIERP
CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000217183722	370416972	/nfs/dbraw/zinc/41/69/72/370416972.db2.gz	RSJSLXSUQLFPLP-DLBZAZTESA-N	2	0	298.471	1.972	10	70		CDIERP
CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C	ZINC000161251425	391586371	/nfs/dbraw/zinc/58/63/71/391586371.db2.gz	YWQQECGFOICJRQ-OLZOCXBDSA-N	2	0	255.406	1.172	10	70		CDIERP
COCC[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1C	ZINC000161342831	523853348	/nfs/dbraw/zinc/85/33/48/523853348.db2.gz	FLPCDUCKNDSFRO-MRXNPFEDSA-N	2	0	283.460	1.515	10	70		CDIERP
[NH3+]CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000160144055	377051317	/nfs/dbraw/zinc/05/13/17/377051317.db2.gz	BCBFNZMXIXHDLQ-AWEZNQCLSA-N	2	0	293.386	1.503	10	70		CDIERP
CC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217026140	345141779	/nfs/dbraw/zinc/14/17/79/345141779.db2.gz	FOTNEYRVDPMQCH-MJBXVCDLSA-N	2	0	267.417	1.365	10	70		CDIERP
CCC[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+](C)C	ZINC000159902539	363436611	/nfs/dbraw/zinc/43/66/11/363436611.db2.gz	YHVSCKMICRGGSG-UONOGXRCSA-N	2	0	269.433	1.707	10	70		CDIERP
C[C@@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1	ZINC000217548717	140162735	/nfs/dbraw/zinc/16/27/35/140162735.db2.gz	YEWXHDJBFHPRSL-OLZOCXBDSA-N	2	0	293.386	1.674	10	70		CDIERP
CC(=O)NC1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1	ZINC000161298376	519645291	/nfs/dbraw/zinc/64/52/91/519645291.db2.gz	ZSXPEBKVXCGQJN-UHFFFAOYSA-N	2	0	297.443	1.136	10	70		CDIERP
CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1	ZINC000217921554	535574853	/nfs/dbraw/zinc/57/48/53/535574853.db2.gz	GNQPGEJXTKWFNX-LSDHHAIUSA-N	2	0	275.396	1.677	10	70		CDIERP
[NH3+][C@H]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000159747598	361823832	/nfs/dbraw/zinc/82/38/32/361823832.db2.gz	NAZRQXKPEMIBRT-KGLIPLIRSA-N	2	0	265.401	1.104	10	70		CDIERP
[NH3+][C@@H]1CC[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)C1	ZINC000159765221	361838696	/nfs/dbraw/zinc/83/86/96/361838696.db2.gz	XTMIRWCMMWXCBH-CHWSQXEVSA-N	2	0	265.401	1.104	10	70		CDIERP
C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1	ZINC000161339015	524341738	/nfs/dbraw/zinc/34/17/38/524341738.db2.gz	UHIRGANQBAJPGI-NTQSIJHJSA-N	2	0	293.455	1.754	10	70		CDIERP
C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468883	524588562	/nfs/dbraw/zinc/58/85/62/524588562.db2.gz	FKAADFCECAUUST-IRXDYDNUSA-N	2	0	295.471	1.515	10	70		CDIERP
CCC[C@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+](C)C	ZINC000159902803	363436736	/nfs/dbraw/zinc/43/67/36/363436736.db2.gz	YHVSCKMICRGGSG-ZIAGYGMSSA-N	2	0	269.433	1.707	10	70		CDIERP
[NH3+][C@H]1CC[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)C1	ZINC000159765132	139905432	/nfs/dbraw/zinc/90/54/32/139905432.db2.gz	XTMIRWCMMWXCBH-STQMWFEESA-N	2	0	265.401	1.104	10	70		CDIERP
CC(C)[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1	ZINC000161120164	519695793	/nfs/dbraw/zinc/69/57/93/519695793.db2.gz	MZRIQMJBPBDLCB-HOCLYGCPSA-N	2	0	295.471	1.952	10	70		CDIERP
[NH3+][C@H](CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1	ZINC000160375108	363836996	/nfs/dbraw/zinc/83/69/96/363836996.db2.gz	SOZLHYPBPOEORA-OWCLPIDISA-N	2	0	287.407	1.820	10	70		CDIERP
CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1	ZINC000159877688	277167551	/nfs/dbraw/zinc/16/75/51/277167551.db2.gz	VNBMYBAGEHDJRS-MELADBBJSA-N	2	0	281.444	1.802	10	70		CDIERP
CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161385702	377614053	/nfs/dbraw/zinc/61/40/53/377614053.db2.gz	TZXDWLJWZVSQMP-QWHCGFSZSA-N	2	0	255.406	1.173	10	70		CDIERP
O=C(CCC1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160397965	279748998	/nfs/dbraw/zinc/74/89/98/279748998.db2.gz	ZFFMEQQXQNJYFI-OKILXGFUSA-N	2	0	265.401	1.119	10	70		CDIERP
[NH3+]CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000160144204	377050447	/nfs/dbraw/zinc/05/04/47/377050447.db2.gz	BCBFNZMXIXHDLQ-CQSZACIVSA-N	2	0	293.386	1.503	10	70		CDIERP
CCC[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+](C)C	ZINC000159902669	363436646	/nfs/dbraw/zinc/43/66/46/363436646.db2.gz	YHVSCKMICRGGSG-KGLIPLIRSA-N	2	0	269.433	1.707	10	70		CDIERP